| 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 | 49.5 | Very low | 69.2 | Low | 174 Ų | 174 | 121.5 Ų | 121.5 | 86% | 0.857 | 62% | 0.615 | S | S | * | * | 0 | -30.9 | 0 | -88.1 | -171.3 | 165.1 | 0 | 0 | 112.8 | D3 F10 | M1-D3 VanDerWaalsContact C-N 3.32Å; M1-D3 PolarHBondContact O-N 2.87Å; M1-F10 HydrophobicContact CE-CE1 4.36Å | |||
| 2 | T | 47.6 | Very low | 69.9 | Low | 137 Ų | 137 | 121.3 Ų | 121.3 | 84% | 0.84 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.8 | -9 | -178.5 | 47.3 | 0 | 0 | 0 | 0 | 115.8 | ||
| 3 | D | 59.2 | Low | 70.7 | Confident | 142 Ų | 142 | 117.2 Ų | 117.2 | 76% | 0.759 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.4 | 4.4 | -176.1 | -61.1 | -15.8 | 0 | 0 | 0 | 113.4 | M1 | M1-D3 VanDerWaalsContact C-N 3.32Å; M1-D3 PolarHBondContact O-N 2.87Å |
| 4 | F | 74.9 | Confident | 70.8 | Confident | 57 Ų | 57 | 110.6 Ų | 110.6 | 25% | 0.25 | 55% | 0.554 | C | S | . | * | trans | -115.1 | 126 | 179.6 | -61.8 | -82.2 | 0 | 0 | 0 | 109.2 | E9 F10 F13 | F4-E9 HydrophobicContact CD1-CG 4.37Å; F4-F10 HydrophobicContact CB-CB 4.29Å; F4-F10 HydrophobicContact CD1-CB 4.49Å; F4-F10 HydrophobicContact CD2-CB 4.43Å; F4-F10 AromaticContact CD2-CD2 3.7Å; F4-F10 HydrophobicContact CD2-CD2 3.7Å; F4-F10 HydrophobicContact CD2-CG 4.49Å; F4-F10 AromaticContact CE2-CD2 3.71Å; F4-F10 HydrophobicContact CE2-CD2 3.71Å; F4-F10 HydrophobicContact CE2-CE2 4.26Å; F4-F10 HydrophobicContact CG-CB 4.15Å; F4-F10 HydrophobicContact CG-CD2 4.24Å; F4-F10 HydrophobicContact CZ-CD2 4.26Å; F4-F13 HydrophobicContact CE1-CB 3.79Å; F4-F13 HydrophobicContact CE1-CD1 4.22Å; F4-F13 HydrophobicContact CE1-CD2 4.06Å; F4-F13 AromaticContact CE1-CG 3.76Å; F4-F13 HydrophobicContact CE1-CG 3.76Å; F4-F13 HydrophobicContact CE2-CD1 4.4Å; F4-F13 HydrophobicContact CZ-CB 4.07Å; F4-F13 AromaticContact CZ-CD1 3.6Å; F4-F13 HydrophobicContact CZ-CD1 3.6Å; F4-F13 AromaticContact CZ-CD2 3.95Å; F4-F13 HydrophobicContact CZ-CD2 3.95Å; F4-F13 AromaticContact CZ-CE1 3.96Å; F4-F13 HydrophobicContact CZ-CE1 3.96Å; F4-F13 HydrophobicContact CZ-CE2 4.28Å; F4-F13 AromaticContact CZ-CG 3.59Å; F4-F13 HydrophobicContact CZ-CG 3.59Å; F4-F13 HydrophobicContact CZ-CZ 4.28Å | ||
| 5 | D | 70.9 | Confident | 71.1 | Confident | 169 Ų | 169 | 109.3 Ų | 109.3 | 90% | 0.904 | 55% | 0.549 | S | S | * | . | S | Bend | trans | -83.2 | -13 | -176.7 | -78.4 | -26.9 | 0 | 0 | 0 | 112.7 | ||
| 6 | D | 76.3 | Confident | 71.6 | Confident | 90 Ų | 90 | 110.7 Ų | 110.7 | 48% | 0.481 | 55% | 0.553 | S | S | . | * | S | Bend | trans | -145 | 144.2 | 178.9 | -169.4 | -9.5 | 0 | 0 | 0 | 112 | K8 E9 F10 | D6-K8 PolarHBondContact O-N 3.03Å; D6-K8 PolarHBondContact OD1-N 3.38Å; D6-E9 HydrophobicContact CB-CB 4.49Å; D6-E9 WeakPolarHBondContact O-CB 3.2Å; D6-E9 PolarHBondContact O-N 3.21Å; D6-E9 VanDerWaalsContact O-N 3.1Å; D6-F10 PolarHBondContact O-N 3.37Å |
| 7 | D | 76.7 | Confident | 72.1 | Confident | 130 Ų | 130 | 109.2 Ų | 109.2 | 70% | 0.695 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -57.7 | -33.6 | 175.3 | -74.1 | -27.2 | 0 | 0 | 0 | 111.8 | F10 E11 | D7-F10 PolarHBondContact O-N 3Å; D7-E11 PolarHBondContact O-N 3.28Å |
| 8 | K | 75.3 | Confident | 71.8 | Confident | 155 Ų | 155 | 110.2 Ų | 110.2 | 67% | 0.674 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -67.1 | -36.1 | 177 | -72.1 | -174.8 | 179.4 | 177.6 | 0 | 113 | D6 F10 E11 Q12 | D6-K8 PolarHBondContact O-N 3.03Å; D6-K8 PolarHBondContact OD1-N 3.38Å; K8-F10 VanDerWaalsContact C-N 3.34Å; K8-E11 PolarHBondContact O-N 3.41Å; K8-Q12 WeakPolarHBondContact O-CB 3.34Å; K8-Q12 PolarHBondContact O-N 3.14Å |
| 9 | E | 76.5 | Confident | 71.3 | Confident | 106 Ų | 106 | 113.1 Ų | 113.1 | 50% | 0.495 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -69.5 | -38.2 | 179.1 | -158.7 | 174.9 | -153.6 | 0 | 0 | 110.1 | F4 D6 Q12 F13 | F4-E9 HydrophobicContact CD1-CG 4.37Å; D6-E9 HydrophobicContact CB-CB 4.49Å; D6-E9 WeakPolarHBondContact O-CB 3.2Å; D6-E9 PolarHBondContact O-N 3.21Å; D6-E9 VanDerWaalsContact O-N 3.1Å; E9-Q12 PolarHBondContact O-N 3.01Å; E9-F13 WeakPolarHBondContact O-CB 3.37Å; E9-F13 PolarHBondContact O-N 3.45Å |
| 10 | F | 78.7 | Confident | 70.7 | Confident | 48 Ų | 48 | 111.1 Ų | 111.1 | 21% | 0.211 | 55% | 0.55 | C | S | . | . | H | α-helix | trans | -66.1 | -43 | 172.1 | -178 | -111.9 | 0 | 0 | 0 | 113 | M1 F4 D6 D7 K8 Q12 F13 L14 | M1-F10 HydrophobicContact CE-CE1 4.36Å; F4-F10 HydrophobicContact CB-CB 4.29Å; F4-F10 HydrophobicContact CD1-CB 4.49Å; F4-F10 HydrophobicContact CD2-CB 4.43Å; F4-F10 AromaticContact CD2-CD2 3.7Å; F4-F10 HydrophobicContact CD2-CD2 3.7Å; F4-F10 HydrophobicContact CD2-CG 4.49Å; F4-F10 AromaticContact CE2-CD2 3.71Å; F4-F10 HydrophobicContact CE2-CD2 3.71Å; F4-F10 HydrophobicContact CE2-CE2 4.26Å; F4-F10 HydrophobicContact CG-CB 4.15Å; F4-F10 HydrophobicContact CG-CD2 4.24Å; F4-F10 HydrophobicContact CZ-CD2 4.26Å; D6-F10 PolarHBondContact O-N 3.37Å; D7-F10 PolarHBondContact O-N 3Å; K8-F10 VanDerWaalsContact C-N 3.34Å; F10-Q12 VanDerWaalsContact C-N 3.33Å; F10-Q12 PolarHBondContact O-N 3.36Å; F10-F13 PolarHBondContact O-N 3.01Å; F10-L14 HydrophobicContact CD1-CD1 3.96Å; F10-L14 HydrophobicContact CE1-CD1 3.39Å; F10-L14 HydrophobicContact CE1-CG 4.11Å; F10-L14 HydrophobicContact CE2-CD1 4.38Å; F10-L14 HydrophobicContact CE2-CG 4.23Å; F10-L14 HydrophobicContact CZ-CD1 3.64Å; F10-L14 HydrophobicContact CZ-CD2 4.23Å; F10-L14 HydrophobicContact CZ-CG 3.94Å; F10-L14 PolarHBondContact O-N 3.41Å |
| 11 | E | 75.9 | Confident | 70.2 | Confident | 129 Ų | 129 | 109.1 Ų | 109.1 | 60% | 0.603 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -61.7 | -41.2 | 174.5 | -85 | -165.1 | 158.4 | 0 | 0 | 112 | D7 K8 L14 N15 | D7-E11 PolarHBondContact O-N 3.28Å; K8-E11 PolarHBondContact O-N 3.41Å; E11-L14 PolarHBondContact O-N 3.26Å; E11-N15 WeakPolarHBondContact O-CB 3.18Å; E11-N15 VanDerWaalsContact O-CG 3.27Å; E11-N15 PolarHBondContact O-N 2.95Å; E11-N15 PolarHBondContact O-ND2 3.35Å |
| 12 | Q | 77.1 | Confident | 70.4 | Confident | 118 Ų | 118 | 108.6 Ų | 108.6 | 55% | 0.551 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -65.4 | -43.7 | 176.9 | -167.7 | 173.5 | -16.5 | 0 | 0 | 111.2 | K8 E9 F10 L14 N15 E16 | K8-Q12 WeakPolarHBondContact O-CB 3.34Å; K8-Q12 PolarHBondContact O-N 3.14Å; E9-Q12 PolarHBondContact O-N 3.01Å; F10-Q12 VanDerWaalsContact C-N 3.33Å; F10-Q12 PolarHBondContact O-N 3.36Å; Q12-L14 PolarHBondContact O-N 3.3Å; Q12-N15 PolarHBondContact O-N 2.82Å; Q12-N15 VanDerWaalsContact O-N 3.15Å; Q12-E16 PolarHBondContact NE2-OE1 2.75Å; Q12-E16 WeakPolarHBondContact O-CG 3.21Å; Q12-E16 PolarHBondContact O-N 2.94Å |
| 13 | F | 80.3 | Confident | 70.5 | Confident | 68 Ų | 68 | 108.7 Ų | 108.7 | 30% | 0.298 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -59.1 | -43.2 | 174.1 | 177.3 | -96.2 | 0 | 0 | 0 | 112.7 | F4 E9 F10 E16 H17 L20 | F4-F13 HydrophobicContact CE1-CB 3.79Å; F4-F13 HydrophobicContact CE1-CD1 4.22Å; F4-F13 HydrophobicContact CE1-CD2 4.06Å; F4-F13 AromaticContact CE1-CG 3.76Å; F4-F13 HydrophobicContact CE1-CG 3.76Å; F4-F13 HydrophobicContact CE2-CD1 4.4Å; F4-F13 HydrophobicContact CZ-CB 4.07Å; F4-F13 AromaticContact CZ-CD1 3.6Å; F4-F13 HydrophobicContact CZ-CD1 3.6Å; F4-F13 AromaticContact CZ-CD2 3.95Å; F4-F13 HydrophobicContact CZ-CD2 3.95Å; F4-F13 AromaticContact CZ-CE1 3.96Å; F4-F13 HydrophobicContact CZ-CE1 3.96Å; F4-F13 HydrophobicContact CZ-CE2 4.28Å; F4-F13 AromaticContact CZ-CG 3.59Å; F4-F13 HydrophobicContact CZ-CG 3.59Å; F4-F13 HydrophobicContact CZ-CZ 4.28Å; E9-F13 WeakPolarHBondContact O-CB 3.37Å; E9-F13 PolarHBondContact O-N 3.45Å; F10-F13 PolarHBondContact O-N 3.01Å; F13-E16 PolarHBondContact O-N 2.93Å; F13-H17 AromaticContact CD2-CD2 3.65Å; F13-H17 AromaticContact CD2-NE2 3.91Å; F13-H17 AromaticContact CE1-CD2 3.82Å; F13-H17 AromaticContact CE2-CD2 3.26Å; F13-H17 WeakPolarHBondContact CE2-CD2 3.37Å; F13-H17 AromaticContact CE2-NE2 3.29Å; F13-H17 VanDerWaalsContact CE2-NE2 3.29Å; F13-H17 WeakPolarHBondContact CE2-NE2 3.45Å; F13-H17 AromaticContact CZ-CD2 3.36Å; F13-H17 WeakPolarHBondContact CZ-CD2 3.45Å; F13-H17 AromaticContact CZ-NE2 3.69Å; F13-H17 PolarHBondContact O-CD2 3.21Å; F13-H17 PolarHBondContact O-N 3.16Å; F13-L20 HydrophobicContact CE1-CD1 3.87Å; F13-L20 HydrophobicContact CZ-CD1 4.17Å |
| 14 | L | 72.8 | Confident | 69.9 | Low | 25 Ų | 25 | 104.7 Ų | 104.7 | 13% | 0.131 | 50% | 0.502 | C | S | . | . | H | α-helix | trans | -63.2 | -41.4 | 174.2 | -78.3 | 176.2 | 0 | 0 | 0 | 111.7 | F10 E11 Q12 E16 H17 L20 K21 C24 | F10-L14 HydrophobicContact CD1-CD1 3.96Å; F10-L14 HydrophobicContact CE1-CD1 3.39Å; F10-L14 HydrophobicContact CE1-CG 4.11Å; F10-L14 HydrophobicContact CE2-CD1 4.38Å; F10-L14 HydrophobicContact CE2-CG 4.23Å; F10-L14 HydrophobicContact CZ-CD1 3.64Å; F10-L14 HydrophobicContact CZ-CD2 4.23Å; F10-L14 HydrophobicContact CZ-CG 3.94Å; F10-L14 PolarHBondContact O-N 3.41Å; E11-L14 PolarHBondContact O-N 3.26Å; Q12-L14 PolarHBondContact O-N 3.3Å; L14-E16 VanDerWaalsContact C-N 3.28Å; L14-E16 PolarHBondContact O-N 3.46Å; L14-H17 CarbonylContact O-C 3.56Å; L14-H17 VanDerWaalsContact O-C 3.32Å; L14-H17 PolarHBondContact O-N 3.21Å; L14-L20 HydrophobicContact CD2-CB 4.15Å; L14-K21 WeakPolarHBondContact O-CB 3.3Å; L14-C24 HydrophobicContact CD2-CB 4.48Å |
| 15 | N | 74.8 | Confident | 68.4 | Low | 92 Ų | 92 | 106.5 Ų | 106.5 | 49% | 0.492 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66 | -29.9 | 177.4 | -73.5 | -38.5 | 0 | 0 | 0 | 112.9 | E11 Q12 K21 | E11-N15 WeakPolarHBondContact O-CB 3.18Å; E11-N15 VanDerWaalsContact O-CG 3.27Å; E11-N15 PolarHBondContact O-N 2.95Å; E11-N15 PolarHBondContact O-ND2 3.35Å; Q12-N15 PolarHBondContact O-N 2.82Å; Q12-N15 VanDerWaalsContact O-N 3.15Å; N15-K21 PolarHBondContact OD1-NZ 2.77Å |
| 16 | E | 79.8 | Confident | 67.3 | Low | 131 Ų | 131 | 102.8 Ų | 102.8 | 61% | 0.612 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -77.6 | -24.4 | 174.7 | -71.2 | 175.3 | -170 | 0 | 0 | 112.7 | Q12 F13 L14 | Q12-E16 PolarHBondContact NE2-OE1 2.75Å; Q12-E16 WeakPolarHBondContact O-CG 3.21Å; Q12-E16 PolarHBondContact O-N 2.94Å; F13-E16 PolarHBondContact O-N 2.93Å; L14-E16 VanDerWaalsContact C-N 3.28Å; L14-E16 PolarHBondContact O-N 3.46Å |
| 17 | H | 79.3 | Confident | 65.4 | Low | 85 Ų | 85 | 100.6 Ų | 100.6 | 39% | 0.394 | 51% | 0.506 | S | S | . | . | trans | -112.2 | 80.8 | 177.4 | -68.2 | -60.7 | 0 | 0 | 0 | 112.6 | F13 L14 E19 L20 K21 | F13-H17 AromaticContact CD2-CD2 3.65Å; F13-H17 AromaticContact CD2-NE2 3.91Å; F13-H17 AromaticContact CE1-CD2 3.82Å; F13-H17 AromaticContact CE2-CD2 3.26Å; F13-H17 WeakPolarHBondContact CE2-CD2 3.37Å; F13-H17 AromaticContact CE2-NE2 3.29Å; F13-H17 VanDerWaalsContact CE2-NE2 3.29Å; F13-H17 WeakPolarHBondContact CE2-NE2 3.45Å; F13-H17 AromaticContact CZ-CD2 3.36Å; F13-H17 WeakPolarHBondContact CZ-CD2 3.45Å; F13-H17 AromaticContact CZ-NE2 3.69Å; F13-H17 PolarHBondContact O-CD2 3.21Å; F13-H17 PolarHBondContact O-N 3.16Å; L14-H17 CarbonylContact O-C 3.56Å; L14-H17 VanDerWaalsContact O-C 3.32Å; L14-H17 PolarHBondContact O-N 3.21Å; H17-E19 PolarHBondContact O-N 3.38Å; H17-E19 VanDerWaalsContact O-N 3.09Å; H17-L20 HydrophobicContact CB-CB 3.98Å; H17-L20 HydrophobicContact CB-CD1 3.86Å; H17-L20 HydrophobicContact CB-CG 4.43Å; H17-L20 PolarHBondContact O-N 3.15Å; H17-K21 PolarHBondContact O-N 3.24Å | ||
| 18 | E | 67.6 | Low | 63.7 | Low | 128 Ų | 128 | 98.9 Ų | 98.9 | 60% | 0.598 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -52.1 | -33.9 | -179.5 | -83.7 | -160.4 | 167.4 | 0 | 0 | 114.6 | R22 | E18-R22 WeakPolarHBondContact O-CB 3.49Å; E18-R22 WeakPolarHBondContact O-CG 3.48Å; E18-R22 PolarHBondContact O-N 3.46Å; E18-R22 IonicContact OE2-NH2 3.35Å |
| 19 | E | 61.1 | Low | 61.9 | Low | 164 Ų | 164 | 95.6 Ų | 95.6 | 77% | 0.766 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -68.8 | -42.7 | 177.2 | -72.9 | -171.1 | 158.8 | 0 | 0 | 112.3 | H17 R22 M23 | H17-E19 PolarHBondContact O-N 3.38Å; H17-E19 VanDerWaalsContact O-N 3.09Å; E19-R22 PolarHBondContact O-N 2.86Å; E19-M23 WeakPolarHBondContact O-CG 3.29Å; E19-M23 PolarHBondContact O-N 3.45Å |
| 20 | L | 60.1 | Low | 60.7 | Low | 73 Ų | 73 | 93 Ų | 93 | 38% | 0.382 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -66.2 | -40.7 | 174.5 | -86.8 | 159.5 | 0 | 0 | 0 | 110.9 | F13 L14 H17 M23 C24 | F13-L20 HydrophobicContact CE1-CD1 3.87Å; F13-L20 HydrophobicContact CZ-CD1 4.17Å; L14-L20 HydrophobicContact CD2-CB 4.15Å; H17-L20 HydrophobicContact CB-CB 3.98Å; H17-L20 HydrophobicContact CB-CD1 3.86Å; H17-L20 HydrophobicContact CB-CG 4.43Å; H17-L20 PolarHBondContact O-N 3.15Å; L20-M23 WeakPolarHBondContact O-CB 3.46Å; L20-M23 PolarHBondContact O-N 2.96Å; L20-M23 VanDerWaalsContact O-N 3.16Å; L20-C24 WeakPolarHBondContact O-CB 3.33Å; L20-C24 PolarHBondContact O-N 3.28Å |
| 21 | K | 59.3 | Low | 59.9 | Low | 70 Ų | 70 | 95.6 Ų | 95.6 | 30% | 0.304 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.6 | -43.1 | 172.7 | -175 | 171 | -179 | 177.3 | 0 | 111.9 | L14 N15 H17 M23 C24 D25 | L14-K21 WeakPolarHBondContact O-CB 3.3Å; N15-K21 PolarHBondContact OD1-NZ 2.77Å; H17-K21 PolarHBondContact O-N 3.24Å; K21-M23 VanDerWaalsContact C-N 3.31Å; K21-M23 PolarHBondContact O-N 3.42Å; K21-C24 CarbonylContact O-C 3.57Å; K21-C24 PolarHBondContact O-N 3.27Å; K21-C24 VanDerWaalsContact O-N 3.16Å; K21-D25 WeakPolarHBondContact CG-OD2 3.29Å; K21-D25 VanDerWaalsContact O-CB 3.23Å; K21-D25 WeakPolarHBondContact O-CB 3.49Å; K21-D25 PolarHBondContact O-N 3.19Å |
| 22 | R | 53.9 | Low | 59.8 | Low | 163 Ų | 163 | 93.6 Ų | 93.6 | 62% | 0.615 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -64.1 | -33.5 | 172.7 | -78 | -177.9 | -165.4 | 171.7 | 11.1 | 112.7 | E18 E19 A26 | E18-R22 WeakPolarHBondContact O-CB 3.49Å; E18-R22 WeakPolarHBondContact O-CG 3.48Å; E18-R22 PolarHBondContact O-N 3.46Å; E18-R22 IonicContact OE2-NH2 3.35Å; E19-R22 PolarHBondContact O-N 2.86Å; R22-A26 WeakPolarHBondContact O-CA 3.3Å; R22-A26 WeakPolarHBondContact O-CB 3.26Å; R22-A26 PolarHBondContact O-N 3.41Å |
| 23 | M | 50 | Low | 59.9 | Low | 139 Ų | 139 | 88.8 Ų | 88.8 | 69% | 0.685 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -68.1 | -39 | 172.3 | -71.3 | 177.4 | 65.6 | 0 | 0 | 111.7 | E19 L20 K21 G27 | E19-M23 WeakPolarHBondContact O-CG 3.29Å; E19-M23 PolarHBondContact O-N 3.45Å; L20-M23 WeakPolarHBondContact O-CB 3.46Å; L20-M23 PolarHBondContact O-N 2.96Å; L20-M23 VanDerWaalsContact O-N 3.16Å; K21-M23 VanDerWaalsContact C-N 3.31Å; K21-M23 PolarHBondContact O-N 3.42Å; M23-G27 PolarHBondContact O-N 3.07Å |
| 24 | C | 47.5 | Very low | 59.8 | Low | 59 Ų | 59 | 93.8 Ų | 93.8 | 40% | 0.399 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -72 | -29.5 | 173.4 | -75.7 | 0 | 0 | 0 | 0 | 113.8 | L14 L20 K21 G27 | L14-C24 HydrophobicContact CD2-CB 4.48Å; L20-C24 WeakPolarHBondContact O-CB 3.33Å; L20-C24 PolarHBondContact O-N 3.28Å; K21-C24 CarbonylContact O-C 3.57Å; K21-C24 PolarHBondContact O-N 3.27Å; K21-C24 VanDerWaalsContact O-N 3.16Å; C24-G27 CarbonylContact O-C 3.59Å |
| 25 | D | 43.1 | Very low | 60.4 | Low | 95 Ų | 95 | 100.4 Ų | 100.4 | 51% | 0.508 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -89.5 | -36.7 | -178.8 | -72.6 | -17.1 | 0 | 0 | 0 | 111.4 | K21 G27 V28 | K21-D25 WeakPolarHBondContact CG-OD2 3.29Å; K21-D25 VanDerWaalsContact O-CB 3.23Å; K21-D25 WeakPolarHBondContact O-CB 3.49Å; K21-D25 PolarHBondContact O-N 3.19Å; D25-G27 VanDerWaalsContact C-N 3.31Å; D25-V28 VanDerWaalsContact O-CG2 3.27Å; D25-V28 WeakPolarHBondContact O-CG2 3.36Å; D25-V28 PolarHBondContact O-N 3.45Å; D25-V28 VanDerWaalsContact O-N 3.07Å |
| 26 | A | 47.3 | Very low | 61.2 | Low | 91 Ų | 91 | 96.4 Ų | 96.4 | 75% | 0.752 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -70.5 | -34 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | R22 V28 | R22-A26 WeakPolarHBondContact O-CA 3.3Å; R22-A26 WeakPolarHBondContact O-CB 3.26Å; R22-A26 PolarHBondContact O-N 3.41Å; A26-V28 PolarHBondContact O-N 3.11Å |
| 27 | G | 37.3 | Very low | 61.5 | Low | 44 Ų | 44 | 91 Ų | 91 | 45% | 0.454 | 50% | 0.503 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | 58.1 | 158.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | M23 C24 D25 A29 | M23-G27 PolarHBondContact O-N 3.07Å; C24-G27 CarbonylContact O-C 3.59Å; D25-G27 VanDerWaalsContact C-N 3.31Å; G27-A29 VanDerWaalsContact C-N 3.33Å; G27-A29 PolarHBondContact O-N 3.22Å |
| 28 | V | 39.8 | Very low | 61.8 | Low | 94 Ų | 94 | 88.5 Ų | 88.5 | 57% | 0.57 | 50% | 0.495 | S | S | * | . | trans | -32.8 | 110.1 | 162.6 | 172.2 | 0 | 0 | 0 | 0 | 104.5 | D25 A26 C30 | D25-V28 VanDerWaalsContact O-CG2 3.27Å; D25-V28 WeakPolarHBondContact O-CG2 3.36Å; D25-V28 PolarHBondContact O-N 3.45Å; D25-V28 VanDerWaalsContact O-N 3.07Å; A26-V28 PolarHBondContact O-N 3.11Å; V28-C30 PolarHBondContact O-N 3.18Å | ||
| 29 | A | 38.7 | Very low | 62.7 | Low | 85 Ų | 85 | 87.8 Ų | 87.8 | 70% | 0.702 | 49% | 0.494 | S | S | * | . | trans | -59.9 | 90.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 103.3 | G27 S31 | G27-A29 VanDerWaalsContact C-N 3.33Å; G27-A29 PolarHBondContact O-N 3.22Å; A29-S31 PolarHBondContact O-N 3.41Å | ||
| 30 | C | 49.6 | Very low | 63.8 | Low | 53 Ų | 53 | 86.2 Ų | 86.2 | 36% | 0.358 | 49% | 0.49 | S | S | . | . | trans | -60.1 | 88.9 | 159.4 | -85.3 | 0 | 0 | 0 | 0 | 101.5 | V28 L32 | V28-C30 PolarHBondContact O-N 3.18Å; C30-L32 PolarHBondContact O-N 3.09Å; C30-L32 VanDerWaalsContact O-N 3.15Å | ||
| 31 | S | 62.7 | Low | 64.9 | Low | 102 Ų | 102 | 90.3 Ų | 90.3 | 71% | 0.713 | 51% | 0.507 | S | S | * | . | trans | -43.1 | 127.5 | 164.4 | 45.9 | 0 | 0 | 0 | 0 | 104.7 | A29 P33 | A29-S31 PolarHBondContact O-N 3.41Å; S31-P33 VanDerWaalsContact O-N 3.11Å | ||
| 32 | L | 73.5 | Confident | 66.2 | Low | 86 Ų | 86 | 88.2 Ų | 88.2 | 45% | 0.45 | 50% | 0.501 | S | S | . | . | trans | -47.1 | 127.9 | -178.6 | -75.6 | 164.3 | 0 | 0 | 0 | 107.8 | C30 E34 R51 Y54 A55 | C30-L32 PolarHBondContact O-N 3.09Å; C30-L32 VanDerWaalsContact O-N 3.15Å; L32-E34 PolarHBondContact O-N 3.06Å; L32-R51 HydrophobicContact CD1-CB 4.49Å; L32-R51 HydrophobicContact CD2-CB 4.48Å; L32-Y54 HydrophobicContact CD2-CD1 4.17Å; L32-A55 HydrophobicContact CD2-CB 4.1Å | ||
| 33 | P | 79.8 | Confident | 67.7 | Low | 17 Ų | 17 | 85.6 Ų | 85.6 | 11% | 0.11 | 49% | 0.492 | C | S | . | . | trans | -52.3 | 132.8 | -179.1 | -26.5 | 32.5 | 0 | 0 | 0 | 110.2 | S31 E35 F36 Y54 T83 | S31-P33 VanDerWaalsContact O-N 3.11Å; P33-E35 VanDerWaalsContact C-N 3.32Å; P33-F36 HydrophobicContact CB-CE1 4.21Å; P33-F36 HydrophobicContact CB-CZ 4.15Å; P33-F36 HydrophobicContact CG-CE1 4.32Å; P33-F36 HydrophobicContact CG-CZ 4.48Å; P33-F36 WeakPolarHBondContact O-CE2 3.41Å; P33-F36 WeakPolarHBondContact O-CZ 3.37Å; P33-Y54 HydrophobicContact CG-CD1 4.38Å; P33-Y54 HydrophobicContact CG-CD2 3.88Å; P33-Y54 HydrophobicContact CG-CE1 4.05Å; P33-Y54 HydrophobicContact CG-CE2 3.48Å; P33-Y54 VanDerWaalsContact CG-CE2 3.48Å; P33-Y54 HydrophobicContact CG-CG 4.31Å; P33-T83 HydrophobicContact CB-CG2 4.07Å; P33-T83 HydrophobicContact CG-CG2 3.96Å | ||
| 34 | E | 78.1 | Confident | 69.4 | Low | 174 Ų | 174 | 84.5 Ų | 84.5 | 81% | 0.813 | 49% | 0.485 | S | S | * | . | S | Bend | trans | -72.9 | -34.2 | 172.9 | -65.3 | -171.7 | 167.3 | 0 | 0 | 110.5 | L32 | L32-E34 PolarHBondContact O-N 3.06Š|
| 35 | E | 86.1 | Confident | 71.2 | Confident | 163 Ų | 163 | 84.2 Ų | 84.2 | 76% | 0.762 | 48% | 0.479 | S | S | * | . | trans | -116.6 | 134.9 | -179.3 | -63.2 | -174 | 169.9 | 0 | 0 | 112.1 | P33 | P33-E35 VanDerWaalsContact C-N 3.32Š| ||
| 36 | F | 90.6 | Very high | 73.4 | Confident | 8 Ų | 8 | 80.6 Ų | 80.6 | 4% | 0.035 | 46% | 0.459 | C | S | . | . | trans | -112.9 | 17.7 | -178.8 | -70.2 | -85.2 | 0 | 0 | 0 | 113.5 | P33 C38 M50 R51 Y54 C79 T83 Y237 | P33-F36 HydrophobicContact CB-CE1 4.21Å; P33-F36 HydrophobicContact CB-CZ 4.15Å; P33-F36 HydrophobicContact CG-CE1 4.32Å; P33-F36 HydrophobicContact CG-CZ 4.48Å; P33-F36 WeakPolarHBondContact O-CE2 3.41Å; P33-F36 WeakPolarHBondContact O-CZ 3.37Å; F36-C38 VanDerWaalsContact C-N 3.28Å; F36-C38 PolarHBondContact O-N 3.22Å; F36-M50 HydrophobicContact CB-CB 4.47Å; F36-M50 HydrophobicContact CB-CE 4.02Å; F36-M50 HydrophobicContact CB-SD 3.45Å; F36-M50 WeakPolarHBondContact CB-SD 3.36Å; F36-M50 HydrophobicContact CD1-CB 3.82Å; F36-M50 HydrophobicContact CD1-SD 4.47Å; F36-M50 HydrophobicContact CD2-CB 3.81Å; F36-M50 HydrophobicContact CD2-CE 3.98Å; F36-M50 HydrophobicContact CD2-SD 4.19Å; F36-M50 HydrophobicContact CE1-CB 3.92Å; F36-M50 HydrophobicContact CE2-CB 3.92Å; F36-M50 HydrophobicContact CG-CB 3.75Å; F36-M50 HydrophobicContact CG-CE 4.18Å; F36-M50 HydrophobicContact CG-CG 4.3Å; F36-M50 HydrophobicContact CG-SD 3.8Å; F36-M50 HydrophobicContact CZ-CB 3.97Å; F36-R51 HydrophobicContact CE2-CG 3.77Å; F36-R51 HydrophobicContact CZ-CB 4.43Å; F36-R51 HydrophobicContact CZ-CG 3.79Å; F36-Y54 HydrophobicContact CE1-CD2 4.15Å; F36-Y54 HydrophobicContact CE1-CG 4.32Å; F36-C79 HydrophobicContact CB-CB 4.08Å; F36-C79 WeakPolarHBondContact O-CB 3.18Å; F36-T83 VanDerWaalsContact CA-OG1 3.31Å; F36-T83 WeakPolarHBondContact CA-OG1 3.3Å; F36-T83 HydrophobicContact CD1-CG2 4.04Å; F36-T83 HydrophobicContact CE1-CG2 4.47Å; F36-T83 PolarHBondContact O-OG1 3.37Å; F36-Y237 WeakPolarHBondContact O-CE2 3.44Å | ||
| 37 | G | 86.8 | Confident | 75.4 | Confident | 19 Ų | 19 | 78.3 Ų | 78.3 | 20% | 0.196 | 43% | 0.432 | C | S | . | . | trans | 68.1 | 24.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | A236 | G37-A236 WeakPolarHBondContact O-CB 3.29Å; G37-A236 PolarHBondContact O-N 2.82Å | ||
| 38 | C | 86.2 | Confident | 77.9 | Confident | 32 Ų | 32 | 80.9 Ų | 80.9 | 22% | 0.216 | 43% | 0.434 | C | S | . | . | B | Isolated β-bridge | trans | -69.6 | 131.1 | 169.2 | -60.5 | 0 | 0 | 0 | 0 | 110 | F36 I40 P42 M50 C79 | F36-C38 VanDerWaalsContact C-N 3.28Å; F36-C38 PolarHBondContact O-N 3.22Å; C38-I40 VanDerWaalsContact C-N 3.27Å; C38-I40 VanDerWaalsContact CB-O 3.25Å; C38-I40 WeakPolarHBondContact CB-O 3.4Å; C38-P42 HydrophobicContact CB-CG 4.5Å; C38-M50 VanDerWaalsContact SG-SD 3.69Å; C38-C79 PolarHBondContact SG-SG 3.42Å |
| 39 | L | 86.2 | Confident | 80.5 | Confident | 113 Ų | 113 | 76.5 Ų | 76.5 | 59% | 0.592 | 41% | 0.407 | S | S | * | . | S | Bend | trans | -77.3 | -16.3 | 174.9 | -61.2 | -178.4 | 0 | 0 | 0 | 113.1 | K234 A236 | L39-K234 VanDerWaalsContact CD1-C 3.49Å; L39-K234 WeakPolarHBondContact CD1-O 3.47Å; L39-K234 WeakPolarHBondContact CG-O 3.49Å; L39-A236 HydrophobicContact CD2-CB 4.27Å |
| 40 | I | 83.4 | Confident | 83.1 | Confident | 130 Ų | 130 | 72.5 Ų | 72.5 | 67% | 0.667 | 37% | 0.374 | S | S | * | . | S | Bend | trans | -120.5 | 142.3 | 177.4 | -58.9 | 170.6 | 0 | 0 | 0 | 106.8 | C38 P42 | C38-I40 VanDerWaalsContact C-N 3.27Å; C38-I40 VanDerWaalsContact CB-O 3.25Å; C38-I40 WeakPolarHBondContact CB-O 3.4Å; I40-P42 WeakPolarHBondContact O-CD 3.27Å; I40-P42 VanDerWaalsContact O-N 3.16Å |
| 41 | E | 83.9 | Confident | 85.2 | Confident | 159 Ų | 159 | 73.9 Ų | 73.9 | 74% | 0.743 | 37% | 0.371 | S | S | * | . | P | Polyproline II helix | trans | -56.9 | 120 | 177.5 | -172.4 | 172.9 | -174.9 | 0 | 0 | 110.6 | ||
| 42 | P | 86.3 | Confident | 86.7 | Confident | 27 Ų | 27 | 70.1 Ų | 70.1 | 18% | 0.175 | 34% | 0.344 | C | S | . | . | P | Polyproline II helix | trans | -77.2 | 146.2 | -177.6 | 29.3 | -32.5 | 0 | 0 | 0 | 111.4 | C38 I40 Q46 K47 M50 | C38-P42 HydrophobicContact CB-CG 4.5Å; I40-P42 WeakPolarHBondContact O-CD 3.27Å; I40-P42 VanDerWaalsContact O-N 3.16Å; P42-Q46 HydrophobicContact CB-CB 3.94Å; P42-K47 HydrophobicContact CB-CG 4.19Å; P42-K47 HydrophobicContact CG-CD 4.42Å; P42-K47 HydrophobicContact CG-CG 3.74Å; P42-K47 WeakPolarHBondContact O-CE 3.4Å; P42-M50 HydrophobicContact CB-CE 3.81Å; P42-M50 HydrophobicContact CG-CE 3.95Å |
| 43 | Y | 85.1 | Confident | 87.7 | Confident | 108 Ų | 108 | 66 Ų | 66 | 42% | 0.424 | 32% | 0.323 | S | S | . | . | P | Polyproline II helix | trans | -62.1 | 156.7 | 169.1 | -57.7 | -59.9 | 0 | 0 | 0 | 111.2 | N45 Q46 K47 V592 | Y43-N45 PolarHBondContact O-N 2.95Å; Y43-Q46 HydrophobicContact CD2-CG 4.27Å; Y43-Q46 WeakPolarHBondContact O-CA 3.34Å; Y43-Q46 WeakPolarHBondContact O-CB 3.45Å; Y43-Q46 PolarHBondContact O-N 3.03Å; Y43-K47 PolarHBondContact O-N 3.47Å; Y43-V592 HydrophobicContact CD1-CG1 4.03Å; Y43-V592 HydrophobicContact CD2-CG1 4.11Å; Y43-V592 HydrophobicContact CD2-CG2 4.13Å; Y43-V592 HydrophobicContact CE1-CG1 4.07Å; Y43-V592 HydrophobicContact CE2-CG1 4.14Å; Y43-V592 HydrophobicContact CG-CG1 4.06Å; Y43-V592 HydrophobicContact CG-CG2 4.41Å |
| 44 | E | 84.9 | Confident | 88.5 | Confident | 116 Ų | 116 | 65.4 Ų | 65.4 | 54% | 0.542 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -56.6 | -38 | 177.1 | -68.6 | -53.2 | 126.5 | 0 | 0 | 112.8 | Q46 K47 M48 | E44-Q46 VanDerWaalsContact C-N 3.3Å; E44-Q46 PolarHBondContact O-N 3.43Å; E44-K47 PolarHBondContact O-N 3.3Å; E44-K47 WeakPolarHBondContact OE1-CD 3.22Å; E44-K47 WeakPolarHBondContact OE1-CE 3.27Å; E44-K47 IonicContact OE1-NZ 2.69Å; E44-K47 PolarHBondContact OE1-NZ 2.98Å; E44-M48 WeakPolarHBondContact O-CB 3.3Å; E44-M48 PolarHBondContact O-N 3.31Å |
| 45 | N | 85.8 | Confident | 89.2 | Confident | 53 Ų | 53 | 58.5 Ų | 58.5 | 28% | 0.283 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -64.6 | -34.5 | 175.2 | -64.9 | -4.7 | 0 | 0 | 0 | 112 | Y43 F49 C589 S590 | Y43-N45 PolarHBondContact O-N 2.95Å; N45-F49 VanDerWaalsContact O-CB 3.29Å; N45-F49 WeakPolarHBondContact O-CB 3.4Å; N45-F49 PolarHBondContact O-N 3.46Å; N45-C589 HydrophobicContact CB-CB 4.36Å; N45-S590 PolarHBondContact ND2-O 3.41Å |
| 46 | Q | 89.1 | Confident | 89.5 | Confident | 19 Ų | 19 | 50.8 Ų | 50.8 | 9% | 0.089 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -70.9 | -41.1 | 174.4 | -64.1 | 178 | -46.6 | 0 | 0 | 111 | P42 Y43 E44 F49 M50 T71 S76 | P42-Q46 HydrophobicContact CB-CB 3.94Å; Y43-Q46 HydrophobicContact CD2-CG 4.27Å; Y43-Q46 WeakPolarHBondContact O-CA 3.34Å; Y43-Q46 WeakPolarHBondContact O-CB 3.45Å; Y43-Q46 PolarHBondContact O-N 3.03Å; E44-Q46 VanDerWaalsContact C-N 3.3Å; E44-Q46 PolarHBondContact O-N 3.43Å; Q46-F49 WeakPolarHBondContact O-CB 3.33Å; Q46-F49 PolarHBondContact O-N 3.42Å; Q46-M50 HydrophobicContact CB-CE 4.44Å; Q46-M50 WeakPolarHBondContact O-CB 3.37Å; Q46-M50 WeakPolarHBondContact O-CE 3.46Å; Q46-M50 VanDerWaalsContact O-CG 3.29Å; Q46-M50 WeakPolarHBondContact O-CG 3.39Å; Q46-M50 PolarHBondContact O-N 2.93Å; Q46-T71 WeakPolarHBondContact CG-O 3.31Å; Q46-T71 PolarHBondContact NE2-O 2.83Å; Q46-S76 WeakPolarHBondContact CG-OG 3.21Å |
| 47 | K | 90.2 | Very high | 89.8 | Confident | 43 Ų | 43 | 50.4 Ų | 50.4 | 19% | 0.187 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -59.9 | -46.3 | 174.1 | -66.3 | 179.1 | -171.4 | 165.3 | 0 | 111 | P42 Y43 E44 F49 M50 R51 | P42-K47 HydrophobicContact CB-CG 4.19Å; P42-K47 HydrophobicContact CG-CD 4.42Å; P42-K47 HydrophobicContact CG-CG 3.74Å; P42-K47 WeakPolarHBondContact O-CE 3.4Å; Y43-K47 PolarHBondContact O-N 3.47Å; E44-K47 PolarHBondContact O-N 3.3Å; E44-K47 WeakPolarHBondContact OE1-CD 3.22Å; E44-K47 WeakPolarHBondContact OE1-CE 3.27Å; E44-K47 IonicContact OE1-NZ 2.69Å; E44-K47 PolarHBondContact OE1-NZ 2.98Å; K47-F49 PolarHBondContact O-N 3.25Å; K47-M50 PolarHBondContact O-N 3.27Å; K47-R51 WeakPolarHBondContact O-CB 3.42Å; K47-R51 VanDerWaalsContact O-CG 3.29Å; K47-R51 WeakPolarHBondContact O-CG 3.48Å; K47-R51 PolarHBondContact O-N 2.96Å |
| 48 | M | 90.2 | Very high | 90.1 | Very high | 98 Ų | 98 | 53.1 Ų | 53.1 | 48% | 0.483 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -59.7 | -45.6 | 175.4 | -175.2 | 63.5 | 81.4 | 0 | 0 | 111.6 | E44 R51 T52 L587 | E44-M48 WeakPolarHBondContact O-CB 3.3Å; E44-M48 PolarHBondContact O-N 3.31Å; M48-R51 PolarHBondContact O-N 2.78Å; M48-T52 WeakPolarHBondContact O-CB 3.19Å; M48-T52 PolarHBondContact O-N 3.06Å; M48-T52 PolarHBondContact O-OG1 3.38Å; M48-L587 HydrophobicContact CG-CD1 4.15Å |
| 49 | F | 92.6 | Very high | 90.4 | Very high | 1 Ų | 1 | 59 Ų | 59 | 0% | 0.004 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -58 | -50.5 | 176 | -172.8 | -77.2 | 0 | 0 | 0 | 111.7 | N45 Q46 K47 T52 L53 M65 S76 L77 L587 | N45-F49 VanDerWaalsContact O-CB 3.29Å; N45-F49 WeakPolarHBondContact O-CB 3.4Å; N45-F49 PolarHBondContact O-N 3.46Å; Q46-F49 WeakPolarHBondContact O-CB 3.33Å; Q46-F49 PolarHBondContact O-N 3.42Å; K47-F49 PolarHBondContact O-N 3.25Å; F49-T52 PolarHBondContact O-N 2.99Å; F49-L53 HydrophobicContact CE1-CD2 4.32Å; F49-L53 VanDerWaalsContact O-CB 3.29Å; F49-L53 WeakPolarHBondContact O-CB 3.23Å; F49-L53 PolarHBondContact O-N 2.86Å; F49-M65 HydrophobicContact CD1-CE 4.42Å; F49-M65 HydrophobicContact CD1-SD 4.27Å; F49-M65 HydrophobicContact CD2-CB 4.32Å; F49-M65 HydrophobicContact CD2-SD 4.18Å; F49-M65 HydrophobicContact CE1-CE 3.61Å; F49-M65 HydrophobicContact CE1-SD 3.97Å; F49-M65 HydrophobicContact CE2-CB 3.55Å; F49-M65 HydrophobicContact CE2-CE 4.15Å; F49-M65 HydrophobicContact CE2-CG 4.33Å; F49-M65 HydrophobicContact CE2-SD 3.9Å; F49-M65 HydrophobicContact CG-SD 4.37Å; F49-M65 HydrophobicContact CZ-CB 3.93Å; F49-M65 HydrophobicContact CZ-CE 3.45Å; F49-M65 VanDerWaalsContact CZ-CE 3.45Å; F49-M65 HydrophobicContact CZ-SD 3.78Å; F49-S76 VanDerWaalsContact CD1-CB 3.47Å; F49-L77 HydrophobicContact CE1-CD2 3.69Å; F49-L77 HydrophobicContact CE1-CG 3.79Å; F49-L77 HydrophobicContact CZ-CD2 3.67Å; F49-L77 HydrophobicContact CZ-CG 3.84Å; F49-L587 HydrophobicContact CB-CD2 4.27Å; F49-L587 HydrophobicContact CD2-CD2 4.24Å |
| 50 | M | 94.5 | Very high | 90.7 | Very high | 1 Ų | 1 | 54.3 Ų | 54.3 | 1% | 0.005 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -64.3 | -41.8 | -179 | -70.6 | -176.6 | -65 | 0 | 0 | 112.6 | F36 C38 P42 Q46 K47 L53 Y54 S76 C79 | F36-M50 HydrophobicContact CB-CB 4.47Å; F36-M50 HydrophobicContact CB-CE 4.02Å; F36-M50 HydrophobicContact CB-SD 3.45Å; F36-M50 WeakPolarHBondContact CB-SD 3.36Å; F36-M50 HydrophobicContact CD1-CB 3.82Å; F36-M50 HydrophobicContact CD1-SD 4.47Å; F36-M50 HydrophobicContact CD2-CB 3.81Å; F36-M50 HydrophobicContact CD2-CE 3.98Å; F36-M50 HydrophobicContact CD2-SD 4.19Å; F36-M50 HydrophobicContact CE1-CB 3.92Å; F36-M50 HydrophobicContact CE2-CB 3.92Å; F36-M50 HydrophobicContact CG-CB 3.75Å; F36-M50 HydrophobicContact CG-CE 4.18Å; F36-M50 HydrophobicContact CG-CG 4.3Å; F36-M50 HydrophobicContact CG-SD 3.8Å; F36-M50 HydrophobicContact CZ-CB 3.97Å; C38-M50 VanDerWaalsContact SG-SD 3.69Å; P42-M50 HydrophobicContact CB-CE 3.81Å; P42-M50 HydrophobicContact CG-CE 3.95Å; Q46-M50 HydrophobicContact CB-CE 4.44Å; Q46-M50 WeakPolarHBondContact O-CB 3.37Å; Q46-M50 WeakPolarHBondContact O-CE 3.46Å; Q46-M50 VanDerWaalsContact O-CG 3.29Å; Q46-M50 WeakPolarHBondContact O-CG 3.39Å; Q46-M50 PolarHBondContact O-N 2.93Å; K47-M50 PolarHBondContact O-N 3.27Å; M50-L53 PolarHBondContact O-N 3.01Å; M50-Y54 WeakPolarHBondContact O-CB 3.38Å; M50-Y54 PolarHBondContact O-N 2.82Å; M50-S76 WeakPolarHBondContact CG-O 3.47Å; M50-C79 HydrophobicContact SD-CB 3.51Å; M50-C79 VanDerWaalsContact SD-CB 3.51Å |
| 51 | R | 93.8 | Very high | 91.2 | Very high | 82 Ų | 82 | 49.5 Ų | 49.5 | 31% | 0.309 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -63.1 | -44.8 | 175.8 | -72.6 | 173.7 | -176.7 | 146.9 | -0.3 | 111.9 | L32 F36 K47 M48 Y54 A55 | L32-R51 HydrophobicContact CD1-CB 4.49Å; L32-R51 HydrophobicContact CD2-CB 4.48Å; F36-R51 HydrophobicContact CE2-CG 3.77Å; F36-R51 HydrophobicContact CZ-CB 4.43Å; F36-R51 HydrophobicContact CZ-CG 3.79Å; K47-R51 WeakPolarHBondContact O-CB 3.42Å; K47-R51 VanDerWaalsContact O-CG 3.29Å; K47-R51 WeakPolarHBondContact O-CG 3.48Å; K47-R51 PolarHBondContact O-N 2.96Å; M48-R51 PolarHBondContact O-N 2.78Å; R51-Y54 PolarHBondContact O-N 2.9Å; R51-A55 WeakPolarHBondContact O-CB 3.28Å; R51-A55 PolarHBondContact O-N 2.94Å |
| 52 | T | 93 | Very high | 91.7 | Very high | 24 Ų | 24 | 42 Ų | 42 | 15% | 0.147 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -66.3 | -42.4 | 179.2 | -55.1 | 0 | 0 | 0 | 0 | 111.4 | M48 F49 T56 T585 L587 | M48-T52 WeakPolarHBondContact O-CB 3.19Å; M48-T52 PolarHBondContact O-N 3.06Å; M48-T52 PolarHBondContact O-OG1 3.38Å; F49-T52 PolarHBondContact O-N 2.99Å; T52-T56 WeakPolarHBondContact O-CB 3.12Å; T52-T56 PolarHBondContact O-N 3.45Å; T52-T56 PolarHBondContact O-OG1 3.15Å; T52-T585 HydrophobicContact CG2-CG2 3.66Å; T52-L587 HydrophobicContact CG2-CB 4.24Å; T52-L587 HydrophobicContact CG2-CD2 4.17Å |
| 53 | L | 95.4 | Very high | 92.1 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -57.8 | -55.2 | 173.2 | 173.1 | 56.8 | 0 | 0 | 0 | 110.4 | F49 M50 A55 T56 L57 M65 L77 V557 | F49-L53 HydrophobicContact CE1-CD2 4.32Å; F49-L53 VanDerWaalsContact O-CB 3.29Å; F49-L53 WeakPolarHBondContact O-CB 3.23Å; F49-L53 PolarHBondContact O-N 2.86Å; M50-L53 PolarHBondContact O-N 3.01Å; L53-A55 VanDerWaalsContact C-N 3.35Å; L53-A55 PolarHBondContact O-N 3.32Å; L53-T56 WeakPolarHBondContact O-CB 3.5Å; L53-T56 PolarHBondContact O-N 2.91Å; L53-T56 VanDerWaalsContact O-N 3.07Å; L53-L57 HydrophobicContact CD1-CD1 3.92Å; L53-L57 HydrophobicContact CD1-CD2 4.08Å; L53-L57 HydrophobicContact CD1-CG 3.83Å; L53-L57 HydrophobicContact CG-CD1 4.2Å; L53-L57 HydrophobicContact CG-CG 4.41Å; L53-L57 WeakPolarHBondContact O-CG 3.34Å; L53-L57 PolarHBondContact O-N 2.75Å; L53-M65 HydrophobicContact CB-CE 3.84Å; L53-M65 HydrophobicContact CB-SD 4.03Å; L53-M65 HydrophobicContact CD1-CE 3.62Å; L53-M65 HydrophobicContact CD2-CE 4.2Å; L53-M65 HydrophobicContact CG-CE 4.08Å; L53-L77 HydrophobicContact CD2-CD2 4.24Å; L53-V557 HydrophobicContact CD1-CG1 4.24Å; L53-V557 HydrophobicContact CD1-CG2 3.69Å |
| 54 | Y | 95.7 | Very high | 92.6 | Very high | 4 Ų | 4 | 35.5 Ų | 35.5 | 2% | 0.016 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -55.5 | -48.2 | -179.9 | -173.7 | -80.3 | 0 | 0 | 0 | 112.1 | L32 P33 F36 M50 R51 T56 L57 L58 T83 W84 D87 | L32-Y54 HydrophobicContact CD2-CD1 4.17Å; P33-Y54 HydrophobicContact CG-CD1 4.38Å; P33-Y54 HydrophobicContact CG-CD2 3.88Å; P33-Y54 HydrophobicContact CG-CE1 4.05Å; P33-Y54 HydrophobicContact CG-CE2 3.48Å; P33-Y54 VanDerWaalsContact CG-CE2 3.48Å; P33-Y54 HydrophobicContact CG-CG 4.31Å; F36-Y54 HydrophobicContact CE1-CD2 4.15Å; F36-Y54 HydrophobicContact CE1-CG 4.32Å; M50-Y54 WeakPolarHBondContact O-CB 3.38Å; M50-Y54 PolarHBondContact O-N 2.82Å; R51-Y54 PolarHBondContact O-N 2.9Å; Y54-T56 VanDerWaalsContact C-N 3.28Å; Y54-T56 PolarHBondContact O-N 3.42Å; Y54-L57 PolarHBondContact O-N 3.05Å; Y54-L58 HydrophobicContact CE1-CD2 4.42Å; Y54-L58 WeakPolarHBondContact O-CB 3Å; Y54-L58 PolarHBondContact O-N 2.96Å; Y54-T83 HydrophobicContact CD2-CG2 4.35Å; Y54-T83 HydrophobicContact CE2-CG2 4.1Å; Y54-W84 HydrophobicContact CD2-CB 3.66Å; Y54-W84 VanDerWaalsContact CE2-CA 3.47Å; Y54-W84 HydrophobicContact CE2-CB 3.87Å; Y54-W84 HydrophobicContact CG-CB 4.46Å; Y54-D87 WeakPolarHBondContact CE2-OD2 3.24Å; Y54-D87 PolarHBondContact OH-OD2 2.71Å |
| 55 | A | 93.3 | Very high | 93 | Very high | 28 Ų | 28 | 30 Ų | 30 | 23% | 0.231 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -59.3 | -39.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | L32 R51 L53 K59 | L32-A55 HydrophobicContact CD2-CB 4.1Å; R51-A55 WeakPolarHBondContact O-CB 3.28Å; R51-A55 PolarHBondContact O-N 2.94Å; L53-A55 VanDerWaalsContact C-N 3.35Å; L53-A55 PolarHBondContact O-N 3.32Å; A55-K59 WeakPolarHBondContact O-CG 3.33Å; A55-K59 PolarHBondContact O-N 3.41Å |
| 56 | T | 93.6 | Very high | 93.2 | Very high | 2 Ų | 2 | 27.5 Ų | 27.5 | 1% | 0.012 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -67.7 | -45.3 | 178.1 | -56.4 | 0 | 0 | 0 | 0 | 111.1 | T52 L53 Y54 L58 K59 G60 N61 A63 | T52-T56 WeakPolarHBondContact O-CB 3.12Å; T52-T56 PolarHBondContact O-N 3.45Å; T52-T56 PolarHBondContact O-OG1 3.15Å; L53-T56 WeakPolarHBondContact O-CB 3.5Å; L53-T56 PolarHBondContact O-N 2.91Å; L53-T56 VanDerWaalsContact O-N 3.07Å; Y54-T56 VanDerWaalsContact C-N 3.28Å; Y54-T56 PolarHBondContact O-N 3.42Å; T56-L58 VanDerWaalsContact C-N 3.31Å; T56-L58 PolarHBondContact O-N 3.35Å; T56-K59 PolarHBondContact O-N 2.94Å; T56-G60 PolarHBondContact O-N 3.45Å; T56-N61 HydrophobicContact CG2-CB 3.8Å; T56-N61 PolarHBondContact O-N 3.26Å; T56-N61 VanDerWaalsContact O-N 3.13Å; T56-A63 HydrophobicContact CG2-CB 3.57Å |
| 57 | L | 95.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -64.2 | -37.5 | 177.9 | -62.1 | -173.4 | 0 | 0 | 0 | 111.9 | L53 Y54 G60 W84 V369 R554 A555 V557 | L53-L57 HydrophobicContact CD1-CD1 3.92Å; L53-L57 HydrophobicContact CD1-CD2 4.08Å; L53-L57 HydrophobicContact CD1-CG 3.83Å; L53-L57 HydrophobicContact CG-CD1 4.2Å; L53-L57 HydrophobicContact CG-CG 4.41Å; L53-L57 WeakPolarHBondContact O-CG 3.34Å; L53-L57 PolarHBondContact O-N 2.75Å; Y54-L57 PolarHBondContact O-N 3.05Å; L57-G60 PolarHBondContact O-N 2.96Å; L57-W84 HydrophobicContact CB-CB 4.44Å; L57-W84 HydrophobicContact CB-CD2 3.73Å; L57-W84 HydrophobicContact CB-CE3 4.42Å; L57-W84 HydrophobicContact CB-CG 3.67Å; L57-W84 HydrophobicContact CD1-CB 3.94Å; L57-W84 HydrophobicContact CD1-CD2 3.93Å; L57-W84 HydrophobicContact CD1-CE3 4Å; L57-W84 HydrophobicContact CD1-CG 3.89Å; L57-W84 HydrophobicContact CG-CD2 4.47Å; L57-W84 HydrophobicContact CG-CG 4.45Å; L57-V369 HydrophobicContact CD1-CG1 4.43Å; L57-V369 HydrophobicContact CD2-CB 4.35Å; L57-V369 HydrophobicContact CD2-CG1 3.42Å; L57-V369 VanDerWaalsContact CD2-CG1 3.42Å; L57-V369 HydrophobicContact CD2-CG2 3.94Å; L57-R554 PolarHBondContact O-NE 3.03Å; L57-A555 HydrophobicContact CD2-CB 3.71Å; L57-V557 HydrophobicContact CD2-CG2 3.88Å |
| 58 | L | 93.3 | Very high | 92.8 | Very high | 76 Ų | 76 | 25 Ų | 25 | 40% | 0.398 | 13% | 0.127 | S | C | . | . | H | α-helix | trans | -61.5 | -47.8 | 174.5 | -174.3 | 63.9 | 0 | 0 | 0 | 111 | Y54 T56 G60 R554 | Y54-L58 HydrophobicContact CE1-CD2 4.42Å; Y54-L58 WeakPolarHBondContact O-CB 3Å; Y54-L58 PolarHBondContact O-N 2.96Å; T56-L58 VanDerWaalsContact C-N 3.31Å; T56-L58 PolarHBondContact O-N 3.35Å; L58-G60 VanDerWaalsContact C-N 3.35Å; L58-G60 PolarHBondContact O-N 2.89Å; L58-R554 PolarHBondContact O-NH2 3.47Å |
| 59 | K | 92 | Very high | 92.2 | Very high | 154 Ų | 154 | 21.3 Ų | 21.3 | 67% | 0.67 | 11% | 0.11 | S | C | * | . | H | α-helix | trans | -72.2 | -20 | -180 | -71.1 | 178.1 | -178.8 | -178.1 | 0 | 114.9 | A55 T56 N61 | A55-K59 WeakPolarHBondContact O-CG 3.33Å; A55-K59 PolarHBondContact O-N 3.41Å; T56-K59 PolarHBondContact O-N 2.94Å; K59-N61 HydrophobicContact CB-CB 4.34Å |
| 60 | G | 93.2 | Very high | 91.3 | Very high | 15 Ų | 15 | 23.6 Ų | 23.6 | 16% | 0.155 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 74.7 | 32.1 | -172.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | T56 L57 L58 R554 | T56-G60 PolarHBondContact O-N 3.45Å; L57-G60 PolarHBondContact O-N 2.96Å; L58-G60 VanDerWaalsContact C-N 3.35Å; L58-G60 PolarHBondContact O-N 2.89Å; G60-R554 CarbonylContact C-O 3.46Å; G60-R554 WeakPolarHBondContact CA-O 3.45Å |
| 61 | N | 93.5 | Very high | 90.4 | Very high | 30 Ų | 30 | 23.9 Ų | 23.9 | 16% | 0.16 | 14% | 0.135 | C | C | . | . | trans | -95.4 | 174.4 | -175.9 | -85.8 | 10.2 | 0 | 0 | 0 | 112.3 | T56 K59 A555 V556 R583 | T56-N61 HydrophobicContact CG2-CB 3.8Å; T56-N61 PolarHBondContact O-N 3.26Å; T56-N61 VanDerWaalsContact O-N 3.13Å; K59-N61 HydrophobicContact CB-CB 4.34Å; N61-A555 WeakPolarHBondContact O-CA 3.49Å; N61-A555 WeakPolarHBondContact O-CB 3.4Å; N61-V556 PolarHBondContact O-N 3.33Å; N61-R583 HydrophobicContact CB-CG 4.42Å; N61-R583 VanDerWaalsContact CB-O 3.24Å; N61-R583 WeakPolarHBondContact CB-O 3.45Å | ||
| 62 | V | 95.4 | Very high | 89.9 | Confident | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 134.6 | 168.7 | -176.9 | 0 | 0 | 0 | 0 | 108.3 | L550 V556 F574 R583 I584 T585 | V62-L550 HydrophobicContact CG1-CD2 4.4Å; V62-L550 HydrophobicContact CG2-CD2 3.78Å; V62-V556 CarbonylContact C-O 3.58Å; V62-V556 WeakPolarHBondContact CA-O 3.45Å; V62-V556 HydrophobicContact CG1-CB 4.47Å; V62-V556 WeakPolarHBondContact CG1-O 3.46Å; V62-V556 HydrophobicContact CG2-CB 4.44Å; V62-F574 HydrophobicContact CG1-CE1 3.71Å; V62-F574 HydrophobicContact CG1-CZ 3.79Å; V62-R583 PolarHBondContact N-O 2.85Å; V62-I584 HydrophobicContact CB-CG1 4.46Å; V62-I584 CarbonylContact O-C 3.08Å; V62-I584 WeakPolarHBondContact O-CA 3.46Å; V62-T585 PolarHBondContact O-N 2.8Å |
| 63 | A | 95 | Very high | 89.7 | Confident | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 139.8 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | T56 M65 V556 V557 L558 T585 | T56-A63 HydrophobicContact CG2-CB 3.57Å; A63-M65 HydrophobicContact CB-CG 4.08Å; A63-V556 PolarHBondContact N-O 3.37Å; A63-V557 HydrophobicContact CB-CG2 4.48Å; A63-V557 CarbonylContact O-C 3.51Å; A63-V557 WeakPolarHBondContact O-CA 3.46Å; A63-L558 PolarHBondContact O-N 2.73Å; A63-T585 CarbonylContact C-O 3.6Å; A63-T585 VanDerWaalsContact CA-O 3.24Å; A63-T585 WeakPolarHBondContact CA-O 3.23Å |
| 64 | I | 95.1 | Very high | 89.5 | Confident | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 114.8 | 165.4 | -53.7 | 173.5 | 0 | 0 | 0 | 105.9 | L558 M563 V566 Y570 F574 I584 T585 H586 L587 | I64-L558 CarbonylContact C-O 3.53Å; I64-L558 WeakPolarHBondContact CA-O 3.45Å; I64-M563 HydrophobicContact CG2-CB 4.49Å; I64-M563 HydrophobicContact CG2-CE 3.7Å; I64-M563 HydrophobicContact CG2-CG 4.39Å; I64-V566 HydrophobicContact CD1-CG1 3.83Å; I64-V566 HydrophobicContact CG2-CG1 4.04Å; I64-Y570 HydrophobicContact CD1-CE1 4.34Å; I64-Y570 HydrophobicContact CD1-CE2 4.06Å; I64-F574 HydrophobicContact CD1-CD2 4.39Å; I64-F574 HydrophobicContact CD1-CE2 3.62Å; I64-F574 HydrophobicContact CD1-CZ 4.36Å; I64-F574 HydrophobicContact CG1-CE2 4.12Å; I64-F574 HydrophobicContact CG1-CZ 4.39Å; I64-I584 HydrophobicContact CD1-CG2 4Å; I64-I584 HydrophobicContact CG1-CG2 4.22Å; I64-T585 PolarHBondContact N-O 2.93Å; I64-H586 WeakPolarHBondContact O-CA 3.37Å; I64-L587 PolarHBondContact O-N 2.85Å |
| 65 | M | 93 | Very high | 89.3 | Confident | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 116.5 | -176.4 | -61.1 | -161.3 | -72.8 | 0 | 0 | 111.4 | F49 L53 A63 L77 V557 L558 T559 G560 L587 | F49-M65 HydrophobicContact CD1-CE 4.42Å; F49-M65 HydrophobicContact CD1-SD 4.27Å; F49-M65 HydrophobicContact CD2-CB 4.32Å; F49-M65 HydrophobicContact CD2-SD 4.18Å; F49-M65 HydrophobicContact CE1-CE 3.61Å; F49-M65 HydrophobicContact CE1-SD 3.97Å; F49-M65 HydrophobicContact CE2-CB 3.55Å; F49-M65 HydrophobicContact CE2-CE 4.15Å; F49-M65 HydrophobicContact CE2-CG 4.33Å; F49-M65 HydrophobicContact CE2-SD 3.9Å; F49-M65 HydrophobicContact CG-SD 4.37Å; F49-M65 HydrophobicContact CZ-CB 3.93Å; F49-M65 HydrophobicContact CZ-CE 3.45Å; F49-M65 VanDerWaalsContact CZ-CE 3.45Å; F49-M65 HydrophobicContact CZ-SD 3.78Å; L53-M65 HydrophobicContact CB-CE 3.84Å; L53-M65 HydrophobicContact CB-SD 4.03Å; L53-M65 HydrophobicContact CD1-CE 3.62Å; L53-M65 HydrophobicContact CD2-CE 4.2Å; L53-M65 HydrophobicContact CG-CE 4.08Å; A63-M65 HydrophobicContact CB-CG 4.08Å; M65-L77 HydrophobicContact CE-CD2 3.89Å; M65-V557 HydrophobicContact CE-CG1 3.28Å; M65-L558 PolarHBondContact N-O 2.83Å; M65-T559 VanDerWaalsContact O-CA 3.28Å; M65-T559 WeakPolarHBondContact O-CA 3.48Å; M65-T559 PolarHBondContact O-OG1 3.21Å; M65-G560 PolarHBondContact O-N 3.24Å; M65-L587 CarbonylContact C-O 3.58Å; M65-L587 WeakPolarHBondContact CA-O 3.5Å; M65-L587 HydrophobicContact CG-CB 4.43Å |
| 66 | E | 90.2 | Very high | 89.3 | Confident | 1 Ų | 1 | 21.9 Ų | 21.9 | 1% | 0.005 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 127.2 | 172.6 | -178.8 | 172.5 | 169.1 | 0 | 0 | 110.3 | M563 E564 L587 C589 | E66-M563 HydrophobicContact CB-CB 4.08Å; E66-M563 HydrophobicContact CB-CG 3.89Å; E66-M563 VanDerWaalsContact CD-N 3.28Å; E66-M563 HydrophobicContact CG-CB 4.44Å; E66-M563 HydrophobicContact CG-CG 4.38Å; E66-M563 PolarHBondContact OE2-N 2.9Å; E66-E564 PolarHBondContact OE2-N 3.31Å; E66-L587 PolarHBondContact N-O 2.88Å; E66-C589 WeakPolarHBondContact O-CB 3.27Å; E66-C589 PolarHBondContact O-N 3.37Å |
| 67 | S | 88.5 | Confident | 89.4 | Confident | 4 Ų | 4 | 21.8 Ų | 21.8 | 3% | 0.028 | 13% | 0.132 | C | C | . | . | trans | -139.3 | 112.7 | 175.8 | 166.3 | 0 | 0 | 0 | 0 | 107.9 | T71 G560 G561 | S67-T71 PolarHBondContact OG-OG1 2.95Å; S67-G560 PolarHBondContact N-O 2.65Å; S67-G560 VanDerWaalsContact N-O 3.12Å; S67-G561 WeakPolarHBondContact O-CA 3.39Å | ||
| 68 | P | 81.9 | Confident | 89.4 | Confident | 6 Ų | 6 | 21.8 Ų | 21.8 | 4% | 0.039 | 13% | 0.132 | C | C | . | . | trans | -52.1 | 148.4 | -177.4 | -28.8 | 34.6 | 0 | 0 | 0 | 112.4 | G70 T71 G561 C589 | P68-G70 PolarHBondContact O-N 2.85Å; P68-T71 HydrophobicContact CB-CG2 4.05Å; P68-T71 WeakPolarHBondContact O-CB 3.45Å; P68-T71 WeakPolarHBondContact O-CG2 3.41Å; P68-T71 PolarHBondContact O-N 2.98Å; P68-T71 PolarHBondContact O-OG1 3.41Å; P68-G561 WeakPolarHBondContact CA-O 3.3Å; P68-C589 WeakPolarHBondContact CD-O 3.42Å; P68-C589 WeakPolarHBondContact CG-O 3.4Å | ||
| 69 | T | 77.5 | Confident | 89.5 | Confident | 20 Ų | 20 | 18.2 Ų | 18.2 | 12% | 0.123 | 11% | 0.113 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | 144.4 | -178.5 | 78.5 | 0 | 0 | 0 | 0 | 111 | T71 G772 R776 | T69-T71 VanDerWaalsContact C-N 3.3Å; T69-T71 PolarHBondContact O-N 3.46Å; T69-G772 PolarHBondContact OG1-O 3.27Å; T69-R776 PolarHBondContact OG1-NH1 3.31Å |
| 70 | G | 73.4 | Confident | 89.6 | Confident | 49 Ų | 49 | 10.9 Ų | 10.9 | 51% | 0.505 | 8% | 0.081 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 85.1 | -11.1 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | P68 G72 R776 | P68-G70 PolarHBondContact O-N 2.85Å; G70-G72 PolarHBondContact O-N 3.41Å; G70-R776 WeakPolarHBondContact CA-O 3.45Å |
| 71 | T | 76.1 | Confident | 89.8 | Confident | 7 Ų | 7 | 10.2 Ų | 10.2 | 4% | 0.043 | 7% | 0.074 | C | C | . | . | S | Bend | trans | -83.6 | 7.3 | 179 | 64.9 | 0 | 0 | 0 | 0 | 114.3 | Q46 S67 P68 T69 V592 | Q46-T71 WeakPolarHBondContact CG-O 3.31Å; Q46-T71 PolarHBondContact NE2-O 2.83Å; S67-T71 PolarHBondContact OG-OG1 2.95Å; P68-T71 HydrophobicContact CB-CG2 4.05Å; P68-T71 WeakPolarHBondContact O-CB 3.45Å; P68-T71 WeakPolarHBondContact O-CG2 3.41Å; P68-T71 PolarHBondContact O-N 2.98Å; P68-T71 PolarHBondContact O-OG1 3.41Å; T69-T71 VanDerWaalsContact C-N 3.3Å; T69-T71 PolarHBondContact O-N 3.46Å; T71-V592 HydrophobicContact CG2-CB 4.49Å; T71-V592 HydrophobicContact CG2-CG2 3.71Å |
| 72 | G | 83.7 | Confident | 89.9 | Confident | 25 Ų | 25 | 8.9 Ų | 8.9 | 26% | 0.258 | 7% | 0.068 | S | C | . | . | trans | 75.1 | 36.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | G70 S74 L75 S76 | G70-G72 PolarHBondContact O-N 3.41Å; G72-S74 PolarHBondContact O-N 3.26Å; G72-L75 PolarHBondContact O-N 2.81Å; G72-S76 WeakPolarHBondContact O-CB 3.33Å; G72-S76 PolarHBondContact O-N 2.84Å; G72-S76 PolarHBondContact O-OG 3.16Å | ||
| 73 | K | 89.4 | Confident | 89.9 | Confident | 18 Ų | 18 | 8.9 Ų | 8.9 | 8% | 0.078 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -46.8 | -55 | 173.4 | 179.7 | -178.8 | 61.9 | 163.9 | 0 | 112.6 | L75 S76 L77 D373 E374 | K73-L75 PolarHBondContact O-N 2.96Å; K73-S76 WeakPolarHBondContact O-CB 3.46Å; K73-S76 PolarHBondContact O-N 3Å; K73-S76 VanDerWaalsContact O-N 3.14Å; K73-L77 HydrophobicContact CG-CD1 3.96Å; K73-L77 WeakPolarHBondContact O-CG 3.45Å; K73-L77 PolarHBondContact O-N 2.77Å; K73-D373 WeakPolarHBondContact CE-OD1 3.41Å; K73-D373 IonicContact NZ-OD1 2.69Å; K73-D373 PolarHBondContact NZ-OD1 2.95Å; K73-D373 IonicContact NZ-OD2 3.82Å; K73-E374 IonicContact NZ-OE1 2.76Å; K73-E374 PolarHBondContact NZ-OE1 2.76Å; K73-E374 IonicContact NZ-OE2 3.43Å |
| 74 | S | 91.1 | Very high | 90 | Very high | 20 Ų | 20 | 9.1 Ų | 9.1 | 14% | 0.14 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -60.1 | -44.5 | -177.3 | -63.2 | 0 | 0 | 0 | 0 | 112.6 | G72 L77 L78 E231 | G72-S74 PolarHBondContact O-N 3.26Å; S74-L77 PolarHBondContact O-N 3.07Å; S74-L78 WeakPolarHBondContact O-CG 3.47Å; S74-L78 PolarHBondContact O-N 3.43Å; S74-E231 WeakPolarHBondContact CB-OE2 3.44Å |
| 75 | L | 91.7 | Very high | 90 | Very high | 30 Ų | 30 | 9.5 Ų | 9.5 | 16% | 0.157 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -62.9 | -42.3 | 174 | -173.6 | 66.6 | 0 | 0 | 0 | 111.9 | G72 K73 L78 C79 E231 K234 T235 | G72-L75 PolarHBondContact O-N 2.81Å; K73-L75 PolarHBondContact O-N 2.96Å; L75-L78 PolarHBondContact O-N 2.95Å; L75-C79 VanDerWaalsContact O-CB 3.32Å; L75-C79 WeakPolarHBondContact O-CB 3.33Å; L75-C79 PolarHBondContact O-N 3.44Å; L75-C79 PolarHBondContact O-SG 3.16Å; L75-C79 VanDerWaalsContact O-SG 3.38Å; L75-E231 PolarHBondContact N-OE2 2.69Å; L75-K234 HydrophobicContact CD1-CB 4.45Å; L75-T235 HydrophobicContact CD1-CG2 3.77Å |
| 76 | S | 93.4 | Very high | 90 | Very high | 3 Ų | 3 | 15.2 Ų | 15.2 | 2% | 0.021 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -65.4 | -39.4 | 178.4 | -52.7 | 0 | 0 | 0 | 0 | 111.8 | Q46 F49 M50 G72 K73 G80 | Q46-S76 WeakPolarHBondContact CG-OG 3.21Å; F49-S76 VanDerWaalsContact CD1-CB 3.47Å; M50-S76 WeakPolarHBondContact CG-O 3.47Å; G72-S76 WeakPolarHBondContact O-CB 3.33Å; G72-S76 PolarHBondContact O-N 2.84Å; G72-S76 PolarHBondContact O-OG 3.16Å; K73-S76 WeakPolarHBondContact O-CB 3.46Å; K73-S76 PolarHBondContact O-N 3Å; K73-S76 VanDerWaalsContact O-N 3.14Å; S76-G80 PolarHBondContact O-N 3.41Å |
| 77 | L | 94.9 | Very high | 90.2 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -62 | -48.2 | 172.8 | -74.3 | 165.5 | 0 | 0 | 0 | 111.3 | F49 L53 M65 K73 S74 S81 Y217 F228 I371 V557 T559 | F49-L77 HydrophobicContact CE1-CD2 3.69Å; F49-L77 HydrophobicContact CE1-CG 3.79Å; F49-L77 HydrophobicContact CZ-CD2 3.67Å; F49-L77 HydrophobicContact CZ-CG 3.84Å; L53-L77 HydrophobicContact CD2-CD2 4.24Å; M65-L77 HydrophobicContact CE-CD2 3.89Å; K73-L77 HydrophobicContact CG-CD1 3.96Å; K73-L77 WeakPolarHBondContact O-CG 3.45Å; K73-L77 PolarHBondContact O-N 2.77Å; S74-L77 PolarHBondContact O-N 3.07Å; L77-S81 WeakPolarHBondContact O-CB 3.44Å; L77-S81 PolarHBondContact O-N 3.27Å; L77-S81 PolarHBondContact O-OG 3.25Å; L77-Y217 HydrophobicContact CD1-CE2 4.36Å; L77-F228 HydrophobicContact CB-CE2 4.45Å; L77-I371 HydrophobicContact CD2-CG2 4.14Å; L77-V557 HydrophobicContact CD2-CG1 4.38Å; L77-T559 HydrophobicContact CD1-CG2 3.54Å; L77-T559 HydrophobicContact CD2-CG2 3.95Å; L77-T559 HydrophobicContact CG-CG2 4.38Å |
| 78 | L | 95.1 | Very high | 90.4 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -61.8 | -55.4 | 179.5 | -78.6 | 171.2 | 0 | 0 | 0 | 111.5 | S74 L75 S81 L82 F228 E231 I232 T235 L344 | S74-L78 WeakPolarHBondContact O-CG 3.47Å; S74-L78 PolarHBondContact O-N 3.43Å; L75-L78 PolarHBondContact O-N 2.95Å; L78-S81 PolarHBondContact O-N 3.1Å; L78-S81 PolarHBondContact O-OG 3Å; L78-L82 HydrophobicContact CD2-CD1 4.25Å; L78-L82 WeakPolarHBondContact O-CB 3.24Å; L78-L82 WeakPolarHBondContact O-CG 3.27Å; L78-L82 PolarHBondContact O-N 3.49Å; L78-F228 HydrophobicContact CD1-CD2 4.43Å; L78-F228 HydrophobicContact CD1-CE2 4.1Å; L78-F228 HydrophobicContact CD1-CZ 4.24Å; L78-F228 HydrophobicContact CD2-CD1 4.34Å; L78-F228 HydrophobicContact CD2-CE1 3.49Å; L78-F228 VanDerWaalsContact CD2-CE1 3.49Å; L78-F228 HydrophobicContact CD2-CE2 3.94Å; L78-F228 HydrophobicContact CD2-CZ 3.24Å; L78-F228 HydrophobicContact CG-CD2 4.39Å; L78-F228 HydrophobicContact CG-CE1 4.11Å; L78-F228 HydrophobicContact CG-CE2 3.6Å; L78-F228 HydrophobicContact CG-CZ 3.44Å; L78-F228 VanDerWaalsContact CG-CZ 3.44Å; L78-E231 HydrophobicContact CD1-CB 3.9Å; L78-I232 HydrophobicContact CD1-CG1 3.8Å; L78-I232 HydrophobicContact CD2-CD1 4.3Å; L78-I232 HydrophobicContact CD2-CG1 3.65Å; L78-I232 HydrophobicContact CG-CG1 4.39Å; L78-T235 HydrophobicContact CB-CG2 4.16Å; L78-T235 HydrophobicContact CD1-CG2 4.49Å; L78-L344 HydrophobicContact CD2-CD2 4.09Å |
| 79 | C | 95.2 | Very high | 90.9 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -59.3 | -52.9 | -178.9 | -72 | 0 | 0 | 0 | 0 | 111 | F36 C38 M50 L75 S81 L82 T83 | F36-C79 HydrophobicContact CB-CB 4.08Å; F36-C79 WeakPolarHBondContact O-CB 3.18Å; C38-C79 PolarHBondContact SG-SG 3.42Å; M50-C79 HydrophobicContact SD-CB 3.51Å; M50-C79 VanDerWaalsContact SD-CB 3.51Å; L75-C79 VanDerWaalsContact O-CB 3.32Å; L75-C79 WeakPolarHBondContact O-CB 3.33Å; L75-C79 PolarHBondContact O-N 3.44Å; L75-C79 PolarHBondContact O-SG 3.16Å; L75-C79 VanDerWaalsContact O-SG 3.38Å; C79-S81 PolarHBondContact O-N 3.27Å; C79-L82 PolarHBondContact O-N 2.86Å; C79-T83 WeakPolarHBondContact O-CB 3.35Å; C79-T83 PolarHBondContact O-N 3.16Å; C79-T83 PolarHBondContact O-OG1 3.48Å |
| 80 | G | 94.7 | Very high | 91.6 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -60.4 | -42.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114 | S76 W84 | S76-G80 PolarHBondContact O-N 3.41Å; G80-W84 PolarHBondContact O-N 3.01Å |
| 81 | S | 96.4 | Very high | 92.5 | Very high | 1 Ų | 1 | 27.4 Ų | 27.4 | 1% | 0.007 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -75.7 | -37.4 | -179.1 | 65.9 | 0 | 0 | 0 | 0 | 113.5 | L77 L78 C79 W84 L85 | L77-S81 WeakPolarHBondContact O-CB 3.44Å; L77-S81 PolarHBondContact O-N 3.27Å; L77-S81 PolarHBondContact O-OG 3.25Å; L78-S81 PolarHBondContact O-N 3.1Å; L78-S81 PolarHBondContact O-OG 3Å; C79-S81 PolarHBondContact O-N 3.27Å; S81-W84 PolarHBondContact O-N 2.91Å; S81-L85 WeakPolarHBondContact O-CB 3.36Å; S81-L85 PolarHBondContact O-N 2.98Å |
| 82 | L | 96.4 | Very high | 93.3 | Very high | 3 Ų | 3 | 29 Ų | 29 | 2% | 0.016 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -75 | -33.8 | 178.2 | -65.7 | 176.3 | 0 | 0 | 0 | 112.3 | L78 C79 W84 L85 R86 I215 Y237 T241 | L78-L82 HydrophobicContact CD2-CD1 4.25Å; L78-L82 WeakPolarHBondContact O-CB 3.24Å; L78-L82 WeakPolarHBondContact O-CG 3.27Å; L78-L82 PolarHBondContact O-N 3.49Å; C79-L82 PolarHBondContact O-N 2.86Å; L82-W84 VanDerWaalsContact C-N 3.35Å; L82-L85 HydrophobicContact CD2-CD2 4.2Å; L82-L85 PolarHBondContact O-N 3.46Å; L82-R86 WeakPolarHBondContact O-CB 3.34Å; L82-R86 PolarHBondContact O-N 3.26Å; L82-I215 HydrophobicContact CD2-CD1 4.27Å; L82-Y237 HydrophobicContact CB-CD2 3.57Å; L82-Y237 HydrophobicContact CB-CE2 3.99Å; L82-Y237 HydrophobicContact CB-CG 3.87Å; L82-Y237 HydrophobicContact CD1-CD2 4.04Å; L82-Y237 HydrophobicContact CD1-CG 4.21Å; L82-Y237 HydrophobicContact CG-CD2 4.47Å; L82-T241 HydrophobicContact CD1-CG2 4.38Å; L82-T241 HydrophobicContact CD2-CG2 3.68Å |
| 83 | T | 95.5 | Very high | 93.8 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -58.7 | -48.9 | 168.5 | -55.9 | 0 | 0 | 0 | 0 | 110.3 | P33 F36 Y54 C79 L85 R86 D87 Y237 | P33-T83 HydrophobicContact CB-CG2 4.07Å; P33-T83 HydrophobicContact CG-CG2 3.96Å; F36-T83 VanDerWaalsContact CA-OG1 3.31Å; F36-T83 WeakPolarHBondContact CA-OG1 3.3Å; F36-T83 HydrophobicContact CD1-CG2 4.04Å; F36-T83 HydrophobicContact CE1-CG2 4.47Å; F36-T83 PolarHBondContact O-OG1 3.37Å; Y54-T83 HydrophobicContact CD2-CG2 4.35Å; Y54-T83 HydrophobicContact CE2-CG2 4.1Å; C79-T83 WeakPolarHBondContact O-CB 3.35Å; C79-T83 PolarHBondContact O-N 3.16Å; C79-T83 PolarHBondContact O-OG1 3.48Å; T83-L85 PolarHBondContact O-N 3.46Å; T83-R86 PolarHBondContact O-N 2.77Å; T83-D87 PolarHBondContact O-N 2.81Å; T83-Y237 PolarHBondContact OG1-OH 3.41Å |
| 84 | W | 96 | Very high | 94 | Very high | 5 Ų | 5 | 32.2 Ų | 32.2 | 2% | 0.019 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -58.9 | -45.7 | 175.3 | 174 | 83.2 | 0 | 0 | 0 | 112.1 | Y54 L57 G80 S81 L82 R86 D87 A88 P213 V369 | Y54-W84 HydrophobicContact CD2-CB 3.66Å; Y54-W84 VanDerWaalsContact CE2-CA 3.47Å; Y54-W84 HydrophobicContact CE2-CB 3.87Å; Y54-W84 HydrophobicContact CG-CB 4.46Å; L57-W84 HydrophobicContact CB-CB 4.44Å; L57-W84 HydrophobicContact CB-CD2 3.73Å; L57-W84 HydrophobicContact CB-CE3 4.42Å; L57-W84 HydrophobicContact CB-CG 3.67Å; L57-W84 HydrophobicContact CD1-CB 3.94Å; L57-W84 HydrophobicContact CD1-CD2 3.93Å; L57-W84 HydrophobicContact CD1-CE3 4Å; L57-W84 HydrophobicContact CD1-CG 3.89Å; L57-W84 HydrophobicContact CG-CD2 4.47Å; L57-W84 HydrophobicContact CG-CG 4.45Å; G80-W84 PolarHBondContact O-N 3.01Å; S81-W84 PolarHBondContact O-N 2.91Å; L82-W84 VanDerWaalsContact C-N 3.35Å; W84-R86 VanDerWaalsContact C-N 3.35Å; W84-R86 PolarHBondContact O-N 3.22Å; W84-D87 PolarHBondContact O-N 3.03Å; W84-A88 HydrophobicContact CD2-CB 4.46Å; W84-A88 HydrophobicContact CH2-CB 4.39Å; W84-A88 HydrophobicContact CZ2-CB 4.04Å; W84-A88 VanDerWaalsContact O-CB 3.28Å; W84-A88 WeakPolarHBondContact O-CB 3.33Å; W84-A88 PolarHBondContact O-N 3.19Å; W84-P213 HydrophobicContact CH2-CB 3.91Å; W84-P213 HydrophobicContact CH2-CG 3.77Å; W84-P213 HydrophobicContact CZ3-CB 4.31Å; W84-P213 HydrophobicContact CZ3-CG 4.1Å; W84-V369 HydrophobicContact CE3-CG2 4.12Å; W84-V369 HydrophobicContact CH2-CG2 3.49Å; W84-V369 VanDerWaalsContact CH2-CG2 3.49Å; W84-V369 HydrophobicContact CZ2-CG2 4.26Å; W84-V369 HydrophobicContact CZ3-CB 4.44Å; W84-V369 HydrophobicContact CZ3-CG2 3.4Å; W84-V369 VanDerWaalsContact CZ3-CG2 3.4Å |
| 85 | L | 95.8 | Very high | 94.1 | Very high | 7 Ų | 7 | 35.3 Ų | 35.3 | 4% | 0.037 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -60.6 | -44.4 | -179.3 | -177.1 | 61.2 | 0 | 0 | 0 | 112.1 | S81 L82 T83 R89 P213 I215 D343 | S81-L85 WeakPolarHBondContact O-CB 3.36Å; S81-L85 PolarHBondContact O-N 2.98Å; L82-L85 HydrophobicContact CD2-CD2 4.2Å; L82-L85 PolarHBondContact O-N 3.46Å; T83-L85 PolarHBondContact O-N 3.46Å; L85-R89 HydrophobicContact CD1-CG 4.42Å; L85-R89 WeakPolarHBondContact O-CB 2.85Å; L85-R89 VanDerWaalsContact O-CG 3.26Å; L85-R89 WeakPolarHBondContact O-CG 3.35Å; L85-R89 PolarHBondContact O-N 2.9Å; L85-P213 HydrophobicContact CD1-CB 4.49Å; L85-P213 HydrophobicContact CD1-CG 3.87Å; L85-P213 WeakPolarHBondContact CD1-O 3.48Å; L85-I215 HydrophobicContact CB-CD1 4.02Å; L85-I215 HydrophobicContact CD2-CD1 3.92Å; L85-I215 HydrophobicContact CD2-CG1 4.36Å; L85-I215 HydrophobicContact CG-CD1 4.43Å; L85-D343 HydrophobicContact CD2-CB 3.94Å |
| 86 | R | 94.1 | Very high | 94.3 | Very high | 121 Ų | 121 | 34.7 Ų | 34.7 | 46% | 0.457 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -58.2 | -49.2 | 175.4 | 179.5 | -161.7 | 67.1 | -169.3 | -3.3 | 110.7 | L82 T83 W84 R89 R90 | L82-R86 WeakPolarHBondContact O-CB 3.34Å; L82-R86 PolarHBondContact O-N 3.26Å; T83-R86 PolarHBondContact O-N 2.77Å; W84-R86 VanDerWaalsContact C-N 3.35Å; W84-R86 PolarHBondContact O-N 3.22Å; R86-R89 PolarHBondContact O-N 2.76Å; R86-R90 WeakPolarHBondContact O-CB 3.35Å; R86-R90 PolarHBondContact O-N 2.85Å |
| 87 | D | 93.8 | Very high | 94.4 | Very high | 32 Ų | 32 | 38.3 Ų | 38.3 | 17% | 0.171 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -68.6 | -44.1 | -175.7 | -63.3 | -10.6 | 0 | 0 | 0 | 111.3 | Y54 T83 W84 R89 R90 Q91 | Y54-D87 WeakPolarHBondContact CE2-OD2 3.24Å; Y54-D87 PolarHBondContact OH-OD2 2.71Å; T83-D87 PolarHBondContact O-N 2.81Å; W84-D87 PolarHBondContact O-N 3.03Å; D87-R89 VanDerWaalsContact C-N 3.32Å; D87-R89 PolarHBondContact O-N 2.91Å; D87-R90 PolarHBondContact O-N 2.73Å; D87-Q91 PolarHBondContact O-N 2.84Å |
| 88 | A | 93.3 | Very high | 94.4 | Very high | 22 Ų | 22 | 42 Ų | 42 | 18% | 0.182 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -59.5 | -41.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | W84 Q91 I92 P213 | W84-A88 HydrophobicContact CD2-CB 4.46Å; W84-A88 HydrophobicContact CH2-CB 4.39Å; W84-A88 HydrophobicContact CZ2-CB 4.04Å; W84-A88 VanDerWaalsContact O-CB 3.28Å; W84-A88 WeakPolarHBondContact O-CB 3.33Å; W84-A88 PolarHBondContact O-N 3.19Å; A88-Q91 PolarHBondContact O-N 2.76Å; A88-I92 WeakPolarHBondContact O-CG1 3.41Å; A88-I92 PolarHBondContact O-N 2.79Å; A88-P213 HydrophobicContact CB-CG 4.25Å |
| 89 | R | 92.2 | Very high | 94.4 | Very high | 31 Ų | 31 | 43.3 Ų | 43.3 | 12% | 0.117 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -69.9 | -40.5 | 176.7 | -73.6 | 173.6 | 178.1 | -168.2 | 0.4 | 112.8 | L85 R86 D87 Q91 I92 E93 P213 D343 | L85-R89 HydrophobicContact CD1-CG 4.42Å; L85-R89 WeakPolarHBondContact O-CB 2.85Å; L85-R89 VanDerWaalsContact O-CG 3.26Å; L85-R89 WeakPolarHBondContact O-CG 3.35Å; L85-R89 PolarHBondContact O-N 2.9Å; R86-R89 PolarHBondContact O-N 2.76Å; D87-R89 VanDerWaalsContact C-N 3.32Å; D87-R89 PolarHBondContact O-N 2.91Å; R89-Q91 PolarHBondContact O-N 2.7Å; R89-I92 PolarHBondContact O-N 3.04Å; R89-E93 PolarHBondContact O-N 3.39Å; R89-P213 PolarHBondContact NH2-O 3.33Å; R89-D343 IonicContact CZ-OD1 2.75Å; R89-D343 IonicContact NH1-OD1 2.99Å; R89-D343 PolarHBondContact NH1-OD1 3.08Å; R89-D343 IonicContact NH1-OD2 2.85Å; R89-D343 PolarHBondContact NH1-OD2 2.86Å; R89-D343 IonicContact NH2-OD1 3.66Å; R89-D343 PolarHBondContact NH2-OD1 2.79Å |
| 90 | R | 92.6 | Very high | 94.4 | Very high | 170 Ų | 170 | 44.1 Ų | 44.1 | 64% | 0.642 | 22% | 0.216 | S | C | * | . | H | α-helix | trans | -59 | -42.2 | 173.7 | -176.7 | -179.3 | -179.6 | -179 | -0.3 | 110.2 | R86 D87 E93 L94 | R86-R90 WeakPolarHBondContact O-CB 3.35Å; R86-R90 PolarHBondContact O-N 2.85Å; D87-R90 PolarHBondContact O-N 2.73Å; R90-E93 PolarHBondContact O-N 3.06Å; R90-L94 HydrophobicContact CG-CD1 4.2Å; R90-L94 WeakPolarHBondContact O-CG 3.28Å; R90-L94 PolarHBondContact O-N 3.12Å |
| 91 | Q | 92 | Very high | 94.4 | Very high | 81 Ų | 81 | 49.3 Ų | 49.3 | 38% | 0.379 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -61.8 | -47.1 | 176.6 | -169.2 | 58.9 | 43 | 0 | 0 | 111.5 | D87 A88 R89 E93 L94 D95 | D87-Q91 PolarHBondContact O-N 2.84Å; A88-Q91 PolarHBondContact O-N 2.76Å; R89-Q91 PolarHBondContact O-N 2.7Å; Q91-E93 VanDerWaalsContact C-N 3.29Å; Q91-E93 PolarHBondContact O-N 3.46Å; Q91-L94 PolarHBondContact O-N 2.98Å; Q91-L94 VanDerWaalsContact O-N 3.1Å; Q91-D95 PolarHBondContact NE2-OD1 2.84Å; Q91-D95 WeakPolarHBondContact O-CB 3.46Å; Q91-D95 PolarHBondContact O-N 2.86Å |
| 92 | I | 92.6 | Very high | 94.4 | Very high | 41 Ų | 41 | 55.9 Ų | 55.9 | 21% | 0.21 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -56 | -43.6 | 175.8 | -69.3 | 164.6 | 0 | 0 | 0 | 111.6 | A88 R89 D95 L96 | A88-I92 WeakPolarHBondContact O-CG1 3.41Å; A88-I92 PolarHBondContact O-N 2.79Å; R89-I92 PolarHBondContact O-N 3.04Å; I92-D95 PolarHBondContact O-N 2.75Å; I92-L96 HydrophobicContact CG2-CD1 4Å; I92-L96 HydrophobicContact CG2-CG 4.49Å; I92-L96 WeakPolarHBondContact O-CB 3.11Å; I92-L96 WeakPolarHBondContact O-CG 3.23Å; I92-L96 PolarHBondContact O-N 3.03Å |
| 93 | E | 92.9 | Very high | 94.3 | Very high | 33 Ų | 33 | 57 Ų | 57 | 15% | 0.154 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -65 | -39.7 | 177.4 | -77.7 | 178 | -124.1 | 0 | 0 | 113.2 | R89 R90 Q91 Q97 L136 R143 | R89-E93 PolarHBondContact O-N 3.39Å; R90-E93 PolarHBondContact O-N 3.06Å; Q91-E93 VanDerWaalsContact C-N 3.29Å; Q91-E93 PolarHBondContact O-N 3.46Å; E93-Q97 VanDerWaalsContact O-CG 3.24Å; E93-Q97 WeakPolarHBondContact O-CG 3.42Å; E93-Q97 PolarHBondContact O-N 3.39Å; E93-L136 HydrophobicContact CB-CD1 4.47Å; E93-L136 HydrophobicContact CG-CD1 4.15Å; E93-R143 IonicContact OE1-CZ 3.68Å; E93-R143 IonicContact OE1-NH1 2.69Å; E93-R143 PolarHBondContact OE1-NH1 3.48Å; E93-R143 IonicContact OE1-NH2 2.79Å; E93-R143 PolarHBondContact OE1-NH2 3.09Å; E93-R143 IonicContact OE2-NH1 2.62Å |
| 94 | L | 94.6 | Very high | 94.2 | Very high | 77 Ų | 77 | 61.8 Ų | 61.8 | 40% | 0.403 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -67 | -42.8 | 176.3 | -70.6 | 172.5 | 0 | 0 | 0 | 111.2 | R90 Q91 L96 Q97 C98 | R90-L94 HydrophobicContact CG-CD1 4.2Å; R90-L94 WeakPolarHBondContact O-CG 3.28Å; R90-L94 PolarHBondContact O-N 3.12Å; Q91-L94 PolarHBondContact O-N 2.98Å; Q91-L94 VanDerWaalsContact O-N 3.1Å; L94-L96 VanDerWaalsContact C-N 3.34Å; L94-L96 PolarHBondContact O-N 3.27Å; L94-Q97 PolarHBondContact O-N 3.02Å; L94-C98 WeakPolarHBondContact O-CB 3.41Å; L94-C98 PolarHBondContact O-N 3.3Å |
| 95 | D | 94 | Very high | 94.1 | Very high | 84 Ų | 84 | 67 Ų | 67 | 45% | 0.449 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -61.8 | -43.2 | 177.3 | -66.3 | -20 | 0 | 0 | 0 | 110.9 | Q91 I92 C98 A99 | Q91-D95 PolarHBondContact NE2-OD1 2.84Å; Q91-D95 WeakPolarHBondContact O-CB 3.46Å; Q91-D95 PolarHBondContact O-N 2.86Å; I92-D95 PolarHBondContact O-N 2.75Å; D95-C98 PolarHBondContact O-N 3.26Å; D95-A99 VanDerWaalsContact O-CB 3.24Å; D95-A99 WeakPolarHBondContact O-CB 3.43Å; D95-A99 PolarHBondContact O-N 3.29Å |
| 96 | L | 94.4 | Very high | 93.9 | Very high | 18 Ų | 18 | 67.7 Ų | 67.7 | 9% | 0.094 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -62 | -44.3 | 174.5 | -71.1 | 170 | 0 | 0 | 0 | 111.4 | I92 L94 A99 I100 R135 L136 I139 | I92-L96 HydrophobicContact CG2-CD1 4Å; I92-L96 HydrophobicContact CG2-CG 4.49Å; I92-L96 WeakPolarHBondContact O-CB 3.11Å; I92-L96 WeakPolarHBondContact O-CG 3.23Å; I92-L96 PolarHBondContact O-N 3.03Å; L94-L96 VanDerWaalsContact C-N 3.34Å; L94-L96 PolarHBondContact O-N 3.27Å; L96-A99 PolarHBondContact O-N 3.43Å; L96-I100 WeakPolarHBondContact O-CB 2.99Å; L96-I100 VanDerWaalsContact O-CD1 3.28Å; L96-I100 WeakPolarHBondContact O-CD1 3.26Å; L96-I100 WeakPolarHBondContact O-CG1 3.41Å; L96-I100 PolarHBondContact O-N 3.1Å; L96-R135 HydrophobicContact CD1-CB 4.39Å; L96-R135 HydrophobicContact CD1-CG 4.04Å; L96-R135 HydrophobicContact CD2-CB 4.47Å; L96-L136 HydrophobicContact CD1-CB 4.42Å; L96-I139 HydrophobicContact CD1-CD1 4Å |
| 97 | Q | 95.7 | Very high | 93.7 | Very high | 78 Ų | 78 | 64.6 Ų | 64.6 | 36% | 0.364 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -64 | -44 | 177.4 | -73.2 | 171.4 | 22.2 | 0 | 0 | 112.1 | E93 L94 I100 E101 L136 | E93-Q97 VanDerWaalsContact O-CG 3.24Å; E93-Q97 WeakPolarHBondContact O-CG 3.42Å; E93-Q97 PolarHBondContact O-N 3.39Å; L94-Q97 PolarHBondContact O-N 3.02Å; Q97-I100 PolarHBondContact O-N 2.87Å; Q97-E101 PolarHBondContact O-N 3.15Å; Q97-L136 HydrophobicContact CG-CD2 3.93Å |
| 98 | C | 95.6 | Very high | 93.5 | Very high | 77 Ų | 77 | 70.2 Ų | 70.2 | 52% | 0.52 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -63 | -45.1 | 177.2 | -172.2 | 0 | 0 | 0 | 0 | 111.1 | L94 D95 I100 E101 K102 | L94-C98 WeakPolarHBondContact O-CB 3.41Å; L94-C98 PolarHBondContact O-N 3.3Å; D95-C98 PolarHBondContact O-N 3.26Å; C98-I100 VanDerWaalsContact C-N 3.32Å; C98-I100 PolarHBondContact O-N 3.01Å; C98-E101 PolarHBondContact O-N 2.61Å; C98-K102 VanDerWaalsContact O-CB 3.27Å; C98-K102 WeakPolarHBondContact O-CB 3.2Å; C98-K102 PolarHBondContact O-N 2.68Å |
| 99 | A | 94.5 | Very high | 93.2 | Very high | 28 Ų | 28 | 74.4 Ų | 74.4 | 23% | 0.231 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -59.3 | -42.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | D95 L96 N103 | D95-A99 VanDerWaalsContact O-CB 3.24Å; D95-A99 WeakPolarHBondContact O-CB 3.43Å; D95-A99 PolarHBondContact O-N 3.29Å; L96-A99 PolarHBondContact O-N 3.43Å; A99-N103 WeakPolarHBondContact O-CB 3.24Å; A99-N103 PolarHBondContact O-N 3.28Å; A99-N103 PolarHBondContact O-ND2 3.25Å |
| 100 | I | 95.5 | Very high | 92.7 | Very high | 17 Ų | 17 | 78.6 Ų | 78.6 | 9% | 0.087 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -62.1 | -48.7 | 176.1 | -68.3 | 161.3 | 0 | 0 | 0 | 110.8 | L96 Q97 C98 K104 V129 T133 L136 | L96-I100 WeakPolarHBondContact O-CB 2.99Å; L96-I100 VanDerWaalsContact O-CD1 3.28Å; L96-I100 WeakPolarHBondContact O-CD1 3.26Å; L96-I100 WeakPolarHBondContact O-CG1 3.41Å; L96-I100 PolarHBondContact O-N 3.1Å; Q97-I100 PolarHBondContact O-N 2.87Å; C98-I100 VanDerWaalsContact C-N 3.32Å; C98-I100 PolarHBondContact O-N 3.01Å; I100-K104 HydrophobicContact CG2-CD 3.94Å; I100-K104 VanDerWaalsContact O-CB 3.31Å; I100-K104 WeakPolarHBondContact O-CB 3.47Å; I100-K104 VanDerWaalsContact O-CG 3.22Å; I100-K104 WeakPolarHBondContact O-CG 3.11Å; I100-K104 PolarHBondContact O-N 2.69Å; I100-V129 HydrophobicContact CG2-CG1 4.49Å; I100-T133 HydrophobicContact CD1-CG2 3.63Å; I100-T133 HydrophobicContact CG1-CG2 3.86Å; I100-T133 HydrophobicContact CG2-CG2 4.17Å; I100-L136 HydrophobicContact CD1-CD2 4.08Å |
| 101 | E | 95.4 | Very high | 92 | Very high | 109 Ų | 109 | 74.9 Ų | 74.9 | 51% | 0.509 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -66.1 | -45.9 | -177.6 | -168.2 | -172.6 | 152.7 | 0 | 0 | 111.9 | Q97 C98 K104 K105 | Q97-E101 PolarHBondContact O-N 3.15Å; C98-E101 PolarHBondContact O-N 2.61Å; E101-K104 PolarHBondContact O-N 3.09Å; E101-K105 WeakPolarHBondContact O-CG 3.28Å; E101-K105 PolarHBondContact O-N 3.35Å; E101-K105 VanDerWaalsContact O-N 3.11Å; E101-K105 VanDerWaalsContact OE1-CE 3.3Å; E101-K105 WeakPolarHBondContact OE1-CE 2.99Å; E101-K105 IonicContact OE1-NZ 3.78Å; E101-K105 PolarHBondContact OE1-NZ 3.24Å |
| 102 | K | 94.9 | Very high | 91.4 | Very high | 139 Ų | 139 | 73 Ų | 73 | 60% | 0.604 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -58.8 | -50.4 | 178.3 | -177.1 | -177.3 | 177 | -176.3 | 0 | 111.3 | C98 K105 I106 | C98-K102 VanDerWaalsContact O-CB 3.27Å; C98-K102 WeakPolarHBondContact O-CB 3.2Å; C98-K102 PolarHBondContact O-N 2.68Å; K102-K105 WeakPolarHBondContact O-CB 3.39Å; K102-K105 PolarHBondContact O-N 2.84Å; K102-I106 PolarHBondContact O-N 2.96Å |
| 103 | N | 94.5 | Very high | 90.6 | Very high | 26 Ų | 26 | 77.5 Ų | 77.5 | 14% | 0.139 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -71.3 | -30.9 | -178 | -74.4 | -72.8 | 0 | 0 | 0 | 112.5 | A99 K105 I106 I107 A125 V128 V129 | A99-N103 WeakPolarHBondContact O-CB 3.24Å; A99-N103 PolarHBondContact O-N 3.28Å; A99-N103 PolarHBondContact O-ND2 3.25Å; N103-K105 VanDerWaalsContact C-N 3.32Å; N103-K105 PolarHBondContact O-N 3.22Å; N103-I106 PolarHBondContact O-N 3.23Å; N103-I107 WeakPolarHBondContact O-CD1 3.32Å; N103-I107 VanDerWaalsContact O-CG1 3.29Å; N103-I107 WeakPolarHBondContact O-CG1 3.41Å; N103-I107 PolarHBondContact O-N 3.5Å; N103-A125 HydrophobicContact CB-CB 3.98Å; N103-V128 WeakPolarHBondContact ND2-CG1 3.41Å; N103-V129 HydrophobicContact CB-CG2 3.46Å; N103-V129 VanDerWaalsContact CB-CG2 3.46Å |
| 104 | K | 94.8 | Very high | 90 | Very high | 101 Ų | 101 | 79.5 Ų | 79.5 | 44% | 0.439 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -61.4 | -38.5 | 169.9 | -80.7 | 177.4 | 177.5 | 179.4 | 0 | 112.7 | I100 E101 I107 Q108 V129 | I100-K104 HydrophobicContact CG2-CD 3.94Å; I100-K104 VanDerWaalsContact O-CB 3.31Å; I100-K104 WeakPolarHBondContact O-CB 3.47Å; I100-K104 VanDerWaalsContact O-CG 3.22Å; I100-K104 WeakPolarHBondContact O-CG 3.11Å; I100-K104 PolarHBondContact O-N 2.69Å; E101-K104 PolarHBondContact O-N 3.09Å; K104-I107 PolarHBondContact O-N 3.36Å; K104-Q108 VanDerWaalsContact O-CG 3.3Å; K104-Q108 WeakPolarHBondContact O-CG 3.46Å; K104-Q108 PolarHBondContact O-N 3.22Å; K104-V129 HydrophobicContact CG-CG1 4.46Å; K104-V129 HydrophobicContact CG-CG2 4.22Å |
| 105 | K | 93.6 | Very high | 89.6 | Confident | 114 Ų | 114 | 84 Ų | 84 | 50% | 0.496 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -63.1 | -42.1 | 175.2 | -70.9 | 172 | -176.2 | 167.5 | 0 | 111.4 | E101 K102 N103 Q108 Q109 | E101-K105 WeakPolarHBondContact O-CG 3.28Å; E101-K105 PolarHBondContact O-N 3.35Å; E101-K105 VanDerWaalsContact O-N 3.11Å; E101-K105 VanDerWaalsContact OE1-CE 3.3Å; E101-K105 WeakPolarHBondContact OE1-CE 2.99Å; E101-K105 IonicContact OE1-NZ 3.78Å; E101-K105 PolarHBondContact OE1-NZ 3.24Å; K102-K105 WeakPolarHBondContact O-CB 3.39Å; K102-K105 PolarHBondContact O-N 2.84Å; N103-K105 VanDerWaalsContact C-N 3.32Å; N103-K105 PolarHBondContact O-N 3.22Å; K105-Q108 PolarHBondContact O-N 2.82Å; K105-Q109 WeakPolarHBondContact O-CG 3.34Å; K105-Q109 PolarHBondContact O-N 3.43Å |
| 106 | I | 91.2 | Very high | 89.3 | Confident | 23 Ų | 23 | 85.3 Ų | 85.3 | 12% | 0.118 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -60.5 | -46.3 | 176.3 | -61.7 | 171.8 | 0 | 0 | 0 | 111 | K102 N103 Q108 Q109 E121 A125 | K102-I106 PolarHBondContact O-N 2.96Å; N103-I106 PolarHBondContact O-N 3.23Å; I106-Q108 PolarHBondContact O-N 3.2Å; I106-Q109 PolarHBondContact O-N 3.02Å; I106-Q109 VanDerWaalsContact O-N 3.16Å; I106-E121 HydrophobicContact CG2-CG 4Å; I106-A125 HydrophobicContact CB-CB 4.36Å; I106-A125 HydrophobicContact CG2-CB 4.24Å |
| 107 | I | 90 | Very high | 88.9 | Confident | 55 Ų | 55 | 90.8 Ų | 90.8 | 28% | 0.282 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -58.9 | -34.3 | 178.1 | -65.1 | 163.1 | 0 | 0 | 0 | 111.7 | N103 K104 A125 K126 V129 | N103-I107 WeakPolarHBondContact O-CD1 3.32Å; N103-I107 VanDerWaalsContact O-CG1 3.29Å; N103-I107 WeakPolarHBondContact O-CG1 3.41Å; N103-I107 PolarHBondContact O-N 3.5Å; K104-I107 PolarHBondContact O-N 3.36Å; I107-A125 HydrophobicContact CD1-CB 4.29Å; I107-A125 HydrophobicContact CG1-CB 3.93Å; I107-K126 HydrophobicContact CD1-CB 4.43Å; I107-K126 HydrophobicContact CD1-CG 3.76Å; I107-K126 HydrophobicContact CG1-CG 4.13Å; I107-V129 HydrophobicContact CD1-CG2 4.18Å |
| 108 | Q | 89.7 | Confident | 88.5 | Confident | 151 Ų | 151 | 89.1 Ų | 89.1 | 71% | 0.706 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -84.6 | -9.4 | -178.1 | -70.4 | 173.8 | 0.8 | 0 | 0 | 114.6 | K104 K105 I106 | K104-Q108 VanDerWaalsContact O-CG 3.3Å; K104-Q108 WeakPolarHBondContact O-CG 3.46Å; K104-Q108 PolarHBondContact O-N 3.22Å; K105-Q108 PolarHBondContact O-N 2.82Å; I106-Q108 PolarHBondContact O-N 3.2Å |
| 109 | Q | 85.7 | Confident | 88.2 | Confident | 109 Ų | 109 | 90.3 Ų | 90.3 | 51% | 0.509 | 47% | 0.469 | S | S | . | . | S | Bend | trans | -64.8 | 138.9 | 180 | -76.8 | 176 | -1.4 | 0 | 0 | 111.4 | K105 I106 K122 | K105-Q109 WeakPolarHBondContact O-CG 3.34Å; K105-Q109 PolarHBondContact O-N 3.43Å; I106-Q109 PolarHBondContact O-N 3.02Å; I106-Q109 VanDerWaalsContact O-N 3.16Å; Q109-K122 WeakPolarHBondContact O-CE 3.48Å; Q109-K122 PolarHBondContact O-NZ 2.79Å |
| 110 | P | 83.5 | Confident | 88.1 | Confident | 120 Ų | 120 | 92 Ų | 92 | 78% | 0.779 | 48% | 0.483 | S | S | * | . | P | Polyproline II helix | trans | -64.9 | 143.1 | 175.8 | 27.3 | -33 | 0 | 0 | 0 | 110.7 | G112 | P110-G112 PolarHBondContact O-N 3.35Š|
| 111 | S | 77.4 | Confident | 87.9 | Confident | 92 Ų | 92 | 96.1 Ų | 96.1 | 64% | 0.643 | 50% | 0.502 | S | S | * | . | P | Polyproline II helix | trans | -69.3 | 127.8 | 179.9 | -58.3 | 0 | 0 | 0 | 0 | 111.3 | E118 | S111-E118 WeakPolarHBondContact CA-OE2 3.4Š|
| 112 | G | 79.2 | Confident | 87.7 | Confident | 42 Ų | 42 | 92.5 Ų | 92.5 | 43% | 0.433 | 48% | 0.484 | S | S | . | . | trans | -98.8 | -158.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | P110 N114 E118 | P110-G112 PolarHBondContact O-N 3.35Å; G112-N114 VanDerWaalsContact C-N 3.3Å; G112-N114 PolarHBondContact O-N 2.79Å; G112-E118 WeakPolarHBondContact CA-OE1 3.31Å; G112-E118 VanDerWaalsContact N-CD 3.3Å; G112-E118 PolarHBondContact N-OE1 3.03Å; G112-E118 PolarHBondContact N-OE2 3.44Å | ||
| 113 | S | 76.2 | Confident | 87.6 | Confident | 134 Ų | 134 | 88.6 Ų | 88.6 | 94% | 0.937 | 47% | 0.47 | S | S | * | . | S | Bend | trans | -68.6 | -23.9 | -174.2 | -45.5 | 0 | 0 | 0 | 0 | 113.8 | ||
| 114 | N | 80.7 | Confident | 87.6 | Confident | 75 Ų | 75 | 92.9 Ų | 92.9 | 40% | 0.401 | 49% | 0.489 | S | S | . | . | trans | -110.5 | 62.3 | -177.1 | -161.9 | 1.2 | 0 | 0 | 0 | 111.9 | G112 L116 E117 E118 | G112-N114 VanDerWaalsContact C-N 3.3Å; G112-N114 PolarHBondContact O-N 2.79Å; N114-L116 VanDerWaalsContact C-N 3.25Å; N114-L116 PolarHBondContact O-N 3.16Å; N114-L116 VanDerWaalsContact O-N 3.14Å; N114-E117 PolarHBondContact ND2-OE1 3.38Å; N114-E117 PolarHBondContact ND2-OE2 3.33Å; N114-E117 PolarHBondContact O-N 3.48Å; N114-E118 WeakPolarHBondContact O-CG 3.37Å; N114-E118 PolarHBondContact O-N 3.34Å | ||
| 115 | W | 84.4 | Confident | 87.6 | Confident | 171 Ų | 171 | 88.1 Ų | 88.1 | 65% | 0.648 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -59 | -27.7 | -170.8 | 68.7 | -90.2 | 0 | 0 | 0 | 115.1 | H119 | W115-H119 WeakPolarHBondContact O-CB 3.36Å; W115-H119 PolarHBondContact O-N 2.82Å |
| 116 | L | 88.5 | Confident | 87.6 | Confident | 112 Ų | 112 | 87.4 Ų | 87.4 | 59% | 0.586 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -71.9 | -47.2 | -176.9 | -177 | 66.6 | 0 | 0 | 0 | 111.7 | N114 H119 A120 | N114-L116 VanDerWaalsContact C-N 3.25Å; N114-L116 PolarHBondContact O-N 3.16Å; N114-L116 VanDerWaalsContact O-N 3.14Å; L116-H119 PolarHBondContact O-N 2.84Å; L116-A120 PolarHBondContact O-N 3.47Å |
| 117 | E | 86.9 | Confident | 87.8 | Confident | 134 Ų | 134 | 89.9 Ų | 89.9 | 63% | 0.626 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -65.2 | -42.7 | 175.8 | -75.3 | 173.1 | -155.1 | 0 | 0 | 111.1 | N114 H119 A120 E121 | N114-E117 PolarHBondContact ND2-OE1 3.38Å; N114-E117 PolarHBondContact ND2-OE2 3.33Å; N114-E117 PolarHBondContact O-N 3.48Å; E117-H119 VanDerWaalsContact C-N 3.29Å; E117-H119 PolarHBondContact O-N 3.01Å; E117-A120 PolarHBondContact O-N 3.49Å; E117-E121 PolarHBondContact O-N 3.47Å |
| 118 | E | 87.2 | Confident | 88 | Confident | 43 Ų | 43 | 89 Ų | 89 | 20% | 0.201 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -61.3 | -36.9 | 176.4 | -68.5 | 170.8 | -167 | 0 | 0 | 112.3 | S111 G112 N114 K122 | S111-E118 WeakPolarHBondContact CA-OE2 3.4Å; G112-E118 WeakPolarHBondContact CA-OE1 3.31Å; G112-E118 VanDerWaalsContact N-CD 3.3Å; G112-E118 PolarHBondContact N-OE1 3.03Å; G112-E118 PolarHBondContact N-OE2 3.44Å; N114-E118 WeakPolarHBondContact O-CG 3.37Å; N114-E118 PolarHBondContact O-N 3.34Å; E118-K122 WeakPolarHBondContact O-CB 2.99Å; E118-K122 WeakPolarHBondContact O-CG 3.38Å; E118-K122 PolarHBondContact O-N 2.84Å |
| 119 | H | 89.5 | Confident | 88.3 | Confident | 102 Ų | 102 | 82.7 Ų | 82.7 | 47% | 0.472 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -65.7 | -46.2 | 176.7 | -170.3 | 67 | 0 | 0 | 0 | 111.5 | W115 L116 E117 E121 K122 D123 | W115-H119 WeakPolarHBondContact O-CB 3.36Å; W115-H119 PolarHBondContact O-N 2.82Å; L116-H119 PolarHBondContact O-N 2.84Å; E117-H119 VanDerWaalsContact C-N 3.29Å; E117-H119 PolarHBondContact O-N 3.01Å; H119-E121 VanDerWaalsContact C-N 3.34Å; H119-E121 PolarHBondContact O-N 2.89Å; H119-K122 PolarHBondContact O-N 3.42Å; H119-D123 IonicContact CD2-OD2 2.69Å; H119-D123 IonicContact CE1-OD2 3.54Å; H119-D123 IonicContact NE2-OD2 2.61Å; H119-D123 PolarHBondContact NE2-OD2 3.06Å; H119-D123 PolarHBondContact O-N 2.98Å |
| 120 | A | 91.3 | Very high | 88.7 | Confident | 63 Ų | 63 | 84.1 Ų | 84.1 | 52% | 0.521 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -61.3 | -41.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112 | L116 E117 D123 Q124 | L116-A120 PolarHBondContact O-N 3.47Å; E117-A120 PolarHBondContact O-N 3.49Å; A120-D123 PolarHBondContact O-N 3.47Å; A120-Q124 PolarHBondContact O-N 3Å |
| 121 | E | 90.6 | Very high | 89.2 | Confident | 103 Ų | 103 | 84.4 Ų | 84.4 | 48% | 0.481 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -63.7 | -44.3 | 176.1 | -169.4 | -176.6 | 179.3 | 0 | 0 | 111.8 | I106 E117 H119 D123 Q124 A125 | I106-E121 HydrophobicContact CG2-CG 4Å; E117-E121 PolarHBondContact O-N 3.47Å; H119-E121 VanDerWaalsContact C-N 3.34Å; H119-E121 PolarHBondContact O-N 2.89Å; E121-D123 VanDerWaalsContact C-N 3.35Å; E121-D123 PolarHBondContact O-N 3.05Å; E121-Q124 PolarHBondContact O-N 3.49Å; E121-A125 VanDerWaalsContact O-CB 3.3Å; E121-A125 WeakPolarHBondContact O-CB 3.24Å; E121-A125 PolarHBondContact O-N 3.13Å |
| 122 | K | 92.2 | Very high | 90 | Very high | 33 Ų | 33 | 80.7 Ų | 80.7 | 14% | 0.143 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -63.7 | -38.6 | 177.1 | -74.6 | 177.1 | -178.3 | 178.6 | 0 | 112.3 | Q109 E118 H119 A125 K126 | Q109-K122 WeakPolarHBondContact O-CE 3.48Å; Q109-K122 PolarHBondContact O-NZ 2.79Å; E118-K122 WeakPolarHBondContact O-CB 2.99Å; E118-K122 WeakPolarHBondContact O-CG 3.38Å; E118-K122 PolarHBondContact O-N 2.84Å; H119-K122 PolarHBondContact O-N 3.42Å; K122-A125 PolarHBondContact O-N 3.01Å; K122-K126 WeakPolarHBondContact O-CG 3.28Å; K122-K126 PolarHBondContact O-N 2.9Å |
| 123 | D | 92.8 | Very high | 90.8 | Very high | 58 Ų | 58 | 80.7 Ų | 80.7 | 31% | 0.31 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -69.1 | -41.4 | 177.6 | -75.6 | -15 | 0 | 0 | 0 | 111.7 | H119 A120 E121 A125 K126 I127 | H119-D123 IonicContact CD2-OD2 2.69Å; H119-D123 IonicContact CE1-OD2 3.54Å; H119-D123 IonicContact NE2-OD2 2.61Å; H119-D123 PolarHBondContact NE2-OD2 3.06Å; H119-D123 PolarHBondContact O-N 2.98Å; A120-D123 PolarHBondContact O-N 3.47Å; E121-D123 VanDerWaalsContact C-N 3.35Å; E121-D123 PolarHBondContact O-N 3.05Å; D123-A125 VanDerWaalsContact C-N 3.33Å; D123-A125 PolarHBondContact O-N 3.48Å; D123-K126 WeakPolarHBondContact O-CB 3.5Å; D123-K126 PolarHBondContact O-N 3.12Å; D123-K126 IonicContact OD1-NZ 2.73Å; D123-K126 PolarHBondContact OD1-NZ 3.37Å; D123-I127 WeakPolarHBondContact O-CG1 3.38Å; D123-I127 PolarHBondContact O-N 2.96Å; D123-I127 VanDerWaalsContact O-N 3.15Å |
| 124 | Q | 94.4 | Very high | 91.6 | Very high | 115 Ų | 115 | 77.7 Ų | 77.7 | 54% | 0.537 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -61.4 | -42.6 | 171.7 | -172.9 | 61.6 | 21.6 | 0 | 0 | 111.6 | A120 E121 K126 I127 V128 | A120-Q124 PolarHBondContact O-N 3Å; E121-Q124 PolarHBondContact O-N 3.49Å; Q124-K126 VanDerWaalsContact C-N 3.32Å; Q124-K126 PolarHBondContact O-N 2.91Å; Q124-I127 PolarHBondContact O-N 3.26Å; Q124-V128 WeakPolarHBondContact O-CG2 3.37Å; Q124-V128 PolarHBondContact O-N 3.06Å |
| 125 | A | 93.9 | Very high | 92.1 | Very high | 2 Ų | 2 | 79.5 Ų | 79.5 | 2% | 0.017 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -61.2 | -38.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | N103 I106 I107 E121 K122 D123 V128 V129 | N103-A125 HydrophobicContact CB-CB 3.98Å; I106-A125 HydrophobicContact CB-CB 4.36Å; I106-A125 HydrophobicContact CG2-CB 4.24Å; I107-A125 HydrophobicContact CD1-CB 4.29Å; I107-A125 HydrophobicContact CG1-CB 3.93Å; E121-A125 VanDerWaalsContact O-CB 3.3Å; E121-A125 WeakPolarHBondContact O-CB 3.24Å; E121-A125 PolarHBondContact O-N 3.13Å; K122-A125 PolarHBondContact O-N 3.01Å; D123-A125 VanDerWaalsContact C-N 3.33Å; D123-A125 PolarHBondContact O-N 3.48Å; A125-V128 PolarHBondContact O-N 3.38Å; A125-V129 VanDerWaalsContact O-CG2 3.27Å; A125-V129 WeakPolarHBondContact O-CG2 3.38Å; A125-V129 PolarHBondContact O-N 2.65Å |
| 126 | K | 95.2 | Very high | 92.6 | Very high | 98 Ų | 98 | 71.8 Ų | 71.8 | 43% | 0.426 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -61.1 | -46.2 | 174.3 | -72.7 | 169.6 | -163.5 | 158.3 | 0 | 111.7 | I107 K122 D123 Q124 V128 V129 E130 | I107-K126 HydrophobicContact CD1-CB 4.43Å; I107-K126 HydrophobicContact CD1-CG 3.76Å; I107-K126 HydrophobicContact CG1-CG 4.13Å; K122-K126 WeakPolarHBondContact O-CG 3.28Å; K122-K126 PolarHBondContact O-N 2.9Å; D123-K126 WeakPolarHBondContact O-CB 3.5Å; D123-K126 PolarHBondContact O-N 3.12Å; D123-K126 IonicContact OD1-NZ 2.73Å; D123-K126 PolarHBondContact OD1-NZ 3.37Å; Q124-K126 VanDerWaalsContact C-N 3.32Å; Q124-K126 PolarHBondContact O-N 2.91Å; K126-V128 VanDerWaalsContact C-N 3.35Å; K126-V128 PolarHBondContact O-N 3.47Å; K126-V129 PolarHBondContact O-N 3.13Å; K126-E130 WeakPolarHBondContact O-CB 3.38Å; K126-E130 PolarHBondContact O-N 3Å |
| 127 | I | 95.1 | Very high | 92.8 | Very high | 75 Ų | 75 | 70.7 Ų | 70.7 | 39% | 0.385 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -59.9 | -46.6 | 178.5 | -65 | 167.3 | 0 | 0 | 0 | 110.4 | D123 Q124 V129 E130 Q131 | D123-I127 WeakPolarHBondContact O-CG1 3.38Å; D123-I127 PolarHBondContact O-N 2.96Å; D123-I127 VanDerWaalsContact O-N 3.15Å; Q124-I127 PolarHBondContact O-N 3.26Å; I127-V129 PolarHBondContact O-N 3.45Å; I127-E130 PolarHBondContact O-N 3.46Å; I127-Q131 HydrophobicContact CG2-CG 4.42Å; I127-Q131 WeakPolarHBondContact O-CG 3.26Å; I127-Q131 PolarHBondContact O-N 3.05Å |
| 128 | V | 94.5 | Very high | 93 | Very high | 37 Ų | 37 | 66.5 Ų | 66.5 | 22% | 0.224 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -62.8 | -41.7 | 178.7 | 174.2 | 0 | 0 | 0 | 0 | 111.6 | N103 Q124 A125 K126 S132 | N103-V128 WeakPolarHBondContact ND2-CG1 3.41Å; Q124-V128 WeakPolarHBondContact O-CG2 3.37Å; Q124-V128 PolarHBondContact O-N 3.06Å; A125-V128 PolarHBondContact O-N 3.38Å; K126-V128 VanDerWaalsContact C-N 3.35Å; K126-V128 PolarHBondContact O-N 3.47Å; V128-S132 WeakPolarHBondContact O-CB 3.37Å; V128-S132 PolarHBondContact O-N 2.89Å; V128-S132 PolarHBondContact O-OG 2.93Å |
| 129 | V | 95.4 | Very high | 93.1 | Very high | 18 Ų | 18 | 65.1 Ų | 65.1 | 11% | 0.109 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -61.3 | -49.2 | 175.8 | 170 | 0 | 0 | 0 | 0 | 110.4 | I100 N103 K104 I107 A125 K126 I127 S132 T133 | I100-V129 HydrophobicContact CG2-CG1 4.49Å; N103-V129 HydrophobicContact CB-CG2 3.46Å; N103-V129 VanDerWaalsContact CB-CG2 3.46Å; K104-V129 HydrophobicContact CG-CG1 4.46Å; K104-V129 HydrophobicContact CG-CG2 4.22Å; I107-V129 HydrophobicContact CD1-CG2 4.18Å; A125-V129 VanDerWaalsContact O-CG2 3.27Å; A125-V129 WeakPolarHBondContact O-CG2 3.38Å; A125-V129 PolarHBondContact O-N 2.65Å; K126-V129 PolarHBondContact O-N 3.13Å; I127-V129 PolarHBondContact O-N 3.45Å; V129-S132 PolarHBondContact O-N 3.26Å; V129-T133 HydrophobicContact CG1-CG2 4.14Å; V129-T133 WeakPolarHBondContact O-CB 3.21Å; V129-T133 VanDerWaalsContact O-CG2 3.23Å; V129-T133 WeakPolarHBondContact O-CG2 3.24Å; V129-T133 PolarHBondContact O-N 2.65Å; V129-T133 PolarHBondContact O-OG1 3.22Å |
| 130 | E | 94.9 | Very high | 93.2 | Very high | 139 Ų | 139 | 66.1 Ų | 66.1 | 65% | 0.65 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -57 | -55 | 179.9 | -175.1 | 172.4 | -168.8 | 0 | 0 | 111.3 | K126 I127 S132 T133 D134 | K126-E130 WeakPolarHBondContact O-CB 3.38Å; K126-E130 PolarHBondContact O-N 3Å; I127-E130 PolarHBondContact O-N 3.46Å; E130-S132 PolarHBondContact O-N 3.28Å; E130-T133 PolarHBondContact O-N 3.46Å; E130-T133 PolarHBondContact O-OG1 3Å; E130-D134 WeakPolarHBondContact O-CB 3.41Å; E130-D134 PolarHBondContact O-N 3.07Å |
| 131 | Q | 93.3 | Very high | 93.2 | Very high | 126 Ų | 126 | 68.9 Ų | 68.9 | 59% | 0.589 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -59.6 | -42.8 | 178.9 | -69.5 | 178.3 | -7.4 | 0 | 0 | 112.9 | I127 D134 R135 | I127-Q131 HydrophobicContact CG2-CG 4.42Å; I127-Q131 WeakPolarHBondContact O-CG 3.26Å; I127-Q131 PolarHBondContact O-N 3.05Å; Q131-D134 PolarHBondContact O-N 3.35Å; Q131-R135 WeakPolarHBondContact O-CB 3.37Å; Q131-R135 PolarHBondContact O-N 3.07Å |
| 132 | S | 94.1 | Very high | 93.1 | Very high | 14 Ų | 14 | 64.8 Ų | 64.8 | 10% | 0.098 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -68.4 | -39.9 | -179.8 | -58.3 | 0 | 0 | 0 | 0 | 111.6 | V128 V129 E130 L136 | V128-S132 WeakPolarHBondContact O-CB 3.37Å; V128-S132 PolarHBondContact O-N 2.89Å; V128-S132 PolarHBondContact O-OG 2.93Å; V129-S132 PolarHBondContact O-N 3.26Å; E130-S132 PolarHBondContact O-N 3.28Å; S132-L136 WeakPolarHBondContact O-CB 3.13Å; S132-L136 PolarHBondContact O-N 2.94Å |
| 133 | T | 95.2 | Very high | 92.9 | Very high | 42 Ų | 42 | 68 Ų | 68 | 26% | 0.258 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -66.8 | -42.1 | 175.8 | 55.9 | 0 | 0 | 0 | 0 | 112.2 | I100 V129 E130 L136 N137 | I100-T133 HydrophobicContact CD1-CG2 3.63Å; I100-T133 HydrophobicContact CG1-CG2 3.86Å; I100-T133 HydrophobicContact CG2-CG2 4.17Å; V129-T133 HydrophobicContact CG1-CG2 4.14Å; V129-T133 WeakPolarHBondContact O-CB 3.21Å; V129-T133 VanDerWaalsContact O-CG2 3.23Å; V129-T133 WeakPolarHBondContact O-CG2 3.24Å; V129-T133 PolarHBondContact O-N 2.65Å; V129-T133 PolarHBondContact O-OG1 3.22Å; E130-T133 PolarHBondContact O-N 3.46Å; E130-T133 PolarHBondContact O-OG1 3Å; T133-L136 PolarHBondContact O-N 2.78Å; T133-N137 WeakPolarHBondContact O-CB 3.33Å; T133-N137 PolarHBondContact O-N 3.42Å; T133-N137 PolarHBondContact O-ND2 2.82Å |
| 134 | D | 93.4 | Very high | 92.8 | Very high | 71 Ų | 71 | 72.6 Ų | 72.6 | 38% | 0.38 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -60.2 | -50.4 | 175.8 | 178 | 56.7 | 0 | 0 | 0 | 110.9 | E130 Q131 L136 N137 K138 | E130-D134 WeakPolarHBondContact O-CB 3.41Å; E130-D134 PolarHBondContact O-N 3.07Å; Q131-D134 PolarHBondContact O-N 3.35Å; D134-L136 PolarHBondContact O-N 3.24Å; D134-N137 PolarHBondContact O-N 2.97Å; D134-N137 VanDerWaalsContact O-N 3.16Å; D134-K138 WeakPolarHBondContact O-CG 3.37Å; D134-K138 PolarHBondContact O-N 3.06Å; D134-K138 WeakPolarHBondContact OD1-CE 3.31Å; D134-K138 IonicContact OD1-NZ 2.71Å; D134-K138 WeakPolarHBondContact OD2-CD 3.37Å; D134-K138 WeakPolarHBondContact OD2-CE 3.2Å; D134-K138 IonicContact OD2-NZ 3.56Å; D134-K138 PolarHBondContact OD2-NZ 3.34Å |
| 135 | R | 92.3 | Very high | 92.6 | Very high | 113 Ų | 113 | 73 Ų | 73 | 43% | 0.426 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -58 | -45.9 | 177.4 | -172.4 | 172.7 | -179.3 | 178.7 | 2.3 | 112.1 | L96 Q131 N137 K138 I139 | L96-R135 HydrophobicContact CD1-CB 4.39Å; L96-R135 HydrophobicContact CD1-CG 4.04Å; L96-R135 HydrophobicContact CD2-CB 4.47Å; Q131-R135 WeakPolarHBondContact O-CB 3.37Å; Q131-R135 PolarHBondContact O-N 3.07Å; R135-N137 VanDerWaalsContact C-N 3.34Å; R135-N137 PolarHBondContact O-N 3.06Å; R135-K138 PolarHBondContact O-N 2.95Å; R135-I139 HydrophobicContact CG-CD1 4.28Å; R135-I139 VanDerWaalsContact O-CG1 3.3Å; R135-I139 WeakPolarHBondContact O-CG1 3.39Å; R135-I139 PolarHBondContact O-N 3.24Å |
| 136 | L | 93 | Very high | 92.3 | Very high | 9 Ų | 9 | 73.2 Ų | 73.2 | 5% | 0.047 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -63.8 | -39.1 | 178.2 | -176 | 62 | 0 | 0 | 0 | 112.1 | E93 L96 Q97 I100 S132 T133 D134 R140 | E93-L136 HydrophobicContact CB-CD1 4.47Å; E93-L136 HydrophobicContact CG-CD1 4.15Å; L96-L136 HydrophobicContact CD1-CB 4.42Å; Q97-L136 HydrophobicContact CG-CD2 3.93Å; I100-L136 HydrophobicContact CD1-CD2 4.08Å; S132-L136 WeakPolarHBondContact O-CB 3.13Å; S132-L136 PolarHBondContact O-N 2.94Å; T133-L136 PolarHBondContact O-N 2.78Å; D134-L136 PolarHBondContact O-N 3.24Å; L136-R140 WeakPolarHBondContact O-CG 3.33Å; L136-R140 PolarHBondContact O-N 3.24Å; L136-R140 VanDerWaalsContact O-N 3.12Å |
| 137 | N | 93.3 | Very high | 92 | Very high | 90 Ų | 90 | 73 Ų | 73 | 48% | 0.481 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -67.8 | -42.8 | 176.8 | -73.9 | -24.1 | 0 | 0 | 0 | 111.8 | T133 D134 R135 I139 R140 L141 | T133-N137 WeakPolarHBondContact O-CB 3.33Å; T133-N137 PolarHBondContact O-N 3.42Å; T133-N137 PolarHBondContact O-ND2 2.82Å; D134-N137 PolarHBondContact O-N 2.97Å; D134-N137 VanDerWaalsContact O-N 3.16Å; R135-N137 VanDerWaalsContact C-N 3.34Å; R135-N137 PolarHBondContact O-N 3.06Å; N137-I139 VanDerWaalsContact C-N 3.35Å; N137-I139 PolarHBondContact O-N 3.14Å; N137-R140 PolarHBondContact O-N 3.37Å; N137-L141 VanDerWaalsContact O-CB 3.31Å; N137-L141 WeakPolarHBondContact O-CB 3.49Å; N137-L141 PolarHBondContact O-N 3.34Å |
| 138 | K | 91.5 | Very high | 91.7 | Very high | 46 Ų | 46 | 74 Ų | 74 | 20% | 0.2 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -58.3 | -44.6 | 174.7 | -75.1 | 174.3 | 173 | 164.3 | 0 | 111.4 | D134 R135 R140 L141 A142 D207 Y209 | D134-K138 WeakPolarHBondContact O-CG 3.37Å; D134-K138 PolarHBondContact O-N 3.06Å; D134-K138 WeakPolarHBondContact OD1-CE 3.31Å; D134-K138 IonicContact OD1-NZ 2.71Å; D134-K138 WeakPolarHBondContact OD2-CD 3.37Å; D134-K138 WeakPolarHBondContact OD2-CE 3.2Å; D134-K138 IonicContact OD2-NZ 3.56Å; D134-K138 PolarHBondContact OD2-NZ 3.34Å; R135-K138 PolarHBondContact O-N 2.95Å; K138-R140 PolarHBondContact O-N 2.88Å; K138-L141 PolarHBondContact O-N 3.16Å; K138-A142 WeakPolarHBondContact O-CB 3.26Å; K138-A142 PolarHBondContact O-N 2.54Å; K138-D207 IonicContact NZ-OD1 2.71Å; K138-D207 PolarHBondContact NZ-OD1 3.31Å; K138-D207 IonicContact NZ-OD2 2.74Å; K138-D207 PolarHBondContact NZ-OD2 3.16Å; K138-Y209 HydrophobicContact CB-CD2 3.63Å; K138-Y209 HydrophobicContact CB-CE2 4Å; K138-Y209 HydrophobicContact CB-CG 4.29Å |
| 139 | I | 90.1 | Very high | 91.4 | Very high | 14 Ų | 14 | 72.6 Ų | 72.6 | 7% | 0.072 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -57.8 | -50.3 | 174.8 | -67.4 | 162.5 | 0 | 0 | 0 | 111.4 | L96 R135 N137 A142 R143 Y209 | L96-I139 HydrophobicContact CD1-CD1 4Å; R135-I139 HydrophobicContact CG-CD1 4.28Å; R135-I139 VanDerWaalsContact O-CG1 3.3Å; R135-I139 WeakPolarHBondContact O-CG1 3.39Å; R135-I139 PolarHBondContact O-N 3.24Å; N137-I139 VanDerWaalsContact C-N 3.35Å; N137-I139 PolarHBondContact O-N 3.14Å; I139-A142 PolarHBondContact O-N 3.06Å; I139-R143 PolarHBondContact O-N 3.21Å; I139-R143 VanDerWaalsContact O-N 3.12Å; I139-Y209 WeakPolarHBondContact CA-OH 3.32Å; I139-Y209 HydrophobicContact CG1-CE2 3.93Å; I139-Y209 VanDerWaalsContact CG1-OH 3.27Å; I139-Y209 WeakPolarHBondContact CG1-OH 3.38Å |
| 140 | R | 91.6 | Very high | 91 | Very high | 122 Ų | 122 | 73.8 Ų | 73.8 | 46% | 0.46 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -65.9 | -41.8 | -177.7 | -72.5 | 173 | 175.9 | 174.4 | -1.9 | 112.5 | L136 N137 K138 R143 K144 | L136-R140 WeakPolarHBondContact O-CG 3.33Å; L136-R140 PolarHBondContact O-N 3.24Å; L136-R140 VanDerWaalsContact O-N 3.12Å; N137-R140 PolarHBondContact O-N 3.37Å; K138-R140 PolarHBondContact O-N 2.88Å; R140-R143 PolarHBondContact O-N 3.33Å; R140-K144 WeakPolarHBondContact O-CB 3.25Å; R140-K144 PolarHBondContact O-N 2.89Å |
| 141 | L | 91.2 | Very high | 90.7 | Very high | 122 Ų | 122 | 70.4 Ų | 70.4 | 64% | 0.639 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -64.3 | -44.6 | 178.5 | -178.4 | 62.7 | 0 | 0 | 0 | 111.1 | N137 K138 K144 R145 | N137-L141 VanDerWaalsContact O-CB 3.31Å; N137-L141 WeakPolarHBondContact O-CB 3.49Å; N137-L141 PolarHBondContact O-N 3.34Å; K138-L141 PolarHBondContact O-N 3.16Å; L141-K144 PolarHBondContact O-N 2.91Å; L141-R145 WeakPolarHBondContact O-CB 3.3Å; L141-R145 PolarHBondContact O-N 3.35Å |
| 142 | A | 88 | Confident | 90.4 | Very high | 17 Ų | 17 | 68.4 Ų | 68.4 | 14% | 0.14 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -60.4 | -46.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | K138 I139 K144 R145 L146 Y209 | K138-A142 WeakPolarHBondContact O-CB 3.26Å; K138-A142 PolarHBondContact O-N 2.54Å; I139-A142 PolarHBondContact O-N 3.06Å; A142-K144 PolarHBondContact O-N 3.22Å; A142-R145 PolarHBondContact O-N 3.1Å; A142-L146 WeakPolarHBondContact O-CG 3.34Å; A142-L146 PolarHBondContact O-N 2.67Å; A142-Y209 HydrophobicContact CB-CD1 3.83Å; A142-Y209 HydrophobicContact CB-CE1 3.46Å; A142-Y209 VanDerWaalsContact CB-CE1 3.46Å |
| 143 | R | 88 | Confident | 90.1 | Very high | 99 Ų | 99 | 68.2 Ų | 68.2 | 37% | 0.374 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -58.8 | -49.3 | 175.7 | -74.9 | -174.8 | -177.3 | 159.1 | 8.9 | 112.4 | E93 I139 R140 R145 L146 D147 | E93-R143 IonicContact OE1-CZ 3.68Å; E93-R143 IonicContact OE1-NH1 2.69Å; E93-R143 PolarHBondContact OE1-NH1 3.48Å; E93-R143 IonicContact OE1-NH2 2.79Å; E93-R143 PolarHBondContact OE1-NH2 3.09Å; E93-R143 IonicContact OE2-NH1 2.62Å; I139-R143 PolarHBondContact O-N 3.21Å; I139-R143 VanDerWaalsContact O-N 3.12Å; R140-R143 PolarHBondContact O-N 3.33Å; R143-R145 VanDerWaalsContact C-N 3.26Å; R143-R145 PolarHBondContact O-N 3.18Å; R143-L146 PolarHBondContact O-N 3.36Å; R143-L146 VanDerWaalsContact O-N 3.14Å; R143-D147 PolarHBondContact O-N 3.43Å |
| 144 | K | 90.3 | Very high | 89.6 | Confident | 156 Ų | 156 | 70.2 Ų | 70.2 | 68% | 0.678 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -58.9 | -38.5 | 178.3 | -173.8 | 180 | 179.3 | -177.7 | 0 | 112.1 | R140 L141 A142 Q148 | R140-K144 WeakPolarHBondContact O-CB 3.25Å; R140-K144 PolarHBondContact O-N 2.89Å; L141-K144 PolarHBondContact O-N 2.91Å; A142-K144 PolarHBondContact O-N 3.22Å; K144-Q148 PolarHBondContact O-N 3.24Å; K144-Q148 VanDerWaalsContact O-N 3.12Å |
| 145 | R | 89.6 | Confident | 89.3 | Confident | 122 Ų | 122 | 71.7 Ų | 71.7 | 46% | 0.46 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -64.5 | -46.1 | 176.4 | 178.1 | 60 | 179.3 | 168.5 | 5.8 | 111.3 | L141 A142 R143 Q148 V149 E309 | L141-R145 WeakPolarHBondContact O-CB 3.3Å; L141-R145 PolarHBondContact O-N 3.35Å; A142-R145 PolarHBondContact O-N 3.1Å; R143-R145 VanDerWaalsContact C-N 3.26Å; R143-R145 PolarHBondContact O-N 3.18Å; R145-Q148 WeakPolarHBondContact O-CB 3.4Å; R145-Q148 PolarHBondContact O-N 2.64Å; R145-V149 WeakPolarHBondContact O-CG2 3.42Å; R145-V149 PolarHBondContact O-N 3.13Å; R145-E309 IonicContact CZ-OE1 3.03Å; R145-E309 IonicContact CZ-OE2 3.94Å; R145-E309 IonicContact NE-OE1 3.47Å; R145-E309 PolarHBondContact NE-OE1 2.83Å; R145-E309 IonicContact NE-OE2 2.78Å; R145-E309 PolarHBondContact NE-OE2 3.01Å; R145-E309 IonicContact NH2-OE1 3.87Å; R145-E309 IonicContact NH2-OE2 2.91Å; R145-E309 PolarHBondContact NH2-OE2 3.29Å |
| 146 | L | 87.7 | Confident | 88.8 | Confident | 7 Ų | 7 | 70.2 Ų | 70.2 | 4% | 0.037 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -67.2 | -37.7 | 179.9 | -67.2 | 171.6 | 0 | 0 | 0 | 112.3 | A142 R143 Q148 V149 K150 H242 L312 | A142-L146 WeakPolarHBondContact O-CG 3.34Å; A142-L146 PolarHBondContact O-N 2.67Å; R143-L146 PolarHBondContact O-N 3.36Å; R143-L146 VanDerWaalsContact O-N 3.14Å; L146-Q148 VanDerWaalsContact C-N 3.34Å; L146-Q148 PolarHBondContact O-N 3.5Å; L146-V149 PolarHBondContact O-N 3.44Å; L146-K150 WeakPolarHBondContact O-CB 3.31Å; L146-K150 PolarHBondContact O-N 2.9Å; L146-H242 WeakPolarHBondContact CD1-NE2 3.41Å; L146-L312 HydrophobicContact CD2-CD1 3.55Å |
| 147 | D | 88.8 | Confident | 88.3 | Confident | 93 Ų | 93 | 73.3 Ų | 73.3 | 50% | 0.497 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -59.8 | -45.3 | 172.5 | -72.1 | -27.1 | 0 | 0 | 0 | 111.3 | R143 K150 T151 | R143-D147 PolarHBondContact O-N 3.43Å; D147-K150 WeakPolarHBondContact O-CB 3.47Å; D147-K150 PolarHBondContact O-N 3.46Å; D147-T151 WeakPolarHBondContact O-CG2 3.47Å; D147-T151 PolarHBondContact O-N 3.13Å |
| 148 | Q | 88.9 | Confident | 87.7 | Confident | 96 Ų | 96 | 74 Ų | 74 | 45% | 0.449 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -60 | -49.1 | 176.2 | -176 | 61.6 | 46.7 | 0 | 0 | 111.4 | K144 R145 L146 K150 T151 D152 | K144-Q148 PolarHBondContact O-N 3.24Å; K144-Q148 VanDerWaalsContact O-N 3.12Å; R145-Q148 WeakPolarHBondContact O-CB 3.4Å; R145-Q148 PolarHBondContact O-N 2.64Å; L146-Q148 VanDerWaalsContact C-N 3.34Å; L146-Q148 PolarHBondContact O-N 3.5Å; Q148-K150 VanDerWaalsContact C-N 3.27Å; Q148-K150 PolarHBondContact O-N 3.13Å; Q148-T151 PolarHBondContact NE2-OG1 2.87Å; Q148-T151 PolarHBondContact O-N 3.41Å; Q148-T151 PolarHBondContact O-OG1 2.92Å; Q148-D152 PolarHBondContact NE2-OD1 2.88Å; Q148-D152 VanDerWaalsContact O-CG 3.28Å; Q148-D152 PolarHBondContact O-N 3.33Å |
| 149 | V | 88.7 | Confident | 87 | Confident | 8 Ų | 8 | 74.2 Ų | 74.2 | 5% | 0.048 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -58.9 | -40.6 | 178.9 | 171.1 | 0 | 0 | 0 | 0 | 111.3 | R145 L146 D152 L153 E309 E310 | R145-V149 WeakPolarHBondContact O-CG2 3.42Å; R145-V149 PolarHBondContact O-N 3.13Å; L146-V149 PolarHBondContact O-N 3.44Å; V149-D152 PolarHBondContact O-N 3.24Å; V149-L153 HydrophobicContact CG1-CD1 4.34Å; V149-L153 WeakPolarHBondContact O-CB 3.43Å; V149-L153 WeakPolarHBondContact O-CG 3.49Å; V149-L153 PolarHBondContact O-N 3.05Å; V149-E309 HydrophobicContact CG1-CB 4.07Å; V149-E309 HydrophobicContact CG2-CB 4.01Å; V149-E310 HydrophobicContact CG1-CG 4.17Å |
| 150 | K | 88 | Confident | 86 | Confident | 44 Ų | 44 | 75.8 Ų | 75.8 | 19% | 0.191 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -62.3 | -42.4 | 175.5 | -169 | 179.8 | -178.3 | -173.3 | 0 | 112 | L146 D147 Q148 L153 N154 D239 | L146-K150 WeakPolarHBondContact O-CB 3.31Å; L146-K150 PolarHBondContact O-N 2.9Å; D147-K150 WeakPolarHBondContact O-CB 3.47Å; D147-K150 PolarHBondContact O-N 3.46Å; Q148-K150 VanDerWaalsContact C-N 3.27Å; Q148-K150 PolarHBondContact O-N 3.13Å; K150-L153 PolarHBondContact O-N 3.39Å; K150-N154 PolarHBondContact O-N 3.42Å; K150-D239 VanDerWaalsContact NZ-CG 3.34Å; K150-D239 PolarHBondContact NZ-O 3.02Å; K150-D239 IonicContact NZ-OD1 3.09Å; K150-D239 PolarHBondContact NZ-OD1 2.88Å |
| 151 | T | 88.2 | Confident | 84.7 | Confident | 68 Ų | 68 | 75.9 Ų | 75.9 | 42% | 0.417 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -63.6 | -43.7 | 175.8 | 59.8 | 0 | 0 | 0 | 0 | 112 | D147 Q148 L153 N154 V155 | D147-T151 WeakPolarHBondContact O-CG2 3.47Å; D147-T151 PolarHBondContact O-N 3.13Å; Q148-T151 PolarHBondContact NE2-OG1 2.87Å; Q148-T151 PolarHBondContact O-N 3.41Å; Q148-T151 PolarHBondContact O-OG1 2.92Å; T151-L153 VanDerWaalsContact C-N 3.34Å; T151-L153 PolarHBondContact O-N 3.45Å; T151-N154 PolarHBondContact O-N 3.18Å; T151-V155 WeakPolarHBondContact O-CG2 3.45Å; T151-V155 PolarHBondContact O-N 3.24Å |
| 152 | D | 87.8 | Confident | 82.9 | Confident | 84 Ų | 84 | 79 Ų | 79 | 45% | 0.449 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -63.1 | -41.7 | 179.2 | -63.8 | -22.2 | 0 | 0 | 0 | 111.1 | Q148 V149 V155 Y156 | Q148-D152 PolarHBondContact NE2-OD1 2.88Å; Q148-D152 VanDerWaalsContact O-CG 3.28Å; Q148-D152 PolarHBondContact O-N 3.33Å; V149-D152 PolarHBondContact O-N 3.24Å; D152-V155 PolarHBondContact O-N 3.29Å; D152-Y156 WeakPolarHBondContact O-CB 3.37Å; D152-Y156 PolarHBondContact O-N 3.26Å |
| 153 | L | 85.9 | Confident | 81.1 | Confident | 9 Ų | 9 | 88.4 Ų | 88.4 | 5% | 0.047 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -63.5 | -41.5 | 174.1 | -83.9 | 177.7 | 0 | 0 | 0 | 113.2 | V149 K150 T151 Y156 K157 E310 C313 I314 | V149-L153 HydrophobicContact CG1-CD1 4.34Å; V149-L153 WeakPolarHBondContact O-CB 3.43Å; V149-L153 WeakPolarHBondContact O-CG 3.49Å; V149-L153 PolarHBondContact O-N 3.05Å; K150-L153 PolarHBondContact O-N 3.39Å; T151-L153 VanDerWaalsContact C-N 3.34Å; T151-L153 PolarHBondContact O-N 3.45Å; L153-Y156 WeakPolarHBondContact O-CB 3.32Å; L153-Y156 PolarHBondContact O-N 2.59Å; L153-K157 WeakPolarHBondContact O-CG 3.47Å; L153-K157 PolarHBondContact O-N 3.02Å; L153-E310 HydrophobicContact CD1-CB 3.88Å; L153-E310 HydrophobicContact CD1-CG 4.01Å; L153-E310 HydrophobicContact CD2-CB 4.08Å; L153-E310 HydrophobicContact CD2-CG 3.72Å; L153-E310 HydrophobicContact CG-CB 4.3Å; L153-E310 HydrophobicContact CG-CG 3.9Å; L153-C313 HydrophobicContact CD1-CB 3.61Å; L153-I314 HydrophobicContact CD1-CG1 4.43Å |
| 154 | N | 85.7 | Confident | 78.6 | Confident | 84 Ų | 84 | 92.5 Ų | 92.5 | 45% | 0.449 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -66.2 | -40.9 | 178.1 | -80.9 | -17.2 | 0 | 0 | 0 | 111.7 | K150 T151 Y156 K157 N158 | K150-N154 PolarHBondContact O-N 3.42Å; T151-N154 PolarHBondContact O-N 3.18Å; N154-Y156 VanDerWaalsContact C-N 3.29Å; N154-Y156 PolarHBondContact O-N 2.59Å; N154-K157 PolarHBondContact O-N 3.37Å; N154-N158 WeakPolarHBondContact O-CB 3.44Å; N154-N158 VanDerWaalsContact O-CG 3.26Å; N154-N158 PolarHBondContact O-N 3.34Å; N154-N158 PolarHBondContact O-ND2 2.68Å |
| 155 | V | 86.3 | Confident | 75.8 | Confident | 103 Ų | 103 | 94.3 Ų | 94.3 | 62% | 0.624 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -58.8 | -44.3 | 172.2 | 172.9 | 0 | 0 | 0 | 0 | 110.2 | T151 D152 A159 | T151-V155 WeakPolarHBondContact O-CG2 3.45Å; T151-V155 PolarHBondContact O-N 3.24Å; D152-V155 PolarHBondContact O-N 3.29Å; V155-A159 WeakPolarHBondContact O-CB 3.34Å; V155-A159 PolarHBondContact O-N 2.76Å |
| 156 | Y | 82.4 | Confident | 73.1 | Confident | 81 Ų | 81 | 94.2 Ų | 94.2 | 32% | 0.318 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -62.7 | -50.9 | 176.5 | 176.9 | -94.2 | 0 | 0 | 0 | 113 | D152 L153 N154 N158 A159 S160 E326 | D152-Y156 WeakPolarHBondContact O-CB 3.37Å; D152-Y156 PolarHBondContact O-N 3.26Å; L153-Y156 WeakPolarHBondContact O-CB 3.32Å; L153-Y156 PolarHBondContact O-N 2.59Å; N154-Y156 VanDerWaalsContact C-N 3.29Å; N154-Y156 PolarHBondContact O-N 2.59Å; Y156-N158 VanDerWaalsContact C-N 3.26Å; Y156-N158 PolarHBondContact O-N 3.39Å; Y156-A159 PolarHBondContact O-N 2.89Å; Y156-S160 PolarHBondContact O-N 3.27Å; Y156-E326 VanDerWaalsContact OH-CD 3.25Å; Y156-E326 PolarHBondContact OH-OE1 3.14Å; Y156-E326 PolarHBondContact OH-OE2 2.8Å |
| 157 | K | 81.6 | Confident | 70.6 | Confident | 75 Ų | 75 | 101.1 Ų | 101.1 | 33% | 0.326 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -56.7 | -41.8 | 179.1 | -76.7 | -173.3 | 172.7 | -167 | 0 | 110.9 | L153 N154 S160 L161 E319 | L153-K157 WeakPolarHBondContact O-CG 3.47Å; L153-K157 PolarHBondContact O-N 3.02Å; N154-K157 PolarHBondContact O-N 3.37Å; K157-S160 PolarHBondContact O-N 3.03Å; K157-L161 WeakPolarHBondContact O-CG 3.42Å; K157-L161 PolarHBondContact O-N 3.01Å; K157-L161 VanDerWaalsContact O-N 3.1Å; K157-E319 IonicContact NZ-OE2 2.76Å; K157-E319 PolarHBondContact NZ-OE2 3.32Å |
| 158 | N | 80.7 | Confident | 67.8 | Low | 104 Ų | 104 | 103.6 Ų | 103.6 | 56% | 0.556 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -67.3 | -35.7 | 176.5 | -72.4 | -22.3 | 0 | 0 | 0 | 113.4 | N154 Y156 | N154-N158 WeakPolarHBondContact O-CB 3.44Å; N154-N158 VanDerWaalsContact O-CG 3.26Å; N154-N158 PolarHBondContact O-N 3.34Å; N154-N158 PolarHBondContact O-ND2 2.68Å; Y156-N158 VanDerWaalsContact C-N 3.26Å; Y156-N158 PolarHBondContact O-N 3.39Å |
| 159 | A | 78.1 | Confident | 64.9 | Low | 50 Ų | 50 | 103.7 Ų | 103.7 | 41% | 0.413 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -72.2 | -37.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | V155 Y156 K162 | V155-A159 WeakPolarHBondContact O-CB 3.34Å; V155-A159 PolarHBondContact O-N 2.76Å; Y156-A159 PolarHBondContact O-N 2.89Å; A159-K162 PolarHBondContact O-N 3.29Å |
| 160 | S | 68.3 | Low | 62 | Low | 48 Ų | 48 | 108.8 Ų | 108.8 | 34% | 0.336 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -70 | -37.5 | 179.3 | -172.2 | 0 | 0 | 0 | 0 | 112.5 | Y156 K157 K162 R163 | Y156-S160 PolarHBondContact O-N 3.27Å; K157-S160 PolarHBondContact O-N 3.03Å; S160-K162 PolarHBondContact O-N 3.05Å; S160-K162 VanDerWaalsContact O-N 3.12Å; S160-R163 CarbonylContact O-C 3.59Å; S160-R163 PolarHBondContact O-N 3.45Å |
| 161 | L | 64.4 | Low | 58.9 | Low | 124 Ų | 124 | 112.2 Ų | 112.2 | 65% | 0.649 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -57.5 | -26.9 | 174 | -76.6 | 164.3 | 0 | 0 | 0 | 113.3 | K157 | K157-L161 WeakPolarHBondContact O-CG 3.42Å; K157-L161 PolarHBondContact O-N 3.01Å; K157-L161 VanDerWaalsContact O-N 3.1Å |
| 162 | K | 54.2 | Low | 56 | Low | 188 Ų | 188 | 116.8 Ų | 116.8 | 82% | 0.817 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.1 | -12.7 | 174.9 | -66.6 | -178.3 | 179.2 | 179.2 | 0 | 114 | A159 S160 | A159-K162 PolarHBondContact O-N 3.29Å; S160-K162 PolarHBondContact O-N 3.05Å; S160-K162 VanDerWaalsContact O-N 3.12Å |
| 163 | R | 49.7 | Very low | 53 | Low | 213 Ų | 213 | 117.5 Ų | 117.5 | 80% | 0.804 | 63% | 0.625 | S | S | * | * | trans | -124.1 | 49.4 | -175.1 | -81.5 | -177.2 | 170.4 | 141.1 | -3.8 | 112 | S160 K165 | S160-R163 CarbonylContact O-C 3.59Å; S160-R163 PolarHBondContact O-N 3.45Å; R163-K165 PolarHBondContact O-N 3Å; R163-K165 VanDerWaalsContact O-N 3.08Å | ||
| 164 | K | 34.5 | Very low | 50.1 | Low | 185 Ų | 185 | 124.8 Ų | 124.8 | 80% | 0.804 | 66% | 0.664 | S | S | * | * | trans | -78 | 88.3 | 164 | -90.1 | -174.3 | 175.2 | 178.1 | 0 | 110.5 | ||||
| 165 | K | 32.9 | Very low | 47.4 | Very low | 194 Ų | 194 | 127.7 Ų | 127.7 | 84% | 0.843 | 68% | 0.675 | S | S | * | * | trans | -153.1 | 122.4 | 154.8 | -121.1 | 178 | -176.3 | 176.3 | 0 | 111.4 | R163 | R163-K165 PolarHBondContact O-N 3Å; R163-K165 VanDerWaalsContact O-N 3.08Å | ||
| 166 | T | 31.4 | Very low | 44.6 | Very low | 120 Ų | 120 | 127.5 Ų | 127.5 | 74% | 0.736 | 68% | 0.678 | S | S | * | * | trans | 62.6 | 98.1 | 158.1 | -36.2 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 167 | V | 36.7 | Very low | 42 | Very low | 153 Ų | 153 | 131.5 Ų | 131.5 | 93% | 0.927 | 70% | 0.7 | S | S | * | * | trans | -85.1 | 114.2 | 160 | 179.3 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 168 | L | 29.3 | Very low | 39.6 | Very low | 144 Ų | 144 | 132.8 Ų | 132.8 | 75% | 0.754 | 72% | 0.717 | S | S | * | * | trans | -85.4 | 122.8 | 178.7 | -172.5 | 71.2 | 0 | 0 | 0 | 109.4 | V170 | L168-V170 PolarHBondContact O-N 3.06Š| ||
| 169 | S | 27.3 | Very low | 37.2 | Very low | 98 Ų | 98 | 136.9 Ų | 136.9 | 69% | 0.685 | 73% | 0.733 | S | S | * | * | trans | -73.1 | 115.3 | 170 | 55 | 0 | 0 | 0 | 0 | 109.8 | C171 | S169-C171 PolarHBondContact O-N 3.26Š| ||
| 170 | V | 28.4 | Very low | 35.3 | Very low | 116 Ų | 116 | 138.5 Ų | 138.5 | 70% | 0.703 | 73% | 0.734 | S | S | * | * | trans | -85.4 | 106.2 | 168.2 | 177.2 | 0 | 0 | 0 | 0 | 107.9 | L168 L172 | L168-V170 PolarHBondContact O-N 3.06Å; V170-L172 PolarHBondContact O-N 3.32Å | ||
| 171 | C | 22.9 | Very low | 34.3 | Very low | 115 Ų | 115 | 140.5 Ų | 140.5 | 78% | 0.777 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 116.3 | 168.7 | -62.4 | 0 | 0 | 0 | 0 | 109 | S169 | S169-C171 PolarHBondContact O-N 3.26Š|
| 172 | L | 26.9 | Very low | 33.8 | Very low | 165 Ų | 165 | 137 Ų | 137 | 86% | 0.864 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -92.2 | 120.6 | 161.3 | -83 | 160.9 | 0 | 0 | 0 | 108.4 | V170 | V170-L172 PolarHBondContact O-N 3.32Š|
| 173 | S | 25.7 | Very low | 34 | Very low | 99 Ų | 99 | 132.7 Ų | 132.7 | 69% | 0.692 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 145.3 | -179.7 | 49 | 0 | 0 | 0 | 0 | 113.2 | ||
| 174 | D | 24.9 | Very low | 34.8 | Very low | 161 Ų | 161 | 126.7 Ų | 126.7 | 86% | 0.861 | 70% | 0.697 | S | S | * | * | trans | 11.5 | 113 | 157.1 | -57.4 | -27.1 | 0 | 0 | 0 | 117.8 | ||||
| 175 | Q | 28.2 | Very low | 36.8 | Very low | 145 Ų | 145 | 118.3 Ų | 118.3 | 68% | 0.678 | 66% | 0.661 | S | S | * | * | trans | -127.5 | 119.4 | 154.1 | -68.5 | -171.4 | -5.2 | 0 | 0 | 108.4 | C292 | Q175-C292 PolarHBondContact NE2-SG 3.4Š| ||
| 176 | S | 28 | Very low | 38.8 | Very low | 100 Ų | 100 | 109.3 Ų | 109.3 | 70% | 0.699 | 62% | 0.622 | S | S | * | * | trans | -48.7 | 146.1 | 174.1 | 38.6 | 0 | 0 | 0 | 0 | 112.1 | C178 | S176-C178 PolarHBondContact O-N 3.31Å; S176-C178 PolarHBondContact O-SG 2.9Å; S176-C178 VanDerWaalsContact O-SG 3.37Å | ||
| 177 | E | 27.5 | Very low | 40.8 | Very low | 165 Ų | 165 | 103.6 Ų | 103.6 | 77% | 0.771 | 59% | 0.587 | S | S | * | * | trans | -65.3 | 104.2 | 169.7 | -62.4 | -163.1 | -167.4 | 0 | 0 | 109 | K488 | E177-K488 IonicContact OE2-NZ 3.47Å; E177-K488 PolarHBondContact OE2-NZ 2.9Å | ||
| 178 | C | 31.3 | Very low | 42.4 | Very low | 102 Ų | 102 | 99.8 Ų | 99.8 | 69% | 0.689 | 56% | 0.562 | S | S | * | * | P | Polyproline II helix | trans | -78.1 | 142.8 | 178.5 | -46.3 | 0 | 0 | 0 | 0 | 111.3 | S176 | S176-C178 PolarHBondContact O-N 3.31Å; S176-C178 PolarHBondContact O-SG 2.9Å; S176-C178 VanDerWaalsContact O-SG 3.37Å |
| 179 | E | 31.4 | Very low | 43.8 | Very low | 189 Ų | 189 | 97.5 Ų | 97.5 | 88% | 0.883 | 55% | 0.55 | S | S | * | * | P | Polyproline II helix | trans | -53.6 | 138.1 | 173.5 | -63.7 | 173.1 | 151.2 | 0 | 0 | 112.1 | D181 | E179-D181 PolarHBondContact O-N 2.64Š|
| 180 | N | 37.8 | Very low | 45.1 | Very low | 84 Ų | 84 | 99.3 Ų | 99.3 | 45% | 0.449 | 55% | 0.552 | S | S | . | * | P | Polyproline II helix | trans | -68.4 | 123.8 | -179.6 | -72 | -34.4 | 0 | 0 | 0 | 110.7 | S182 I185 G485 | N180-S182 PolarHBondContact O-N 3.22Å; N180-I185 HydrophobicContact CB-CD1 4.02Å; N180-G485 PolarHBondContact ND2-O 3.12Å |
| 181 | D | 48 | Very low | 46 | Very low | 90 Ų | 90 | 97.3 Ų | 97.3 | 48% | 0.481 | 54% | 0.537 | S | S | . | . | P | Polyproline II helix | trans | -61 | 123 | 166.8 | -87.5 | -39.8 | 0 | 0 | 0 | 109.1 | E179 D183 D184 K293 | E179-D181 PolarHBondContact O-N 2.64Å; D181-D183 PolarHBondContact O-N 3.14Å; D181-D183 VanDerWaalsContact O-N 3.08Å; D181-D184 PolarHBondContact O-N 3.26Å; D181-K293 IonicContact OD2-NZ 3.23Å; D181-K293 PolarHBondContact OD2-NZ 3.43Å |
| 182 | S | 53.5 | Low | 47.1 | Very low | 52 Ų | 52 | 94.3 Ų | 94.3 | 36% | 0.364 | 51% | 0.513 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | -26.8 | -179.3 | -168.8 | 0 | 0 | 0 | 0 | 113 | N180 | N180-S182 PolarHBondContact O-N 3.22Š|
| 183 | D | 58.7 | Low | 47.7 | Very low | 97 Ų | 97 | 93.8 Ų | 93.8 | 52% | 0.519 | 50% | 0.504 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | -28.1 | -177.6 | -71.1 | -26.4 | 0 | 0 | 0 | 114 | D181 I185 L186 R412 | D181-D183 PolarHBondContact O-N 3.14Å; D181-D183 VanDerWaalsContact O-N 3.08Å; D183-I185 PolarHBondContact O-N 2.98Å; D183-L186 PolarHBondContact O-N 3.02Å; D183-R412 IonicContact OD1-CZ 3.59Å; D183-R412 IonicContact OD1-NH1 3.29Å; D183-R412 PolarHBondContact OD1-NH1 3.42Å; D183-R412 IonicContact OD1-NH2 3.85Å; D183-R412 PolarHBondContact OD1-NH2 3.13Å |
| 184 | D | 66.3 | Low | 48.1 | Very low | 86 Ų | 86 | 95.4 Ų | 95.4 | 46% | 0.46 | 51% | 0.505 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -22.9 | 177.6 | -84.8 | -14.8 | 0 | 0 | 0 | 112.3 | D181 | D181-D184 PolarHBondContact O-N 3.26Š|
| 185 | I | 75.1 | Confident | 48.8 | Very low | 9 Ų | 9 | 89.1 Ų | 89.1 | 5% | 0.046 | 47% | 0.47 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | -18.5 | -179.4 | -48.1 | -177.5 | 0 | 0 | 0 | 111.1 | N180 D183 Y405 F409 F486 | N180-I185 HydrophobicContact CB-CD1 4.02Å; D183-I185 PolarHBondContact O-N 2.98Å; I185-Y405 HydrophobicContact CG2-CE2 3.88Å; I185-Y405 WeakPolarHBondContact O-CE2 3.29Å; I185-Y405 PolarHBondContact O-OH 3.09Å; I185-F409 HydrophobicContact CB-CZ 4.28Å; I185-F409 HydrophobicContact CG2-CE2 4.2Å; I185-F409 HydrophobicContact CG2-CZ 4.44Å; I185-F486 HydrophobicContact CG2-CB 3.57Å; I185-F486 HydrophobicContact CG2-CD2 4.03Å; I185-F486 HydrophobicContact CG2-CG 4.19Å |
| 186 | L | 76.3 | Confident | 49.2 | Very low | 5 Ų | 5 | 85.9 Ų | 85.9 | 3% | 0.026 | 46% | 0.461 | C | S | . | . | S | Bend | trans | -74.5 | 136.7 | -177.3 | -177.2 | 69.6 | 0 | 0 | 0 | 112.2 | D183 N188 F409 R412 F413 | D183-L186 PolarHBondContact O-N 3.02Å; L186-N188 VanDerWaalsContact CD2-OD1 3.22Å; L186-N188 WeakPolarHBondContact CD2-OD1 3.16Å; L186-N188 WeakPolarHBondContact CG-OD1 3.47Å; L186-F409 HydrophobicContact CB-CD1 4.47Å; L186-F409 HydrophobicContact CB-CE1 4.39Å; L186-F409 HydrophobicContact CD1-CB 3.75Å; L186-F409 HydrophobicContact CD1-CD1 3.49Å; L186-F409 VanDerWaalsContact CD1-CD1 3.49Å; L186-F409 HydrophobicContact CD1-CE1 4.23Å; L186-F409 HydrophobicContact CD1-CG 3.79Å; L186-R412 HydrophobicContact CD1-CB 3.85Å; L186-R412 HydrophobicContact CD2-CB 4.11Å; L186-F413 HydrophobicContact CD1-CD1 4Å; L186-F413 HydrophobicContact CD1-CE1 3.54Å; L186-F413 HydrophobicContact CD1-CZ 4.37Å |
| 187 | L | 72.9 | Confident | 49.6 | Very low | 1 Ų | 1 | 82.8 Ų | 82.8 | 1% | 0.005 | 44% | 0.438 | C | S | . | . | trans | -77.4 | 123.3 | 166.3 | -61.2 | 162 | 0 | 0 | 0 | 109.3 | Y405 F413 I417 V421 F473 T477 L479 K482 | L187-Y405 HydrophobicContact CD1-CE1 3.7Å; L187-Y405 HydrophobicContact CG-CE1 4.17Å; L187-Y405 WeakPolarHBondContact CG-OH 3.31Å; L187-Y405 PolarHBondContact N-OH 3.31Å; L187-Y405 VanDerWaalsContact N-OH 3.15Å; L187-F413 HydrophobicContact CB-CD1 4.13Å; L187-F413 HydrophobicContact CB-CE1 3.73Å; L187-F413 HydrophobicContact CD1-CE1 4.1Å; L187-F413 HydrophobicContact CD1-CZ 4.24Å; L187-F413 HydrophobicContact CG-CE1 4.23Å; L187-I417 HydrophobicContact CB-CD1 4.24Å; L187-I417 HydrophobicContact CB-CG2 3.73Å; L187-I417 HydrophobicContact CD1-CG2 3.76Å; L187-I417 HydrophobicContact CG-CG2 4.39Å; L187-V421 HydrophobicContact CD1-CG2 3.5Å; L187-F473 HydrophobicContact CD1-CZ 4.34Å; L187-T477 HydrophobicContact CD2-CG2 4.4Å; L187-L479 HydrophobicContact CD1-CD1 3.69Å; L187-L479 HydrophobicContact CD2-CD1 3.7Å; L187-L479 HydrophobicContact CG-CD1 4.16Å; L187-K482 HydrophobicContact CD2-CD 3.63Å; L187-K482 HydrophobicContact CG-CD 4.36Å | ||
| 188 | N | 70.7 | Confident | 49.8 | Very low | 72 Ų | 72 | 80 Ų | 80 | 39% | 0.385 | 43% | 0.432 | S | S | . | . | trans | -114.3 | 153.4 | 177 | -65.1 | -25.8 | 0 | 0 | 0 | 110.1 | L186 I417 | L186-N188 VanDerWaalsContact CD2-OD1 3.22Å; L186-N188 WeakPolarHBondContact CD2-OD1 3.16Å; L186-N188 WeakPolarHBondContact CG-OD1 3.47Å; N188-I417 VanDerWaalsContact C-CD1 3.42Å | ||
| 189 | D | 58.6 | Low | 50 | Low | 97 Ų | 97 | 78.4 Ų | 78.4 | 52% | 0.519 | 43% | 0.426 | S | S | . | . | S | Bend | trans | -70.8 | -22 | 174.3 | -85.6 | -14.8 | 0 | 0 | 0 | 113 | L191 S414 I417 | D189-L191 PolarHBondContact O-N 3.49Å; D189-S414 VanDerWaalsContact CG-OG 3.23Å; D189-S414 WeakPolarHBondContact OD1-CB 3.27Å; D189-S414 PolarHBondContact OD1-OG 3.17Å; D189-S414 WeakPolarHBondContact OD2-CB 3.45Å; D189-S414 PolarHBondContact OD2-OG 3.02Å; D189-I417 WeakPolarHBondContact OD1-CD1 3.48Å |
| 190 | D | 53.9 | Low | 50.1 | Low | 135 Ų | 135 | 75.4 Ų | 75.4 | 72% | 0.722 | 41% | 0.413 | S | S | * | . | S | Bend | trans | -60.6 | 88.2 | 163.3 | -67.7 | -32.5 | 0 | 0 | 0 | 105.8 | D192 | D190-D192 PolarHBondContact O-N 2.73Š|
| 191 | L | 47.7 | Very low | 49.7 | Very low | 74 Ų | 74 | 77.5 Ų | 77.5 | 39% | 0.387 | 42% | 0.424 | S | S | . | . | trans | -40.4 | 129.7 | 167.3 | -69.2 | 161.6 | 0 | 0 | 0 | 105 | D189 K193 E476 | D189-L191 PolarHBondContact O-N 3.49Å; L191-K193 HydrophobicContact CB-CD 4.34Å; L191-K193 HydrophobicContact CB-CG 3.77Å; L191-K193 HydrophobicContact CD1-CD 4.35Å; L191-K193 HydrophobicContact CD1-CG 4.43Å; L191-K193 PolarHBondContact O-N 2.63Å; L191-E476 HydrophobicContact CD2-CB 4.26Å | ||
| 192 | D | 45.2 | Very low | 48.8 | Very low | 52 Ų | 52 | 81.1 Ų | 81.1 | 28% | 0.278 | 44% | 0.438 | S | S | . | . | trans | -67 | 51.4 | 167.7 | -73.7 | -46.5 | 0 | 0 | 0 | 108 | D190 N194 E195 K482 | D190-D192 PolarHBondContact O-N 2.73Å; D192-N194 PolarHBondContact O-N 3.49Å; D192-E195 HydrophobicContact CB-CB 4.14Å; D192-E195 HydrophobicContact CB-CG 4.1Å; D192-E195 PolarHBondContact O-N 3.34Å; D192-K482 IonicContact OD2-NZ 3.76Å; D192-K482 PolarHBondContact OD2-NZ 3.09Å | ||
| 193 | K | 39.9 | Very low | 47.6 | Very low | 155 Ų | 155 | 83.7 Ų | 83.7 | 67% | 0.674 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.4 | -16.8 | 165.8 | -81.4 | -178.4 | 176 | -173.8 | 0 | 111 | L191 | L191-K193 HydrophobicContact CB-CD 4.34Å; L191-K193 HydrophobicContact CB-CG 3.77Å; L191-K193 HydrophobicContact CD1-CD 4.35Å; L191-K193 HydrophobicContact CD1-CG 4.43Å; L191-K193 PolarHBondContact O-N 2.63Å |
| 194 | N | 34.2 | Very low | 46.4 | Very low | 132 Ų | 132 | 88.1 Ų | 88.1 | 71% | 0.706 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.1 | 1.2 | 173.9 | -65.6 | -28.5 | 0 | 0 | 0 | 114.2 | D192 V196 | D192-N194 PolarHBondContact O-N 3.49Å; N194-V196 CarbonylContact C-O 3.51Å |
| 195 | E | 39.4 | Very low | 45 | Very low | 29 Ų | 29 | 89.5 Ų | 89.5 | 14% | 0.136 | 48% | 0.477 | C | S | . | . | trans | -96.9 | -3.4 | 172.4 | -83 | -162.3 | -168.2 | 0 | 0 | 114.4 | D192 P197 N276 N478 R481 | D192-E195 HydrophobicContact CB-CB 4.14Å; D192-E195 HydrophobicContact CB-CG 4.1Å; D192-E195 PolarHBondContact O-N 3.34Å; E195-P197 WeakPolarHBondContact O-CD 3.21Å; E195-P197 VanDerWaalsContact O-N 3.11Å; E195-N276 WeakPolarHBondContact CG-ND2 3.47Å; E195-N276 PolarHBondContact OE1-ND2 2.74Å; E195-N478 VanDerWaalsContact CD-ND2 3.34Å; E195-N478 PolarHBondContact OE2-ND2 3.03Å; E195-N478 PolarHBondContact OE2-OD1 3.46Å; E195-R481 IonicContact OE1-CZ 3.4Å; E195-R481 IonicContact OE1-NE 3.29Å; E195-R481 IonicContact OE1-NH2 3.69Å; E195-R481 PolarHBondContact OE1-NH2 2.92Å | ||
| 196 | V | 37.5 | Very low | 43.6 | Very low | 78 Ų | 78 | 92.9 Ų | 92.9 | 47% | 0.473 | 50% | 0.501 | S | S | . | . | S | Bend | trans | -59.2 | 120.7 | 146.3 | -153 | 0 | 0 | 0 | 0 | 103.9 | N194 V198 M200 | N194-V196 CarbonylContact C-O 3.51Å; V196-V198 PolarHBondContact O-N 3.11Å; V196-M200 HydrophobicContact CB-CB 4.06Å; V196-M200 HydrophobicContact CG1-CB 3.27Å; V196-M200 HydrophobicContact CG1-CE 4.48Å; V196-M200 HydrophobicContact CG1-CG 3.41Å; V196-M200 VanDerWaalsContact CG1-CG 3.41Å |
| 197 | P | 34.8 | Very low | 42.5 | Very low | 34 Ų | 34 | 98.5 Ų | 98.5 | 22% | 0.221 | 53% | 0.532 | C | S | . | . | trans | -46 | 140.9 | -174.5 | -27.2 | 32.7 | 0 | 0 | 0 | 108.1 | E195 A199 M200 | E195-P197 WeakPolarHBondContact O-CD 3.21Å; E195-P197 VanDerWaalsContact O-N 3.11Å; P197-A199 CarbonylContact O-C 3.14Å; P197-A199 WeakPolarHBondContact O-CA 3.4Å; P197-A199 PolarHBondContact O-N 3.15Å; P197-M200 PolarHBondContact O-N 2.89Å | ||
| 198 | V | 32.3 | Very low | 42.1 | Very low | 108 Ų | 108 | 102.7 Ų | 102.7 | 66% | 0.655 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.1 | 4.8 | 177.6 | 177.7 | 0 | 0 | 0 | 0 | 113.9 | V196 | V196-V198 PolarHBondContact O-N 3.11Š|
| 199 | A | 36.5 | Very low | 42.6 | Very low | 68 Ų | 68 | 102.1 Ų | 102.1 | 56% | 0.562 | 55% | 0.55 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.2 | -1 | 164.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | P197 | P197-A199 CarbonylContact O-C 3.14Å; P197-A199 WeakPolarHBondContact O-CA 3.4Å; P197-A199 PolarHBondContact O-N 3.15Å |
| 200 | M | 31.5 | Very low | 43.8 | Very low | 125 Ų | 125 | 100.1 Ų | 100.1 | 62% | 0.616 | 54% | 0.535 | S | S | * | . | trans | -113.8 | 27 | 173.8 | -61.4 | -76.3 | -80.1 | 0 | 0 | 111 | V196 P197 E202 | V196-M200 HydrophobicContact CB-CB 4.06Å; V196-M200 HydrophobicContact CG1-CB 3.27Å; V196-M200 HydrophobicContact CG1-CE 4.48Å; V196-M200 HydrophobicContact CG1-CG 3.41Å; V196-M200 VanDerWaalsContact CG1-CG 3.41Å; P197-M200 PolarHBondContact O-N 2.89Å; M200-E202 PolarHBondContact O-N 3.39Å | ||
| 201 | L | 30.1 | Very low | 45.3 | Very low | 129 Ų | 129 | 94.2 Ų | 94.2 | 68% | 0.675 | 50% | 0.504 | S | S | * | . | trans | -52.9 | 106 | 143.4 | -73.1 | 172.9 | 0 | 0 | 0 | 104.1 | D203 | L201-D203 PolarHBondContact O-N 3.03Š| ||
| 202 | E | 28.8 | Very low | 47.3 | Very low | 166 Ų | 166 | 93.1 Ų | 93.1 | 78% | 0.776 | 50% | 0.5 | S | S | * | . | trans | -55.7 | 77.3 | 153.5 | -67.4 | 170.1 | 165.5 | 0 | 0 | 104.8 | M200 E204 | M200-E202 PolarHBondContact O-N 3.39Å; E202-E204 PolarHBondContact O-N 3.25Å | ||
| 203 | D | 30 | Very low | 49.6 | Very low | 106 Ų | 106 | 91.1 Ų | 91.1 | 57% | 0.567 | 49% | 0.49 | S | S | * | . | trans | -54.2 | 98.8 | 139.7 | -83.9 | -18.5 | 0 | 0 | 0 | 102.3 | L201 T205 S206 | L201-D203 PolarHBondContact O-N 3.03Å; D203-T205 PolarHBondContact O-N 3.05Å; D203-S206 WeakPolarHBondContact O-CB 3.41Å; D203-S206 PolarHBondContact O-N 2.99Å | ||
| 204 | E | 32.6 | Very low | 52.3 | Low | 190 Ų | 190 | 83.8 Ų | 83.8 | 89% | 0.888 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | 14.2 | 163.3 | -68.5 | -170.9 | 145.7 | 0 | 0 | 111.4 | E202 | E202-E204 PolarHBondContact O-N 3.25Š|
| 205 | T | 37.5 | Very low | 55.4 | Low | 114 Ų | 114 | 77.5 Ų | 77.5 | 70% | 0.699 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -125.8 | 20.9 | 171.3 | 60.4 | 0 | 0 | 0 | 0 | 113.4 | D203 D207 | D203-T205 PolarHBondContact O-N 3.05Å; T205-D207 PolarHBondContact O-N 2.81Å |
| 206 | S | 44.4 | Very low | 58.1 | Low | 80 Ų | 80 | 76.1 Ų | 76.1 | 56% | 0.559 | 42% | 0.418 | S | S | * | . | trans | -70.7 | 79.5 | 177.5 | 164.3 | 0 | 0 | 0 | 0 | 111.7 | D203 V208 | D203-S206 WeakPolarHBondContact O-CB 3.41Å; D203-S206 PolarHBondContact O-N 2.99Å; S206-V208 PolarHBondContact O-N 2.78Å; S206-V208 WeakPolarHBondContact OG-CG2 3.47Å | ||
| 207 | D | 53 | Low | 61 | Low | 124 Ų | 124 | 72.5 Ų | 72.5 | 66% | 0.663 | 40% | 0.396 | S | S | * | . | trans | -69.8 | 36.7 | 168 | -140.1 | 8.7 | 0 | 0 | 0 | 111.4 | K138 T205 Y209 | K138-D207 IonicContact NZ-OD1 2.71Å; K138-D207 PolarHBondContact NZ-OD1 3.31Å; K138-D207 IonicContact NZ-OD2 2.74Å; K138-D207 PolarHBondContact NZ-OD2 3.16Å; T205-D207 PolarHBondContact O-N 2.81Å; D207-Y209 PolarHBondContact O-N 3.4Å | ||
| 208 | V | 65.6 | Low | 63.9 | Low | 89 Ų | 89 | 70.9 Ų | 70.9 | 54% | 0.539 | 39% | 0.385 | S | S | . | . | trans | -72.1 | 102.9 | -177.2 | 175.4 | 0 | 0 | 0 | 0 | 108.3 | S206 R210 | S206-V208 PolarHBondContact O-N 2.78Å; S206-V208 WeakPolarHBondContact OG-CG2 3.47Å; V208-R210 PolarHBondContact O-N 2.99Å | ||
| 209 | Y | 80.3 | Confident | 66.7 | Low | 59 Ų | 59 | 65.7 Ų | 65.7 | 23% | 0.231 | 35% | 0.354 | C | S | . | . | trans | -58 | 121.9 | 176.5 | 173.2 | -102.2 | 0 | 0 | 0 | 111 | K138 I139 A142 D207 V211 L341 | K138-Y209 HydrophobicContact CB-CD2 3.63Å; K138-Y209 HydrophobicContact CB-CE2 4Å; K138-Y209 HydrophobicContact CB-CG 4.29Å; I139-Y209 WeakPolarHBondContact CA-OH 3.32Å; I139-Y209 HydrophobicContact CG1-CE2 3.93Å; I139-Y209 VanDerWaalsContact CG1-OH 3.27Å; I139-Y209 WeakPolarHBondContact CG1-OH 3.38Å; A142-Y209 HydrophobicContact CB-CD1 3.83Å; A142-Y209 HydrophobicContact CB-CE1 3.46Å; A142-Y209 VanDerWaalsContact CB-CE1 3.46Å; D207-Y209 PolarHBondContact O-N 3.4Å; Y209-V211 HydrophobicContact CE1-CG2 3.68Å; Y209-L341 HydrophobicContact CD1-CD2 3.93Å; Y209-L341 HydrophobicContact CE1-CD2 4.38Å | ||
| 210 | R | 83.7 | Confident | 69 | Low | 56 Ų | 56 | 65.6 Ų | 65.6 | 21% | 0.211 | 34% | 0.339 | C | S | . | . | trans | -110.5 | 129.3 | 172.3 | -170.6 | -174.4 | -173.5 | 108.3 | -1.1 | 109.8 | V208 T212 N340 G362 | V208-R210 PolarHBondContact O-N 2.99Å; R210-T212 PolarHBondContact O-N 3.19Å; R210-N340 WeakPolarHBondContact CA-O 3.42Å; R210-N340 PolarHBondContact NH1-OD1 3.23Å; R210-N340 VanDerWaalsContact NH1-OD1 3.15Å; R210-G362 PolarHBondContact NH1-O 3.45Å; R210-G362 PolarHBondContact NH2-O 2.58Å | ||
| 211 | V | 86.7 | Confident | 71.4 | Confident | 11 Ų | 11 | 62.2 Ų | 62.2 | 7% | 0.067 | 33% | 0.326 | C | S | . | . | trans | -67 | 128.9 | 172.2 | 177.5 | 0 | 0 | 0 | 0 | 109 | Y209 Q214 N340 | Y209-V211 HydrophobicContact CE1-CG2 3.68Å; V211-Q214 VanDerWaalsContact O-CD 3.29Å; V211-Q214 WeakPolarHBondContact O-CG 3.33Å; V211-N340 PolarHBondContact N-O 2.9Å | ||
| 212 | T | 88.9 | Confident | 73.8 | Confident | 50 Ų | 50 | 59.4 Ų | 59.4 | 31% | 0.307 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -140.5 | 140.8 | 175.3 | 48.7 | 0 | 0 | 0 | 0 | 109.8 | R210 | R210-T212 PolarHBondContact O-N 3.19Š|
| 213 | P | 95 | Very high | 76.4 | Confident | 11 Ų | 11 | 56 Ų | 56 | 7% | 0.071 | 30% | 0.304 | C | S | . | . | S | Bend | cis | -72 | 161.8 | -8.9 | 30 | -32.7 | 0 | 0 | 0 | 112.4 | W84 L85 A88 R89 N368 | W84-P213 HydrophobicContact CH2-CB 3.91Å; W84-P213 HydrophobicContact CH2-CG 3.77Å; W84-P213 HydrophobicContact CZ3-CB 4.31Å; W84-P213 HydrophobicContact CZ3-CG 4.1Å; L85-P213 HydrophobicContact CD1-CB 4.49Å; L85-P213 HydrophobicContact CD1-CG 3.87Å; L85-P213 WeakPolarHBondContact CD1-O 3.48Å; A88-P213 HydrophobicContact CB-CG 4.25Å; R89-P213 PolarHBondContact NH2-O 3.33Å; P213-N368 WeakPolarHBondContact CA-OD1 3.2Å |
| 214 | Q | 96.4 | Very high | 79 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 29% | 0.286 | C | S | . | . | trans | -119.9 | 157.7 | 172.6 | -51.6 | -176.5 | -76 | 0 | 0 | 109.9 | V211 V339 A342 I345 N368 V369 | V211-Q214 VanDerWaalsContact O-CD 3.29Å; V211-Q214 WeakPolarHBondContact O-CG 3.33Å; Q214-V339 PolarHBondContact NE2-O 3.05Å; Q214-A342 PolarHBondContact NE2-O 2.92Å; Q214-I345 HydrophobicContact CB-CD1 3.76Å; Q214-I345 HydrophobicContact CG-CD1 4.33Å; Q214-N368 PolarHBondContact N-OD1 2.94Å; Q214-N368 WeakPolarHBondContact O-CB 3.44Å; Q214-V369 PolarHBondContact O-N 3.38Å | ||
| 215 | I | 97.6 | Very high | 81.8 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 120.5 | 172.9 | -59.6 | 169.3 | 0 | 0 | 0 | 108.8 | L82 L85 D343 L344 I345 V369 I371 | L82-I215 HydrophobicContact CD2-CD1 4.27Å; L85-I215 HydrophobicContact CB-CD1 4.02Å; L85-I215 HydrophobicContact CD2-CD1 3.92Å; L85-I215 HydrophobicContact CD2-CG1 4.36Å; L85-I215 HydrophobicContact CG-CD1 4.43Å; I215-D343 PolarHBondContact N-O 3.28Å; I215-L344 HydrophobicContact CB-CD1 3.89Å; I215-L344 HydrophobicContact CG2-CD1 3.66Å; I215-L344 CarbonylContact O-C 3.57Å; I215-L344 WeakPolarHBondContact O-CA 3.48Å; I215-I345 PolarHBondContact O-N 2.91Å; I215-V369 HydrophobicContact CG1-CB 4.35Å; I215-I371 HydrophobicContact CG2-CD1 3.83Å; I215-I371 HydrophobicContact CG2-CG1 4.22Å |
| 216 | F | 97.4 | Very high | 84.2 | Confident | 1 Ų | 1 | 40 Ų | 40 | 0% | 0.004 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 114.3 | 170 | -60.8 | -65.8 | 0 | 0 | 0 | 108.9 | I345 M347 L363 S364 L365 N368 V369 V370 I371 | F216-I345 HydrophobicContact CD1-CB 3.77Å; F216-I345 HydrophobicContact CD1-CD1 3.95Å; F216-I345 HydrophobicContact CD1-CG1 4.12Å; F216-I345 HydrophobicContact CD1-CG2 4.18Å; F216-I345 HydrophobicContact CE1-CB 4.17Å; F216-I345 HydrophobicContact CE1-CD1 3.75Å; F216-I345 HydrophobicContact CE1-CG1 4.02Å; F216-M347 HydrophobicContact CB-CE 3.65Å; F216-M347 HydrophobicContact CD1-CE 3.29Å; F216-M347 HydrophobicContact CE1-CE 4.25Å; F216-M347 HydrophobicContact CG-CE 3.8Å; F216-L363 HydrophobicContact CD1-CD2 4.39Å; F216-L363 HydrophobicContact CE1-CB 4.47Å; F216-L363 HydrophobicContact CE1-CD2 3.74Å; F216-S364 VanDerWaalsContact CE2-O 3.28Å; F216-S364 WeakPolarHBondContact CE2-O 3.34Å; F216-S364 WeakPolarHBondContact CZ-O 3.38Å; F216-L365 HydrophobicContact CD2-CD2 3.73Å; F216-L365 HydrophobicContact CE2-CD2 3.76Å; F216-L365 HydrophobicContact CG-CD2 4.4Å; F216-L365 HydrophobicContact CZ-CD2 4.5Å; F216-N368 HydrophobicContact CD2-CB 3.95Å; F216-N368 HydrophobicContact CE2-CB 3.43Å; F216-N368 VanDerWaalsContact CE2-CB 3.43Å; F216-N368 HydrophobicContact CZ-CB 4.39Å; F216-V369 PolarHBondContact N-O 3.33Å; F216-V370 HydrophobicContact CB-CG2 4.3Å; F216-V370 HydrophobicContact CD2-CG2 4.11Å; F216-V370 CarbonylContact O-C 3.57Å; F216-V370 WeakPolarHBondContact O-CA 3.35Å; F216-I371 PolarHBondContact O-N 2.85Å |
| 217 | Y | 97.4 | Very high | 86.2 | Confident | 1 Ų | 1 | 41.4 Ų | 41.4 | 0% | 0.004 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 122.3 | 174.9 | -177 | -88.1 | 0 | 0 | 0 | 109.8 | L77 L225 F228 I345 L346 M347 I371 D373 | L77-Y217 HydrophobicContact CD1-CE2 4.36Å; Y217-L225 HydrophobicContact CD1-CD2 3.85Å; Y217-L225 HydrophobicContact CE1-CD2 4.05Å; Y217-F228 AromaticContact CD1-CD1 3.78Å; Y217-F228 HydrophobicContact CD1-CD1 3.78Å; Y217-F228 AromaticContact CD1-CE1 3.91Å; Y217-F228 HydrophobicContact CD1-CE1 3.91Å; Y217-F228 HydrophobicContact CD1-CG 4.19Å; Y217-F228 HydrophobicContact CD1-CZ 4.46Å; Y217-F228 HydrophobicContact CD2-CD1 4.19Å; Y217-F228 AromaticContact CD2-CE1 3.53Å; Y217-F228 HydrophobicContact CD2-CE1 3.53Å; Y217-F228 AromaticContact CD2-CE2 3.95Å; Y217-F228 HydrophobicContact CD2-CE2 3.95Å; Y217-F228 AromaticContact CD2-CZ 3.39Å; Y217-F228 HydrophobicContact CD2-CZ 3.39Å; Y217-F228 HydrophobicContact CE1-CB 4.08Å; Y217-F228 AromaticContact CE1-CD1 3.79Å; Y217-F228 HydrophobicContact CE1-CD1 3.79Å; Y217-F228 HydrophobicContact CE1-CD2 4Å; Y217-F228 HydrophobicContact CE1-CE1 4.14Å; Y217-F228 HydrophobicContact CE1-CE2 4.36Å; Y217-F228 AromaticContact CE1-CG 3.7Å; Y217-F228 HydrophobicContact CE1-CG 3.7Å; Y217-F228 HydrophobicContact CE1-CZ 4.41Å; Y217-F228 HydrophobicContact CE2-CD1 4.19Å; Y217-F228 AromaticContact CE2-CD2 3.78Å; Y217-F228 HydrophobicContact CE2-CD2 3.78Å; Y217-F228 AromaticContact CE2-CE1 3.76Å; Y217-F228 HydrophobicContact CE2-CE1 3.76Å; Y217-F228 AromaticContact CE2-CE2 3.33Å; Y217-F228 HydrophobicContact CE2-CE2 3.33Å; Y217-F228 HydrophobicContact CE2-CG 4.18Å; Y217-F228 AromaticContact CE2-CZ 3.3Å; Y217-F228 HydrophobicContact CE2-CZ 3.3Å; Y217-F228 AromaticContact CG-CD1 3.97Å; Y217-F228 HydrophobicContact CG-CD1 3.97Å; Y217-F228 AromaticContact CG-CE1 3.59Å; Y217-F228 HydrophobicContact CG-CE1 3.59Å; Y217-F228 AromaticContact CG-CZ 3.98Å; Y217-F228 HydrophobicContact CG-CZ 3.98Å; Y217-F228 AromaticContact CZ-CD1 3.98Å; Y217-F228 AromaticContact CZ-CD2 3.46Å; Y217-F228 VanDerWaalsContact CZ-CD2 3.46Å; Y217-F228 AromaticContact CZ-CE2 3.56Å; Y217-F228 AromaticContact CZ-CG 3.67Å; Y217-F228 AromaticContact CZ-CZ 3.84Å; Y217-F228 WeakPolarHBondContact OH-CD2 3.39Å; Y217-I345 PolarHBondContact N-O 3.4Å; Y217-L346 HydrophobicContact CD1-CD2 3.98Å; Y217-L346 HydrophobicContact CG-CD2 4.07Å; Y217-L346 CarbonylContact O-C 3.6Å; Y217-L346 WeakPolarHBondContact O-CA 3.42Å; Y217-M347 PolarHBondContact O-N 3.3Å; Y217-I371 CarbonylContact C-O 3.48Å; Y217-I371 WeakPolarHBondContact CA-O 3.46Å; Y217-I371 HydrophobicContact CD2-CB 4.04Å; Y217-I371 HydrophobicContact CD2-CG2 3.81Å; Y217-I371 HydrophobicContact CE2-CG2 4.02Å; Y217-D373 HydrophobicContact CE1-CB 4.29Å; Y217-D373 HydrophobicContact CE2-CB 4Å; Y217-D373 WeakPolarHBondContact OH-CB 3.26Å; Y217-D373 VanDerWaalsContact OH-CG 3.22Å; Y217-D373 PolarHBondContact OH-OD2 3.34Å |
| 218 | S | 95.7 | Very high | 88 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 136 | -179 | -159.5 | 0 | 0 | 0 | 0 | 112.4 | M347 P348 Y349 I371 D373 | S218-M347 WeakPolarHBondContact CA-O 3.38Å; S218-M347 PolarHBondContact OG-O 2.8Å; S218-M347 VanDerWaalsContact OG-O 3.08Å; S218-P348 PolarHBondContact OG-O 3.42Å; S218-Y349 WeakPolarHBondContact OG-CA 3.45Å; S218-Y349 WeakPolarHBondContact OG-CD1 3.29Å; S218-Y349 PolarHBondContact OG-N 2.63Å; S218-I371 PolarHBondContact N-O 3.22Å; S218-D373 PolarHBondContact O-N 3.39Å |
| 219 | S | 92.5 | Very high | 89.2 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 164.3 | 178.4 | -165.3 | 0 | 0 | 0 | 0 | 111 | Q224 M347 Y349 | S219-Q224 WeakPolarHBondContact OG-CB 3.21Å; S219-Q224 PolarHBondContact OG-OE1 2.91Å; S219-Q224 VanDerWaalsContact OG-OE1 3.08Å; S219-M347 PolarHBondContact N-O 3.28Å; S219-Y349 VanDerWaalsContact CA-CE1 3.47Å; S219-Y349 VanDerWaalsContact O-CD1 3.28Å; S219-Y349 WeakPolarHBondContact O-CD1 3.47Å; S219-Y349 PolarHBondContact O-N 3.34Å |
| 220 | R | 84.4 | Confident | 89.6 | Confident | 65 Ų | 65 | 35.3 Ų | 35.3 | 25% | 0.245 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -69.2 | -39.6 | -174.6 | -170.8 | 178.3 | -172.7 | 167.9 | 7.5 | 112.2 | Y349 N377 E714 | R220-Y349 HydrophobicContact CB-CE2 4.48Å; R220-N377 PolarHBondContact NH1-ND2 2.91Å; R220-N377 VanDerWaalsContact NH1-ND2 3.1Å; R220-N377 PolarHBondContact NH1-OD1 2.81Å; R220-E714 WeakPolarHBondContact CD-OE1 3.24Å; R220-E714 IonicContact CZ-OE1 3.36Å; R220-E714 IonicContact CZ-OE2 3.45Å; R220-E714 IonicContact NE-OE1 3.45Å; R220-E714 IonicContact NH1-OE1 3.7Å; R220-E714 PolarHBondContact NH1-OE1 2.79Å; R220-E714 IonicContact NH1-OE2 3.38Å; R220-E714 PolarHBondContact NH1-OE2 2.95Å; R220-E714 VanDerWaalsContact NH1-OE2 3.1Å |
| 221 | T | 81.7 | Confident | 89.9 | Confident | 54 Ų | 54 | 34 Ų | 34 | 33% | 0.331 | 18% | 0.181 | S | C | . | . | trans | -123.2 | 149.9 | -172.8 | 68.6 | 0 | 0 | 0 | 0 | 113 | S223 Q224 L225 | T221-S223 PolarHBondContact O-N 2.99Å; T221-Q224 PolarHBondContact O-N 2.85Å; T221-Q224 VanDerWaalsContact OG1-CG 3.23Å; T221-Q224 WeakPolarHBondContact OG1-CG 3.47Å; T221-Q224 PolarHBondContact OG1-N 2.66Å; T221-Q224 PolarHBondContact OG1-OE1 3.02Å; T221-L225 PolarHBondContact O-N 2.69Å | ||
| 222 | H | 80.3 | Confident | 90.1 | Very high | 70 Ų | 70 | 34 Ų | 34 | 32% | 0.324 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -61.8 | -31.3 | 173.2 | -79.8 | -68.6 | 0 | 0 | 0 | 112.8 | L225 A226 P348 | H222-L225 PolarHBondContact O-N 3.25Å; H222-A226 PolarHBondContact O-N 3.49Å; H222-P348 WeakPolarHBondContact CE1-CG 3.29Å |
| 223 | S | 82.4 | Confident | 90 | Very high | 95 Ų | 95 | 38.3 Ų | 38.3 | 66% | 0.664 | 20% | 0.195 | S | C | * | . | H | α-helix | trans | -63.5 | -40.2 | 176.8 | -46.9 | 0 | 0 | 0 | 0 | 112.2 | T221 A226 Q227 | T221-S223 PolarHBondContact O-N 2.99Å; S223-A226 PolarHBondContact O-N 2.78Å; S223-Q227 PolarHBondContact O-N 3.47Å |
| 224 | Q | 85.9 | Confident | 89.8 | Confident | 43 Ų | 43 | 44 Ų | 44 | 20% | 0.201 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -66.4 | -40.7 | 175.2 | -74.6 | 161.1 | -34.9 | 0 | 0 | 111.8 | S219 T221 A226 Q227 F228 | S219-Q224 WeakPolarHBondContact OG-CB 3.21Å; S219-Q224 PolarHBondContact OG-OE1 2.91Å; S219-Q224 VanDerWaalsContact OG-OE1 3.08Å; T221-Q224 PolarHBondContact O-N 2.85Å; T221-Q224 VanDerWaalsContact OG1-CG 3.23Å; T221-Q224 WeakPolarHBondContact OG1-CG 3.47Å; T221-Q224 PolarHBondContact OG1-N 2.66Å; T221-Q224 PolarHBondContact OG1-OE1 3.02Å; Q224-A226 PolarHBondContact O-N 3.14Å; Q224-Q227 PolarHBondContact O-N 3.29Å; Q224-F228 WeakPolarHBondContact O-CB 3.35Å; Q224-F228 PolarHBondContact O-N 3.12Å |
| 225 | L | 90.5 | Very high | 89.6 | Confident | 1 Ų | 1 | 44.1 Ų | 44.1 | 1% | 0.005 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61.6 | -44.2 | 175.1 | -61.3 | 175.8 | 0 | 0 | 0 | 111.3 | Y217 T221 H222 Q227 F228 A229 L346 P348 | Y217-L225 HydrophobicContact CD1-CD2 3.85Å; Y217-L225 HydrophobicContact CE1-CD2 4.05Å; T221-L225 PolarHBondContact O-N 2.69Å; H222-L225 PolarHBondContact O-N 3.25Å; L225-Q227 VanDerWaalsContact C-N 3.34Å; L225-Q227 PolarHBondContact O-N 2.87Å; L225-F228 PolarHBondContact O-N 2.84Å; L225-A229 WeakPolarHBondContact O-CB 3.41Å; L225-A229 PolarHBondContact O-N 3.42Å; L225-L346 HydrophobicContact CD2-CB 4.24Å; L225-P348 HydrophobicContact CD1-CG 4.25Å |
| 226 | A | 87.8 | Confident | 89.3 | Confident | 31 Ų | 31 | 46.9 Ų | 46.9 | 26% | 0.256 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -64.4 | -38.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | H222 S223 Q224 K230 | H222-A226 PolarHBondContact O-N 3.49Å; S223-A226 PolarHBondContact O-N 2.78Å; Q224-A226 PolarHBondContact O-N 3.14Å; A226-K230 WeakPolarHBondContact O-CG 3.43Å; A226-K230 PolarHBondContact O-N 2.88Å; A226-K230 VanDerWaalsContact O-N 3.16Å |
| 227 | Q | 87.4 | Confident | 89.1 | Confident | 108 Ų | 108 | 47.5 Ų | 47.5 | 51% | 0.505 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -63.5 | -46.9 | 173.3 | -177.3 | 179.7 | -14.1 | 0 | 0 | 111.2 | S223 Q224 L225 A229 K230 E231 | S223-Q227 PolarHBondContact O-N 3.47Å; Q224-Q227 PolarHBondContact O-N 3.29Å; L225-Q227 VanDerWaalsContact C-N 3.34Å; L225-Q227 PolarHBondContact O-N 2.87Å; Q227-A229 PolarHBondContact O-N 3.26Å; Q227-K230 WeakPolarHBondContact O-CB 3.43Å; Q227-K230 PolarHBondContact O-N 3.43Å; Q227-K230 VanDerWaalsContact O-N 3.15Å; Q227-E231 PolarHBondContact NE2-OE1 3.36Å; Q227-E231 PolarHBondContact O-N 2.89Å; Q227-E231 VanDerWaalsContact O-N 3.09Å |
| 228 | F | 90.7 | Very high | 88.6 | Confident | 3 Ų | 3 | 49.2 Ų | 49.2 | 1% | 0.013 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60.5 | -43.7 | 178.4 | -170.7 | -103 | 0 | 0 | 0 | 111.8 | L77 L78 Y217 Q224 L225 K230 E231 I232 L344 L346 | L77-F228 HydrophobicContact CB-CE2 4.45Å; L78-F228 HydrophobicContact CD1-CD2 4.43Å; L78-F228 HydrophobicContact CD1-CE2 4.1Å; L78-F228 HydrophobicContact CD1-CZ 4.24Å; L78-F228 HydrophobicContact CD2-CD1 4.34Å; L78-F228 HydrophobicContact CD2-CE1 3.49Å; L78-F228 VanDerWaalsContact CD2-CE1 3.49Å; L78-F228 HydrophobicContact CD2-CE2 3.94Å; L78-F228 HydrophobicContact CD2-CZ 3.24Å; L78-F228 HydrophobicContact CG-CD2 4.39Å; L78-F228 HydrophobicContact CG-CE1 4.11Å; L78-F228 HydrophobicContact CG-CE2 3.6Å; L78-F228 HydrophobicContact CG-CZ 3.44Å; L78-F228 VanDerWaalsContact CG-CZ 3.44Å; Y217-F228 AromaticContact CD1-CD1 3.78Å; Y217-F228 HydrophobicContact CD1-CD1 3.78Å; Y217-F228 AromaticContact CD1-CE1 3.91Å; Y217-F228 HydrophobicContact CD1-CE1 3.91Å; Y217-F228 HydrophobicContact CD1-CG 4.19Å; Y217-F228 HydrophobicContact CD1-CZ 4.46Å; Y217-F228 HydrophobicContact CD2-CD1 4.19Å; Y217-F228 AromaticContact CD2-CE1 3.53Å; Y217-F228 HydrophobicContact CD2-CE1 3.53Å; Y217-F228 AromaticContact CD2-CE2 3.95Å; Y217-F228 HydrophobicContact CD2-CE2 3.95Å; Y217-F228 AromaticContact CD2-CZ 3.39Å; Y217-F228 HydrophobicContact CD2-CZ 3.39Å; Y217-F228 HydrophobicContact CE1-CB 4.08Å; Y217-F228 AromaticContact CE1-CD1 3.79Å; Y217-F228 HydrophobicContact CE1-CD1 3.79Å; Y217-F228 HydrophobicContact CE1-CD2 4Å; Y217-F228 HydrophobicContact CE1-CE1 4.14Å; Y217-F228 HydrophobicContact CE1-CE2 4.36Å; Y217-F228 AromaticContact CE1-CG 3.7Å; Y217-F228 HydrophobicContact CE1-CG 3.7Å; Y217-F228 HydrophobicContact CE1-CZ 4.41Å; Y217-F228 HydrophobicContact CE2-CD1 4.19Å; Y217-F228 AromaticContact CE2-CD2 3.78Å; Y217-F228 HydrophobicContact CE2-CD2 3.78Å; Y217-F228 AromaticContact CE2-CE1 3.76Å; Y217-F228 HydrophobicContact CE2-CE1 3.76Å; Y217-F228 AromaticContact CE2-CE2 3.33Å; Y217-F228 HydrophobicContact CE2-CE2 3.33Å; Y217-F228 HydrophobicContact CE2-CG 4.18Å; Y217-F228 AromaticContact CE2-CZ 3.3Å; Y217-F228 HydrophobicContact CE2-CZ 3.3Å; Y217-F228 AromaticContact CG-CD1 3.97Å; Y217-F228 HydrophobicContact CG-CD1 3.97Å; Y217-F228 AromaticContact CG-CE1 3.59Å; Y217-F228 HydrophobicContact CG-CE1 3.59Å; Y217-F228 AromaticContact CG-CZ 3.98Å; Y217-F228 HydrophobicContact CG-CZ 3.98Å; Y217-F228 AromaticContact CZ-CD1 3.98Å; Y217-F228 AromaticContact CZ-CD2 3.46Å; Y217-F228 VanDerWaalsContact CZ-CD2 3.46Å; Y217-F228 AromaticContact CZ-CE2 3.56Å; Y217-F228 AromaticContact CZ-CG 3.67Å; Y217-F228 AromaticContact CZ-CZ 3.84Å; Y217-F228 WeakPolarHBondContact OH-CD2 3.39Å; Q224-F228 WeakPolarHBondContact O-CB 3.35Å; Q224-F228 PolarHBondContact O-N 3.12Å; L225-F228 PolarHBondContact O-N 2.84Å; F228-K230 VanDerWaalsContact C-N 3.29Å; F228-K230 PolarHBondContact O-N 2.88Å; F228-E231 PolarHBondContact O-N 3.45Å; F228-E231 VanDerWaalsContact O-N 3.09Å; F228-I232 PolarHBondContact O-N 3.33Å; F228-L344 HydrophobicContact CE1-CD2 4.04Å; F228-L346 HydrophobicContact CD1-CD1 4.34Å; F228-L346 HydrophobicContact CD1-CD2 3.63Å; F228-L346 HydrophobicContact CE1-CD2 3.86Å |
| 229 | A | 90.3 | Very high | 88.2 | Confident | 14 Ų | 14 | 54.9 Ų | 54.9 | 12% | 0.116 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -58.1 | -39.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | L225 Q227 E231 I232 L346 | L225-A229 WeakPolarHBondContact O-CB 3.41Å; L225-A229 PolarHBondContact O-N 3.42Å; Q227-A229 PolarHBondContact O-N 3.26Å; A229-E231 VanDerWaalsContact C-N 3.33Å; A229-I232 WeakPolarHBondContact O-CB 3.46Å; A229-I232 PolarHBondContact O-N 2.92Å; A229-L346 HydrophobicContact CB-CD1 3.69Å |
| 230 | K | 88.8 | Confident | 88 | Confident | 127 Ų | 127 | 58.4 Ų | 58.4 | 55% | 0.552 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -68.6 | -31.7 | 176.9 | -71.9 | 170.9 | -174.1 | 176.8 | 0 | 112.4 | A226 Q227 F228 I232 K233 | A226-K230 WeakPolarHBondContact O-CG 3.43Å; A226-K230 PolarHBondContact O-N 2.88Å; A226-K230 VanDerWaalsContact O-N 3.16Å; Q227-K230 WeakPolarHBondContact O-CB 3.43Å; Q227-K230 PolarHBondContact O-N 3.43Å; Q227-K230 VanDerWaalsContact O-N 3.15Å; F228-K230 VanDerWaalsContact C-N 3.29Å; F228-K230 PolarHBondContact O-N 2.88Å; K230-I232 VanDerWaalsContact C-N 3.3Å; K230-I232 PolarHBondContact O-N 3.38Å; K230-K233 PolarHBondContact O-N 2.79Å |
| 231 | E | 89.8 | Confident | 88.3 | Confident | 30 Ų | 30 | 56 Ų | 56 | 14% | 0.14 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -70.9 | -23 | 179.3 | -73.2 | -171.1 | -158.3 | 0 | 0 | 113.6 | S74 L75 L78 Q227 F228 A229 K233 K234 | S74-E231 WeakPolarHBondContact CB-OE2 3.44Å; L75-E231 PolarHBondContact N-OE2 2.69Å; L78-E231 HydrophobicContact CD1-CB 3.9Å; Q227-E231 PolarHBondContact NE2-OE1 3.36Å; Q227-E231 PolarHBondContact O-N 2.89Å; Q227-E231 VanDerWaalsContact O-N 3.09Å; F228-E231 PolarHBondContact O-N 3.45Å; F228-E231 VanDerWaalsContact O-N 3.09Å; A229-E231 VanDerWaalsContact C-N 3.33Å; E231-K233 PolarHBondContact O-N 3.37Å; E231-K234 WeakPolarHBondContact O-CA 3.36Å; E231-K234 VanDerWaalsContact O-CB 3.32Å; E231-K234 WeakPolarHBondContact O-CB 3.33Å; E231-K234 PolarHBondContact O-N 2.97Å |
| 232 | I | 91 | Very high | 88.9 | Confident | 9 Ų | 9 | 54.5 Ų | 54.5 | 5% | 0.046 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -56 | -36.1 | 174.4 | -61.6 | 171.8 | 0 | 0 | 0 | 111.4 | L78 F228 A229 K230 K234 T235 A238 V243 L344 | L78-I232 HydrophobicContact CD1-CG1 3.8Å; L78-I232 HydrophobicContact CD2-CD1 4.3Å; L78-I232 HydrophobicContact CD2-CG1 3.65Å; L78-I232 HydrophobicContact CG-CG1 4.39Å; F228-I232 PolarHBondContact O-N 3.33Å; A229-I232 WeakPolarHBondContact O-CB 3.46Å; A229-I232 PolarHBondContact O-N 2.92Å; K230-I232 VanDerWaalsContact C-N 3.3Å; K230-I232 PolarHBondContact O-N 3.38Å; I232-K234 PolarHBondContact O-N 2.94Å; I232-T235 PolarHBondContact O-N 2.95Å; I232-T235 PolarHBondContact O-OG1 3.47Å; I232-A238 WeakPolarHBondContact O-CB 3.41Å; I232-V243 HydrophobicContact CD1-CB 4.37Å; I232-V243 HydrophobicContact CD1-CG1 3.94Å; I232-V243 HydrophobicContact CD1-CG2 3.56Å; I232-L344 HydrophobicContact CD1-CD2 3.51Å; I232-L344 HydrophobicContact CG1-CD2 4.41Å |
| 233 | K | 87.9 | Confident | 89.5 | Confident | 141 Ų | 141 | 51.7 Ų | 51.7 | 61% | 0.613 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -14.1 | 176.7 | -61.6 | -177.8 | -180 | 176.9 | 0 | 113.5 | K230 E231 | K230-K233 PolarHBondContact O-N 2.79Å; E231-K233 PolarHBondContact O-N 3.37Å |
| 234 | K | 89.3 | Confident | 90 | Very high | 130 Ų | 130 | 47.1 Ų | 47.1 | 57% | 0.565 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96 | 10.6 | 177.5 | -55.8 | -179.2 | 179.7 | 177.2 | 0 | 113.1 | L39 L75 E231 I232 | L39-K234 VanDerWaalsContact CD1-C 3.49Å; L39-K234 WeakPolarHBondContact CD1-O 3.47Å; L39-K234 WeakPolarHBondContact CG-O 3.49Å; L75-K234 HydrophobicContact CD1-CB 4.45Å; E231-K234 WeakPolarHBondContact O-CA 3.36Å; E231-K234 VanDerWaalsContact O-CB 3.32Å; E231-K234 WeakPolarHBondContact O-CB 3.33Å; E231-K234 PolarHBondContact O-N 2.97Å; I232-K234 PolarHBondContact O-N 2.94Å |
| 235 | T | 92.1 | Very high | 90.3 | Very high | 3 Ų | 3 | 45.2 Ų | 45.2 | 2% | 0.018 | 24% | 0.243 | C | C | . | . | B | Isolated β-bridge | trans | -114.1 | 158.2 | 179 | 72 | 0 | 0 | 0 | 0 | 110.8 | L75 L78 I232 Y237 A238 | L75-T235 HydrophobicContact CD1-CG2 3.77Å; L78-T235 HydrophobicContact CB-CG2 4.16Å; L78-T235 HydrophobicContact CD1-CG2 4.49Å; I232-T235 PolarHBondContact O-N 2.95Å; I232-T235 PolarHBondContact O-OG1 3.47Å; T235-Y237 PolarHBondContact O-N 3.36Å; T235-Y237 VanDerWaalsContact O-N 3.11Å; T235-Y237 PolarHBondContact OG1-N 3.1Å; T235-A238 PolarHBondContact O-N 2.8Å; T235-A238 PolarHBondContact OG1-N 3.44Å |
| 236 | A | 91.6 | Very high | 90.4 | Very high | 59 Ų | 59 | 45.2 Ų | 45.2 | 49% | 0.488 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -8.8 | 171 | 0 | 0 | 0 | 0 | 0 | 113.4 | G37 L39 | G37-A236 WeakPolarHBondContact O-CB 3.29Å; G37-A236 PolarHBondContact O-N 2.82Å; L39-A236 HydrophobicContact CD2-CB 4.27Å |
| 237 | Y | 92.6 | Very high | 90.5 | Very high | 13 Ų | 13 | 43.9 Ų | 43.9 | 5% | 0.051 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.3 | 1.7 | -176.8 | -52.8 | -66.1 | 0 | 0 | 0 | 113.4 | F36 L82 T83 T235 D239 S240 T241 | F36-Y237 WeakPolarHBondContact O-CE2 3.44Å; L82-Y237 HydrophobicContact CB-CD2 3.57Å; L82-Y237 HydrophobicContact CB-CE2 3.99Å; L82-Y237 HydrophobicContact CB-CG 3.87Å; L82-Y237 HydrophobicContact CD1-CD2 4.04Å; L82-Y237 HydrophobicContact CD1-CG 4.21Å; L82-Y237 HydrophobicContact CG-CD2 4.47Å; T83-Y237 PolarHBondContact OG1-OH 3.41Å; T235-Y237 PolarHBondContact O-N 3.36Å; T235-Y237 VanDerWaalsContact O-N 3.11Å; T235-Y237 PolarHBondContact OG1-N 3.1Å; Y237-D239 PolarHBondContact O-N 2.9Å; Y237-D239 VanDerWaalsContact O-N 3.12Å; Y237-S240 PolarHBondContact O-N 2.85Å; Y237-S240 VanDerWaalsContact O-N 3.14Å; Y237-S240 PolarHBondContact O-OG 3.47Å; Y237-T241 WeakPolarHBondContact CB-OG1 3.07Å; Y237-T241 VanDerWaalsContact O-CB 3.32Å; Y237-T241 WeakPolarHBondContact O-CB 3.17Å; Y237-T241 PolarHBondContact O-N 3.29Å; Y237-T241 PolarHBondContact O-OG1 3.38Å |
| 238 | A | 87.6 | Confident | 90.6 | Very high | 37 Ų | 37 | 40.9 Ų | 40.9 | 31% | 0.306 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.5 | -37.4 | -178 | 0 | 0 | 0 | 0 | 0 | 112.9 | I232 T235 | I232-A238 WeakPolarHBondContact O-CB 3.41Å; T235-A238 PolarHBondContact O-N 2.8Å; T235-A238 PolarHBondContact OG1-N 3.44Å |
| 239 | D | 86.6 | Confident | 90.6 | Very high | 120 Ų | 120 | 41.9 Ų | 41.9 | 64% | 0.642 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.2 | -23.1 | -176.8 | -80.4 | -40.2 | 0 | 0 | 0 | 114.7 | K150 Y237 | K150-D239 VanDerWaalsContact NZ-CG 3.34Å; K150-D239 PolarHBondContact NZ-O 3.02Å; K150-D239 IonicContact NZ-OD1 3.09Å; K150-D239 PolarHBondContact NZ-OD1 2.88Å; Y237-D239 PolarHBondContact O-N 2.9Å; Y237-D239 VanDerWaalsContact O-N 3.12Å |
| 240 | S | 88.4 | Confident | 90.5 | Very high | 73 Ų | 73 | 46.1 Ų | 46.1 | 51% | 0.51 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -104.7 | -0.3 | -173.5 | 54.5 | 0 | 0 | 0 | 0 | 114 | Y237 | Y237-S240 PolarHBondContact O-N 2.85Å; Y237-S240 VanDerWaalsContact O-N 3.14Å; Y237-S240 PolarHBondContact O-OG 3.47Å |
| 241 | T | 91.7 | Very high | 90.5 | Very high | 15 Ų | 15 | 42.5 Ų | 42.5 | 9% | 0.092 | 24% | 0.235 | C | C | . | . | trans | -109.6 | 125.3 | -178.7 | -51.4 | 0 | 0 | 0 | 0 | 110.8 | L82 Y237 V243 D343 L344 | L82-T241 HydrophobicContact CD1-CG2 4.38Å; L82-T241 HydrophobicContact CD2-CG2 3.68Å; Y237-T241 WeakPolarHBondContact CB-OG1 3.07Å; Y237-T241 VanDerWaalsContact O-CB 3.32Å; Y237-T241 WeakPolarHBondContact O-CB 3.17Å; Y237-T241 PolarHBondContact O-N 3.29Å; Y237-T241 PolarHBondContact O-OG1 3.38Å; T241-V243 HydrophobicContact CG2-CG2 3.96Å; T241-D343 HydrophobicContact CG2-CB 4.06Å; T241-L344 HydrophobicContact CG2-CB 4.31Å | ||
| 242 | H | 93.3 | Very high | 90.7 | Very high | 22 Ų | 22 | 41.1 Ų | 41.1 | 10% | 0.102 | 23% | 0.228 | C | C | . | . | trans | -92.6 | 119.6 | 174.6 | -57.5 | -53.4 | 0 | 0 | 0 | 111 | L146 L312 D343 L344 | L146-H242 WeakPolarHBondContact CD1-NE2 3.41Å; H242-L312 HydrophobicContact CB-CB 4.19Å; H242-L312 HydrophobicContact CB-CD2 4.27Å; H242-D343 HydrophobicContact CB-CB 4.46Å; H242-D343 IonicContact CD2-OD2 3.05Å; H242-D343 PolarHBondContact CD2-OD2 3.33Å; H242-D343 IonicContact CG-OD2 3.8Å; H242-D343 PolarHBondContact N-OD2 2.92Å; H242-D343 WeakPolarHBondContact O-CA 3.34Å; H242-D343 WeakPolarHBondContact O-CB 3.29Å; H242-D343 PolarHBondContact O-N 3.46Å; H242-L344 PolarHBondContact O-N 3.44Å; H242-L344 VanDerWaalsContact O-N 3.09Å | ||
| 243 | V | 93.2 | Very high | 90.8 | Very high | 11 Ų | 11 | 41.4 Ų | 41.4 | 7% | 0.067 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 132.5 | -169.8 | -172 | 0 | 0 | 0 | 0 | 110 | I232 T241 L312 L344 L346 | I232-V243 HydrophobicContact CD1-CB 4.37Å; I232-V243 HydrophobicContact CD1-CG1 3.94Å; I232-V243 HydrophobicContact CD1-CG2 3.56Å; T241-V243 HydrophobicContact CG2-CG2 3.96Å; V243-L312 PolarHBondContact N-O 2.76Å; V243-L312 VanDerWaalsContact N-O 3.11Å; V243-L344 WeakPolarHBondContact CA-O 3.35Å; V243-L344 HydrophobicContact CG1-CB 4.46Å; V243-L344 HydrophobicContact CG1-CD2 4.24Å; V243-L344 HydrophobicContact CG1-CG 4.36Å; V243-L344 HydrophobicContact CG2-CB 4.34Å; V243-L344 HydrophobicContact CG2-CD2 4.28Å; V243-L346 HydrophobicContact CG1-CD1 4.03Å; V243-L346 HydrophobicContact CG1-CG 4.03Å |
| 244 | V | 93.3 | Very high | 91.1 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 136 | 172.2 | 71.1 | 0 | 0 | 0 | 0 | 110.3 | L312 T335 A338 V339 A342 L344 I345 L346 | V244-L312 HydrophobicContact CB-CD2 4.42Å; V244-T335 HydrophobicContact CG2-CG2 4.29Å; V244-A338 HydrophobicContact CG2-CB 4.08Å; V244-V339 HydrophobicContact CG1-CG2 4.44Å; V244-A342 HydrophobicContact CB-CB 4.06Å; V244-A342 HydrophobicContact CG1-CB 3.43Å; V244-A342 VanDerWaalsContact CG1-CB 3.43Å; V244-L344 PolarHBondContact N-O 2.86Å; V244-I345 HydrophobicContact CG1-CB 4.2Å; V244-I345 HydrophobicContact CG1-CG1 3.85Å; V244-I345 HydrophobicContact CG1-CG2 4.09Å; V244-I345 CarbonylContact O-C 3.55Å; V244-I345 WeakPolarHBondContact O-CA 3.19Å; V244-L346 PolarHBondContact O-N 3.39Å |
| 245 | T | 93.1 | Very high | 91.2 | Very high | 3 Ų | 3 | 29.7 Ų | 29.7 | 2% | 0.018 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 116.6 | 174.3 | -52.9 | 0 | 0 | 0 | 0 | 109.9 | G315 I317 L346 | T245-G315 PolarHBondContact OG1-O 2.84Å; T245-I317 HydrophobicContact CG2-CD1 3.64Å; T245-I317 HydrophobicContact CG2-CG1 3.79Å; T245-L346 HydrophobicContact CG2-CB 4.03Å |
| 246 | I | 91.8 | Very high | 91.2 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 21% | 0.206 | C | C | . | . | trans | -81.7 | 130.9 | 175 | -62.4 | 177.1 | 0 | 0 | 0 | 109.1 | V339 I345 L346 M347 P348 V351 F361 L363 | I246-V339 HydrophobicContact CD1-CG2 3.92Å; I246-V339 HydrophobicContact CG1-CG2 4.29Å; I246-I345 HydrophobicContact CD1-CG2 3.5Å; I246-I345 VanDerWaalsContact CD1-CG2 3.5Å; I246-I345 HydrophobicContact CG1-CG2 3.96Å; I246-L346 PolarHBondContact N-O 3.41Å; I246-M347 HydrophobicContact CB-CB 4.34Å; I246-P348 WeakPolarHBondContact O-CD 3.46Å; I246-V351 HydrophobicContact CG2-CG2 4.33Å; I246-F361 HydrophobicContact CD1-CB 4.35Å; I246-F361 HydrophobicContact CD1-CD1 4.24Å; I246-F361 HydrophobicContact CD1-CG 4.3Å; I246-F361 HydrophobicContact CG2-CD1 3.73Å; I246-F361 HydrophobicContact CG2-CD2 4.17Å; I246-F361 HydrophobicContact CG2-CE1 3.38Å; I246-F361 HydrophobicContact CG2-CE2 3.85Å; I246-F361 HydrophobicContact CG2-CG 4.13Å; I246-F361 HydrophobicContact CG2-CZ 3.43Å; I246-F361 VanDerWaalsContact CG2-CZ 3.43Å; I246-L363 HydrophobicContact CD1-CD1 4.3Å; I246-L363 HydrophobicContact CD1-CD2 3.93Å | ||
| 247 | A | 89.9 | Confident | 90.9 | Very high | 3 Ų | 3 | 33.3 Ų | 33.3 | 3% | 0.025 | 20% | 0.195 | C | C | . | . | trans | -142.4 | 169.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | L252 I317 | A247-L252 HydrophobicContact CB-CD1 3.86Å; A247-L252 HydrophobicContact CB-CG 4.08Å; A247-I317 HydrophobicContact CB-CD1 3.77Å | ||
| 248 | S | 89.4 | Confident | 90.7 | Very high | 46 Ų | 46 | 32.8 Ų | 32.8 | 32% | 0.322 | 19% | 0.193 | S | C | . | . | trans | -71.2 | 166.2 | 177 | 77.7 | 0 | 0 | 0 | 0 | 111.5 | Q250 S251 L252 | S248-Q250 PolarHBondContact O-N 2.89Å; S248-Q250 WeakPolarHBondContact OG-CB 3.38Å; S248-Q250 PolarHBondContact OG-N 3.15Å; S248-S251 PolarHBondContact O-N 3.33Å; S248-S251 VanDerWaalsContact O-N 3.16Å; S248-L252 PolarHBondContact O-N 3.49Å | ||
| 249 | R | 90.2 | Very high | 90.8 | Very high | 24 Ų | 24 | 33.9 Ų | 33.9 | 9% | 0.091 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -61.1 | -24.7 | 171.9 | -67.9 | -176.7 | -178 | 70.2 | 3.3 | 112.6 | S251 L252 C253 M267 N268 C271 Y332 Y333 | R249-S251 PolarHBondContact O-N 3.44Å; R249-L252 PolarHBondContact O-N 3.13Å; R249-C253 WeakPolarHBondContact O-CB 3.22Å; R249-C253 PolarHBondContact O-N 3Å; R249-M267 WeakPolarHBondContact O-CE 3.35Å; R249-N268 VanDerWaalsContact CD-OD1 3.26Å; R249-N268 WeakPolarHBondContact CD-OD1 3.2Å; R249-N268 PolarHBondContact NH1-OD1 2.88Å; R249-C271 PolarHBondContact NE-SG 3.27Å; R249-C271 VanDerWaalsContact NE-SG 3.36Å; R249-Y332 HydrophobicContact CG-CD1 4.16Å; R249-Y332 HydrophobicContact CG-CD2 3.62Å; R249-Y332 HydrophobicContact CG-CE1 4.3Å; R249-Y332 HydrophobicContact CG-CE2 3.77Å; R249-Y332 HydrophobicContact CG-CG 3.83Å; R249-Y332 PolarHBondContact NH1-OH 2.87Å; R249-Y332 PolarHBondContact NH2-OH 3.42Å; R249-Y333 PolarHBondContact NH2-OH 2.7Å |
| 250 | Q | 88.7 | Confident | 90.8 | Very high | 103 Ų | 103 | 36.6 Ų | 36.6 | 48% | 0.481 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -61 | -34.8 | 177 | -165.3 | 179.5 | 14.3 | 0 | 0 | 111.9 | S248 K262 M267 | S248-Q250 PolarHBondContact O-N 2.89Å; S248-Q250 WeakPolarHBondContact OG-CB 3.38Å; S248-Q250 PolarHBondContact OG-N 3.15Å; Q250-K262 PolarHBondContact NE2-O 3.31Å; Q250-M267 HydrophobicContact CB-SD 4.08Å; Q250-M267 HydrophobicContact CG-SD 4.1Å |
| 251 | S | 88.9 | Confident | 90.5 | Very high | 51 Ų | 51 | 36.2 Ų | 36.2 | 36% | 0.357 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -91.7 | -32.5 | -179.7 | -51.3 | 0 | 0 | 0 | 0 | 113.1 | S248 R249 V321 | S248-S251 PolarHBondContact O-N 3.33Å; S248-S251 VanDerWaalsContact O-N 3.16Å; R249-S251 PolarHBondContact O-N 3.44Å; S251-V321 WeakPolarHBondContact O-CG2 3.41Å |
| 252 | L | 92.7 | Very high | 89.9 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -103.2 | -17.5 | -170.3 | -73.2 | 169.4 | 0 | 0 | 0 | 115.1 | A247 S248 R249 I317 V321 P331 Y332 T335 | A247-L252 HydrophobicContact CB-CD1 3.86Å; A247-L252 HydrophobicContact CB-CG 4.08Å; S248-L252 PolarHBondContact O-N 3.49Å; R249-L252 PolarHBondContact O-N 3.13Å; L252-I317 HydrophobicContact CD2-CG2 3.82Å; L252-I317 HydrophobicContact CG-CG2 4.45Å; L252-V321 HydrophobicContact CD2-CG2 4.06Å; L252-P331 HydrophobicContact CB-CB 4.25Å; L252-P331 HydrophobicContact CD2-CB 3.96Å; L252-P331 WeakPolarHBondContact O-CB 3.47Å; L252-P331 WeakPolarHBondContact O-CD 3.49Å; L252-P331 WeakPolarHBondContact O-CG 3.34Å; L252-Y332 HydrophobicContact CD1-CD2 4.34Å; L252-T335 HydrophobicContact CD1-CG2 4.42Å; L252-T335 HydrophobicContact CD2-CG2 4.39Å |
| 253 | C | 94.5 | Very high | 89.4 | Confident | 16 Ų | 16 | 44.2 Ų | 44.2 | 11% | 0.108 | 22% | 0.222 | C | C | . | . | trans | -70.9 | 134.8 | -175.9 | -174.5 | 0 | 0 | 0 | 0 | 111.3 | R249 N255 L259 M267 | R249-C253 WeakPolarHBondContact O-CB 3.22Å; R249-C253 PolarHBondContact O-N 3Å; C253-N255 PolarHBondContact SG-N 2.93Å; C253-N255 VanDerWaalsContact SG-N 3.4Å; C253-L259 HydrophobicContact CB-CD2 4.28Å; C253-L259 WeakPolarHBondContact O-CD1 3.49Å; C253-L259 WeakPolarHBondContact O-CD2 3.4Å; C253-M267 HydrophobicContact CB-CE 4.14Å | ||
| 254 | I | 93.4 | Very high | 88.9 | Confident | 9 Ų | 9 | 46.2 Ų | 46.2 | 5% | 0.046 | 24% | 0.235 | C | C | . | . | trans | -111 | 1.7 | 175.3 | 60.9 | 171.8 | 0 | 0 | 0 | 112.9 | F298 V321 G324 K325 A329 P331 | I254-F298 HydrophobicContact CD1-CB 4.42Å; I254-F298 HydrophobicContact CD1-CD1 3.39Å; I254-F298 HydrophobicContact CD1-CE1 3.7Å; I254-F298 HydrophobicContact CD1-CG 3.93Å; I254-F298 HydrophobicContact CD1-CZ 4.49Å; I254-F298 HydrophobicContact CG1-CB 4.48Å; I254-F298 HydrophobicContact CG1-CD1 3.82Å; I254-F298 HydrophobicContact CG1-CD2 4.25Å; I254-F298 HydrophobicContact CG1-CE1 4.03Å; I254-F298 HydrophobicContact CG1-CE2 4.47Å; I254-F298 HydrophobicContact CG1-CG 3.92Å; I254-F298 HydrophobicContact CG1-CZ 4.36Å; I254-V321 HydrophobicContact CG2-CG1 3.82Å; I254-G324 WeakPolarHBondContact CD1-O 3.24Å; I254-K325 HydrophobicContact CB-CG 4.04Å; I254-K325 HydrophobicContact CD1-CG 4.47Å; I254-K325 HydrophobicContact CG2-CG 3.74Å; I254-A329 VanDerWaalsContact CD1-O 3.27Å; I254-A329 WeakPolarHBondContact CD1-O 3.4Å; I254-P331 HydrophobicContact CD1-CG 4.5Å; I254-P331 HydrophobicContact CG2-CG 3.89Å | ||
| 255 | N | 92.7 | Very high | 88.3 | Confident | 16 Ų | 16 | 47.8 Ų | 47.8 | 9% | 0.086 | 24% | 0.244 | C | C | . | . | trans | -85.3 | 112.5 | 176.9 | -174.6 | -17.3 | 0 | 0 | 0 | 110.2 | C253 S257 V258 L259 F298 | C253-N255 PolarHBondContact SG-N 2.93Å; C253-N255 VanDerWaalsContact SG-N 3.4Å; N255-S257 VanDerWaalsContact CG-OG 3.25Å; N255-S257 PolarHBondContact ND2-OG 3.3Å; N255-S257 PolarHBondContact O-N 3.13Å; N255-S257 WeakPolarHBondContact OD1-CB 3.47Å; N255-S257 PolarHBondContact OD1-N 2.9Å; N255-S257 PolarHBondContact OD1-OG 3.3Å; N255-V258 HydrophobicContact CB-CB 4.4Å; N255-V258 HydrophobicContact CB-CG2 4.08Å; N255-V258 WeakPolarHBondContact O-CB 3.4Å; N255-V258 PolarHBondContact O-N 2.98Å; N255-L259 PolarHBondContact O-N 2.91Å; N255-F298 HydrophobicContact CB-CD2 3.83Å; N255-F298 HydrophobicContact CB-CE2 3.74Å | ||
| 256 | D | 90.5 | Very high | 87.6 | Confident | 102 Ų | 102 | 48 Ų | 48 | 55% | 0.545 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -58 | -33.5 | -179.2 | -65.9 | -32.5 | 0 | 0 | 0 | 113.1 | V258 L259 R260 | D256-V258 PolarHBondContact O-N 2.68Å; D256-L259 PolarHBondContact O-N 3.27Å; D256-R260 VanDerWaalsContact O-CG 3.29Å; D256-R260 WeakPolarHBondContact O-CG 3.42Å; D256-R260 PolarHBondContact O-N 3.41Å; D256-R260 VanDerWaalsContact O-N 3.11Å |
| 257 | S | 86.6 | Confident | 87.3 | Confident | 36 Ų | 36 | 48.1 Ų | 48.1 | 25% | 0.252 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -63.9 | -24.4 | 176.6 | 69.7 | 0 | 0 | 0 | 0 | 113.5 | N255 | N255-S257 VanDerWaalsContact CG-OG 3.25Å; N255-S257 PolarHBondContact ND2-OG 3.3Å; N255-S257 PolarHBondContact O-N 3.13Å; N255-S257 WeakPolarHBondContact OD1-CB 3.47Å; N255-S257 PolarHBondContact OD1-N 2.9Å; N255-S257 PolarHBondContact OD1-OG 3.3Å |
| 258 | V | 88.4 | Confident | 87 | Confident | 2 Ų | 2 | 50.8 Ų | 50.8 | 1% | 0.012 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -93.1 | -43.6 | 176.9 | -177 | 0 | 0 | 0 | 0 | 110 | N255 D256 R260 L261 M267 K270 L274 | N255-V258 HydrophobicContact CB-CB 4.4Å; N255-V258 HydrophobicContact CB-CG2 4.08Å; N255-V258 WeakPolarHBondContact O-CB 3.4Å; N255-V258 PolarHBondContact O-N 2.98Å; D256-V258 PolarHBondContact O-N 2.68Å; V258-R260 VanDerWaalsContact C-N 3.28Å; V258-R260 PolarHBondContact O-N 2.8Å; V258-L261 WeakPolarHBondContact O-CB 3.45Å; V258-L261 PolarHBondContact O-N 3.2Å; V258-L261 VanDerWaalsContact O-N 3.17Å; V258-M267 HydrophobicContact CG1-CB 3.78Å; V258-M267 HydrophobicContact CG1-CE 4.01Å; V258-M267 HydrophobicContact CG1-CG 4.04Å; V258-M267 WeakPolarHBondContact CG1-O 3.13Å; V258-K270 HydrophobicContact CG2-CG 4.03Å; V258-L274 HydrophobicContact CG2-CD1 3.88Å |
| 259 | L | 88.4 | Confident | 86.6 | Confident | 60 Ų | 60 | 49.1 Ų | 49.1 | 31% | 0.314 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -59.3 | -35.5 | -179.1 | -75.4 | 171.1 | 0 | 0 | 0 | 113.4 | C253 N255 D256 L261 K262 M267 | C253-L259 HydrophobicContact CB-CD2 4.28Å; C253-L259 WeakPolarHBondContact O-CD1 3.49Å; C253-L259 WeakPolarHBondContact O-CD2 3.4Å; N255-L259 PolarHBondContact O-N 2.91Å; D256-L259 PolarHBondContact O-N 3.27Å; L259-L261 PolarHBondContact O-N 2.99Å; L259-L261 VanDerWaalsContact O-N 3.13Å; L259-K262 PolarHBondContact O-N 3.3Å; L259-M267 HydrophobicContact CD2-CE 3.98Å |
| 260 | R | 87.3 | Confident | 86.2 | Confident | 177 Ų | 177 | 51.6 Ų | 51.6 | 67% | 0.668 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -24.7 | 178.4 | -77.4 | -172.3 | -60.5 | -103 | 13.5 | 114 | D256 V258 K262 | D256-R260 VanDerWaalsContact O-CG 3.29Å; D256-R260 WeakPolarHBondContact O-CG 3.42Å; D256-R260 PolarHBondContact O-N 3.41Å; D256-R260 VanDerWaalsContact O-N 3.11Å; V258-R260 VanDerWaalsContact C-N 3.28Å; V258-R260 PolarHBondContact O-N 2.8Å; R260-K262 VanDerWaalsContact C-N 3.3Å; R260-K262 PolarHBondContact O-N 3.32Å |
| 261 | L | 82.5 | Confident | 86.2 | Confident | 65 Ų | 65 | 47.2 Ų | 47.2 | 34% | 0.34 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -26 | -177.1 | -63.6 | 172.5 | 0 | 0 | 0 | 113 | V258 L259 N263 L266 M267 K270 | V258-L261 WeakPolarHBondContact O-CB 3.45Å; V258-L261 PolarHBondContact O-N 3.2Å; V258-L261 VanDerWaalsContact O-N 3.17Å; L259-L261 PolarHBondContact O-N 2.99Å; L259-L261 VanDerWaalsContact O-N 3.13Å; L261-N263 PolarHBondContact O-N 3.02Å; L261-L266 HydrophobicContact CB-CB 4.11Å; L261-L266 HydrophobicContact CB-CD1 4.3Å; L261-L266 HydrophobicContact CD1-CB 3.95Å; L261-L266 HydrophobicContact CG-CB 4.46Å; L261-M267 HydrophobicContact CB-CG 4.23Å; L261-K270 HydrophobicContact CD1-CB 3.63Å; L261-K270 HydrophobicContact CD1-CG 4.02Å |
| 262 | K | 79.3 | Confident | 86 | Confident | 167 Ų | 167 | 47 Ų | 47 | 73% | 0.726 | 23% | 0.234 | S | C | * | . | trans | 58.6 | -33 | -179 | -61.8 | 179.2 | 179.6 | 177.4 | 0 | 117 | Q250 L259 R260 | Q250-K262 PolarHBondContact NE2-O 3.31Å; L259-K262 PolarHBondContact O-N 3.3Å; R260-K262 VanDerWaalsContact C-N 3.3Å; R260-K262 PolarHBondContact O-N 3.32Å | ||
| 263 | N | 81.4 | Confident | 85.4 | Confident | 37 Ų | 37 | 49.6 Ų | 49.6 | 20% | 0.198 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -82.1 | 122.6 | 178.9 | 169.9 | -7.7 | 0 | 0 | 0 | 110.3 | L261 V265 L266 M267 E499 | L261-N263 PolarHBondContact O-N 3.02Å; N263-V265 VanDerWaalsContact C-N 3.28Å; N263-V265 PolarHBondContact O-N 2.88Å; N263-V265 PolarHBondContact OD1-N 3.42Å; N263-L266 HydrophobicContact CB-CD1 3.78Å; N263-L266 HydrophobicContact CB-CD2 4.37Å; N263-L266 HydrophobicContact CB-CG 3.63Å; N263-L266 WeakPolarHBondContact ND2-CD2 3.37Å; N263-L266 PolarHBondContact O-N 3.13Å; N263-L266 VanDerWaalsContact O-N 3.12Å; N263-M267 WeakPolarHBondContact O-CG 3.47Å; N263-M267 PolarHBondContact O-N 3.15Å; N263-E499 PolarHBondContact ND2-OE2 2.78Å |
| 264 | P | 83.1 | Confident | 84.9 | Confident | 54 Ų | 54 | 49.7 Ų | 49.7 | 35% | 0.351 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -54.4 | -37.1 | -176.9 | -27.8 | 34.9 | 0 | 0 | 0 | 115 | M267 N268 | P264-M267 PolarHBondContact O-N 3.15Å; P264-N268 PolarHBondContact O-N 3.15Å; P264-N268 PolarHBondContact O-ND2 3.45Å |
| 265 | V | 81 | Confident | 84.2 | Confident | 32 Ų | 32 | 50.4 Ų | 50.4 | 19% | 0.194 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -63.3 | -46.1 | -179.8 | 178.1 | 0 | 0 | 0 | 0 | 109.8 | N263 M267 N268 E269 Y503 | N263-V265 VanDerWaalsContact C-N 3.28Å; N263-V265 PolarHBondContact O-N 2.88Å; N263-V265 PolarHBondContact OD1-N 3.42Å; V265-M267 VanDerWaalsContact C-N 3.34Å; V265-M267 PolarHBondContact O-N 3.37Å; V265-N268 PolarHBondContact O-N 2.86Å; V265-E269 PolarHBondContact O-N 3.38Å; V265-E269 VanDerWaalsContact O-N 3.09Å; V265-Y503 HydrophobicContact CG1-CD2 3.85Å; V265-Y503 HydrophobicContact CG1-CE2 3.38Å |
| 266 | L | 78.6 | Confident | 83 | Confident | 9 Ų | 9 | 52.9 Ų | 52.9 | 5% | 0.047 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -70.6 | -35.5 | -179.1 | -28.1 | -178.8 | 0 | 0 | 0 | 111.5 | L261 N263 N268 E269 K270 E499 | L261-L266 HydrophobicContact CB-CB 4.11Å; L261-L266 HydrophobicContact CB-CD1 4.3Å; L261-L266 HydrophobicContact CD1-CB 3.95Å; L261-L266 HydrophobicContact CG-CB 4.46Å; N263-L266 HydrophobicContact CB-CD1 3.78Å; N263-L266 HydrophobicContact CB-CD2 4.37Å; N263-L266 HydrophobicContact CB-CG 3.63Å; N263-L266 WeakPolarHBondContact ND2-CD2 3.37Å; N263-L266 PolarHBondContact O-N 3.13Å; N263-L266 VanDerWaalsContact O-N 3.12Å; L266-N268 VanDerWaalsContact C-N 3.31Å; L266-E269 PolarHBondContact O-N 3.28Å; L266-K270 VanDerWaalsContact O-CB 3.29Å; L266-K270 WeakPolarHBondContact O-CB 3.35Å; L266-K270 PolarHBondContact O-N 3.01Å; L266-E499 WeakPolarHBondContact CD1-OE1 3.44Å; L266-E499 VanDerWaalsContact CD1-OE2 3.27Å; L266-E499 WeakPolarHBondContact CD1-OE2 3.35Å; L266-E499 HydrophobicContact CD2-CB 4.17Å; L266-E499 WeakPolarHBondContact CD2-OE2 3.48Å |
| 267 | M | 85.6 | Confident | 81.9 | Confident | 2 Ų | 2 | 51.1 Ų | 51.1 | 1% | 0.01 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61 | -43.6 | 175.5 | -68.5 | -177 | 73.3 | 0 | 0 | 111.1 | R249 Q250 C253 V258 L259 L261 N263 P264 V265 C271 | R249-M267 WeakPolarHBondContact O-CE 3.35Å; Q250-M267 HydrophobicContact CB-SD 4.08Å; Q250-M267 HydrophobicContact CG-SD 4.1Å; C253-M267 HydrophobicContact CB-CE 4.14Å; V258-M267 HydrophobicContact CG1-CB 3.78Å; V258-M267 HydrophobicContact CG1-CE 4.01Å; V258-M267 HydrophobicContact CG1-CG 4.04Å; V258-M267 WeakPolarHBondContact CG1-O 3.13Å; L259-M267 HydrophobicContact CD2-CE 3.98Å; L261-M267 HydrophobicContact CB-CG 4.23Å; N263-M267 WeakPolarHBondContact O-CG 3.47Å; N263-M267 PolarHBondContact O-N 3.15Å; P264-M267 PolarHBondContact O-N 3.15Å; V265-M267 VanDerWaalsContact C-N 3.34Å; V265-M267 PolarHBondContact O-N 3.37Å; M267-C271 WeakPolarHBondContact O-CB 3.38Å; M267-C271 PolarHBondContact O-N 3.39Å |
| 268 | N | 84.6 | Confident | 80.1 | Confident | 58 Ų | 58 | 53.7 Ų | 53.7 | 31% | 0.31 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -61.9 | -50.7 | 176.1 | -69.3 | -24.5 | 0 | 0 | 0 | 111.3 | R249 P264 V265 L266 C271 L272 | R249-N268 VanDerWaalsContact CD-OD1 3.26Å; R249-N268 WeakPolarHBondContact CD-OD1 3.2Å; R249-N268 PolarHBondContact NH1-OD1 2.88Å; P264-N268 PolarHBondContact O-N 3.15Å; P264-N268 PolarHBondContact O-ND2 3.45Å; V265-N268 PolarHBondContact O-N 2.86Å; L266-N268 VanDerWaalsContact C-N 3.31Å; N268-C271 WeakPolarHBondContact O-CB 3.36Å; N268-C271 PolarHBondContact O-N 2.89Å; N268-L272 WeakPolarHBondContact O-CG 3.28Å; N268-L272 PolarHBondContact O-N 3.27Å |
| 269 | E | 79.6 | Confident | 77.9 | Confident | 11 Ų | 11 | 58.8 Ų | 58.8 | 5% | 0.051 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -61.8 | -47.5 | 180 | -71.2 | -178.5 | 171.5 | 0 | 0 | 112.6 | V265 L266 C271 L272 L273 R481 R484 Y503 | V265-E269 PolarHBondContact O-N 3.38Å; V265-E269 VanDerWaalsContact O-N 3.09Å; L266-E269 PolarHBondContact O-N 3.28Å; E269-C271 PolarHBondContact O-N 2.93Å; E269-L272 PolarHBondContact O-N 2.76Å; E269-L272 VanDerWaalsContact O-N 3.13Å; E269-L273 WeakPolarHBondContact O-CG 3.39Å; E269-L273 PolarHBondContact O-N 2.79Å; E269-R481 HydrophobicContact CG-CG 4.11Å; E269-R484 WeakPolarHBondContact OE2-CD 3.38Å; E269-R484 IonicContact OE2-CZ 2.91Å; E269-R484 IonicContact OE2-NE 3.1Å; E269-R484 IonicContact OE2-NH1 3.83Å; E269-R484 PolarHBondContact OE2-NH1 2.96Å; E269-Y503 WeakPolarHBondContact OE1-CE2 3.44Å; E269-Y503 PolarHBondContact OE1-OH 2.78Å |
| 270 | K | 83.2 | Confident | 75.6 | Confident | 76 Ų | 76 | 64.9 Ų | 64.9 | 33% | 0.33 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -60.5 | -38.5 | 178.2 | -175.4 | 64.3 | 174.5 | -174.8 | 0 | 111.1 | V258 L261 L266 L273 L274 | V258-K270 HydrophobicContact CG2-CG 4.03Å; L261-K270 HydrophobicContact CD1-CB 3.63Å; L261-K270 HydrophobicContact CD1-CG 4.02Å; L266-K270 VanDerWaalsContact O-CB 3.29Å; L266-K270 WeakPolarHBondContact O-CB 3.35Å; L266-K270 PolarHBondContact O-N 3.01Å; K270-L273 PolarHBondContact O-N 3.09Å; K270-L274 HydrophobicContact CG-CD1 4.35Å; K270-L274 VanDerWaalsContact O-CG 3.25Å; K270-L274 WeakPolarHBondContact O-CG 3.38Å; K270-L274 PolarHBondContact O-N 3.23Å |
| 271 | C | 88.4 | Confident | 72.9 | Confident | 12 Ų | 12 | 65.5 Ų | 65.5 | 8% | 0.081 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -64.4 | -40.3 | 176.2 | -175.1 | 0 | 0 | 0 | 0 | 112.3 | R249 M267 N268 E269 L274 Q275 | R249-C271 PolarHBondContact NE-SG 3.27Å; R249-C271 VanDerWaalsContact NE-SG 3.36Å; M267-C271 WeakPolarHBondContact O-CB 3.38Å; M267-C271 PolarHBondContact O-N 3.39Å; N268-C271 WeakPolarHBondContact O-CB 3.36Å; N268-C271 PolarHBondContact O-N 2.89Å; E269-C271 PolarHBondContact O-N 2.93Å; C271-L274 PolarHBondContact O-N 2.92Å; C271-Q275 PolarHBondContact O-N 3.46Å; C271-Q275 PolarHBondContact O-NE2 2.99Å |
| 272 | L | 84 | Confident | 70.5 | Confident | 46 Ų | 46 | 69.7 Ų | 69.7 | 24% | 0.241 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -67.7 | -42.8 | 175.6 | -68.7 | 170.3 | 0 | 0 | 0 | 111.7 | N268 E269 L274 Q275 N276 | N268-L272 WeakPolarHBondContact O-CG 3.28Å; N268-L272 PolarHBondContact O-N 3.27Å; E269-L272 PolarHBondContact O-N 2.76Å; E269-L272 VanDerWaalsContact O-N 3.13Å; L272-L274 VanDerWaalsContact C-N 3.29Å; L272-L274 PolarHBondContact O-N 2.95Å; L272-Q275 WeakPolarHBondContact O-CA 3.3Å; L272-Q275 WeakPolarHBondContact O-CB 3.36Å; L272-Q275 PolarHBondContact O-N 3.28Å; L272-N276 PolarHBondContact O-N 3.48Å; L272-N276 VanDerWaalsContact O-N 3.11Å |
| 273 | L | 80.4 | Confident | 68.2 | Low | 55 Ų | 55 | 70.8 Ų | 70.8 | 29% | 0.288 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -58.1 | -42 | 173.9 | -69.9 | 175.1 | 0 | 0 | 0 | 112 | E269 K270 Q275 N276 Y277 | E269-L273 WeakPolarHBondContact O-CG 3.39Å; E269-L273 PolarHBondContact O-N 2.79Å; K270-L273 PolarHBondContact O-N 3.09Å; L273-Q275 PolarHBondContact O-N 3.38Å; L273-N276 PolarHBondContact O-N 3.02Å; L273-Y277 VanDerWaalsContact O-CD2 3.3Å; L273-Y277 WeakPolarHBondContact O-CD2 3.48Å; L273-Y277 PolarHBondContact O-N 3.12Å |
| 274 | L | 84.3 | Confident | 65.9 | Low | 18 Ų | 18 | 75.9 Ų | 75.9 | 9% | 0.094 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -67.8 | -12.8 | 176.2 | -70.1 | 172.7 | 0 | 0 | 0 | 113.8 | V258 K270 C271 L272 Y277 R295 C296 | V258-L274 HydrophobicContact CG2-CD1 3.88Å; K270-L274 HydrophobicContact CG-CD1 4.35Å; K270-L274 VanDerWaalsContact O-CG 3.25Å; K270-L274 WeakPolarHBondContact O-CG 3.38Å; K270-L274 PolarHBondContact O-N 3.23Å; C271-L274 PolarHBondContact O-N 2.92Å; L272-L274 VanDerWaalsContact C-N 3.29Å; L272-L274 PolarHBondContact O-N 2.95Å; L274-Y277 HydrophobicContact CD2-CD2 4.5Å; L274-R295 CarbonylContact O-C 3.5Å; L274-R295 VanDerWaalsContact O-CA 3.27Å; L274-R295 WeakPolarHBondContact O-CA 3.27Å; L274-C296 HydrophobicContact CB-CB 4.02Å; L274-C296 PolarHBondContact O-N 3.12Å |
| 275 | Q | 78.6 | Confident | 63.4 | Low | 24 Ų | 24 | 78.2 Ų | 78.2 | 11% | 0.112 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -87.6 | -39.3 | 171.6 | -75.6 | 162.1 | 69.4 | 0 | 0 | 111.8 | C271 L272 L273 Y277 L299 Y333 | C271-Q275 PolarHBondContact O-N 3.46Å; C271-Q275 PolarHBondContact O-NE2 2.99Å; L272-Q275 WeakPolarHBondContact O-CA 3.3Å; L272-Q275 WeakPolarHBondContact O-CB 3.36Å; L272-Q275 PolarHBondContact O-N 3.28Å; L273-Q275 PolarHBondContact O-N 3.38Å; Q275-Y277 VanDerWaalsContact C-N 3.29Å; Q275-Y277 PolarHBondContact O-N 2.95Å; Q275-L299 HydrophobicContact CG-CD2 3.67Å; Q275-Y333 PolarHBondContact NE2-OH 3.26Å; Q275-Y333 PolarHBondContact OE1-OH 3.29Å |
| 276 | N | 67.7 | Low | 61.1 | Low | 67 Ų | 67 | 80 Ų | 80 | 36% | 0.358 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -77.9 | -7.8 | -174 | -68 | -7.8 | 0 | 0 | 0 | 114.5 | E195 L272 L273 S278 | E195-N276 WeakPolarHBondContact CG-ND2 3.47Å; E195-N276 PolarHBondContact OE1-ND2 2.74Å; L272-N276 PolarHBondContact O-N 3.48Å; L272-N276 VanDerWaalsContact O-N 3.11Å; L273-N276 PolarHBondContact O-N 3.02Å; N276-S278 PolarHBondContact O-N 3.34Å |
| 277 | Y | 66.8 | Low | 58.7 | Low | 66 Ų | 66 | 87.3 Ų | 87.3 | 26% | 0.259 | 47% | 0.471 | S | S | . | . | trans | -66.1 | 67.7 | 165.8 | -73.5 | -56.2 | 0 | 0 | 0 | 110.9 | L273 L274 Q275 K293 R295 | L273-Y277 VanDerWaalsContact O-CD2 3.3Å; L273-Y277 WeakPolarHBondContact O-CD2 3.48Å; L273-Y277 PolarHBondContact O-N 3.12Å; L274-Y277 HydrophobicContact CD2-CD2 4.5Å; Q275-Y277 VanDerWaalsContact C-N 3.29Å; Q275-Y277 PolarHBondContact O-N 2.95Å; Y277-K293 HydrophobicContact CD1-CB 3.86Å; Y277-K293 HydrophobicContact CD1-CD 4.48Å; Y277-K293 HydrophobicContact CE1-CB 3.66Å; Y277-K293 HydrophobicContact CE1-CD 3.59Å; Y277-K293 HydrophobicContact CE1-CG 3.8Å; Y277-K293 HydrophobicContact CE2-CB 4.46Å; Y277-K293 HydrophobicContact CG-CB 4.37Å; Y277-R295 WeakPolarHBondContact O-CG 3.1Å | ||
| 278 | S | 49.4 | Very low | 56.1 | Low | 89 Ų | 89 | 93 Ų | 93 | 62% | 0.622 | 51% | 0.512 | S | S | * | . | trans | -79.6 | 139.4 | 161.2 | -161.3 | 0 | 0 | 0 | 0 | 107.5 | N276 K280 | N276-S278 PolarHBondContact O-N 3.34Å; S278-K280 VanDerWaalsContact C-N 3.29Å; S278-K280 PolarHBondContact O-N 3.4Å | ||
| 279 | S | 42.4 | Very low | 53.8 | Low | 110 Ų | 110 | 95.6 Ų | 95.6 | 77% | 0.769 | 53% | 0.534 | S | S | * | . | trans | -61 | 78.4 | -170.7 | -49.1 | 0 | 0 | 0 | 0 | 113 | K281 | S279-K281 PolarHBondContact O-N 2.94Š| ||
| 280 | K | 38.6 | Very low | 51.5 | Low | 188 Ų | 188 | 100.9 Ų | 100.9 | 82% | 0.817 | 57% | 0.572 | S | S | * | * | trans | -66.6 | 92.3 | 158.6 | -82 | -176 | 178.8 | 175.2 | 0 | 106.6 | S278 H282 | S278-K280 VanDerWaalsContact C-N 3.29Å; S278-K280 PolarHBondContact O-N 3.4Å; K280-H282 PolarHBondContact O-N 3.45Å | ||
| 281 | K | 30.9 | Very low | 49.1 | Very low | 190 Ų | 190 | 109 Ų | 109 | 83% | 0.826 | 60% | 0.601 | S | S | * | * | trans | -61.7 | 83.5 | 161.8 | -79.1 | -179.8 | 176.5 | 172.8 | 0 | 107.2 | S279 K283 | S279-K281 PolarHBondContact O-N 2.94Å; K281-K283 VanDerWaalsContact C-N 3.29Å; K281-K283 PolarHBondContact O-N 3.12Å | ||
| 282 | H | 32.9 | Very low | 46.5 | Very low | 153 Ų | 153 | 112.2 Ų | 112.2 | 71% | 0.708 | 62% | 0.623 | S | S | * | * | trans | -69.4 | 99.8 | 156.9 | -96.6 | -82.8 | 0 | 0 | 0 | 106.7 | K280 D284 | K280-H282 PolarHBondContact O-N 3.45Å; H282-D284 PolarHBondContact O-N 3.37Å; H282-D284 VanDerWaalsContact O-N 3.09Å | ||
| 283 | K | 31.6 | Very low | 44.9 | Very low | 190 Ų | 190 | 115 Ų | 115 | 83% | 0.826 | 63% | 0.633 | S | S | * | * | trans | -71.3 | 79.8 | 160.4 | -80.5 | -178.8 | 171 | 179.9 | 0 | 106.4 | K281 | K281-K283 VanDerWaalsContact C-N 3.29Å; K281-K283 PolarHBondContact O-N 3.12Å | ||
| 284 | D | 32.9 | Very low | 44.1 | Very low | 144 Ų | 144 | 116.9 Ų | 116.9 | 77% | 0.77 | 65% | 0.65 | S | S | * | * | trans | -132.9 | 131.3 | 157 | -80.3 | -50.3 | 0 | 0 | 0 | 109 | H282 | H282-D284 PolarHBondContact O-N 3.37Å; H282-D284 VanDerWaalsContact O-N 3.09Å | ||
| 285 | A | 30.9 | Very low | 44 | Very low | 103 Ų | 103 | 121.6 Ų | 121.6 | 85% | 0.851 | 67% | 0.667 | S | S | * | * | trans | -82.5 | 146.4 | -155.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 286 | G | 30.8 | Very low | 44.4 | Very low | 68 Ų | 68 | 121.3 Ų | 121.3 | 70% | 0.701 | 67% | 0.667 | S | S | * | * | trans | 75.5 | 65.7 | 153.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 287 | D | 29.4 | Very low | 45.3 | Very low | 163 Ų | 163 | 121.9 Ų | 121.9 | 87% | 0.872 | 67% | 0.674 | S | S | * | * | -158.3 | 131.9 | 124.7 | -111 | -23.7 | 0 | 0 | 0 | 111.7 | S289 | D287-S289 PolarHBondContact O-N 3.25Š| |||
| 288 | S | 31.8 | Very low | 46.4 | Very low | 122 Ų | 122 | 120 Ų | 120 | 85% | 0.853 | 67% | 0.667 | S | S | * | * | trans | -100.6 | 68.3 | -165.7 | -60.1 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 289 | S | 34.4 | Very low | 48.2 | Very low | 113 Ų | 113 | 117.8 Ų | 117.8 | 79% | 0.79 | 65% | 0.649 | S | S | * | * | S | Bend | trans | -172.6 | 48.9 | 170.9 | 54 | 0 | 0 | 0 | 0 | 117.3 | D287 | D287-S289 PolarHBondContact O-N 3.25Š|
| 290 | S | 32.2 | Very low | 50.3 | Low | 121 Ų | 121 | 118.5 Ų | 118.5 | 85% | 0.846 | 64% | 0.635 | S | S | * | * | trans | -160.7 | 51.5 | 158.4 | 61.5 | 0 | 0 | 0 | 0 | 113.5 | C292 | S290-C292 PolarHBondContact O-N 2.88Š| ||
| 291 | R | 32.9 | Very low | 52.5 | Low | 248 Ų | 248 | 117.3 Ų | 117.3 | 94% | 0.936 | 63% | 0.632 | S | S | * | * | trans | -87.8 | 78.2 | -176.2 | -169.1 | 177.4 | 171.9 | 153.6 | -2.9 | 111.7 | ||||
| 292 | C | 34.1 | Very low | 55.3 | Low | 79 Ų | 79 | 116.2 Ų | 116.2 | 53% | 0.534 | 63% | 0.63 | S | S | . | * | trans | -147.3 | 78.5 | 173.4 | -88.2 | 0 | 0 | 0 | 0 | 113.9 | Q175 S290 | Q175-C292 PolarHBondContact NE2-SG 3.4Å; S290-C292 PolarHBondContact O-N 2.88Å | ||
| 293 | K | 50.8 | Low | 57.9 | Low | 105 Ų | 105 | 109.2 Ų | 109.2 | 46% | 0.457 | 60% | 0.599 | S | S | . | * | trans | -141.6 | 73.9 | 165.7 | -72.6 | -179.1 | 174.5 | -169 | 0 | 109.5 | D181 Y277 | D181-K293 IonicContact OD2-NZ 3.23Å; D181-K293 PolarHBondContact OD2-NZ 3.43Å; Y277-K293 HydrophobicContact CD1-CB 3.86Å; Y277-K293 HydrophobicContact CD1-CD 4.48Å; Y277-K293 HydrophobicContact CE1-CB 3.66Å; Y277-K293 HydrophobicContact CE1-CD 3.59Å; Y277-K293 HydrophobicContact CE1-CG 3.8Å; Y277-K293 HydrophobicContact CE2-CB 4.46Å; Y277-K293 HydrophobicContact CG-CB 4.37Å | ||
| 294 | S | 63.7 | Low | 60.8 | Low | 93 Ų | 93 | 100.5 Ų | 100.5 | 65% | 0.65 | 56% | 0.561 | S | S | * | * | P | Polyproline II helix | trans | -101.6 | 155 | 179.1 | 59.5 | 0 | 0 | 0 | 0 | 112.1 | ||
| 295 | R | 80.7 | Confident | 63.5 | Low | 118 Ų | 118 | 100 Ų | 100 | 45% | 0.445 | 55% | 0.552 | S | S | . | * | P | Polyproline II helix | trans | -57.1 | 159.5 | 173.8 | -66.7 | 175.9 | 70.9 | 139.4 | 0 | 111.4 | L274 Y277 P297 | L274-R295 CarbonylContact O-C 3.5Å; L274-R295 VanDerWaalsContact O-CA 3.27Å; L274-R295 WeakPolarHBondContact O-CA 3.27Å; Y277-R295 WeakPolarHBondContact O-CG 3.1Å; R295-P297 WeakPolarHBondContact O-CD 3.4Å; R295-P297 VanDerWaalsContact O-N 3.13Å |
| 296 | C | 86.9 | Confident | 66.4 | Low | 17 Ų | 17 | 99 Ų | 99 | 12% | 0.115 | 53% | 0.53 | C | S | . | . | P | Polyproline II helix | trans | -53.3 | 120.1 | 172.3 | -174.3 | 0 | 0 | 0 | 0 | 110.6 | L274 F298 L299 | L274-C296 HydrophobicContact CB-CB 4.02Å; L274-C296 PolarHBondContact O-N 3.12Å; C296-F298 PolarHBondContact O-N 3.34Å; C296-F298 VanDerWaalsContact O-N 3.13Å; C296-L299 HydrophobicContact CB-CB 4.17Å; C296-L299 PolarHBondContact O-N 2.94Å; C296-L299 VanDerWaalsContact O-N 3.12Å |
| 297 | P | 86.5 | Confident | 69.4 | Low | 79 Ų | 79 | 95.8 Ų | 95.8 | 51% | 0.513 | 50% | 0.497 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -20 | -174.1 | 25 | -33.7 | 0 | 0 | 0 | 113.2 | R295 | R295-P297 WeakPolarHBondContact O-CD 3.4Å; R295-P297 VanDerWaalsContact O-N 3.13Å |
| 298 | F | 91.2 | Very high | 72.4 | Confident | 26 Ų | 26 | 88.3 Ų | 88.3 | 11% | 0.114 | 46% | 0.458 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | -8.4 | -179.7 | -53.9 | -77.5 | 0 | 0 | 0 | 113.5 | I254 N255 C296 R300 Q328 A329 C330 | I254-F298 HydrophobicContact CD1-CB 4.42Å; I254-F298 HydrophobicContact CD1-CD1 3.39Å; I254-F298 HydrophobicContact CD1-CE1 3.7Å; I254-F298 HydrophobicContact CD1-CG 3.93Å; I254-F298 HydrophobicContact CD1-CZ 4.49Å; I254-F298 HydrophobicContact CG1-CB 4.48Å; I254-F298 HydrophobicContact CG1-CD1 3.82Å; I254-F298 HydrophobicContact CG1-CD2 4.25Å; I254-F298 HydrophobicContact CG1-CE1 4.03Å; I254-F298 HydrophobicContact CG1-CE2 4.47Å; I254-F298 HydrophobicContact CG1-CG 3.92Å; I254-F298 HydrophobicContact CG1-CZ 4.36Å; N255-F298 HydrophobicContact CB-CD2 3.83Å; N255-F298 HydrophobicContact CB-CE2 3.74Å; C296-F298 PolarHBondContact O-N 3.34Å; C296-F298 VanDerWaalsContact O-N 3.13Å; F298-R300 PolarHBondContact O-N 2.89Å; F298-R300 VanDerWaalsContact O-N 3.16Å; F298-Q328 HydrophobicContact CD1-CB 4.45Å; F298-A329 CarbonylContact O-C 3.53Å; F298-C330 HydrophobicContact CB-CB 4.08Å; F298-C330 WeakPolarHBondContact O-CB 3.33Å; F298-C330 PolarHBondContact O-N 3.25Å |
| 299 | L | 87.2 | Confident | 75.2 | Confident | 44 Ų | 44 | 84.3 Ų | 84.3 | 23% | 0.23 | 43% | 0.426 | C | S | . | . | trans | -89.6 | 49.7 | 179.2 | -165.8 | 68.5 | 0 | 0 | 0 | 111.3 | Q275 C296 V304 Y333 | Q275-L299 HydrophobicContact CG-CD2 3.67Å; C296-L299 HydrophobicContact CB-CB 4.17Å; C296-L299 PolarHBondContact O-N 2.94Å; C296-L299 VanDerWaalsContact O-N 3.12Å; L299-V304 HydrophobicContact CD1-CG2 4.46Å; L299-Y333 HydrophobicContact CD1-CD1 4.42Å; L299-Y333 HydrophobicContact CD1-CD2 3.49Å; L299-Y333 VanDerWaalsContact CD1-CD2 3.49Å; L299-Y333 HydrophobicContact CD1-CE2 4.13Å; L299-Y333 HydrophobicContact CD1-CG 3.7Å | ||
| 300 | R | 86.2 | Confident | 77.9 | Confident | 125 Ų | 125 | 79.6 Ų | 79.6 | 47% | 0.472 | 39% | 0.391 | S | S | . | . | trans | -86.9 | 121.9 | 173.1 | -68.2 | -177.4 | -69 | 131.7 | 6.2 | 108.6 | F298 E302 G303 V304 I327 Q328 | F298-R300 PolarHBondContact O-N 2.89Å; F298-R300 VanDerWaalsContact O-N 3.16Å; R300-E302 VanDerWaalsContact C-N 3.32Å; R300-E302 PolarHBondContact O-N 3.34Å; R300-G303 PolarHBondContact O-N 3.48Å; R300-V304 VanDerWaalsContact O-CG2 3.31Å; R300-V304 WeakPolarHBondContact O-CG2 3.32Å; R300-V304 PolarHBondContact O-N 3.17Å; R300-I327 PolarHBondContact NH2-O 3.27Å; R300-Q328 PolarHBondContact NH2-O 2.88Å | ||
| 301 | Q | 85.5 | Confident | 80.7 | Confident | 162 Ų | 162 | 73.8 Ų | 73.8 | 76% | 0.757 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -54.8 | -45.2 | -173.7 | -72.3 | -177.3 | -15 | 0 | 0 | 113 | V304 K305 | Q301-V304 PolarHBondContact O-N 3.4Å; Q301-K305 WeakPolarHBondContact O-CB 3.47Å; Q301-K305 VanDerWaalsContact O-CG 3.32Å; Q301-K305 WeakPolarHBondContact O-CG 3.33Å; Q301-K305 PolarHBondContact O-N 3.49Å |
| 302 | E | 88.1 | Confident | 83.4 | Confident | 168 Ų | 168 | 62.1 Ų | 62.1 | 79% | 0.785 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -63.1 | -47.4 | 179.5 | -174.3 | 171 | -160.2 | 0 | 0 | 112.3 | R300 V304 K305 Q306 | R300-E302 VanDerWaalsContact C-N 3.32Å; R300-E302 PolarHBondContact O-N 3.34Å; E302-V304 VanDerWaalsContact C-N 3.35Å; E302-V304 PolarHBondContact O-N 3.43Å; E302-K305 PolarHBondContact O-N 2.68Å; E302-Q306 PolarHBondContact O-N 2.93Å |
| 303 | G | 88.4 | Confident | 85.9 | Confident | 6 Ų | 6 | 60.3 Ų | 60.3 | 6% | 0.062 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -65.2 | -37.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | R300 L307 A329 | R300-G303 PolarHBondContact O-N 3.48Å; G303-L307 WeakPolarHBondContact O-CB 3.29Å; G303-L307 PolarHBondContact O-N 3.12Å; G303-A329 WeakPolarHBondContact O-CB 3.38Å |
| 304 | V | 91.3 | Very high | 87.3 | Confident | 6 Ų | 6 | 56.1 Ų | 56.1 | 4% | 0.036 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -65.9 | -43.8 | 176.5 | 171.5 | 0 | 0 | 0 | 0 | 110.7 | L299 R300 Q301 E302 L307 A308 C330 A334 | L299-V304 HydrophobicContact CD1-CG2 4.46Å; R300-V304 VanDerWaalsContact O-CG2 3.31Å; R300-V304 WeakPolarHBondContact O-CG2 3.32Å; R300-V304 PolarHBondContact O-N 3.17Å; Q301-V304 PolarHBondContact O-N 3.4Å; E302-V304 VanDerWaalsContact C-N 3.35Å; E302-V304 PolarHBondContact O-N 3.43Å; V304-L307 PolarHBondContact O-N 3.39Å; V304-A308 VanDerWaalsContact O-CB 3.29Å; V304-A308 WeakPolarHBondContact O-CB 3.48Å; V304-A308 PolarHBondContact O-N 3.29Å; V304-C330 HydrophobicContact CG2-CB 4.25Å; V304-A334 HydrophobicContact CG1-CB 4.28Å |
| 305 | K | 91.2 | Very high | 87.9 | Confident | 134 Ų | 134 | 52 Ų | 52 | 58% | 0.583 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -62.1 | -45.8 | 175.6 | -74.5 | -180 | 179.7 | -173.1 | 0 | 111.9 | Q301 E302 L307 A308 E309 | Q301-K305 WeakPolarHBondContact O-CB 3.47Å; Q301-K305 VanDerWaalsContact O-CG 3.32Å; Q301-K305 WeakPolarHBondContact O-CG 3.33Å; Q301-K305 PolarHBondContact O-N 3.49Å; E302-K305 PolarHBondContact O-N 2.68Å; K305-L307 PolarHBondContact O-N 3.24Å; K305-A308 WeakPolarHBondContact O-CB 3.47Å; K305-A308 PolarHBondContact O-N 3.49Å; K305-E309 PolarHBondContact O-N 3.39Å; K305-E309 VanDerWaalsContact O-N 3.12Å |
| 306 | Q | 91.1 | Very high | 88.1 | Confident | 82 Ų | 82 | 47.7 Ų | 47.7 | 38% | 0.383 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -58.1 | -49.8 | 175.2 | -179.1 | -177.7 | -5.1 | 0 | 0 | 111.1 | E302 A308 E309 E310 I327 | E302-Q306 PolarHBondContact O-N 2.93Å; Q306-A308 VanDerWaalsContact C-N 3.27Å; Q306-A308 PolarHBondContact O-N 2.78Å; Q306-E309 PolarHBondContact O-N 3.24Å; Q306-E310 HydrophobicContact CG-CG 4.44Å; Q306-E310 PolarHBondContact NE2-OE1 2.98Å; Q306-E310 WeakPolarHBondContact O-CB 3.12Å; Q306-E310 WeakPolarHBondContact O-CG 3.39Å; Q306-E310 PolarHBondContact O-N 2.71Å; Q306-I327 HydrophobicContact CG-CD1 4.46Å |
| 307 | L | 93.3 | Very high | 88 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -64.9 | -32.3 | 179.5 | -171.4 | 58.9 | 0 | 0 | 0 | 112.3 | G303 V304 K305 E310 S311 I320 R323 I327 A329 P331 A334 | G303-L307 WeakPolarHBondContact O-CB 3.29Å; G303-L307 PolarHBondContact O-N 3.12Å; V304-L307 PolarHBondContact O-N 3.39Å; K305-L307 PolarHBondContact O-N 3.24Å; L307-E310 PolarHBondContact O-N 3.26Å; L307-S311 WeakPolarHBondContact O-CB 3.28Å; L307-S311 PolarHBondContact O-N 2.93Å; L307-S311 PolarHBondContact O-OG 3.21Å; L307-I320 HydrophobicContact CD1-CG2 4.32Å; L307-I320 HydrophobicContact CG-CG2 4.49Å; L307-R323 HydrophobicContact CD1-CB 4.06Å; L307-R323 HydrophobicContact CD1-CG 3.78Å; L307-I327 HydrophobicContact CB-CD1 3.65Å; L307-I327 HydrophobicContact CD1-CD1 4.09Å; L307-I327 HydrophobicContact CG-CD1 4.31Å; L307-A329 HydrophobicContact CB-CB 4.25Å; L307-A329 HydrophobicContact CD2-CB 4.14Å; L307-P331 HydrophobicContact CD2-CB 4.28Å; L307-P331 HydrophobicContact CD2-CG 4.13Å; L307-A334 HydrophobicContact CB-CB 3.64Å; L307-A334 HydrophobicContact CD2-CB 3.73Å; L307-A334 HydrophobicContact CG-CB 3.62Å |
| 308 | A | 92.3 | Very high | 88.1 | Confident | 6 Ų | 6 | 51.6 Ų | 51.6 | 5% | 0.05 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -63.6 | -50.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | V304 K305 Q306 E310 S311 A334 D337 A338 | V304-A308 VanDerWaalsContact O-CB 3.29Å; V304-A308 WeakPolarHBondContact O-CB 3.48Å; V304-A308 PolarHBondContact O-N 3.29Å; K305-A308 WeakPolarHBondContact O-CB 3.47Å; K305-A308 PolarHBondContact O-N 3.49Å; Q306-A308 VanDerWaalsContact C-N 3.27Å; Q306-A308 PolarHBondContact O-N 2.78Å; A308-E310 PolarHBondContact O-N 3.46Å; A308-S311 PolarHBondContact O-N 2.79Å; A308-S311 PolarHBondContact O-OG 3.31Å; A308-A334 WeakPolarHBondContact CA-O 3.13Å; A308-A334 HydrophobicContact CB-CB 4.32Å; A308-A334 WeakPolarHBondContact CB-O 3.42Å; A308-D337 HydrophobicContact CB-CB 4.09Å; A308-A338 HydrophobicContact CB-CB 4.17Å; A308-A338 WeakPolarHBondContact O-CB 3.48Å |
| 309 | E | 91.9 | Very high | 87.9 | Confident | 39 Ų | 39 | 53.6 Ų | 53.6 | 18% | 0.182 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -62.3 | -43 | 175.5 | -64.7 | 179.5 | 151 | 0 | 0 | 111.5 | R145 V149 K305 Q306 S311 L312 | R145-E309 IonicContact CZ-OE1 3.03Å; R145-E309 IonicContact CZ-OE2 3.94Å; R145-E309 IonicContact NE-OE1 3.47Å; R145-E309 PolarHBondContact NE-OE1 2.83Å; R145-E309 IonicContact NE-OE2 2.78Å; R145-E309 PolarHBondContact NE-OE2 3.01Å; R145-E309 IonicContact NH2-OE1 3.87Å; R145-E309 IonicContact NH2-OE2 2.91Å; R145-E309 PolarHBondContact NH2-OE2 3.29Å; V149-E309 HydrophobicContact CG1-CB 4.07Å; V149-E309 HydrophobicContact CG2-CB 4.01Å; K305-E309 PolarHBondContact O-N 3.39Å; K305-E309 VanDerWaalsContact O-N 3.12Å; Q306-E309 PolarHBondContact O-N 3.24Å; E309-S311 VanDerWaalsContact C-N 3.31Å; E309-S311 PolarHBondContact O-N 3.07Å; E309-L312 PolarHBondContact O-N 2.78Å |
| 310 | E | 91.5 | Very high | 88.1 | Confident | 13 Ų | 13 | 51.5 Ų | 51.5 | 6% | 0.061 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -64.7 | -35.4 | 178.2 | -72.2 | -177.9 | -176.4 | 0 | 0 | 112.2 | V149 L153 Q306 L307 A308 L312 C313 I314 R323 | V149-E310 HydrophobicContact CG1-CG 4.17Å; L153-E310 HydrophobicContact CD1-CB 3.88Å; L153-E310 HydrophobicContact CD1-CG 4.01Å; L153-E310 HydrophobicContact CD2-CB 4.08Å; L153-E310 HydrophobicContact CD2-CG 3.72Å; L153-E310 HydrophobicContact CG-CB 4.3Å; L153-E310 HydrophobicContact CG-CG 3.9Å; Q306-E310 HydrophobicContact CG-CG 4.44Å; Q306-E310 PolarHBondContact NE2-OE1 2.98Å; Q306-E310 WeakPolarHBondContact O-CB 3.12Å; Q306-E310 WeakPolarHBondContact O-CG 3.39Å; Q306-E310 PolarHBondContact O-N 2.71Å; L307-E310 PolarHBondContact O-N 3.26Å; A308-E310 PolarHBondContact O-N 3.46Å; E310-L312 VanDerWaalsContact C-N 3.25Å; E310-L312 PolarHBondContact O-N 2.76Å; E310-C313 PolarHBondContact O-N 3.07Å; E310-C313 VanDerWaalsContact O-N 3.13Å; E310-I314 HydrophobicContact CB-CD1 4.44Å; E310-I314 WeakPolarHBondContact O-CG1 3.07Å; E310-I314 PolarHBondContact O-N 3.02Å; E310-R323 IonicContact OE1-CZ 3.55Å; E310-R323 IonicContact OE1-NE 3.38Å; E310-R323 IonicContact OE1-NH2 2.93Å; E310-R323 PolarHBondContact OE1-NH2 3.5Å; E310-R323 VanDerWaalsContact OE2-CG 3.27Å; E310-R323 WeakPolarHBondContact OE2-CG 3.25Å; E310-R323 IonicContact OE2-CZ 2.66Å; E310-R323 IonicContact OE2-NE 3.75Å; E310-R323 PolarHBondContact OE2-NE 2.89Å; E310-R323 IonicContact OE2-NH2 2.8Å; E310-R323 PolarHBondContact OE2-NH2 2.74Å |
| 311 | S | 90.6 | Very high | 88.4 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62.5 | -31.6 | -177.5 | 73 | 0 | 0 | 0 | 0 | 113.3 | L307 A308 E309 C313 I314 G315 A338 | L307-S311 WeakPolarHBondContact O-CB 3.28Å; L307-S311 PolarHBondContact O-N 2.93Å; L307-S311 PolarHBondContact O-OG 3.21Å; A308-S311 PolarHBondContact O-N 2.79Å; A308-S311 PolarHBondContact O-OG 3.31Å; E309-S311 VanDerWaalsContact C-N 3.31Å; E309-S311 PolarHBondContact O-N 3.07Å; S311-C313 PolarHBondContact O-N 3.48Å; S311-I314 PolarHBondContact O-N 3.27Å; S311-I314 VanDerWaalsContact O-N 3.15Å; S311-G315 PolarHBondContact O-N 3Å; S311-A338 WeakPolarHBondContact OG-CB 3.18Å |
| 312 | L | 89 | Confident | 88.7 | Confident | 2 Ų | 2 | 42.8 Ų | 42.8 | 1% | 0.01 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -64 | -25.7 | 177.9 | -66.8 | 167.7 | 0 | 0 | 0 | 113.4 | L146 H242 V243 V244 E309 E310 A338 L341 A342 | L146-L312 HydrophobicContact CD2-CD1 3.55Å; H242-L312 HydrophobicContact CB-CB 4.19Å; H242-L312 HydrophobicContact CB-CD2 4.27Å; V243-L312 PolarHBondContact N-O 2.76Å; V243-L312 VanDerWaalsContact N-O 3.11Å; V244-L312 HydrophobicContact CB-CD2 4.42Å; E309-L312 PolarHBondContact O-N 2.78Å; E310-L312 VanDerWaalsContact C-N 3.25Å; E310-L312 PolarHBondContact O-N 2.76Å; L312-A338 HydrophobicContact CD2-CB 4.05Å; L312-A338 HydrophobicContact CG-CB 4.11Å; L312-L341 HydrophobicContact CD1-CB 3.6Å; L312-L341 HydrophobicContact CD1-CD1 4.29Å; L312-A342 HydrophobicContact CD2-CB 3.66Å |
| 313 | C | 85.8 | Confident | 88.9 | Confident | 41 Ų | 41 | 36.1 Ų | 36.1 | 28% | 0.277 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -96.2 | -15.3 | 178.3 | -64.4 | 0 | 0 | 0 | 0 | 112.6 | L153 E310 S311 | L153-C313 HydrophobicContact CD1-CB 3.61Å; E310-C313 PolarHBondContact O-N 3.07Å; E310-C313 VanDerWaalsContact O-N 3.13Å; S311-C313 PolarHBondContact O-N 3.48Å |
| 314 | I | 81.3 | Confident | 89.1 | Confident | 17 Ų | 17 | 35.8 Ų | 35.8 | 9% | 0.087 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -92.2 | -50.6 | -178.7 | -66.1 | 167.9 | 0 | 0 | 0 | 110.7 | L153 E310 S311 D316 E319 I320 R323 | L153-I314 HydrophobicContact CD1-CG1 4.43Å; E310-I314 HydrophobicContact CB-CD1 4.44Å; E310-I314 WeakPolarHBondContact O-CG1 3.07Å; E310-I314 PolarHBondContact O-N 3.02Å; S311-I314 PolarHBondContact O-N 3.27Å; S311-I314 VanDerWaalsContact O-N 3.15Å; I314-D316 PolarHBondContact O-N 3.09Å; I314-E319 HydrophobicContact CG2-CB 3.26Å; I314-E319 HydrophobicContact CG2-CG 4.29Å; I314-I320 HydrophobicContact CB-CG1 4.03Å; I314-I320 HydrophobicContact CD1-CG1 4.47Å; I314-I320 HydrophobicContact CG2-CG1 3.73Å; I314-R323 HydrophobicContact CD1-CB 4.31Å; I314-R323 HydrophobicContact CD1-CG 4.3Å |
| 315 | G | 76.2 | Confident | 89.2 | Confident | 7 Ų | 7 | 40.6 Ų | 40.6 | 7% | 0.072 | 20% | 0.198 | C | C | . | . | trans | 70.9 | -34 | 179.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | T245 S311 | T245-G315 PolarHBondContact OG1-O 2.84Å; S311-G315 PolarHBondContact O-N 3Å | ||
| 316 | D | 84.3 | Confident | 89.2 | Confident | 28 Ų | 28 | 39 Ų | 39 | 15% | 0.15 | 19% | 0.192 | C | C | . | . | trans | -85.8 | 131.4 | -178.2 | -175.8 | 86.7 | 0 | 0 | 0 | 113.2 | I314 E318 E319 I320 | I314-D316 PolarHBondContact O-N 3.09Å; D316-E318 PolarHBondContact O-N 2.82Å; D316-E318 WeakPolarHBondContact OD2-CA 3.4Å; D316-E318 WeakPolarHBondContact OD2-CB 3.46Å; D316-E318 PolarHBondContact OD2-N 3.33Å; D316-E319 HydrophobicContact CB-CB 4.24Å; D316-E319 HydrophobicContact CB-CG 4.29Å; D316-E319 PolarHBondContact O-N 3.36Å; D316-E319 PolarHBondContact OD2-N 2.83Å; D316-E319 VanDerWaalsContact OD2-N 3.12Å; D316-I320 WeakPolarHBondContact O-CD1 3.32Å; D316-I320 WeakPolarHBondContact O-CG1 3.34Å; D316-I320 PolarHBondContact O-N 3.31Å | ||
| 317 | I | 86.2 | Confident | 89.2 | Confident | 31 Ų | 31 | 36.3 Ų | 36.3 | 16% | 0.159 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -60.7 | -43.9 | -176.8 | -64.6 | 172.5 | 0 | 0 | 0 | 111.6 | T245 A247 L252 I320 V321 | T245-I317 HydrophobicContact CG2-CD1 3.64Å; T245-I317 HydrophobicContact CG2-CG1 3.79Å; A247-I317 HydrophobicContact CB-CD1 3.77Å; L252-I317 HydrophobicContact CD2-CG2 3.82Å; L252-I317 HydrophobicContact CG-CG2 4.45Å; I317-I320 PolarHBondContact O-N 3.45Å; I317-V321 HydrophobicContact CG2-CG2 4.32Å; I317-V321 WeakPolarHBondContact O-CB 3.39Å; I317-V321 VanDerWaalsContact O-CG2 3.28Å; I317-V321 WeakPolarHBondContact O-CG2 3.47Å; I317-V321 PolarHBondContact O-N 3.48Å |
| 318 | E | 86.7 | Confident | 89.2 | Confident | 146 Ų | 146 | 40.8 Ų | 40.8 | 68% | 0.682 | 20% | 0.201 | S | C | * | . | H | α-helix | trans | -68 | -41.7 | -175.4 | -60.6 | -178.4 | 179.2 | 0 | 0 | 110.7 | D316 V321 N322 | D316-E318 PolarHBondContact O-N 2.82Å; D316-E318 WeakPolarHBondContact OD2-CA 3.4Å; D316-E318 WeakPolarHBondContact OD2-CB 3.46Å; D316-E318 PolarHBondContact OD2-N 3.33Å; E318-V321 PolarHBondContact O-N 3Å; E318-N322 WeakPolarHBondContact O-CB 3.31Å; E318-N322 VanDerWaalsContact O-CG 3.23Å; E318-N322 PolarHBondContact O-N 3.48Å; E318-N322 PolarHBondContact O-ND2 3.07Å; E318-N322 VanDerWaalsContact O-ND2 3.09Å |
| 319 | E | 87.8 | Confident | 89.2 | Confident | 69 Ų | 69 | 40.5 Ų | 40.5 | 32% | 0.322 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -61.8 | -43.4 | 173.4 | -72.3 | -170.5 | -150.9 | 0 | 0 | 111.8 | K157 I314 D316 V321 N322 R323 | K157-E319 IonicContact NZ-OE2 2.76Å; K157-E319 PolarHBondContact NZ-OE2 3.32Å; I314-E319 HydrophobicContact CG2-CB 3.26Å; I314-E319 HydrophobicContact CG2-CG 4.29Å; D316-E319 HydrophobicContact CB-CB 4.24Å; D316-E319 HydrophobicContact CB-CG 4.29Å; D316-E319 PolarHBondContact O-N 3.36Å; D316-E319 PolarHBondContact OD2-N 2.83Å; D316-E319 VanDerWaalsContact OD2-N 3.12Å; E319-V321 PolarHBondContact O-N 3.3Å; E319-N322 PolarHBondContact O-N 2.92Å; E319-R323 WeakPolarHBondContact O-CB 3.45Å; E319-R323 PolarHBondContact O-N 3.47Å |
| 320 | I | 91.4 | Very high | 89.4 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -63.7 | -41.6 | 177.7 | -63.7 | 161.8 | 0 | 0 | 0 | 110.8 | L307 I314 D316 I317 R323 G324 P331 T335 | L307-I320 HydrophobicContact CD1-CG2 4.32Å; L307-I320 HydrophobicContact CG-CG2 4.49Å; I314-I320 HydrophobicContact CB-CG1 4.03Å; I314-I320 HydrophobicContact CD1-CG1 4.47Å; I314-I320 HydrophobicContact CG2-CG1 3.73Å; D316-I320 WeakPolarHBondContact O-CD1 3.32Å; D316-I320 WeakPolarHBondContact O-CG1 3.34Å; D316-I320 PolarHBondContact O-N 3.31Å; I317-I320 PolarHBondContact O-N 3.45Å; I320-R323 PolarHBondContact O-N 2.95Å; I320-G324 PolarHBondContact O-N 2.66Å; I320-P331 HydrophobicContact CG2-CB 4.06Å; I320-T335 HydrophobicContact CD1-CG2 4.22Å; I320-T335 HydrophobicContact CG2-CG2 4.23Å |
| 321 | V | 93.1 | Very high | 89.6 | Confident | 17 Ų | 17 | 38.6 Ų | 38.6 | 10% | 0.103 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63.4 | -45.5 | 177.7 | 167.5 | 0 | 0 | 0 | 0 | 111.1 | S251 L252 I254 I317 E318 E319 R323 G324 K325 P331 | S251-V321 WeakPolarHBondContact O-CG2 3.41Å; L252-V321 HydrophobicContact CD2-CG2 4.06Å; I254-V321 HydrophobicContact CG2-CG1 3.82Å; I317-V321 HydrophobicContact CG2-CG2 4.32Å; I317-V321 WeakPolarHBondContact O-CB 3.39Å; I317-V321 VanDerWaalsContact O-CG2 3.28Å; I317-V321 WeakPolarHBondContact O-CG2 3.47Å; I317-V321 PolarHBondContact O-N 3.48Å; E318-V321 PolarHBondContact O-N 3Å; E319-V321 PolarHBondContact O-N 3.3Å; V321-R323 VanDerWaalsContact C-N 3.33Å; V321-R323 PolarHBondContact O-N 2.92Å; V321-G324 PolarHBondContact O-N 3.24Å; V321-K325 WeakPolarHBondContact O-CG 3.47Å; V321-K325 PolarHBondContact O-N 2.78Å; V321-P331 HydrophobicContact CG2-CB 4.46Å; V321-P331 HydrophobicContact CG2-CG 4.46Å |
| 322 | N | 92.3 | Very high | 89.8 | Confident | 86 Ų | 86 | 39 Ų | 39 | 46% | 0.46 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -61.5 | -44.5 | 176.6 | -71.1 | -31.5 | 0 | 0 | 0 | 111 | E318 E319 G324 K325 E326 | E318-N322 WeakPolarHBondContact O-CB 3.31Å; E318-N322 VanDerWaalsContact O-CG 3.23Å; E318-N322 PolarHBondContact O-N 3.48Å; E318-N322 PolarHBondContact O-ND2 3.07Å; E318-N322 VanDerWaalsContact O-ND2 3.09Å; E319-N322 PolarHBondContact O-N 2.92Å; N322-G324 PolarHBondContact O-N 2.82Å; N322-K325 WeakPolarHBondContact O-CB 3.33Å; N322-K325 PolarHBondContact O-N 3.33Å; N322-E326 WeakPolarHBondContact O-CG 3.19Å; N322-E326 PolarHBondContact O-N 2.77Å; N322-E326 VanDerWaalsContact O-N 3.13Å |
| 323 | R | 91.5 | Very high | 89.9 | Confident | 28 Ų | 28 | 39.5 Ų | 39.5 | 11% | 0.106 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -61.9 | -43 | 176.5 | -173.3 | 56.7 | -180 | 151 | 4.9 | 112.2 | L307 E310 I314 E319 I320 V321 K325 E326 I327 | L307-R323 HydrophobicContact CD1-CB 4.06Å; L307-R323 HydrophobicContact CD1-CG 3.78Å; E310-R323 IonicContact OE1-CZ 3.55Å; E310-R323 IonicContact OE1-NE 3.38Å; E310-R323 IonicContact OE1-NH2 2.93Å; E310-R323 PolarHBondContact OE1-NH2 3.5Å; E310-R323 VanDerWaalsContact OE2-CG 3.27Å; E310-R323 WeakPolarHBondContact OE2-CG 3.25Å; E310-R323 IonicContact OE2-CZ 2.66Å; E310-R323 IonicContact OE2-NE 3.75Å; E310-R323 PolarHBondContact OE2-NE 2.89Å; E310-R323 IonicContact OE2-NH2 2.8Å; E310-R323 PolarHBondContact OE2-NH2 2.74Å; I314-R323 HydrophobicContact CD1-CB 4.31Å; I314-R323 HydrophobicContact CD1-CG 4.3Å; E319-R323 WeakPolarHBondContact O-CB 3.45Å; E319-R323 PolarHBondContact O-N 3.47Å; I320-R323 PolarHBondContact O-N 2.95Å; V321-R323 VanDerWaalsContact C-N 3.33Å; V321-R323 PolarHBondContact O-N 2.92Å; R323-K325 VanDerWaalsContact C-N 3.29Å; R323-K325 PolarHBondContact O-N 2.65Å; R323-E326 WeakPolarHBondContact CD-OE2 3.3Å; R323-E326 IonicContact CZ-OE2 3.39Å; R323-E326 IonicContact NH1-OE2 3.3Å; R323-E326 PolarHBondContact NH1-OE2 3.26Å; R323-E326 WeakPolarHBondContact O-CB 3.23Å; R323-E326 PolarHBondContact O-N 3.06Å; R323-E326 VanDerWaalsContact O-N 3.07Å; R323-I327 WeakPolarHBondContact O-CG1 3.38Å; R323-I327 PolarHBondContact O-N 2.82Å |
| 324 | G | 93.3 | Very high | 90.3 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -60.7 | -35.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | I254 I320 V321 N322 Q328 A329 | I254-G324 WeakPolarHBondContact CD1-O 3.24Å; I320-G324 PolarHBondContact O-N 2.66Å; V321-G324 PolarHBondContact O-N 3.24Å; N322-G324 PolarHBondContact O-N 2.82Å; G324-Q328 CarbonylContact O-C 3.58Å; G324-Q328 VanDerWaalsContact O-CA 3.23Å; G324-Q328 WeakPolarHBondContact O-CA 3.44Å; G324-Q328 PolarHBondContact O-N 2.81Å; G324-A329 WeakPolarHBondContact CA-O 3.43Å; G324-A329 PolarHBondContact O-N 3.46Å |
| 325 | K | 93.3 | Very high | 90.9 | Very high | 107 Ų | 107 | 36.7 Ų | 36.7 | 47% | 0.465 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -65.6 | -39.5 | 172 | -70 | 175.7 | -178.7 | 175.6 | 0 | 112 | I254 V321 N322 R323 Q328 | I254-K325 HydrophobicContact CB-CG 4.04Å; I254-K325 HydrophobicContact CD1-CG 4.47Å; I254-K325 HydrophobicContact CG2-CG 3.74Å; V321-K325 WeakPolarHBondContact O-CG 3.47Å; V321-K325 PolarHBondContact O-N 2.78Å; N322-K325 WeakPolarHBondContact O-CB 3.33Å; N322-K325 PolarHBondContact O-N 3.33Å; R323-K325 VanDerWaalsContact C-N 3.29Å; R323-K325 PolarHBondContact O-N 2.65Å; K325-Q328 PolarHBondContact O-NE2 2.97Å |
| 326 | E | 90.6 | Very high | 91.6 | Very high | 99 Ų | 99 | 38 Ų | 38 | 46% | 0.463 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -67.3 | -47.9 | 179.2 | -66.5 | 168.7 | 176.3 | 0 | 0 | 112.3 | Y156 N322 R323 Q328 | Y156-E326 VanDerWaalsContact OH-CD 3.25Å; Y156-E326 PolarHBondContact OH-OE1 3.14Å; Y156-E326 PolarHBondContact OH-OE2 2.8Å; N322-E326 WeakPolarHBondContact O-CG 3.19Å; N322-E326 PolarHBondContact O-N 2.77Å; N322-E326 VanDerWaalsContact O-N 3.13Å; R323-E326 WeakPolarHBondContact CD-OE2 3.3Å; R323-E326 IonicContact CZ-OE2 3.39Å; R323-E326 IonicContact NH1-OE2 3.3Å; R323-E326 PolarHBondContact NH1-OE2 3.26Å; R323-E326 WeakPolarHBondContact O-CB 3.23Å; R323-E326 PolarHBondContact O-N 3.06Å; R323-E326 VanDerWaalsContact O-N 3.07Å; E326-Q328 VanDerWaalsContact C-N 3.3Å |
| 327 | I | 91.1 | Very high | 91.9 | Very high | 27 Ų | 27 | 39.8 Ų | 39.8 | 14% | 0.138 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -87 | -2.2 | -178.8 | 67.6 | 166 | 0 | 0 | 0 | 113.4 | R300 Q306 L307 R323 A329 | R300-I327 PolarHBondContact NH2-O 3.27Å; Q306-I327 HydrophobicContact CG-CD1 4.46Å; L307-I327 HydrophobicContact CB-CD1 3.65Å; L307-I327 HydrophobicContact CD1-CD1 4.09Å; L307-I327 HydrophobicContact CG-CD1 4.31Å; R323-I327 WeakPolarHBondContact O-CG1 3.38Å; R323-I327 PolarHBondContact O-N 2.82Å; I327-A329 VanDerWaalsContact C-N 3.34Å; I327-A329 HydrophobicContact CD1-CB 3.74Å; I327-A329 HydrophobicContact CG1-CB 3.75Å; I327-A329 PolarHBondContact O-N 2.87Å |
| 328 | Q | 92.2 | Very high | 92.2 | Very high | 94 Ų | 94 | 38.3 Ų | 38.3 | 44% | 0.439 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.9 | 44.7 | -178.9 | -63.1 | -76.3 | -53.9 | 0 | 0 | 112 | F298 R300 G324 K325 E326 | F298-Q328 HydrophobicContact CD1-CB 4.45Å; R300-Q328 PolarHBondContact NH2-O 2.88Å; G324-Q328 CarbonylContact O-C 3.58Å; G324-Q328 VanDerWaalsContact O-CA 3.23Å; G324-Q328 WeakPolarHBondContact O-CA 3.44Å; G324-Q328 PolarHBondContact O-N 2.81Å; K325-Q328 PolarHBondContact O-NE2 2.97Å; E326-Q328 VanDerWaalsContact C-N 3.3Å |
| 329 | A | 94 | Very high | 92.6 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 15% | 0.149 | C | C | . | . | trans | -123.9 | 148 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | I254 F298 G303 L307 G324 I327 P331 | I254-A329 VanDerWaalsContact CD1-O 3.27Å; I254-A329 WeakPolarHBondContact CD1-O 3.4Å; F298-A329 CarbonylContact O-C 3.53Å; G303-A329 WeakPolarHBondContact O-CB 3.38Å; L307-A329 HydrophobicContact CB-CB 4.25Å; L307-A329 HydrophobicContact CD2-CB 4.14Å; G324-A329 WeakPolarHBondContact CA-O 3.43Å; G324-A329 PolarHBondContact O-N 3.46Å; I327-A329 VanDerWaalsContact C-N 3.34Å; I327-A329 HydrophobicContact CD1-CB 3.74Å; I327-A329 HydrophobicContact CG1-CB 3.75Å; I327-A329 PolarHBondContact O-N 2.87Å; A329-P331 WeakPolarHBondContact O-CD 3.44Å | ||
| 330 | C | 95.3 | Very high | 92.7 | Very high | 11 Ų | 11 | 30.1 Ų | 30.1 | 7% | 0.074 | 15% | 0.145 | C | C | . | . | trans | -74.7 | 112.8 | -173.2 | -173.6 | 0 | 0 | 0 | 0 | 112.5 | F298 V304 Y332 Y333 A334 | F298-C330 HydrophobicContact CB-CB 4.08Å; F298-C330 WeakPolarHBondContact O-CB 3.33Å; F298-C330 PolarHBondContact O-N 3.25Å; V304-C330 HydrophobicContact CG2-CB 4.25Å; C330-Y332 VanDerWaalsContact C-N 3.31Å; C330-Y332 PolarHBondContact O-N 3.37Å; C330-Y333 PolarHBondContact O-N 3.12Å; C330-A334 VanDerWaalsContact O-CB 3.25Å; C330-A334 WeakPolarHBondContact O-CB 3.42Å; C330-A334 PolarHBondContact O-N 3.5Å | ||
| 331 | P | 95.3 | Very high | 92.7 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -62.5 | -35.7 | 178.2 | -25.6 | 38.1 | 0 | 0 | 0 | 113.6 | L252 I254 L307 I320 V321 A329 A334 T335 | L252-P331 HydrophobicContact CB-CB 4.25Å; L252-P331 HydrophobicContact CD2-CB 3.96Å; L252-P331 WeakPolarHBondContact O-CB 3.47Å; L252-P331 WeakPolarHBondContact O-CD 3.49Å; L252-P331 WeakPolarHBondContact O-CG 3.34Å; I254-P331 HydrophobicContact CD1-CG 4.5Å; I254-P331 HydrophobicContact CG2-CG 3.89Å; L307-P331 HydrophobicContact CD2-CB 4.28Å; L307-P331 HydrophobicContact CD2-CG 4.13Å; I320-P331 HydrophobicContact CG2-CB 4.06Å; V321-P331 HydrophobicContact CG2-CB 4.46Å; V321-P331 HydrophobicContact CG2-CG 4.46Å; A329-P331 WeakPolarHBondContact O-CD 3.44Å; P331-A334 PolarHBondContact O-N 3.29Å; P331-T335 WeakPolarHBondContact O-CB 3.38Å; P331-T335 WeakPolarHBondContact O-CG2 3.39Å; P331-T335 PolarHBondContact O-N 3.45Å; P331-T335 PolarHBondContact O-OG1 2.98Å |
| 332 | Y | 94.3 | Very high | 92.8 | Very high | 10 Ų | 10 | 31.3 Ų | 31.3 | 4% | 0.039 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -62.7 | -47.5 | -179.1 | 174.8 | -94.9 | 0 | 0 | 0 | 112.5 | R249 L252 C330 T335 R336 F361 | R249-Y332 HydrophobicContact CG-CD1 4.16Å; R249-Y332 HydrophobicContact CG-CD2 3.62Å; R249-Y332 HydrophobicContact CG-CE1 4.3Å; R249-Y332 HydrophobicContact CG-CE2 3.77Å; R249-Y332 HydrophobicContact CG-CG 3.83Å; R249-Y332 PolarHBondContact NH1-OH 2.87Å; R249-Y332 PolarHBondContact NH2-OH 3.42Å; L252-Y332 HydrophobicContact CD1-CD2 4.34Å; C330-Y332 VanDerWaalsContact C-N 3.31Å; C330-Y332 PolarHBondContact O-N 3.37Å; Y332-T335 PolarHBondContact O-OG1 2.79Å; Y332-R336 PolarHBondContact O-N 2.87Å; Y332-F361 HydrophobicContact CE2-CE1 4.16Å; Y332-F361 HydrophobicContact CE2-CZ 4.08Å |
| 333 | Y | 92.9 | Very high | 92.9 | Very high | 11 Ų | 11 | 27.3 Ų | 27.3 | 4% | 0.043 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -75.7 | -32.8 | 177.1 | -78.4 | -76.1 | 0 | 0 | 0 | 112.1 | R249 Q275 L299 C330 R336 D337 | R249-Y333 PolarHBondContact NH2-OH 2.7Å; Q275-Y333 PolarHBondContact NE2-OH 3.26Å; Q275-Y333 PolarHBondContact OE1-OH 3.29Å; L299-Y333 HydrophobicContact CD1-CD1 4.42Å; L299-Y333 HydrophobicContact CD1-CD2 3.49Å; L299-Y333 VanDerWaalsContact CD1-CD2 3.49Å; L299-Y333 HydrophobicContact CD1-CE2 4.13Å; L299-Y333 HydrophobicContact CD1-CG 3.7Å; C330-Y333 PolarHBondContact O-N 3.12Å; Y333-R336 WeakPolarHBondContact O-CB 3.39Å; Y333-R336 PolarHBondContact O-N 2.96Å; Y333-D337 PolarHBondContact O-N 3.28Å |
| 334 | A | 93.4 | Very high | 93.1 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -62.6 | -47.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | V304 L307 A308 C330 P331 R336 D337 A338 | V304-A334 HydrophobicContact CG1-CB 4.28Å; L307-A334 HydrophobicContact CB-CB 3.64Å; L307-A334 HydrophobicContact CD2-CB 3.73Å; L307-A334 HydrophobicContact CG-CB 3.62Å; A308-A334 WeakPolarHBondContact CA-O 3.13Å; A308-A334 HydrophobicContact CB-CB 4.32Å; A308-A334 WeakPolarHBondContact CB-O 3.42Å; C330-A334 VanDerWaalsContact O-CB 3.25Å; C330-A334 WeakPolarHBondContact O-CB 3.42Å; C330-A334 PolarHBondContact O-N 3.5Å; P331-A334 PolarHBondContact O-N 3.29Å; A334-R336 VanDerWaalsContact C-N 3.25Å; A334-R336 PolarHBondContact O-N 3.36Å; A334-D337 PolarHBondContact O-N 3.32Å; A334-A338 WeakPolarHBondContact O-CB 3.43Å; A334-A338 PolarHBondContact O-N 2.86Å |
| 335 | T | 92.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -62.2 | -34 | 176.5 | 48.3 | 0 | 0 | 0 | 0 | 112.2 | V244 L252 I320 P331 Y332 V339 | V244-T335 HydrophobicContact CG2-CG2 4.29Å; L252-T335 HydrophobicContact CD1-CG2 4.42Å; L252-T335 HydrophobicContact CD2-CG2 4.39Å; I320-T335 HydrophobicContact CD1-CG2 4.22Å; I320-T335 HydrophobicContact CG2-CG2 4.23Å; P331-T335 WeakPolarHBondContact O-CB 3.38Å; P331-T335 WeakPolarHBondContact O-CG2 3.39Å; P331-T335 PolarHBondContact O-N 3.45Å; P331-T335 PolarHBondContact O-OG1 2.98Å; Y332-T335 PolarHBondContact O-OG1 2.79Å; T335-V339 WeakPolarHBondContact O-CG2 3.32Å; T335-V339 PolarHBondContact O-N 3.28Å |
| 336 | R | 92.3 | Very high | 93.3 | Very high | 33 Ų | 33 | 21 Ų | 21 | 13% | 0.125 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -66.5 | -46.4 | 174.5 | -170.9 | -179.2 | 72.3 | 160.3 | 7.5 | 112.3 | Y332 Y333 A334 A338 V339 I360 F361 | Y332-R336 PolarHBondContact O-N 2.87Å; Y333-R336 WeakPolarHBondContact O-CB 3.39Å; Y333-R336 PolarHBondContact O-N 2.96Å; A334-R336 VanDerWaalsContact C-N 3.25Å; A334-R336 PolarHBondContact O-N 3.36Å; R336-A338 VanDerWaalsContact C-N 3.26Å; R336-A338 PolarHBondContact O-N 2.76Å; R336-V339 VanDerWaalsContact O-CB 3.31Å; R336-V339 WeakPolarHBondContact O-CB 3.18Å; R336-V339 WeakPolarHBondContact O-CG2 3.4Å; R336-V339 PolarHBondContact O-N 3.02Å; R336-I360 WeakPolarHBondContact CD-O 3.27Å; R336-F361 HydrophobicContact CB-CD1 4.39Å; R336-F361 HydrophobicContact CG-CD1 4.06Å |
| 337 | D | 90.7 | Very high | 93.5 | Very high | 66 Ų | 66 | 16.3 Ų | 16.3 | 35% | 0.353 | 8% | 0.081 | S | C | . | . | H | α-helix | trans | -67.3 | -31.7 | 178.7 | -68.2 | 0.4 | 0 | 0 | 0 | 111.2 | A308 Y333 A334 V339 | A308-D337 HydrophobicContact CB-CB 4.09Å; Y333-D337 PolarHBondContact O-N 3.28Å; A334-D337 PolarHBondContact O-N 3.32Å; D337-V339 VanDerWaalsContact C-N 3.26Å; D337-V339 PolarHBondContact O-N 3.17Å |
| 338 | A | 92.8 | Very high | 93.6 | Very high | 1 Ų | 1 | 15.4 Ų | 15.4 | 1% | 0.008 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -65.4 | -24 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | V244 A308 S311 L312 A334 R336 N340 L341 A342 | V244-A338 HydrophobicContact CG2-CB 4.08Å; A308-A338 HydrophobicContact CB-CB 4.17Å; A308-A338 WeakPolarHBondContact O-CB 3.48Å; S311-A338 WeakPolarHBondContact OG-CB 3.18Å; L312-A338 HydrophobicContact CD2-CB 4.05Å; L312-A338 HydrophobicContact CG-CB 4.11Å; A334-A338 WeakPolarHBondContact O-CB 3.43Å; A334-A338 PolarHBondContact O-N 2.86Å; R336-A338 VanDerWaalsContact C-N 3.26Å; R336-A338 PolarHBondContact O-N 2.76Å; A338-N340 PolarHBondContact O-N 3.09Å; A338-N340 VanDerWaalsContact O-N 3.11Å; A338-L341 PolarHBondContact O-N 2.89Å; A338-A342 PolarHBondContact O-N 3.32Å; A338-A342 VanDerWaalsContact O-N 3.16Å |
| 339 | V | 93.5 | Very high | 93.6 | Very high | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 6% | 0.056 | C | C | . | . | G | 310 helix | trans | -52 | -37.9 | -179.2 | 169.2 | 0 | 0 | 0 | 0 | 112.5 | Q214 V244 I246 T335 R336 D337 L341 A342 L363 | Q214-V339 PolarHBondContact NE2-O 3.05Å; V244-V339 HydrophobicContact CG1-CG2 4.44Å; I246-V339 HydrophobicContact CD1-CG2 3.92Å; I246-V339 HydrophobicContact CG1-CG2 4.29Å; T335-V339 WeakPolarHBondContact O-CG2 3.32Å; T335-V339 PolarHBondContact O-N 3.28Å; R336-V339 VanDerWaalsContact O-CB 3.31Å; R336-V339 WeakPolarHBondContact O-CB 3.18Å; R336-V339 WeakPolarHBondContact O-CG2 3.4Å; R336-V339 PolarHBondContact O-N 3.02Å; D337-V339 VanDerWaalsContact C-N 3.26Å; D337-V339 PolarHBondContact O-N 3.17Å; V339-L341 PolarHBondContact O-N 3.33Å; V339-A342 PolarHBondContact O-N 2.98Å; V339-L363 HydrophobicContact CG1-CD2 3.56Å; V339-L363 HydrophobicContact CG2-CD2 4.48Å |
| 340 | N | 91.2 | Very high | 93.4 | Very high | 43 Ų | 43 | 14.9 Ų | 14.9 | 23% | 0.23 | 7% | 0.074 | C | C | . | . | G | 310 helix | trans | -67.6 | -24.6 | -177.5 | -70.1 | -32 | 0 | 0 | 0 | 113.4 | R210 V211 A338 | R210-N340 WeakPolarHBondContact CA-O 3.42Å; R210-N340 PolarHBondContact NH1-OD1 3.23Å; R210-N340 VanDerWaalsContact NH1-OD1 3.15Å; V211-N340 PolarHBondContact N-O 2.9Å; A338-N340 PolarHBondContact O-N 3.09Å; A338-N340 VanDerWaalsContact O-N 3.11Å |
| 341 | L | 91.1 | Very high | 93.3 | Very high | 41 Ų | 41 | 15 Ų | 15 | 22% | 0.215 | 7% | 0.074 | C | C | . | . | G | 310 helix | trans | -104.9 | -3.8 | -177.7 | -61.9 | 179.3 | 0 | 0 | 0 | 113 | Y209 L312 A338 V339 | Y209-L341 HydrophobicContact CD1-CD2 3.93Å; Y209-L341 HydrophobicContact CE1-CD2 4.38Å; L312-L341 HydrophobicContact CD1-CB 3.6Å; L312-L341 HydrophobicContact CD1-CD1 4.29Å; A338-L341 PolarHBondContact O-N 2.89Å; V339-L341 PolarHBondContact O-N 3.33Å |
| 342 | A | 94 | Very high | 93.3 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 7% | 0.074 | C | C | . | . | trans | -79.3 | 144.7 | -178 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q214 V244 L312 A338 V339 I345 | Q214-A342 PolarHBondContact NE2-O 2.92Å; V244-A342 HydrophobicContact CB-CB 4.06Å; V244-A342 HydrophobicContact CG1-CB 3.43Å; V244-A342 VanDerWaalsContact CG1-CB 3.43Å; L312-A342 HydrophobicContact CD2-CB 3.66Å; A338-A342 PolarHBondContact O-N 3.32Å; A338-A342 VanDerWaalsContact O-N 3.16Å; V339-A342 PolarHBondContact O-N 2.98Å; A342-I345 HydrophobicContact CB-CD1 4.14Å; A342-I345 HydrophobicContact CB-CG1 3.97Å | ||
| 343 | D | 94.8 | Very high | 93.2 | Very high | 3 Ų | 3 | 14.8 Ų | 14.8 | 2% | 0.016 | 7% | 0.074 | C | C | . | . | S | Bend | trans | -87 | -41.8 | 172.8 | -60.2 | -27.3 | 0 | 0 | 0 | 110.9 | L85 R89 I215 T241 H242 | L85-D343 HydrophobicContact CD2-CB 3.94Å; R89-D343 IonicContact CZ-OD1 2.75Å; R89-D343 IonicContact NH1-OD1 2.99Å; R89-D343 PolarHBondContact NH1-OD1 3.08Å; R89-D343 IonicContact NH1-OD2 2.85Å; R89-D343 PolarHBondContact NH1-OD2 2.86Å; R89-D343 IonicContact NH2-OD1 3.66Å; R89-D343 PolarHBondContact NH2-OD1 2.79Å; I215-D343 PolarHBondContact N-O 3.28Å; T241-D343 HydrophobicContact CG2-CB 4.06Å; H242-D343 HydrophobicContact CB-CB 4.46Å; H242-D343 IonicContact CD2-OD2 3.05Å; H242-D343 PolarHBondContact CD2-OD2 3.33Å; H242-D343 IonicContact CG-OD2 3.8Å; H242-D343 PolarHBondContact N-OD2 2.92Å; H242-D343 WeakPolarHBondContact O-CA 3.34Å; H242-D343 WeakPolarHBondContact O-CB 3.29Å; H242-D343 PolarHBondContact O-N 3.46Å |
| 344 | L | 95.7 | Very high | 93 | Very high | 2 Ų | 2 | 17.6 Ų | 17.6 | 1% | 0.01 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 119 | -178 | 177.8 | 63.8 | 0 | 0 | 0 | 109.4 | L78 I215 F228 I232 T241 H242 V243 V244 L346 | L78-L344 HydrophobicContact CD2-CD2 4.09Å; I215-L344 HydrophobicContact CB-CD1 3.89Å; I215-L344 HydrophobicContact CG2-CD1 3.66Å; I215-L344 CarbonylContact O-C 3.57Å; I215-L344 WeakPolarHBondContact O-CA 3.48Å; F228-L344 HydrophobicContact CE1-CD2 4.04Å; I232-L344 HydrophobicContact CD1-CD2 3.51Å; I232-L344 HydrophobicContact CG1-CD2 4.41Å; T241-L344 HydrophobicContact CG2-CB 4.31Å; H242-L344 PolarHBondContact O-N 3.44Å; H242-L344 VanDerWaalsContact O-N 3.09Å; V243-L344 WeakPolarHBondContact CA-O 3.35Å; V243-L344 HydrophobicContact CG1-CB 4.46Å; V243-L344 HydrophobicContact CG1-CD2 4.24Å; V243-L344 HydrophobicContact CG1-CG 4.36Å; V243-L344 HydrophobicContact CG2-CB 4.34Å; V243-L344 HydrophobicContact CG2-CD2 4.28Å; V244-L344 PolarHBondContact N-O 2.86Å; L344-L346 HydrophobicContact CD1-CD2 4.02Å; L344-L346 HydrophobicContact CD2-CD2 3.96Å; L344-L346 HydrophobicContact CG-CD2 3.71Å |
| 345 | I | 95.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 111.5 | -179.7 | -58 | 85.7 | 0 | 0 | 0 | 108.2 | Q214 I215 F216 Y217 V244 I246 A342 M347 L363 | Q214-I345 HydrophobicContact CB-CD1 3.76Å; Q214-I345 HydrophobicContact CG-CD1 4.33Å; I215-I345 PolarHBondContact O-N 2.91Å; F216-I345 HydrophobicContact CD1-CB 3.77Å; F216-I345 HydrophobicContact CD1-CD1 3.95Å; F216-I345 HydrophobicContact CD1-CG1 4.12Å; F216-I345 HydrophobicContact CD1-CG2 4.18Å; F216-I345 HydrophobicContact CE1-CB 4.17Å; F216-I345 HydrophobicContact CE1-CD1 3.75Å; F216-I345 HydrophobicContact CE1-CG1 4.02Å; Y217-I345 PolarHBondContact N-O 3.4Å; V244-I345 HydrophobicContact CG1-CB 4.2Å; V244-I345 HydrophobicContact CG1-CG1 3.85Å; V244-I345 HydrophobicContact CG1-CG2 4.09Å; V244-I345 CarbonylContact O-C 3.55Å; V244-I345 WeakPolarHBondContact O-CA 3.19Å; I246-I345 HydrophobicContact CD1-CG2 3.5Å; I246-I345 VanDerWaalsContact CD1-CG2 3.5Å; I246-I345 HydrophobicContact CG1-CG2 3.96Å; A342-I345 HydrophobicContact CB-CD1 4.14Å; A342-I345 HydrophobicContact CB-CG1 3.97Å; I345-M347 HydrophobicContact CB-CE 4.38Å; I345-M347 HydrophobicContact CG2-CE 3.82Å; I345-L363 HydrophobicContact CG2-CD2 4.39Å |
| 346 | L | 95.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 126.2 | 176.9 | -51 | -171.5 | 0 | 0 | 0 | 109.4 | Y217 L225 F228 A229 V243 V244 T245 I246 L344 | Y217-L346 HydrophobicContact CD1-CD2 3.98Å; Y217-L346 HydrophobicContact CG-CD2 4.07Å; Y217-L346 CarbonylContact O-C 3.6Å; Y217-L346 WeakPolarHBondContact O-CA 3.42Å; L225-L346 HydrophobicContact CD2-CB 4.24Å; F228-L346 HydrophobicContact CD1-CD1 4.34Å; F228-L346 HydrophobicContact CD1-CD2 3.63Å; F228-L346 HydrophobicContact CE1-CD2 3.86Å; A229-L346 HydrophobicContact CB-CD1 3.69Å; V243-L346 HydrophobicContact CG1-CD1 4.03Å; V243-L346 HydrophobicContact CG1-CG 4.03Å; V244-L346 PolarHBondContact O-N 3.39Å; T245-L346 HydrophobicContact CG2-CB 4.03Å; I246-L346 PolarHBondContact N-O 3.41Å; L344-L346 HydrophobicContact CD1-CD2 4.02Å; L344-L346 HydrophobicContact CD2-CD2 3.96Å; L344-L346 HydrophobicContact CG-CD2 3.71Å |
| 347 | M | 94.7 | Very high | 92.4 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 151.3 | -176.4 | 72.6 | -177.7 | 80.2 | 0 | 0 | 113.7 | F216 Y217 S218 S219 I246 I345 V351 L352 L363 | F216-M347 HydrophobicContact CB-CE 3.65Å; F216-M347 HydrophobicContact CD1-CE 3.29Å; F216-M347 HydrophobicContact CE1-CE 4.25Å; F216-M347 HydrophobicContact CG-CE 3.8Å; Y217-M347 PolarHBondContact O-N 3.3Å; S218-M347 WeakPolarHBondContact CA-O 3.38Å; S218-M347 PolarHBondContact OG-O 2.8Å; S218-M347 VanDerWaalsContact OG-O 3.08Å; S219-M347 PolarHBondContact N-O 3.28Å; I246-M347 HydrophobicContact CB-CB 4.34Å; I345-M347 HydrophobicContact CB-CE 4.38Å; I345-M347 HydrophobicContact CG2-CE 3.82Å; M347-V351 HydrophobicContact CB-CB 4.17Å; M347-V351 HydrophobicContact CB-CG1 4.22Å; M347-V351 HydrophobicContact CG-CB 4.44Å; M347-V351 HydrophobicContact SD-CB 4.25Å; M347-V351 HydrophobicContact SD-CG1 3.91Å; M347-L352 HydrophobicContact SD-CB 3.87Å; M347-L352 HydrophobicContact SD-CD1 4.3Å; M347-L363 HydrophobicContact CE-CD1 3.88Å; M347-L363 HydrophobicContact SD-CD1 3.97Å |
| 348 | P | 93.2 | Very high | 92.5 | Very high | 9 Ų | 9 | 23.6 Ų | 23.6 | 6% | 0.058 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 157.9 | 169.6 | -21.4 | 33.9 | 0 | 0 | 0 | 112.9 | S218 H222 L225 I246 Q350 V351 L352 | S218-P348 PolarHBondContact OG-O 3.42Å; H222-P348 WeakPolarHBondContact CE1-CG 3.29Å; L225-P348 HydrophobicContact CD1-CG 4.25Å; I246-P348 WeakPolarHBondContact O-CD 3.46Å; P348-Q350 PolarHBondContact O-N 2.86Å; P348-Q350 VanDerWaalsContact O-N 3.16Å; P348-V351 PolarHBondContact O-N 3.29Å; P348-V351 VanDerWaalsContact O-N 3.09Å; P348-L352 PolarHBondContact O-N 3.41Å |
| 349 | Y | 92.5 | Very high | 92.3 | Very high | 1 Ų | 1 | 29.9 Ų | 29.9 | 0% | 0.004 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -51.9 | -37.6 | 175.3 | -79.4 | 12 | 0 | 0 | 0 | 113.1 | S218 S219 R220 V351 L352 M353 V372 D373 E374 A375 L378 T381 | S218-Y349 WeakPolarHBondContact OG-CA 3.45Å; S218-Y349 WeakPolarHBondContact OG-CD1 3.29Å; S218-Y349 PolarHBondContact OG-N 2.63Å; S219-Y349 VanDerWaalsContact CA-CE1 3.47Å; S219-Y349 VanDerWaalsContact O-CD1 3.28Å; S219-Y349 WeakPolarHBondContact O-CD1 3.47Å; S219-Y349 PolarHBondContact O-N 3.34Å; R220-Y349 HydrophobicContact CB-CE2 4.48Å; Y349-V351 VanDerWaalsContact C-N 3.27Å; Y349-V351 PolarHBondContact O-N 3.36Å; Y349-L352 PolarHBondContact O-N 2.94Å; Y349-M353 WeakPolarHBondContact O-CB 3.2Å; Y349-M353 VanDerWaalsContact O-CG 3.28Å; Y349-M353 WeakPolarHBondContact O-CG 3.45Å; Y349-M353 PolarHBondContact O-N 2.63Å; Y349-V372 HydrophobicContact CD1-CG1 4.42Å; Y349-V372 HydrophobicContact CE1-CG1 3.59Å; Y349-D373 WeakPolarHBondContact CE1-O 3.31Å; Y349-D373 VanDerWaalsContact CZ-O 3.31Å; Y349-D373 PolarHBondContact OH-O 2.91Å; Y349-E374 PolarHBondContact OH-O 3.2Å; Y349-A375 PolarHBondContact OH-N 3.01Å; Y349-L378 HydrophobicContact CE2-CD1 4.48Å; Y349-T381 HydrophobicContact CD2-CG2 3.74Å; Y349-T381 HydrophobicContact CG-CG2 4.43Å |
| 350 | Q | 90.3 | Very high | 92 | Very high | 82 Ų | 82 | 34.3 Ų | 34.3 | 38% | 0.383 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -62.2 | -36 | -177.5 | -61.1 | 78.4 | 6.3 | 0 | 0 | 111.9 | P348 Q354 I385 | P348-Q350 PolarHBondContact O-N 2.86Å; P348-Q350 VanDerWaalsContact O-N 3.16Å; Q350-Q354 WeakPolarHBondContact O-CB 3.34Å; Q350-Q354 WeakPolarHBondContact O-CG 3.47Å; Q350-Q354 PolarHBondContact O-N 2.89Å; Q350-I385 HydrophobicContact CB-CD1 4.48Å; Q350-I385 HydrophobicContact CG-CD1 4.09Å; Q350-I385 HydrophobicContact CG-CG1 4.32Å |
| 351 | V | 92.7 | Very high | 91.9 | Very high | 13 Ų | 13 | 33 Ų | 33 | 8% | 0.079 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -69.3 | -41.4 | 177.8 | 176.7 | 0 | 0 | 0 | 0 | 110.5 | I246 M347 P348 Y349 T357 R358 F361 L363 | I246-V351 HydrophobicContact CG2-CG2 4.33Å; M347-V351 HydrophobicContact CB-CB 4.17Å; M347-V351 HydrophobicContact CB-CG1 4.22Å; M347-V351 HydrophobicContact CG-CB 4.44Å; M347-V351 HydrophobicContact SD-CB 4.25Å; M347-V351 HydrophobicContact SD-CG1 3.91Å; P348-V351 PolarHBondContact O-N 3.29Å; P348-V351 VanDerWaalsContact O-N 3.09Å; Y349-V351 VanDerWaalsContact C-N 3.27Å; Y349-V351 PolarHBondContact O-N 3.36Å; V351-T357 HydrophobicContact CB-CG2 4.2Å; V351-T357 HydrophobicContact CG1-CG2 4.16Å; V351-T357 HydrophobicContact CG2-CG2 4.02Å; V351-R358 WeakPolarHBondContact O-CG 3.18Å; V351-F361 HydrophobicContact CG1-CD2 3.96Å; V351-F361 HydrophobicContact CG1-CE2 4.37Å; V351-F361 HydrophobicContact CG2-CE2 4.25Å; V351-L363 HydrophobicContact CG1-CD1 3.68Å |
| 352 | L | 94.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -71.8 | -42.5 | -179.2 | -177 | 61.9 | 0 | 0 | 0 | 112.3 | M347 P348 Y349 R358 L365 V370 V372 V549 | M347-L352 HydrophobicContact SD-CB 3.87Å; M347-L352 HydrophobicContact SD-CD1 4.3Å; P348-L352 PolarHBondContact O-N 3.41Å; Y349-L352 PolarHBondContact O-N 2.94Å; L352-R358 WeakPolarHBondContact O-CD 3.24Å; L352-R358 PolarHBondContact O-NH1 2.85Å; L352-L365 HydrophobicContact CD1-CD2 4.27Å; L352-V370 HydrophobicContact CD1-CG1 4.02Å; L352-V370 HydrophobicContact CD2-CG1 3.62Å; L352-V370 HydrophobicContact CG-CG1 4.46Å; L352-V372 HydrophobicContact CD2-CG2 3.7Å; L352-V549 HydrophobicContact CD1-CG1 4.43Å |
| 353 | M | 92.5 | Very high | 91.7 | Very high | 5 Ų | 5 | 33.5 Ų | 33.5 | 3% | 0.025 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -80.8 | -26 | -172.7 | -61 | -61.3 | 140.4 | 0 | 0 | 113.2 | Y349 L378 V382 I385 I546 | Y349-M353 WeakPolarHBondContact O-CB 3.2Å; Y349-M353 VanDerWaalsContact O-CG 3.28Å; Y349-M353 WeakPolarHBondContact O-CG 3.45Å; Y349-M353 PolarHBondContact O-N 2.63Å; M353-L378 HydrophobicContact CE-CD1 3.47Å; M353-L378 VanDerWaalsContact CE-CD1 3.47Å; M353-L378 HydrophobicContact SD-CD1 3.98Å; M353-V382 HydrophobicContact CB-CG2 4.4Å; M353-V382 HydrophobicContact CG-CG2 3.79Å; M353-V382 HydrophobicContact SD-CG2 3.69Å; M353-I385 HydrophobicContact CB-CD1 4.09Å; M353-I385 HydrophobicContact CG-CD1 4.45Å; M353-I546 HydrophobicContact SD-CD1 4.43Å; M353-I546 HydrophobicContact SD-CG1 4.06Å |
| 354 | Q | 89.6 | Confident | 91.6 | Very high | 71 Ų | 71 | 35.4 Ų | 35.4 | 33% | 0.332 | 19% | 0.185 | S | C | . | . | trans | -91.4 | 111.3 | 177.7 | -66.2 | 179.7 | -26.6 | 0 | 0 | 111.3 | Q350 D356 T357 R358 I385 | Q350-Q354 WeakPolarHBondContact O-CB 3.34Å; Q350-Q354 WeakPolarHBondContact O-CG 3.47Å; Q350-Q354 PolarHBondContact O-N 2.89Å; Q354-D356 VanDerWaalsContact C-N 3.3Å; Q354-D356 PolarHBondContact O-N 2.84Å; Q354-T357 PolarHBondContact O-N 3.02Å; Q354-T357 VanDerWaalsContact O-N 3.12Å; Q354-T357 PolarHBondContact OE1-OG1 3.25Å; Q354-R358 PolarHBondContact O-N 2.96Å; Q354-I385 HydrophobicContact CG-CG2 3.7Å | ||
| 355 | K | 89.2 | Confident | 91.5 | Very high | 92 Ų | 92 | 35.3 Ų | 35.3 | 40% | 0.4 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -55.3 | -41.2 | 179.4 | -173.1 | 167.5 | -167.6 | 147.5 | 0 | 113.5 | R358 K359 D548 E552 | K355-R358 WeakPolarHBondContact O-CB 3.46Å; K355-R358 PolarHBondContact O-N 3.34Å; K355-K359 WeakPolarHBondContact O-CG 3.42Å; K355-K359 PolarHBondContact O-N 3.21Å; K355-D548 IonicContact NZ-OD2 2.84Å; K355-E552 IonicContact NZ-OE1 2.98Å |
| 356 | D | 86.4 | Confident | 91.4 | Very high | 97 Ų | 97 | 38.8 Ų | 38.8 | 52% | 0.519 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -68.2 | -37.4 | -179.9 | -61.1 | -36.6 | 0 | 0 | 0 | 111.8 | Q354 K359 I360 | Q354-D356 VanDerWaalsContact C-N 3.3Å; Q354-D356 PolarHBondContact O-N 2.84Å; D356-K359 PolarHBondContact O-N 3.25Å; D356-K359 IonicContact OD1-NZ 2.73Å; D356-I360 VanDerWaalsContact O-CG1 3.27Å; D356-I360 WeakPolarHBondContact O-CG1 3.41Å; D356-I360 PolarHBondContact O-N 3.14Å |
| 357 | T | 89.7 | Confident | 91.1 | Very high | 28 Ų | 28 | 44.2 Ų | 44.2 | 17% | 0.172 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -64.6 | -40.6 | 174 | -54.4 | 0 | 0 | 0 | 0 | 111 | V351 Q354 K359 I360 F361 | V351-T357 HydrophobicContact CB-CG2 4.2Å; V351-T357 HydrophobicContact CG1-CG2 4.16Å; V351-T357 HydrophobicContact CG2-CG2 4.02Å; Q354-T357 PolarHBondContact O-N 3.02Å; Q354-T357 VanDerWaalsContact O-N 3.12Å; Q354-T357 PolarHBondContact OE1-OG1 3.25Å; T357-K359 PolarHBondContact O-N 3.46Å; T357-I360 PolarHBondContact O-N 2.88Å; T357-F361 HydrophobicContact CG2-CD2 3.85Å; T357-F361 HydrophobicContact CG2-CE2 3.78Å; T357-F361 VanDerWaalsContact O-CD2 3.29Å; T357-F361 WeakPolarHBondContact O-CD2 3.49Å; T357-F361 PolarHBondContact O-N 3.14Å; T357-F361 VanDerWaalsContact O-N 3.12Å |
| 358 | R | 92.4 | Very high | 91.2 | Very high | 7 Ų | 7 | 44.3 Ų | 44.3 | 3% | 0.026 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -58.4 | -45.1 | 173 | -65.4 | -161.1 | -55.2 | -89 | 3 | 112.3 | V351 L352 Q354 K355 F361 G362 L363 D548 | V351-R358 WeakPolarHBondContact O-CG 3.18Å; L352-R358 WeakPolarHBondContact O-CD 3.24Å; L352-R358 PolarHBondContact O-NH1 2.85Å; Q354-R358 PolarHBondContact O-N 2.96Å; K355-R358 WeakPolarHBondContact O-CB 3.46Å; K355-R358 PolarHBondContact O-N 3.34Å; R358-F361 CarbonylContact O-C 3.48Å; R358-F361 PolarHBondContact O-N 2.72Å; R358-G362 PolarHBondContact O-N 3.01Å; R358-L363 HydrophobicContact CB-CB 4.16Å; R358-L363 HydrophobicContact CB-CD1 4.47Å; R358-L363 HydrophobicContact CG-CD1 4.32Å; R358-L363 PolarHBondContact O-N 3.04Å; R358-D548 IonicContact CZ-OD2 3.52Å; R358-D548 IonicContact NH1-OD1 2.71Å; R358-D548 IonicContact NH1-OD2 3.42Å; R358-D548 VanDerWaalsContact NH2-CG 3.27Å; R358-D548 IonicContact NH2-OD1 3.03Å; R358-D548 IonicContact NH2-OD2 3.97Å; R358-D548 PolarHBondContact NH2-OD2 3.34Å |
| 359 | K | 89.5 | Confident | 91.4 | Very high | 134 Ų | 134 | 43.9 Ų | 43.9 | 58% | 0.583 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -61.5 | -43.8 | 176.2 | -69.2 | 173.6 | -177.6 | 170.1 | 0 | 112 | K355 D356 T357 F361 G362 | K355-K359 WeakPolarHBondContact O-CG 3.42Å; K355-K359 PolarHBondContact O-N 3.21Å; D356-K359 PolarHBondContact O-N 3.25Å; D356-K359 IonicContact OD1-NZ 2.73Å; T357-K359 PolarHBondContact O-N 3.46Å; K359-F361 VanDerWaalsContact C-N 3.26Å; K359-F361 PolarHBondContact O-N 3.22Å; K359-G362 PolarHBondContact O-N 3.45Å |
| 360 | I | 86.9 | Confident | 91.6 | Very high | 93 Ų | 93 | 43.8 Ų | 43.8 | 48% | 0.477 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -59.9 | -37.3 | 178.7 | -70.1 | 164.3 | 0 | 0 | 0 | 111.7 | R336 D356 T357 | R336-I360 WeakPolarHBondContact CD-O 3.27Å; D356-I360 VanDerWaalsContact O-CG1 3.27Å; D356-I360 WeakPolarHBondContact O-CG1 3.41Å; D356-I360 PolarHBondContact O-N 3.14Å; T357-I360 PolarHBondContact O-N 2.88Å |
| 361 | F | 89.4 | Confident | 92 | Very high | 15 Ų | 15 | 40 Ų | 40 | 7% | 0.066 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | 0 | 176.3 | -75.1 | -73.6 | 0 | 0 | 0 | 114 | I246 Y332 R336 V351 T357 R358 K359 L363 | I246-F361 HydrophobicContact CD1-CB 4.35Å; I246-F361 HydrophobicContact CD1-CD1 4.24Å; I246-F361 HydrophobicContact CD1-CG 4.3Å; I246-F361 HydrophobicContact CG2-CD1 3.73Å; I246-F361 HydrophobicContact CG2-CD2 4.17Å; I246-F361 HydrophobicContact CG2-CE1 3.38Å; I246-F361 HydrophobicContact CG2-CE2 3.85Å; I246-F361 HydrophobicContact CG2-CG 4.13Å; I246-F361 HydrophobicContact CG2-CZ 3.43Å; I246-F361 VanDerWaalsContact CG2-CZ 3.43Å; Y332-F361 HydrophobicContact CE2-CE1 4.16Å; Y332-F361 HydrophobicContact CE2-CZ 4.08Å; R336-F361 HydrophobicContact CB-CD1 4.39Å; R336-F361 HydrophobicContact CG-CD1 4.06Å; V351-F361 HydrophobicContact CG1-CD2 3.96Å; V351-F361 HydrophobicContact CG1-CE2 4.37Å; V351-F361 HydrophobicContact CG2-CE2 4.25Å; T357-F361 HydrophobicContact CG2-CD2 3.85Å; T357-F361 HydrophobicContact CG2-CE2 3.78Å; T357-F361 VanDerWaalsContact O-CD2 3.29Å; T357-F361 WeakPolarHBondContact O-CD2 3.49Å; T357-F361 PolarHBondContact O-N 3.14Å; T357-F361 VanDerWaalsContact O-N 3.12Å; R358-F361 CarbonylContact O-C 3.48Å; R358-F361 PolarHBondContact O-N 2.72Å; K359-F361 VanDerWaalsContact C-N 3.26Å; K359-F361 PolarHBondContact O-N 3.22Å; F361-L363 VanDerWaalsContact C-N 3.32Å; F361-L363 HydrophobicContact CB-CD1 4.17Å; F361-L363 HydrophobicContact CB-CD2 4.36Å; F361-L363 HydrophobicContact CB-CG 3.86Å; F361-L363 PolarHBondContact O-N 3.34Å |
| 362 | G | 88.8 | Confident | 92.2 | Very high | 36 Ų | 36 | 39.4 Ų | 39.4 | 37% | 0.371 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 64.6 | 33.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | R210 R358 K359 S364 | R210-G362 PolarHBondContact NH1-O 3.45Å; R210-G362 PolarHBondContact NH2-O 2.58Å; R358-G362 PolarHBondContact O-N 3.01Å; K359-G362 PolarHBondContact O-N 3.45Å; G362-S364 PolarHBondContact O-N 3.39Å |
| 363 | L | 92.2 | Very high | 92.2 | Very high | 15 Ų | 15 | 39.7 Ų | 39.7 | 8% | 0.079 | 21% | 0.212 | C | C | . | . | trans | -84.5 | 112.5 | 179.4 | -54.3 | 176.7 | 0 | 0 | 0 | 110 | F216 I246 V339 I345 M347 V351 R358 F361 | F216-L363 HydrophobicContact CD1-CD2 4.39Å; F216-L363 HydrophobicContact CE1-CB 4.47Å; F216-L363 HydrophobicContact CE1-CD2 3.74Å; I246-L363 HydrophobicContact CD1-CD1 4.3Å; I246-L363 HydrophobicContact CD1-CD2 3.93Å; V339-L363 HydrophobicContact CG1-CD2 3.56Å; V339-L363 HydrophobicContact CG2-CD2 4.48Å; I345-L363 HydrophobicContact CG2-CD2 4.39Å; M347-L363 HydrophobicContact CE-CD1 3.88Å; M347-L363 HydrophobicContact SD-CD1 3.97Å; V351-L363 HydrophobicContact CG1-CD1 3.68Å; R358-L363 HydrophobicContact CB-CB 4.16Å; R358-L363 HydrophobicContact CB-CD1 4.47Å; R358-L363 HydrophobicContact CG-CD1 4.32Å; R358-L363 PolarHBondContact O-N 3.04Å; F361-L363 VanDerWaalsContact C-N 3.32Å; F361-L363 HydrophobicContact CB-CD1 4.17Å; F361-L363 HydrophobicContact CB-CD2 4.36Å; F361-L363 HydrophobicContact CB-CG 3.86Å; F361-L363 PolarHBondContact O-N 3.34Å | ||
| 364 | S | 91.8 | Very high | 92 | Very high | 43 Ų | 43 | 40.4 Ų | 40.4 | 30% | 0.301 | 22% | 0.216 | S | C | . | . | trans | -98.6 | 124.8 | 166.6 | -166.4 | 0 | 0 | 0 | 0 | 109.6 | F216 G362 T366 N368 | F216-S364 VanDerWaalsContact CE2-O 3.28Å; F216-S364 WeakPolarHBondContact CE2-O 3.34Å; F216-S364 WeakPolarHBondContact CZ-O 3.38Å; G362-S364 PolarHBondContact O-N 3.39Å; S364-T366 PolarHBondContact OG-OG1 3.24Å; S364-N368 PolarHBondContact O-ND2 3.33Å | ||
| 365 | L | 93.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.2 | C | C | . | . | trans | -83.8 | -19.2 | 178.3 | -58.8 | -176.6 | 0 | 0 | 0 | 112.5 | F216 L352 D367 N368 V370 V549 E552 A553 | F216-L365 HydrophobicContact CD2-CD2 3.73Å; F216-L365 HydrophobicContact CE2-CD2 3.76Å; F216-L365 HydrophobicContact CG-CD2 4.4Å; F216-L365 HydrophobicContact CZ-CD2 4.5Å; L352-L365 HydrophobicContact CD1-CD2 4.27Å; L365-D367 PolarHBondContact O-N 2.9Å; L365-N368 WeakPolarHBondContact O-CB 3.39Å; L365-N368 PolarHBondContact O-N 3.22Å; L365-V370 HydrophobicContact CD2-CG2 3.92Å; L365-V549 HydrophobicContact CD1-CB 4.2Å; L365-V549 HydrophobicContact CD1-CG1 4.16Å; L365-V549 HydrophobicContact CD1-CG2 3.98Å; L365-E552 CarbonylContact C-O 3.32Å; L365-E552 HydrophobicContact CB-CB 3.85Å; L365-A553 WeakPolarHBondContact O-CA 3.44Å | ||
| 366 | T | 92.9 | Very high | 92 | Very high | 74 Ų | 74 | 33.1 Ų | 33.1 | 45% | 0.454 | 18% | 0.183 | S | C | . | . | B | Isolated β-bridge | trans | -50.2 | 127 | 179.1 | 58.1 | 0 | 0 | 0 | 0 | 112 | S364 N368 E552 | S364-T366 PolarHBondContact OG-OG1 3.24Å; T366-N368 PolarHBondContact O-N 3.47Å; T366-N368 PolarHBondContact O-ND2 3.11Å; T366-E552 VanDerWaalsContact CA-O 3.24Å; T366-E552 WeakPolarHBondContact CA-O 3.17Å; T366-E552 PolarHBondContact N-O 2.81Å |
| 367 | D | 90.3 | Very high | 92.1 | Very high | 114 Ų | 114 | 28.7 Ų | 28.7 | 61% | 0.61 | 16% | 0.159 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60 | 5.5 | -179.5 | -62.9 | -44 | 0 | 0 | 0 | 116.1 | L365 | L365-D367 PolarHBondContact O-N 2.9Š|
| 368 | N | 96.3 | Very high | 92.2 | Very high | 1 Ų | 1 | 27.4 Ų | 27.4 | 1% | 0.005 | 15% | 0.152 | C | C | . | . | trans | -104.2 | 159 | -179 | -67.3 | -37.1 | 0 | 0 | 0 | 111.6 | P213 Q214 F216 S364 L365 T366 R554 | P213-N368 WeakPolarHBondContact CA-OD1 3.2Å; Q214-N368 PolarHBondContact N-OD1 2.94Å; Q214-N368 WeakPolarHBondContact O-CB 3.44Å; F216-N368 HydrophobicContact CD2-CB 3.95Å; F216-N368 HydrophobicContact CE2-CB 3.43Å; F216-N368 VanDerWaalsContact CE2-CB 3.43Å; F216-N368 HydrophobicContact CZ-CB 4.39Å; S364-N368 PolarHBondContact O-ND2 3.33Å; L365-N368 WeakPolarHBondContact O-CB 3.39Å; L365-N368 PolarHBondContact O-N 3.22Å; T366-N368 PolarHBondContact O-N 3.47Å; T366-N368 PolarHBondContact O-ND2 3.11Å; N368-R554 WeakPolarHBondContact O-CB 2.82Å; N368-R554 PolarHBondContact O-N 3.44Å | ||
| 369 | V | 97.8 | Very high | 92.2 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 136.8 | -179.2 | 173.1 | 0 | 0 | 0 | 0 | 109.8 | L57 W84 Q214 I215 F216 I371 A555 | L57-V369 HydrophobicContact CD1-CG1 4.43Å; L57-V369 HydrophobicContact CD2-CB 4.35Å; L57-V369 HydrophobicContact CD2-CG1 3.42Å; L57-V369 VanDerWaalsContact CD2-CG1 3.42Å; L57-V369 HydrophobicContact CD2-CG2 3.94Å; W84-V369 HydrophobicContact CE3-CG2 4.12Å; W84-V369 HydrophobicContact CH2-CG2 3.49Å; W84-V369 VanDerWaalsContact CH2-CG2 3.49Å; W84-V369 HydrophobicContact CZ2-CG2 4.26Å; W84-V369 HydrophobicContact CZ3-CB 4.44Å; W84-V369 HydrophobicContact CZ3-CG2 3.4Å; W84-V369 VanDerWaalsContact CZ3-CG2 3.4Å; Q214-V369 PolarHBondContact O-N 3.38Å; I215-V369 HydrophobicContact CG1-CB 4.35Å; F216-V369 PolarHBondContact N-O 3.33Å; V369-I371 HydrophobicContact CG1-CG1 4.05Å; V369-A555 HydrophobicContact CG2-CB 4.42Å |
| 370 | V | 97.9 | Very high | 92.1 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 123.8 | 174.2 | 178.9 | 0 | 0 | 0 | 0 | 109.3 | F216 L352 L365 V372 V549 A553 A555 V556 V557 | F216-V370 HydrophobicContact CB-CG2 4.3Å; F216-V370 HydrophobicContact CD2-CG2 4.11Å; F216-V370 CarbonylContact O-C 3.57Å; F216-V370 WeakPolarHBondContact O-CA 3.35Å; L352-V370 HydrophobicContact CD1-CG1 4.02Å; L352-V370 HydrophobicContact CD2-CG1 3.62Å; L352-V370 HydrophobicContact CG-CG1 4.46Å; L365-V370 HydrophobicContact CD2-CG2 3.92Å; V370-V372 HydrophobicContact CG1-CG2 4.09Å; V370-V549 HydrophobicContact CG1-CG1 4.15Å; V370-V549 HydrophobicContact CG2-CG1 4.38Å; V370-A553 HydrophobicContact CB-CB 4.33Å; V370-A553 HydrophobicContact CG2-CB 3.69Å; V370-A555 PolarHBondContact N-O 3.43Å; V370-V556 HydrophobicContact CB-CG2 4.41Å; V370-V556 CarbonylContact O-C 3.34Å; V370-V556 WeakPolarHBondContact O-CA 3.33Å; V370-V557 PolarHBondContact O-N 3.01Å |
| 371 | I | 97.8 | Very high | 92.3 | Very high | 1 Ų | 1 | 22 Ų | 22 | 1% | 0.005 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 123.5 | 174.4 | -55 | -178.9 | 0 | 0 | 0 | 107.6 | L77 I215 F216 Y217 S218 V369 V557 T559 | L77-I371 HydrophobicContact CD2-CG2 4.14Å; I215-I371 HydrophobicContact CG2-CD1 3.83Å; I215-I371 HydrophobicContact CG2-CG1 4.22Å; F216-I371 PolarHBondContact O-N 2.85Å; Y217-I371 CarbonylContact C-O 3.48Å; Y217-I371 WeakPolarHBondContact CA-O 3.46Å; Y217-I371 HydrophobicContact CD2-CB 4.04Å; Y217-I371 HydrophobicContact CD2-CG2 3.81Å; Y217-I371 HydrophobicContact CE2-CG2 4.02Å; S218-I371 PolarHBondContact N-O 3.22Å; V369-I371 HydrophobicContact CG1-CG1 4.05Å; I371-V557 CarbonylContact C-O 3.55Å; I371-V557 WeakPolarHBondContact CA-O 3.47Å; I371-V557 HydrophobicContact CB-CB 4.47Å; I371-V557 HydrophobicContact CG1-CB 4.16Å; I371-V557 HydrophobicContact CG1-CG2 4.48Å; I371-V557 HydrophobicContact CG2-CB 4.35Å; I371-V557 HydrophobicContact CG2-CG1 4.34Å; I371-T559 HydrophobicContact CG2-CG2 4.08Å |
| 372 | V | 96.6 | Very high | 92.5 | Very high | 2 Ų | 2 | 21.2 Ų | 21.2 | 1% | 0.012 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 107 | 176.4 | -177.3 | 0 | 0 | 0 | 0 | 108.1 | Y349 L352 V370 A375 L378 V557 L558 T559 | Y349-V372 HydrophobicContact CD1-CG1 4.42Å; Y349-V372 HydrophobicContact CE1-CG1 3.59Å; L352-V372 HydrophobicContact CD2-CG2 3.7Å; V370-V372 HydrophobicContact CG1-CG2 4.09Å; V372-A375 HydrophobicContact CG1-CB 4.23Å; V372-L378 HydrophobicContact CG1-CD1 4.23Å; V372-L378 HydrophobicContact CG1-CD2 4.37Å; V372-V557 PolarHBondContact N-O 3.33Å; V372-L558 HydrophobicContact CB-CD2 3.86Å; V372-L558 HydrophobicContact CG1-CD2 4.49Å; V372-L558 HydrophobicContact CG2-CD2 4.12Å; V372-T559 WeakPolarHBondContact O-CG2 3.47Å; V372-T559 PolarHBondContact O-N 3.27Å |
| 373 | D | 94.1 | Very high | 92.6 | Very high | 5 Ų | 5 | 20.6 Ų | 20.6 | 3% | 0.027 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 146 | 177.5 | -176.4 | 35.8 | 0 | 0 | 0 | 112.1 | K73 Y217 S218 Y349 A375 T559 | K73-D373 WeakPolarHBondContact CE-OD1 3.41Å; K73-D373 IonicContact NZ-OD1 2.69Å; K73-D373 PolarHBondContact NZ-OD1 2.95Å; K73-D373 IonicContact NZ-OD2 3.82Å; Y217-D373 HydrophobicContact CE1-CB 4.29Å; Y217-D373 HydrophobicContact CE2-CB 4Å; Y217-D373 WeakPolarHBondContact OH-CB 3.26Å; Y217-D373 VanDerWaalsContact OH-CG 3.22Å; Y217-D373 PolarHBondContact OH-OD2 3.34Å; S218-D373 PolarHBondContact O-N 3.39Å; Y349-D373 WeakPolarHBondContact CE1-O 3.31Å; Y349-D373 VanDerWaalsContact CZ-O 3.31Å; Y349-D373 PolarHBondContact OH-O 2.91Å; D373-A375 VanDerWaalsContact C-N 3.3Å; D373-T559 CarbonylContact C-O 3.51Å; D373-T559 HydrophobicContact CB-CG2 3.83Å |
| 374 | E | 89.4 | Confident | 92.5 | Very high | 20 Ų | 20 | 24.3 Ų | 24.3 | 9% | 0.093 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60.6 | 36.1 | -166.2 | -55 | -56.9 | 159.3 | 0 | 0 | 113.6 | K73 Y349 H376 N377 T559 | K73-E374 IonicContact NZ-OE1 2.76Å; K73-E374 PolarHBondContact NZ-OE1 2.76Å; K73-E374 IonicContact NZ-OE2 3.43Å; Y349-E374 PolarHBondContact OH-O 3.2Å; E374-H376 PolarHBondContact O-N 2.77Å; E374-H376 IonicContact OE2-CE1 3.57Å; E374-H376 PolarHBondContact OE2-CE1 3.27Å; E374-H376 IonicContact OE2-ND1 3.55Å; E374-H376 PolarHBondContact OE2-ND1 3.02Å; E374-N377 PolarHBondContact O-N 3.3Å; E374-T559 WeakPolarHBondContact CA-O 3.3Å; E374-T559 PolarHBondContact N-O 2.93Å |
| 375 | A | 91.9 | Very high | 92.3 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 13% | 0.133 | C | C | . | . | G | 310 helix | trans | -59.1 | -14.1 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y349 V372 D373 N377 L378 L558 T559 M563 | Y349-A375 PolarHBondContact OH-N 3.01Å; V372-A375 HydrophobicContact CG1-CB 4.23Å; D373-A375 VanDerWaalsContact C-N 3.3Å; A375-N377 PolarHBondContact O-N 3.48Å; A375-L378 WeakPolarHBondContact O-CB 3.48Å; A375-L378 PolarHBondContact O-N 2.9Å; A375-L558 HydrophobicContact CB-CB 3.74Å; A375-L558 HydrophobicContact CB-CD2 4.24Å; A375-L558 HydrophobicContact CB-CG 4.45Å; A375-T559 PolarHBondContact N-O 2.8Å; A375-M563 HydrophobicContact CB-CE 3.94Å; A375-M563 HydrophobicContact CB-SD 4.34Å |
| 376 | H | 86.9 | Confident | 92.2 | Very high | 10 Ų | 10 | 26.5 Ų | 26.5 | 5% | 0.046 | 15% | 0.145 | C | C | . | . | G | 310 helix | trans | -56.7 | -31.3 | 169.7 | 70.4 | -94.7 | 0 | 0 | 0 | 111.8 | E374 T562 M563 K765 Q769 | E374-H376 PolarHBondContact O-N 2.77Å; E374-H376 IonicContact OE2-CE1 3.57Å; E374-H376 PolarHBondContact OE2-CE1 3.27Å; E374-H376 IonicContact OE2-ND1 3.55Å; E374-H376 PolarHBondContact OE2-ND1 3.02Å; H376-T562 WeakPolarHBondContact CB-O 3.34Å; H376-M563 HydrophobicContact CB-SD 4.32Å; H376-K765 WeakPolarHBondContact O-CE 3.1Å; H376-K765 PolarHBondContact O-NZ 3.28Å; H376-Q769 PolarHBondContact CD2-NE2 2.93Å; H376-Q769 PolarHBondContact NE2-NE2 3.19Å |
| 377 | N | 87.6 | Confident | 92.1 | Very high | 4 Ų | 4 | 24.1 Ų | 24.1 | 2% | 0.021 | 14% | 0.135 | C | C | . | . | G | 310 helix | trans | -89.3 | 1.8 | 175.5 | -61 | -47.4 | 0 | 0 | 0 | 114 | R220 E374 A375 T381 Q769 | R220-N377 PolarHBondContact NH1-ND2 2.91Å; R220-N377 VanDerWaalsContact NH1-ND2 3.1Å; R220-N377 PolarHBondContact NH1-OD1 2.81Å; E374-N377 PolarHBondContact O-N 3.3Å; A375-N377 PolarHBondContact O-N 3.48Å; N377-T381 WeakPolarHBondContact O-CB 3.06Å; N377-T381 PolarHBondContact O-N 3.33Å; N377-T381 PolarHBondContact O-OG1 3.49Å; N377-Q769 PolarHBondContact OD1-NE2 2.83Å |
| 378 | L | 92.2 | Very high | 92.1 | Very high | 2 Ų | 2 | 19.5 Ų | 19.5 | 1% | 0.01 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -59.6 | -53.7 | -171.9 | 175.6 | 57.7 | 0 | 0 | 0 | 112 | Y349 M353 V372 A375 E380 T381 V382 I546 L558 | Y349-L378 HydrophobicContact CE2-CD1 4.48Å; M353-L378 HydrophobicContact CE-CD1 3.47Å; M353-L378 VanDerWaalsContact CE-CD1 3.47Å; M353-L378 HydrophobicContact SD-CD1 3.98Å; V372-L378 HydrophobicContact CG1-CD1 4.23Å; V372-L378 HydrophobicContact CG1-CD2 4.37Å; A375-L378 WeakPolarHBondContact O-CB 3.48Å; A375-L378 PolarHBondContact O-N 2.9Å; L378-E380 PolarHBondContact O-N 2.86Å; L378-T381 PolarHBondContact O-N 3Å; L378-T381 VanDerWaalsContact O-N 3.16Å; L378-V382 HydrophobicContact CD1-CG2 4.08Å; L378-V382 WeakPolarHBondContact O-CG2 3.36Å; L378-V382 PolarHBondContact O-N 3.03Å; L378-I546 HydrophobicContact CD1-CD1 4.39Å; L378-I546 HydrophobicContact CD2-CD1 4.15Å; L378-I546 HydrophobicContact CG-CD1 4.12Å; L378-L558 HydrophobicContact CD2-CD1 4.45Å; L378-L558 HydrophobicContact CD2-CD2 3.86Å |
| 379 | L | 91.7 | Very high | 91.9 | Very high | 1 Ų | 1 | 23.3 Ų | 23.3 | 1% | 0.005 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -61.7 | -44.8 | -176.1 | -60.2 | -177.2 | 0 | 0 | 0 | 111.9 | T381 V382 E383 P542 I546 E568 L569 R572 L573 | L379-T381 VanDerWaalsContact C-N 3.3Å; L379-T381 PolarHBondContact O-N 3.21Å; L379-V382 PolarHBondContact O-N 3.16Å; L379-E383 VanDerWaalsContact O-CG 3.27Å; L379-E383 WeakPolarHBondContact O-CG 3.47Å; L379-E383 PolarHBondContact O-N 2.93Å; L379-P542 HydrophobicContact CD2-CB 4.36Å; L379-P542 HydrophobicContact CD2-CG 4.02Å; L379-I546 HydrophobicContact CD2-CD1 4.44Å; L379-E568 HydrophobicContact CD1-CG 4.18Å; L379-L569 HydrophobicContact CD1-CD2 4.06Å; L379-L569 HydrophobicContact CG-CD2 4.09Å; L379-R572 HydrophobicContact CD1-CB 3.88Å; L379-L573 HydrophobicContact CD2-CB 4.32Å |
| 380 | E | 89 | Confident | 91.6 | Very high | 104 Ų | 104 | 23.3 Ų | 23.3 | 49% | 0.486 | 13% | 0.127 | S | C | . | . | H | α-helix | trans | -61.4 | -40.4 | 176.4 | -174.1 | -171.1 | 167.5 | 0 | 0 | 111.5 | L378 E383 S384 | L378-E380 PolarHBondContact O-N 2.86Å; E380-E383 PolarHBondContact O-N 3.25Å; E380-S384 WeakPolarHBondContact O-CB 3.43Å; E380-S384 PolarHBondContact O-N 3.02Å |
| 381 | T | 90.3 | Very high | 91.3 | Very high | 14 Ų | 14 | 24.1 Ų | 24.1 | 9% | 0.086 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -67.1 | -40.4 | 178.7 | -54.4 | 0 | 0 | 0 | 0 | 111.4 | Y349 N377 L378 L379 S384 I385 | Y349-T381 HydrophobicContact CD2-CG2 3.74Å; Y349-T381 HydrophobicContact CG-CG2 4.43Å; N377-T381 WeakPolarHBondContact O-CB 3.06Å; N377-T381 PolarHBondContact O-N 3.33Å; N377-T381 PolarHBondContact O-OG1 3.49Å; L378-T381 PolarHBondContact O-N 3Å; L378-T381 VanDerWaalsContact O-N 3.16Å; L379-T381 VanDerWaalsContact C-N 3.3Å; L379-T381 PolarHBondContact O-N 3.21Å; T381-S384 PolarHBondContact O-N 3.42Å; T381-I385 HydrophobicContact CG2-CD1 3.82Å; T381-I385 HydrophobicContact CG2-CG1 4.36Å; T381-I385 WeakPolarHBondContact O-CD1 3.48Å; T381-I385 WeakPolarHBondContact O-CG1 3.39Å; T381-I385 PolarHBondContact O-N 3.46Å |
| 382 | V | 92.7 | Very high | 90.9 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -64.1 | -44.3 | 175.9 | 171 | 0 | 0 | 0 | 0 | 111.1 | M353 L378 L379 S384 I385 H386 L539 P542 C545 I546 | M353-V382 HydrophobicContact CB-CG2 4.4Å; M353-V382 HydrophobicContact CG-CG2 3.79Å; M353-V382 HydrophobicContact SD-CG2 3.69Å; L378-V382 HydrophobicContact CD1-CG2 4.08Å; L378-V382 WeakPolarHBondContact O-CG2 3.36Å; L378-V382 PolarHBondContact O-N 3.03Å; L379-V382 PolarHBondContact O-N 3.16Å; V382-S384 VanDerWaalsContact C-N 3.27Å; V382-S384 PolarHBondContact O-N 3.01Å; V382-I385 PolarHBondContact O-N 2.91Å; V382-H386 PolarHBondContact O-CD2 2.84Å; V382-H386 PolarHBondContact O-N 2.84Å; V382-L539 HydrophobicContact CG1-CD2 4.35Å; V382-P542 HydrophobicContact CB-CB 4.43Å; V382-P542 HydrophobicContact CG1-CB 3.91Å; V382-C545 HydrophobicContact CG1-CB 3.68Å; V382-I546 HydrophobicContact CG2-CD1 3.95Å; V382-I546 HydrophobicContact CG2-CG1 4.18Å |
| 383 | E | 92 | Very high | 90.4 | Very high | 22 Ų | 22 | 26.5 Ų | 26.5 | 10% | 0.103 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -58.7 | -39.6 | 174.6 | -71.4 | 170.7 | -166.5 | 0 | 0 | 112.4 | L379 E380 G387 P542 R572 K744 | L379-E383 VanDerWaalsContact O-CG 3.27Å; L379-E383 WeakPolarHBondContact O-CG 3.47Å; L379-E383 PolarHBondContact O-N 2.93Å; E380-E383 PolarHBondContact O-N 3.25Å; E383-G387 PolarHBondContact O-N 3.36Å; E383-P542 HydrophobicContact CG-CB 4.46Å; E383-R572 IonicContact OE1-CZ 3.33Å; E383-R572 IonicContact OE1-NH1 2.66Å; E383-R572 PolarHBondContact OE1-NH1 3.4Å; E383-R572 IonicContact OE1-NH2 2.63Å; E383-R572 PolarHBondContact OE1-NH2 3.47Å; E383-K744 IonicContact OE1-NZ 3.1Å; E383-K744 IonicContact OE2-NZ 3.66Å; E383-K744 PolarHBondContact OE2-NZ 3.35Å |
| 384 | S | 89.1 | Confident | 90.3 | Very high | 94 Ų | 94 | 28 Ų | 28 | 66% | 0.657 | 16% | 0.163 | S | C | * | . | H | α-helix | trans | -69.1 | -41.2 | 177.1 | -176.4 | 0 | 0 | 0 | 0 | 112.5 | E380 T381 V382 H386 | E380-S384 WeakPolarHBondContact O-CB 3.43Å; E380-S384 PolarHBondContact O-N 3.02Å; T381-S384 PolarHBondContact O-N 3.42Å; V382-S384 VanDerWaalsContact C-N 3.27Å; V382-S384 PolarHBondContact O-N 3.01Å; S384-H386 PolarHBondContact O-N 3.35Å |
| 385 | I | 89 | Confident | 90.4 | Very high | 35 Ų | 35 | 27.1 Ų | 27.1 | 18% | 0.179 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -64.6 | -39.7 | 178.8 | -71.4 | 165 | 0 | 0 | 0 | 111.8 | Q350 M353 Q354 T381 V382 | Q350-I385 HydrophobicContact CB-CD1 4.48Å; Q350-I385 HydrophobicContact CG-CD1 4.09Å; Q350-I385 HydrophobicContact CG-CG1 4.32Å; M353-I385 HydrophobicContact CB-CD1 4.09Å; M353-I385 HydrophobicContact CG-CD1 4.45Å; Q354-I385 HydrophobicContact CG-CG2 3.7Å; T381-I385 HydrophobicContact CG2-CD1 3.82Å; T381-I385 HydrophobicContact CG2-CG1 4.36Å; T381-I385 WeakPolarHBondContact O-CD1 3.48Å; T381-I385 WeakPolarHBondContact O-CG1 3.39Å; T381-I385 PolarHBondContact O-N 3.46Å; V382-I385 PolarHBondContact O-N 2.91Å |
| 386 | H | 90.7 | Very high | 90.3 | Very high | 54 Ų | 54 | 28.8 Ų | 28.8 | 25% | 0.25 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.2 | 8.5 | -176.1 | -68.8 | -80.3 | 0 | 0 | 0 | 113.6 | V382 S384 L539 C545 | V382-H386 PolarHBondContact O-CD2 2.84Å; V382-H386 PolarHBondContact O-N 2.84Å; S384-H386 PolarHBondContact O-N 3.35Å; H386-L539 HydrophobicContact CB-CD2 3.97Å; H386-C545 VanDerWaalsContact CD2-SG 3.52Å |
| 387 | G | 90.6 | Very high | 90.4 | Very high | 23 Ų | 23 | 30.4 Ų | 30.4 | 24% | 0.237 | 18% | 0.178 | C | C | . | . | trans | -89.3 | 166.6 | 167.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | E383 | E383-G387 PolarHBondContact O-N 3.36Š| ||
| 388 | F | 91.5 | Very high | 90.6 | Very high | 18 Ų | 18 | 30.2 Ų | 30.2 | 8% | 0.079 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 161.3 | 166.2 | 85.7 | -86.2 | 0 | 0 | 0 | 111.1 | I390 Y508 C511 F521 I535 K536 F537 | F388-I390 HydrophobicContact CD2-CB 4.31Å; F388-I390 HydrophobicContact CD2-CG2 4.36Å; F388-I390 HydrophobicContact CE2-CB 4.14Å; F388-I390 HydrophobicContact CE2-CG2 3.69Å; F388-Y508 AromaticContact CE1-CD2 3.68Å; F388-Y508 HydrophobicContact CE1-CD2 3.68Å; F388-Y508 HydrophobicContact CE1-CG 4.34Å; F388-Y508 AromaticContact CE2-CD2 3.84Å; F388-Y508 HydrophobicContact CE2-CD2 3.84Å; F388-Y508 AromaticContact CE2-CG 3.9Å; F388-Y508 HydrophobicContact CE2-CG 3.9Å; F388-Y508 AromaticContact CZ-CD2 3.15Å; F388-Y508 HydrophobicContact CZ-CD2 3.15Å; F388-Y508 AromaticContact CZ-CE2 3.95Å; F388-Y508 HydrophobicContact CZ-CE2 3.95Å; F388-Y508 AromaticContact CZ-CG 3.69Å; F388-Y508 HydrophobicContact CZ-CG 3.69Å; F388-C511 HydrophobicContact CD1-CB 3.75Å; F388-C511 WeakPolarHBondContact CD1-SG 3.32Å; F388-C511 HydrophobicContact CE1-CB 3.77Å; F388-F521 HydrophobicContact CE1-CD1 4.38Å; F388-F521 AromaticContact CE1-CE1 3.59Å; F388-F521 HydrophobicContact CE1-CE1 3.59Å; F388-F521 HydrophobicContact CE1-CZ 4.32Å; F388-F521 HydrophobicContact CZ-CD1 4.33Å; F388-F521 AromaticContact CZ-CE1 3.75Å; F388-F521 HydrophobicContact CZ-CE1 3.75Å; F388-I535 HydrophobicContact CE2-CG2 4.23Å; F388-I535 HydrophobicContact CZ-CG2 3.86Å; F388-K536 WeakPolarHBondContact O-CA 3.47Å; F388-F537 HydrophobicContact CD1-CB 3.41Å; F388-F537 VanDerWaalsContact CD1-CB 3.41Å; F388-F537 HydrophobicContact CD1-CG 4.39Å; F388-F537 HydrophobicContact CE1-CB 3.26Å; F388-F537 HydrophobicContact CE1-CG 4.27Å; F388-F537 HydrophobicContact CZ-CB 4.25Å; F388-F537 PolarHBondContact O-N 3.07Å |
| 389 | E | 91.3 | Very high | 90.7 | Very high | 81 Ų | 81 | 33.2 Ų | 33.2 | 38% | 0.379 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 134.8 | 170.2 | -171.5 | 177.2 | 137.1 | 0 | 0 | 109 | R526 I534 I535 | E389-R526 IonicContact OE1-CZ 3.39Å; E389-R526 IonicContact OE1-NH1 3.98Å; E389-R526 PolarHBondContact OE1-NH1 2.93Å; E389-R526 IonicContact OE1-NH2 3.94Å; E389-R526 PolarHBondContact OE1-NH2 2.98Å; E389-R526 IonicContact OE2-NH2 2.93Å; E389-R526 PolarHBondContact OE2-NH2 2.9Å; E389-R526 VanDerWaalsContact OE2-NH2 3.09Å; E389-I534 HydrophobicContact CG-CG2 3.27Å; E389-I535 WeakPolarHBondContact CA-O 3.43Å |
| 390 | I | 92.2 | Very high | 90.6 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 131 | 172.7 | -162.7 | 171.8 | 0 | 0 | 0 | 110.9 | F388 Q394 L395 A504 I505 I534 I535 | F388-I390 HydrophobicContact CD2-CB 4.31Å; F388-I390 HydrophobicContact CD2-CG2 4.36Å; F388-I390 HydrophobicContact CE2-CB 4.14Å; F388-I390 HydrophobicContact CE2-CG2 3.69Å; I390-Q394 HydrophobicContact CG1-CB 3.93Å; I390-L395 HydrophobicContact CD1-CD2 3.69Å; I390-L395 HydrophobicContact CD1-CG 3.81Å; I390-L395 HydrophobicContact CG1-CD2 4.47Å; I390-L395 HydrophobicContact CG1-CG 4.06Å; I390-L395 HydrophobicContact CG2-CD1 4.15Å; I390-L395 HydrophobicContact CG2-CG 4.34Å; I390-A504 HydrophobicContact CD1-CB 4.24Å; I390-A504 HydrophobicContact CG1-CB 4.32Å; I390-I505 HydrophobicContact CD1-CG1 3.62Å; I390-I534 WeakPolarHBondContact O-CA 3.48Å; I390-I535 HydrophobicContact CG2-CB 3.94Å; I390-I535 PolarHBondContact N-O 3.47Å; I390-I535 PolarHBondContact O-N 3.46Å |
| 391 | S | 90.6 | Very high | 90.7 | Very high | 16 Ų | 16 | 33.5 Ų | 33.5 | 11% | 0.112 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 155.5 | -179.5 | 74.3 | 0 | 0 | 0 | 0 | 112.9 | G393 Q394 L395 | S391-G393 PolarHBondContact O-N 3.38Å; S391-Q394 PolarHBondContact O-N 2.76Å; S391-Q394 VanDerWaalsContact O-N 3.11Å; S391-Q394 WeakPolarHBondContact OG-CG 3.5Å; S391-Q394 PolarHBondContact OG-N 3.27Å; S391-L395 PolarHBondContact O-N 2.84Å |
| 392 | S | 89.5 | Confident | 90.8 | Very high | 14 Ų | 14 | 32.8 Ų | 32.8 | 10% | 0.098 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -54.7 | -33.8 | 170.9 | 57.4 | 0 | 0 | 0 | 0 | 113 | S396 S531 K533 | S392-S396 WeakPolarHBondContact O-CB 3.27Å; S392-S396 PolarHBondContact O-N 3.42Å; S392-S396 PolarHBondContact O-OG 2.67Å; S392-S531 PolarHBondContact OG-O 3.24Å; S392-K533 VanDerWaalsContact CB-O 3.29Å; S392-K533 WeakPolarHBondContact CB-O 3.33Å; S392-K533 PolarHBondContact N-O 3.09Å; S392-K533 PolarHBondContact OG-N 3.33Å; S392-K533 PolarHBondContact OG-O 3.15Å |
| 393 | G | 87.3 | Confident | 90.7 | Very high | 40 Ų | 40 | 35 Ų | 35 | 41% | 0.412 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -64.9 | -47.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | S391 L395 S396 Q397 | S391-G393 PolarHBondContact O-N 3.38Å; G393-L395 PolarHBondContact O-N 3.41Å; G393-S396 PolarHBondContact O-N 3.25Å; G393-Q397 WeakPolarHBondContact O-CB 3.41Å; G393-Q397 PolarHBondContact O-N 2.61Å |
| 394 | Q | 90.2 | Very high | 90.6 | Very high | 37 Ų | 37 | 35.7 Ų | 35.7 | 17% | 0.173 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.6 | -41.7 | 177.1 | -73 | 172.7 | -41.4 | 0 | 0 | 112 | I390 S391 Q397 A398 T498 V501 | I390-Q394 HydrophobicContact CG1-CB 3.93Å; S391-Q394 PolarHBondContact O-N 2.76Å; S391-Q394 VanDerWaalsContact O-N 3.11Å; S391-Q394 WeakPolarHBondContact OG-CG 3.5Å; S391-Q394 PolarHBondContact OG-N 3.27Å; Q394-Q397 PolarHBondContact O-N 2.73Å; Q394-A398 WeakPolarHBondContact O-CB 3.47Å; Q394-A398 PolarHBondContact O-N 2.98Å; Q394-T498 HydrophobicContact CG-CG2 4.35Å; Q394-V501 HydrophobicContact CB-CG2 4.11Å; Q394-V501 HydrophobicContact CG-CG2 4.05Å; Q394-V501 WeakPolarHBondContact O-CG1 3.5Å |
| 395 | L | 91.9 | Very high | 90.7 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -64.4 | -42 | 176 | -79 | 168.6 | 0 | 0 | 0 | 112.2 | I390 S391 G393 Q397 A398 K399 V428 L435 I535 | I390-L395 HydrophobicContact CD1-CD2 3.69Å; I390-L395 HydrophobicContact CD1-CG 3.81Å; I390-L395 HydrophobicContact CG1-CD2 4.47Å; I390-L395 HydrophobicContact CG1-CG 4.06Å; I390-L395 HydrophobicContact CG2-CD1 4.15Å; I390-L395 HydrophobicContact CG2-CG 4.34Å; S391-L395 PolarHBondContact O-N 2.84Å; G393-L395 PolarHBondContact O-N 3.41Å; L395-Q397 VanDerWaalsContact C-N 3.34Å; L395-Q397 PolarHBondContact O-N 2.99Å; L395-A398 WeakPolarHBondContact O-CB 3.4Å; L395-A398 PolarHBondContact O-N 3.15Å; L395-K399 WeakPolarHBondContact O-CB 3.46Å; L395-K399 PolarHBondContact O-N 3.29Å; L395-V428 HydrophobicContact CD2-CG1 4.28Å; L395-L435 HydrophobicContact CD1-CD1 3.47Å; L395-L435 VanDerWaalsContact CD1-CD1 3.47Å; L395-I535 HydrophobicContact CD1-CD1 4.08Å |
| 396 | S | 90.7 | Very high | 90.8 | Very high | 36 Ų | 36 | 30 Ų | 30 | 25% | 0.252 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -63.5 | -40.8 | 175.6 | -59.3 | 0 | 0 | 0 | 0 | 111.7 | S392 G393 K399 I400 | S392-S396 WeakPolarHBondContact O-CB 3.27Å; S392-S396 PolarHBondContact O-N 3.42Å; S392-S396 PolarHBondContact O-OG 2.67Å; G393-S396 PolarHBondContact O-N 3.25Å; S396-K399 WeakPolarHBondContact O-CB 3.32Å; S396-K399 PolarHBondContact O-N 2.95Å; S396-I400 WeakPolarHBondContact O-CG1 3.4Å; S396-I400 PolarHBondContact O-N 2.94Å; S396-I400 VanDerWaalsContact O-N 3.1Å |
| 397 | Q | 89 | Confident | 90.7 | Very high | 43 Ų | 43 | 32 Ų | 32 | 20% | 0.201 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -62.8 | -45.5 | 174.2 | -174.3 | 179.1 | 13 | 0 | 0 | 111.4 | G393 Q394 L395 K399 I400 A401 L487 T498 | G393-Q397 WeakPolarHBondContact O-CB 3.41Å; G393-Q397 PolarHBondContact O-N 2.61Å; Q394-Q397 PolarHBondContact O-N 2.73Å; L395-Q397 VanDerWaalsContact C-N 3.34Å; L395-Q397 PolarHBondContact O-N 2.99Å; Q397-K399 VanDerWaalsContact C-N 3.32Å; Q397-K399 PolarHBondContact O-N 3.42Å; Q397-I400 PolarHBondContact O-N 2.99Å; Q397-A401 WeakPolarHBondContact O-CB 3.31Å; Q397-A401 PolarHBondContact O-N 3.16Å; Q397-L487 HydrophobicContact CG-CD2 4.2Å; Q397-T498 PolarHBondContact OE1-OG1 3.36Å |
| 398 | A | 92.2 | Very high | 90.6 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -61.3 | -41.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q394 L395 A401 L402 V428 V501 F502 I505 | Q394-A398 WeakPolarHBondContact O-CB 3.47Å; Q394-A398 PolarHBondContact O-N 2.98Å; L395-A398 WeakPolarHBondContact O-CB 3.4Å; L395-A398 PolarHBondContact O-N 3.15Å; A398-A401 PolarHBondContact O-N 3.16Å; A398-L402 WeakPolarHBondContact O-CB 3.33Å; A398-L402 WeakPolarHBondContact O-CG 3.47Å; A398-L402 PolarHBondContact O-N 3.32Å; A398-V428 HydrophobicContact CB-CG1 3.97Å; A398-V501 HydrophobicContact CB-CG1 3.59Å; A398-F502 HydrophobicContact CB-CE1 4.49Å; A398-F502 HydrophobicContact CB-CZ 4.18Å; A398-I505 HydrophobicContact CB-CD1 3.27Å |
| 399 | K | 92.8 | Very high | 90.4 | Very high | 65 Ų | 65 | 35 Ų | 35 | 28% | 0.283 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -58 | -52.7 | 176.3 | 171.5 | -179.5 | 173.7 | 137 | 0 | 111.2 | L395 S396 Q397 A401 L402 C403 V428 D429 T432 | L395-K399 WeakPolarHBondContact O-CB 3.46Å; L395-K399 PolarHBondContact O-N 3.29Å; S396-K399 WeakPolarHBondContact O-CB 3.32Å; S396-K399 PolarHBondContact O-N 2.95Å; Q397-K399 VanDerWaalsContact C-N 3.32Å; Q397-K399 PolarHBondContact O-N 3.42Å; K399-A401 VanDerWaalsContact C-N 3.3Å; K399-A401 PolarHBondContact O-N 3.28Å; K399-L402 PolarHBondContact O-N 3.42Å; K399-C403 WeakPolarHBondContact O-CB 3.21Å; K399-C403 PolarHBondContact O-N 2.81Å; K399-C403 PolarHBondContact O-SG 2.81Å; K399-V428 HydrophobicContact CB-CG1 4.01Å; K399-D429 WeakPolarHBondContact CD-OD1 3.48Å; K399-D429 WeakPolarHBondContact CE-OD1 3.47Å; K399-D429 VanDerWaalsContact CG-OD1 3.29Å; K399-D429 WeakPolarHBondContact CG-OD1 3.47Å; K399-D429 IonicContact NZ-OD1 3.89Å; K399-D429 PolarHBondContact NZ-OD1 2.94Å; K399-T432 HydrophobicContact CD-CG2 4.49Å |
| 400 | I | 90.6 | Very high | 90.2 | Very high | 110 Ų | 110 | 37.1 Ų | 37.1 | 56% | 0.564 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -60.2 | -44.7 | 179.4 | -66.2 | 166.5 | 0 | 0 | 0 | 109.7 | S396 Q397 C403 S404 | S396-I400 WeakPolarHBondContact O-CG1 3.4Å; S396-I400 PolarHBondContact O-N 2.94Å; S396-I400 VanDerWaalsContact O-N 3.1Å; Q397-I400 PolarHBondContact O-N 2.99Å; I400-C403 PolarHBondContact O-N 3.48Å; I400-S404 WeakPolarHBondContact O-CB 3.25Å; I400-S404 PolarHBondContact O-N 3.47Å; I400-S404 PolarHBondContact O-OG 2.91Å; I400-S404 VanDerWaalsContact O-OG 3.12Å |
| 401 | A | 90.2 | Very high | 90 | Very high | 1 Ų | 1 | 42.7 Ų | 42.7 | 1% | 0.008 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -61.2 | -46.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q397 A398 K399 S404 Y405 M483 F486 L487 F502 | Q397-A401 WeakPolarHBondContact O-CB 3.31Å; Q397-A401 PolarHBondContact O-N 3.16Å; A398-A401 PolarHBondContact O-N 3.16Å; K399-A401 VanDerWaalsContact C-N 3.3Å; K399-A401 PolarHBondContact O-N 3.28Å; A401-S404 PolarHBondContact O-N 2.98Å; A401-Y405 WeakPolarHBondContact O-CB 3.35Å; A401-Y405 PolarHBondContact O-N 2.95Å; A401-M483 HydrophobicContact CB-CE 4.02Å; A401-F486 WeakPolarHBondContact O-CE1 3.39Å; A401-L487 HydrophobicContact CB-CD2 3.53Å; A401-L487 HydrophobicContact CB-CG 3.96Å; A401-F502 HydrophobicContact CB-CE2 4.06Å; A401-F502 HydrophobicContact CB-CZ 4.04Å |
| 402 | L | 92.5 | Very high | 89.8 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -65 | -41.2 | 178 | -77.4 | 168.8 | 0 | 0 | 0 | 112.2 | A398 K399 Y405 L406 V421 L424 Q425 V428 M483 F502 | A398-L402 WeakPolarHBondContact O-CB 3.33Å; A398-L402 WeakPolarHBondContact O-CG 3.47Å; A398-L402 PolarHBondContact O-N 3.32Å; K399-L402 PolarHBondContact O-N 3.42Å; L402-Y405 PolarHBondContact O-N 3.09Å; L402-L406 WeakPolarHBondContact O-CB 3.19Å; L402-L406 PolarHBondContact O-N 3.37Å; L402-V421 HydrophobicContact CD2-CG1 4.41Å; L402-L424 HydrophobicContact CD1-CD2 4.34Å; L402-L424 HydrophobicContact CD1-CG 4.09Å; L402-L424 HydrophobicContact CD2-CD2 4.04Å; L402-Q425 HydrophobicContact CB-CG 4.42Å; L402-V428 HydrophobicContact CD1-CB 4.17Å; L402-V428 HydrophobicContact CD1-CG2 3.84Å; L402-M483 HydrophobicContact CD2-CE 3.75Å; L402-M483 HydrophobicContact CD2-SD 4.25Å; L402-M483 HydrophobicContact CG-CE 4.07Å; L402-F502 HydrophobicContact CD1-CE1 4.07Å; L402-F502 HydrophobicContact CD2-CE1 3.9Å; L402-F502 HydrophobicContact CD2-CZ 4.3Å; L402-F502 HydrophobicContact CG-CE1 3.79Å; L402-F502 HydrophobicContact CG-CZ 3.94Å |
| 403 | C | 91.8 | Very high | 89.7 | Confident | 46 Ų | 46 | 48 Ų | 48 | 31% | 0.311 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -60 | -49.5 | 176.2 | -68 | 0 | 0 | 0 | 0 | 111 | K399 I400 Y405 L406 S407 Q425 | K399-C403 WeakPolarHBondContact O-CB 3.21Å; K399-C403 PolarHBondContact O-N 2.81Å; K399-C403 PolarHBondContact O-SG 2.81Å; I400-C403 PolarHBondContact O-N 3.48Å; C403-Y405 VanDerWaalsContact C-N 3.31Å; C403-Y405 PolarHBondContact O-N 3.36Å; C403-L406 PolarHBondContact O-N 3.44Å; C403-S407 PolarHBondContact O-N 2.97Å; C403-S407 PolarHBondContact O-OG 3.28Å; C403-Q425 PolarHBondContact SG-NE2 3Å |
| 404 | S | 89.7 | Confident | 89.7 | Confident | 37 Ų | 37 | 47.3 Ų | 47.3 | 26% | 0.259 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -64.6 | -35.6 | 178.3 | -64.4 | 0 | 0 | 0 | 0 | 112.4 | I400 A401 S407 K408 | I400-S404 WeakPolarHBondContact O-CB 3.25Å; I400-S404 PolarHBondContact O-N 3.47Å; I400-S404 PolarHBondContact O-OG 2.91Å; I400-S404 VanDerWaalsContact O-OG 3.12Å; A401-S404 PolarHBondContact O-N 2.98Å; S404-S407 WeakPolarHBondContact CA-OG 3.36Å; S404-S407 PolarHBondContact O-OG 3.36Å; S404-K408 WeakPolarHBondContact O-CB 3.3Å; S404-K408 PolarHBondContact O-N 3.29Å |
| 405 | Y | 91 | Very high | 89.6 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -68 | -47.5 | 179.5 | -173.7 | -108 | 0 | 0 | 0 | 110.9 | I185 L187 A401 L402 C403 K408 F409 F413 M483 F486 | I185-Y405 HydrophobicContact CG2-CE2 3.88Å; I185-Y405 WeakPolarHBondContact O-CE2 3.29Å; I185-Y405 PolarHBondContact O-OH 3.09Å; L187-Y405 HydrophobicContact CD1-CE1 3.7Å; L187-Y405 HydrophobicContact CG-CE1 4.17Å; L187-Y405 WeakPolarHBondContact CG-OH 3.31Å; L187-Y405 PolarHBondContact N-OH 3.31Å; L187-Y405 VanDerWaalsContact N-OH 3.15Å; A401-Y405 WeakPolarHBondContact O-CB 3.35Å; A401-Y405 PolarHBondContact O-N 2.95Å; L402-Y405 PolarHBondContact O-N 3.09Å; C403-Y405 VanDerWaalsContact C-N 3.31Å; C403-Y405 PolarHBondContact O-N 3.36Å; Y405-K408 PolarHBondContact O-N 3.08Å; Y405-F409 AromaticContact CD2-CD2 3.53Å; Y405-F409 HydrophobicContact CD2-CD2 3.53Å; Y405-F409 AromaticContact CD2-CE2 3.72Å; Y405-F409 HydrophobicContact CD2-CE2 3.72Å; Y405-F409 AromaticContact CE2-CD2 3.31Å; Y405-F409 HydrophobicContact CE2-CD2 3.31Å; Y405-F409 AromaticContact CE2-CE2 3.43Å; Y405-F409 HydrophobicContact CE2-CE2 3.43Å; Y405-F409 VanDerWaalsContact CE2-CE2 3.43Å; Y405-F409 HydrophobicContact CE2-CG 4.4Å; Y405-F409 HydrophobicContact CG-CD2 4.25Å; Y405-F409 AromaticContact CZ-CD2 3.88Å; Y405-F409 WeakPolarHBondContact O-CD2 3.47Å; Y405-F409 PolarHBondContact O-N 2.82Å; Y405-F413 HydrophobicContact CD1-CE2 4.4Å; Y405-F413 AromaticContact CD1-CZ 4Å; Y405-F413 HydrophobicContact CD1-CZ 4Å; Y405-F413 HydrophobicContact CE1-CE1 4.16Å; Y405-F413 HydrophobicContact CE1-CE2 4.1Å; Y405-F413 AromaticContact CE1-CZ 3.32Å; Y405-F413 HydrophobicContact CE1-CZ 3.32Å; Y405-F413 AromaticContact CZ-CZ 3.76Å; Y405-M483 HydrophobicContact CD1-SD 3.59Å; Y405-M483 VanDerWaalsContact CD1-SD 3.59Å; Y405-M483 HydrophobicContact CD2-SD 3.82Å; Y405-M483 HydrophobicContact CE1-SD 4.02Å; Y405-M483 HydrophobicContact CE2-SD 4.25Å; Y405-M483 HydrophobicContact CG-CE 4.08Å; Y405-M483 HydrophobicContact CG-SD 3.48Å; Y405-F486 VanDerWaalsContact CB-CE1 3.48Å; Y405-F486 HydrophobicContact CD2-CB 4.08Å; Y405-F486 AromaticContact CD2-CD1 3.63Å; Y405-F486 HydrophobicContact CD2-CD1 3.63Å; Y405-F486 AromaticContact CD2-CD2 3.93Å; Y405-F486 HydrophobicContact CD2-CD2 3.93Å; Y405-F486 AromaticContact CD2-CE1 3.99Å; Y405-F486 HydrophobicContact CD2-CE1 3.99Å; Y405-F486 HydrophobicContact CD2-CE2 4.29Å; Y405-F486 AromaticContact CD2-CG 3.59Å; Y405-F486 HydrophobicContact CD2-CG 3.59Å; Y405-F486 HydrophobicContact CD2-CZ 4.32Å; Y405-F486 HydrophobicContact CE2-CB 4.49Å; Y405-F486 HydrophobicContact CE2-CG 4.35Å; Y405-F486 HydrophobicContact CG-CD1 4.12Å; Y405-F486 HydrophobicContact CG-CE1 4.26Å; Y405-F486 HydrophobicContact CG-CG 4.5Å |
| 406 | L | 90.2 | Very high | 89.5 | Confident | 8 Ų | 8 | 55.9 Ų | 55.9 | 4% | 0.042 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -60.5 | -49.4 | 172.9 | -80.7 | 167.4 | 0 | 0 | 0 | 110.8 | L402 C403 K408 F409 R410 F413 L418 V421 Q422 Q425 | L402-L406 WeakPolarHBondContact O-CB 3.19Å; L402-L406 PolarHBondContact O-N 3.37Å; C403-L406 PolarHBondContact O-N 3.44Å; L406-K408 PolarHBondContact O-N 2.87Å; L406-F409 PolarHBondContact O-N 2.97Å; L406-R410 WeakPolarHBondContact O-CA 3.33Å; L406-R410 WeakPolarHBondContact O-CB 3.33Å; L406-R410 PolarHBondContact O-N 2.98Å; L406-F413 HydrophobicContact CD2-CD2 4.33Å; L406-F413 HydrophobicContact CD2-CE2 4.1Å; L406-L418 HydrophobicContact CD2-CD1 3.85Å; L406-V421 HydrophobicContact CD1-CG1 3.97Å; L406-V421 HydrophobicContact CD2-CB 4.09Å; L406-V421 HydrophobicContact CD2-CG1 3.56Å; L406-V421 HydrophobicContact CG-CG1 3.67Å; L406-Q422 HydrophobicContact CD1-CG 4.48Å; L406-Q425 HydrophobicContact CD1-CB 4.15Å; L406-Q425 HydrophobicContact CD1-CG 4.36Å |
| 407 | S | 88.9 | Confident | 89.5 | Confident | 96 Ų | 96 | 54.4 Ų | 54.4 | 67% | 0.671 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -58.8 | -34.2 | -179.7 | 61.2 | 0 | 0 | 0 | 0 | 113.1 | C403 S404 | C403-S407 PolarHBondContact O-N 2.97Å; C403-S407 PolarHBondContact O-OG 3.28Å; S404-S407 WeakPolarHBondContact CA-OG 3.36Å; S404-S407 PolarHBondContact O-OG 3.36Å |
| 408 | K | 87.5 | Confident | 89.7 | Confident | 101 Ų | 101 | 54 Ų | 54 | 44% | 0.439 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -76.9 | -39.1 | -179.6 | -172.3 | 176 | -179.6 | 177.3 | 0 | 113.2 | S404 Y405 L406 F486 | S404-K408 WeakPolarHBondContact O-CB 3.3Å; S404-K408 PolarHBondContact O-N 3.29Å; Y405-K408 PolarHBondContact O-N 3.08Å; L406-K408 PolarHBondContact O-N 2.87Å; K408-F486 HydrophobicContact CD-CE2 3.64Å; K408-F486 HydrophobicContact CD-CZ 4.33Å |
| 409 | F | 88.5 | Confident | 89.7 | Confident | 3 Ų | 3 | 58.1 Ų | 58.1 | 1% | 0.013 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -115.9 | 0.7 | -168.6 | -64.2 | -67.3 | 0 | 0 | 0 | 114.9 | I185 L186 Y405 L406 S411 R412 F413 F486 | I185-F409 HydrophobicContact CB-CZ 4.28Å; I185-F409 HydrophobicContact CG2-CE2 4.2Å; I185-F409 HydrophobicContact CG2-CZ 4.44Å; L186-F409 HydrophobicContact CB-CD1 4.47Å; L186-F409 HydrophobicContact CB-CE1 4.39Å; L186-F409 HydrophobicContact CD1-CB 3.75Å; L186-F409 HydrophobicContact CD1-CD1 3.49Å; L186-F409 VanDerWaalsContact CD1-CD1 3.49Å; L186-F409 HydrophobicContact CD1-CE1 4.23Å; L186-F409 HydrophobicContact CD1-CG 3.79Å; Y405-F409 AromaticContact CD2-CD2 3.53Å; Y405-F409 HydrophobicContact CD2-CD2 3.53Å; Y405-F409 AromaticContact CD2-CE2 3.72Å; Y405-F409 HydrophobicContact CD2-CE2 3.72Å; Y405-F409 AromaticContact CE2-CD2 3.31Å; Y405-F409 HydrophobicContact CE2-CD2 3.31Å; Y405-F409 AromaticContact CE2-CE2 3.43Å; Y405-F409 HydrophobicContact CE2-CE2 3.43Å; Y405-F409 VanDerWaalsContact CE2-CE2 3.43Å; Y405-F409 HydrophobicContact CE2-CG 4.4Å; Y405-F409 HydrophobicContact CG-CD2 4.25Å; Y405-F409 AromaticContact CZ-CD2 3.88Å; Y405-F409 WeakPolarHBondContact O-CD2 3.47Å; Y405-F409 PolarHBondContact O-N 2.82Å; L406-F409 PolarHBondContact O-N 2.97Å; F409-S411 VanDerWaalsContact C-N 3.27Å; F409-S411 PolarHBondContact O-N 3.29Å; F409-S411 VanDerWaalsContact O-N 3.1Å; F409-R412 PolarHBondContact O-N 3.28Å; F409-F413 HydrophobicContact CB-CE1 3.79Å; F409-F413 HydrophobicContact CB-CE2 3.74Å; F409-F413 HydrophobicContact CB-CZ 3.28Å; F409-F413 HydrophobicContact CG-CZ 4.27Å; F409-F413 PolarHBondContact O-N 3.47Å; F409-F486 HydrophobicContact CE2-CD2 4.17Å; F409-F486 HydrophobicContact CE2-CE2 4.18Å |
| 410 | R | 87.9 | Confident | 89.7 | Confident | 126 Ų | 126 | 55.6 Ų | 55.6 | 48% | 0.475 | 30% | 0.3 | S | S | . | . | G | 310 helix | trans | -48.1 | -42.7 | -176.7 | -177.7 | 173.2 | -171.3 | 81.8 | 5.4 | 114.3 | L406 R412 L418 Q422 | L406-R410 WeakPolarHBondContact O-CA 3.33Å; L406-R410 WeakPolarHBondContact O-CB 3.33Å; L406-R410 PolarHBondContact O-N 2.98Å; R410-R412 VanDerWaalsContact C-N 3.27Å; R410-R412 PolarHBondContact O-N 3.15Å; R410-L418 HydrophobicContact CG-CD1 4.18Å; R410-Q422 VanDerWaalsContact NH1-NE2 3.18Å |
| 411 | S | 87 | Confident | 89.9 | Confident | 117 Ų | 117 | 50.3 Ų | 50.3 | 82% | 0.818 | 27% | 0.273 | S | S | * | . | G | 310 helix | trans | -74.2 | -15.5 | -178 | 55 | 0 | 0 | 0 | 0 | 114 | F409 | F409-S411 VanDerWaalsContact C-N 3.27Å; F409-S411 PolarHBondContact O-N 3.29Å; F409-S411 VanDerWaalsContact O-N 3.1Å |
| 412 | R | 86.4 | Confident | 90.1 | Very high | 124 Ų | 124 | 53.8 Ų | 53.8 | 47% | 0.468 | 29% | 0.289 | S | S | . | . | G | 310 helix | trans | -99.4 | -12 | -178.7 | -62.9 | -177.2 | 72 | -175.9 | 0.7 | 113.2 | D183 L186 F409 R410 | D183-R412 IonicContact OD1-CZ 3.59Å; D183-R412 IonicContact OD1-NH1 3.29Å; D183-R412 PolarHBondContact OD1-NH1 3.42Å; D183-R412 IonicContact OD1-NH2 3.85Å; D183-R412 PolarHBondContact OD1-NH2 3.13Å; L186-R412 HydrophobicContact CD1-CB 3.85Å; L186-R412 HydrophobicContact CD2-CB 4.11Å; F409-R412 PolarHBondContact O-N 3.28Å; R410-R412 VanDerWaalsContact C-N 3.27Å; R410-R412 PolarHBondContact O-N 3.15Å |
| 413 | F | 87.7 | Confident | 90.2 | Very high | 18 Ų | 18 | 56.2 Ų | 56.2 | 8% | 0.079 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -79 | 143.6 | 179 | -64.6 | -37.2 | 0 | 0 | 0 | 112.4 | L186 L187 Y405 L406 F409 I417 L418 | L186-F413 HydrophobicContact CD1-CD1 4Å; L186-F413 HydrophobicContact CD1-CE1 3.54Å; L186-F413 HydrophobicContact CD1-CZ 4.37Å; L187-F413 HydrophobicContact CB-CD1 4.13Å; L187-F413 HydrophobicContact CB-CE1 3.73Å; L187-F413 HydrophobicContact CD1-CE1 4.1Å; L187-F413 HydrophobicContact CD1-CZ 4.24Å; L187-F413 HydrophobicContact CG-CE1 4.23Å; Y405-F413 HydrophobicContact CD1-CE2 4.4Å; Y405-F413 AromaticContact CD1-CZ 4Å; Y405-F413 HydrophobicContact CD1-CZ 4Å; Y405-F413 HydrophobicContact CE1-CE1 4.16Å; Y405-F413 HydrophobicContact CE1-CE2 4.1Å; Y405-F413 AromaticContact CE1-CZ 3.32Å; Y405-F413 HydrophobicContact CE1-CZ 3.32Å; Y405-F413 AromaticContact CZ-CZ 3.76Å; L406-F413 HydrophobicContact CD2-CD2 4.33Å; L406-F413 HydrophobicContact CD2-CE2 4.1Å; F409-F413 HydrophobicContact CB-CE1 3.79Å; F409-F413 HydrophobicContact CB-CE2 3.74Å; F409-F413 HydrophobicContact CB-CZ 3.28Å; F409-F413 HydrophobicContact CG-CZ 4.27Å; F409-F413 PolarHBondContact O-N 3.47Å; F413-I417 HydrophobicContact CB-CB 4.36Å; F413-I417 HydrophobicContact CB-CG2 4.11Å; F413-I417 HydrophobicContact CD1-CG2 3.73Å; F413-I417 HydrophobicContact CE1-CG2 4.32Å; F413-I417 HydrophobicContact CG-CG2 3.89Å; F413-L418 HydrophobicContact CB-CB 4.09Å; F413-L418 HydrophobicContact CD2-CD1 4.25Å |
| 414 | S | 87.3 | Confident | 90.4 | Very high | 26 Ų | 26 | 54 Ų | 54 | 18% | 0.182 | 29% | 0.286 | C | S | . | . | trans | -65.2 | 161.4 | 164.6 | 75.8 | 0 | 0 | 0 | 0 | 111.4 | D189 K416 I417 L418 | D189-S414 VanDerWaalsContact CG-OG 3.23Å; D189-S414 WeakPolarHBondContact OD1-CB 3.27Å; D189-S414 PolarHBondContact OD1-OG 3.17Å; D189-S414 WeakPolarHBondContact OD2-CB 3.45Å; D189-S414 PolarHBondContact OD2-OG 3.02Å; S414-K416 PolarHBondContact O-N 3.32Å; S414-I417 PolarHBondContact O-N 3.3Å; S414-I417 WeakPolarHBondContact OG-CG1 3.49Å; S414-I417 PolarHBondContact OG-N 3.17Å; S414-I417 VanDerWaalsContact OG-N 3.16Å; S414-L418 VanDerWaalsContact O-CB 3.24Å; S414-L418 WeakPolarHBondContact O-CB 3.2Å; S414-L418 PolarHBondContact O-N 2.88Å | ||
| 415 | A | 88.9 | Confident | 90.6 | Very high | 88 Ų | 88 | 54.3 Ų | 54.3 | 73% | 0.727 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -57.8 | -38 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | M419 | A415-M419 WeakPolarHBondContact O-CB 3.4Å; A415-M419 PolarHBondContact O-N 3.14Å |
| 416 | K | 89.4 | Confident | 90.8 | Very high | 128 Ų | 128 | 56.7 Ų | 56.7 | 56% | 0.557 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -67.7 | -49.8 | 179.2 | -174.8 | -175.6 | 176.6 | -168.7 | 0 | 111.6 | S414 M419 H420 | S414-K416 PolarHBondContact O-N 3.32Å; K416-M419 PolarHBondContact O-N 3.38Å; K416-H420 PolarHBondContact O-CD2 3.38Å; K416-H420 VanDerWaalsContact O-CD2 3.24Å; K416-H420 PolarHBondContact O-N 3.23Å; K416-H420 VanDerWaalsContact O-N 3.14Å |
| 417 | I | 89.9 | Confident | 91.1 | Very high | 6 Ų | 6 | 56.3 Ų | 56.3 | 3% | 0.031 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -62.2 | -47.2 | 178.7 | -68.7 | 172 | 0 | 0 | 0 | 110 | L187 N188 D189 F413 S414 M419 H420 V421 F473 | L187-I417 HydrophobicContact CB-CD1 4.24Å; L187-I417 HydrophobicContact CB-CG2 3.73Å; L187-I417 HydrophobicContact CD1-CG2 3.76Å; L187-I417 HydrophobicContact CG-CG2 4.39Å; N188-I417 VanDerWaalsContact C-CD1 3.42Å; D189-I417 WeakPolarHBondContact OD1-CD1 3.48Å; F413-I417 HydrophobicContact CB-CB 4.36Å; F413-I417 HydrophobicContact CB-CG2 4.11Å; F413-I417 HydrophobicContact CD1-CG2 3.73Å; F413-I417 HydrophobicContact CE1-CG2 4.32Å; F413-I417 HydrophobicContact CG-CG2 3.89Å; S414-I417 PolarHBondContact O-N 3.3Å; S414-I417 WeakPolarHBondContact OG-CG1 3.49Å; S414-I417 PolarHBondContact OG-N 3.17Å; S414-I417 VanDerWaalsContact OG-N 3.16Å; I417-M419 VanDerWaalsContact C-N 3.29Å; I417-M419 PolarHBondContact O-N 3.42Å; I417-H420 PolarHBondContact O-N 2.92Å; I417-V421 HydrophobicContact CG2-CG2 4.07Å; I417-V421 VanDerWaalsContact O-CG2 3.31Å; I417-V421 WeakPolarHBondContact O-CG2 3.47Å; I417-V421 PolarHBondContact O-N 3.41Å; I417-F473 HydrophobicContact CG1-CE2 4.3Å; I417-F473 HydrophobicContact CG2-CE2 4.48Å; I417-F473 HydrophobicContact CG2-CZ 4.32Å |
| 418 | L | 92.6 | Very high | 91.4 | Very high | 33 Ų | 33 | 51.8 Ų | 51.8 | 17% | 0.173 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -57 | -44.8 | 179.6 | -178.2 | 62.6 | 0 | 0 | 0 | 111.3 | L406 R410 F413 S414 Q422 | L406-L418 HydrophobicContact CD2-CD1 3.85Å; R410-L418 HydrophobicContact CG-CD1 4.18Å; F413-L418 HydrophobicContact CB-CB 4.09Å; F413-L418 HydrophobicContact CD2-CD1 4.25Å; S414-L418 VanDerWaalsContact O-CB 3.24Å; S414-L418 WeakPolarHBondContact O-CB 3.2Å; S414-L418 PolarHBondContact O-N 2.88Å; L418-Q422 HydrophobicContact CD1-CG 4.27Å; L418-Q422 WeakPolarHBondContact O-CB 3.46Å; L418-Q422 WeakPolarHBondContact O-CG 3.32Å; L418-Q422 PolarHBondContact O-N 2.8Å |
| 419 | M | 93 | Very high | 91.8 | Very high | 88 Ų | 88 | 48.1 Ų | 48.1 | 43% | 0.433 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -59.2 | -49.2 | 177 | -176.5 | -171.6 | 73.4 | 0 | 0 | 111.9 | A415 K416 I417 Q422 Q423 | A415-M419 WeakPolarHBondContact O-CB 3.4Å; A415-M419 PolarHBondContact O-N 3.14Å; K416-M419 PolarHBondContact O-N 3.38Å; I417-M419 VanDerWaalsContact C-N 3.29Å; I417-M419 PolarHBondContact O-N 3.42Å; M419-Q422 PolarHBondContact O-N 2.96Å; M419-Q423 WeakPolarHBondContact O-CG 3.04Å; M419-Q423 PolarHBondContact O-N 2.93Å |
| 420 | H | 93.7 | Very high | 92 | Very high | 11 Ų | 11 | 50.2 Ų | 50.2 | 5% | 0.051 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -68.3 | -38.9 | -178.7 | -68 | -46.5 | 0 | 0 | 0 | 113.1 | K416 I417 Q422 Q423 L424 V469 L470 F473 | K416-H420 PolarHBondContact O-CD2 3.38Å; K416-H420 VanDerWaalsContact O-CD2 3.24Å; K416-H420 PolarHBondContact O-N 3.23Å; K416-H420 VanDerWaalsContact O-N 3.14Å; I417-H420 PolarHBondContact O-N 2.92Å; H420-Q422 VanDerWaalsContact C-N 3.32Å; H420-Q422 PolarHBondContact O-N 2.87Å; H420-Q423 PolarHBondContact ND1-OE1 2.82Å; H420-Q423 VanDerWaalsContact ND1-OE1 3.1Å; H420-Q423 PolarHBondContact O-N 2.52Å; H420-L424 WeakPolarHBondContact O-CB 3.47Å; H420-L424 PolarHBondContact O-N 2.88Å; H420-V469 WeakPolarHBondContact CE1-CG1 3.48Å; H420-L470 HydrophobicContact CB-CD2 4.14Å; H420-L470 WeakPolarHBondContact O-CD2 3.38Å; H420-F473 HydrophobicContact CB-CB 4.47Å; H420-F473 HydrophobicContact CB-CD1 3.64Å; H420-F473 HydrophobicContact CB-CD2 3.75Å; H420-F473 HydrophobicContact CB-CE1 3.68Å; H420-F473 HydrophobicContact CB-CE2 3.79Å; H420-F473 HydrophobicContact CB-CG 3.67Å; H420-F473 HydrophobicContact CB-CZ 3.77Å; H420-F473 AromaticContact CD2-CD2 3.63Å; H420-F473 AromaticContact CG-CD2 3.93Å; H420-F473 AromaticContact CG-CG 3.96Å |
| 421 | V | 93.4 | Very high | 92.3 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -65.9 | -37.3 | 174.9 | -178.5 | 0 | 0 | 0 | 0 | 110.7 | L187 L402 L406 I417 L424 Q425 F473 | L187-V421 HydrophobicContact CD1-CG2 3.5Å; L402-V421 HydrophobicContact CD2-CG1 4.41Å; L406-V421 HydrophobicContact CD1-CG1 3.97Å; L406-V421 HydrophobicContact CD2-CB 4.09Å; L406-V421 HydrophobicContact CD2-CG1 3.56Å; L406-V421 HydrophobicContact CG-CG1 3.67Å; I417-V421 HydrophobicContact CG2-CG2 4.07Å; I417-V421 VanDerWaalsContact O-CG2 3.31Å; I417-V421 WeakPolarHBondContact O-CG2 3.47Å; I417-V421 PolarHBondContact O-N 3.41Å; V421-L424 PolarHBondContact O-N 2.99Å; V421-Q425 WeakPolarHBondContact O-CB 3.45Å; V421-Q425 PolarHBondContact O-N 3.11Å; V421-F473 HydrophobicContact CG2-CE1 4.06Å; V421-F473 HydrophobicContact CG2-CZ 3.79Å |
| 422 | Q | 94.2 | Very high | 92.6 | Very high | 74 Ų | 74 | 38.8 Ų | 38.8 | 35% | 0.346 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -67.7 | -39.2 | 174 | -75 | -179.5 | -46.6 | 0 | 0 | 112.7 | L406 R410 L418 M419 H420 Q425 S426 | L406-Q422 HydrophobicContact CD1-CG 4.48Å; R410-Q422 VanDerWaalsContact NH1-NE2 3.18Å; L418-Q422 HydrophobicContact CD1-CG 4.27Å; L418-Q422 WeakPolarHBondContact O-CB 3.46Å; L418-Q422 WeakPolarHBondContact O-CG 3.32Å; L418-Q422 PolarHBondContact O-N 2.8Å; M419-Q422 PolarHBondContact O-N 2.96Å; H420-Q422 VanDerWaalsContact C-N 3.32Å; H420-Q422 PolarHBondContact O-N 2.87Å; Q422-Q425 PolarHBondContact O-N 3.47Å; Q422-S426 WeakPolarHBondContact O-CB 3.39Å; Q422-S426 PolarHBondContact O-N 3.35Å |
| 423 | Q | 95 | Very high | 92.8 | Very high | 50 Ų | 50 | 39 Ų | 39 | 23% | 0.234 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -61.4 | -44.4 | 172.3 | -76.7 | 173.5 | -23.1 | 0 | 0 | 111.2 | M419 H420 S426 L427 I465 L470 | M419-Q423 WeakPolarHBondContact O-CG 3.04Å; M419-Q423 PolarHBondContact O-N 2.93Å; H420-Q423 PolarHBondContact ND1-OE1 2.82Å; H420-Q423 VanDerWaalsContact ND1-OE1 3.1Å; H420-Q423 PolarHBondContact O-N 2.52Å; Q423-S426 WeakPolarHBondContact O-CB 3.28Å; Q423-S426 PolarHBondContact O-N 3Å; Q423-L427 PolarHBondContact O-N 2.61Å; Q423-I465 HydrophobicContact CB-CG2 4.47Å; Q423-L470 HydrophobicContact CB-CD1 4.24Å; Q423-L470 HydrophobicContact CB-CD2 3.93Å |
| 424 | L | 96 | Very high | 92.8 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -62 | -45 | 175 | 179.6 | 64.4 | 0 | 0 | 0 | 111.8 | L402 H420 V421 S426 L427 V428 M474 L479 I505 I509 | L402-L424 HydrophobicContact CD1-CD2 4.34Å; L402-L424 HydrophobicContact CD1-CG 4.09Å; L402-L424 HydrophobicContact CD2-CD2 4.04Å; H420-L424 WeakPolarHBondContact O-CB 3.47Å; H420-L424 PolarHBondContact O-N 2.88Å; V421-L424 PolarHBondContact O-N 2.99Å; L424-S426 VanDerWaalsContact C-N 3.33Å; L424-S426 PolarHBondContact O-N 3.22Å; L424-L427 PolarHBondContact O-N 3.02Å; L424-V428 HydrophobicContact CD1-CG2 4.45Å; L424-V428 WeakPolarHBondContact O-CG2 3.4Å; L424-V428 PolarHBondContact O-N 3.36Å; L424-M474 HydrophobicContact CD1-SD 4.18Å; L424-M474 HydrophobicContact CD2-SD 4.48Å; L424-L479 HydrophobicContact CD2-CD2 3.28Å; L424-I505 HydrophobicContact CD1-CG2 3.96Å; L424-I509 HydrophobicContact CD1-CD1 3.57Å |
| 425 | Q | 94.7 | Very high | 92.8 | Very high | 43 Ų | 43 | 38.2 Ų | 38.2 | 20% | 0.201 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -58.2 | -47.2 | 174.7 | -174 | -167.5 | 0.7 | 0 | 0 | 110.7 | L402 C403 L406 V421 Q422 L427 V428 D429 | L402-Q425 HydrophobicContact CB-CG 4.42Å; C403-Q425 PolarHBondContact SG-NE2 3Å; L406-Q425 HydrophobicContact CD1-CB 4.15Å; L406-Q425 HydrophobicContact CD1-CG 4.36Å; V421-Q425 WeakPolarHBondContact O-CB 3.45Å; V421-Q425 PolarHBondContact O-N 3.11Å; Q422-Q425 PolarHBondContact O-N 3.47Å; Q425-L427 VanDerWaalsContact C-N 3.33Å; Q425-L427 PolarHBondContact O-N 2.94Å; Q425-V428 PolarHBondContact O-N 3.44Å; Q425-D429 VanDerWaalsContact O-CB 3.27Å; Q425-D429 WeakPolarHBondContact O-CB 3.35Å; Q425-D429 PolarHBondContact O-N 3.42Å |
| 426 | S | 95.4 | Very high | 92.6 | Very high | 51 Ų | 51 | 39.2 Ų | 39.2 | 36% | 0.357 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -59.1 | -43.3 | 177.5 | -171.3 | 0 | 0 | 0 | 0 | 111.8 | Q422 Q423 L424 D429 L430 | Q422-S426 WeakPolarHBondContact O-CB 3.39Å; Q422-S426 PolarHBondContact O-N 3.35Å; Q423-S426 WeakPolarHBondContact O-CB 3.28Å; Q423-S426 PolarHBondContact O-N 3Å; L424-S426 VanDerWaalsContact C-N 3.33Å; L424-S426 PolarHBondContact O-N 3.22Å; S426-D429 PolarHBondContact O-N 2.69Å; S426-L430 WeakPolarHBondContact O-CB 3.42Å; S426-L430 WeakPolarHBondContact O-CD1 3.17Å; S426-L430 WeakPolarHBondContact O-CG 3.45Å; S426-L430 PolarHBondContact O-N 2.84Å |
| 427 | L | 96.1 | Very high | 92 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -59.4 | -52.5 | 175.8 | -177.6 | 150.8 | 0 | 0 | 0 | 110.9 | Q423 L424 Q425 D429 L430 S431 I462 I465 L470 Y508 I509 L512 | Q423-L427 PolarHBondContact O-N 2.61Å; L424-L427 PolarHBondContact O-N 3.02Å; Q425-L427 VanDerWaalsContact C-N 3.33Å; Q425-L427 PolarHBondContact O-N 2.94Å; L427-D429 VanDerWaalsContact C-N 3.31Å; L427-D429 PolarHBondContact O-N 2.83Å; L427-L430 PolarHBondContact O-N 3.38Å; L427-S431 WeakPolarHBondContact O-CB 3.43Å; L427-S431 PolarHBondContact O-N 3.32Å; L427-S431 PolarHBondContact O-OG 3.39Å; L427-I462 HydrophobicContact CG-CG2 4.28Å; L427-I465 HydrophobicContact CB-CD1 3.81Å; L427-I465 HydrophobicContact CD1-CG2 4.34Å; L427-L470 HydrophobicContact CD1-CD1 4.34Å; L427-Y508 HydrophobicContact CD2-CD1 4.14Å; L427-Y508 HydrophobicContact CD2-CE1 3.72Å; L427-I509 HydrophobicContact CD1-CD1 4.48Å; L427-I509 HydrophobicContact CD1-CG1 4.13Å; L427-I509 HydrophobicContact CD2-CG1 4.38Å; L427-L512 HydrophobicContact CD1-CD1 4.45Å |
| 428 | V | 95.7 | Very high | 90.6 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61.9 | -40.1 | 179.2 | 173.5 | 0 | 0 | 0 | 0 | 111.1 | L395 A398 K399 L402 L424 Q425 T432 I505 | L395-V428 HydrophobicContact CD2-CG1 4.28Å; A398-V428 HydrophobicContact CB-CG1 3.97Å; K399-V428 HydrophobicContact CB-CG1 4.01Å; L402-V428 HydrophobicContact CD1-CB 4.17Å; L402-V428 HydrophobicContact CD1-CG2 3.84Å; L424-V428 HydrophobicContact CD1-CG2 4.45Å; L424-V428 WeakPolarHBondContact O-CG2 3.4Å; L424-V428 PolarHBondContact O-N 3.36Å; Q425-V428 PolarHBondContact O-N 3.44Å; V428-T432 VanDerWaalsContact O-CB 3.26Å; V428-T432 WeakPolarHBondContact O-CB 3.17Å; V428-T432 PolarHBondContact O-N 3.02Å; V428-T432 PolarHBondContact O-OG1 3.18Å; V428-I505 HydrophobicContact CG2-CD1 4Å; V428-I505 HydrophobicContact CG2-CG2 4.44Å |
| 429 | D | 94.7 | Very high | 88.7 | Confident | 25 Ų | 25 | 42.6 Ų | 42.6 | 13% | 0.134 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -63.3 | -46.4 | 178.1 | -91 | -38.3 | 0 | 0 | 0 | 112.2 | K399 Q425 S426 L427 T432 K433 | K399-D429 WeakPolarHBondContact CD-OD1 3.48Å; K399-D429 WeakPolarHBondContact CE-OD1 3.47Å; K399-D429 VanDerWaalsContact CG-OD1 3.29Å; K399-D429 WeakPolarHBondContact CG-OD1 3.47Å; K399-D429 IonicContact NZ-OD1 3.89Å; K399-D429 PolarHBondContact NZ-OD1 2.94Å; Q425-D429 VanDerWaalsContact O-CB 3.27Å; Q425-D429 WeakPolarHBondContact O-CB 3.35Å; Q425-D429 PolarHBondContact O-N 3.42Å; S426-D429 PolarHBondContact O-N 2.69Å; L427-D429 VanDerWaalsContact C-N 3.31Å; L427-D429 PolarHBondContact O-N 2.83Å; D429-T432 PolarHBondContact O-N 2.73Å; D429-K433 WeakPolarHBondContact O-CB 3.49Å; D429-K433 VanDerWaalsContact O-CG 3.24Å; D429-K433 WeakPolarHBondContact O-CG 3.45Å; D429-K433 PolarHBondContact O-N 3.12Å |
| 430 | L | 94.2 | Very high | 86.5 | Confident | 47 Ų | 47 | 47.7 Ų | 47.7 | 25% | 0.246 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -66.5 | -45.5 | 178.7 | -71.2 | 168.8 | 0 | 0 | 0 | 111.4 | S426 L427 T432 K433 C434 V460 G461 I462 | S426-L430 WeakPolarHBondContact O-CB 3.42Å; S426-L430 WeakPolarHBondContact O-CD1 3.17Å; S426-L430 WeakPolarHBondContact O-CG 3.45Å; S426-L430 PolarHBondContact O-N 2.84Å; L427-L430 PolarHBondContact O-N 3.38Å; L430-T432 VanDerWaalsContact C-N 3.32Å; L430-T432 PolarHBondContact O-N 3.14Å; L430-K433 PolarHBondContact O-N 2.94Å; L430-C434 WeakPolarHBondContact O-CB 3.42Å; L430-C434 PolarHBondContact O-N 3.45Å; L430-V460 HydrophobicContact CB-CG1 4.16Å; L430-G461 WeakPolarHBondContact CD1-O 3.49Å; L430-I462 HydrophobicContact CB-CG2 4.17Å; L430-I462 HydrophobicContact CD1-CG2 3.9Å |
| 431 | S | 93.9 | Very high | 84.2 | Confident | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -60.9 | -40.7 | 174.6 | -57.3 | 0 | 0 | 0 | 0 | 112 | L427 C434 L435 Y508 | L427-S431 WeakPolarHBondContact O-CB 3.43Å; L427-S431 PolarHBondContact O-N 3.32Å; L427-S431 PolarHBondContact O-OG 3.39Å; S431-C434 WeakPolarHBondContact O-CB 3.28Å; S431-C434 PolarHBondContact O-N 3.49Å; S431-L435 PolarHBondContact O-N 3.04Å; S431-L435 VanDerWaalsContact O-N 3.16Å; S431-Y508 WeakPolarHBondContact OG-CE1 3.37Å; S431-Y508 PolarHBondContact OG-OH 3.3Å; S431-Y508 VanDerWaalsContact OG-OH 3.04Å |
| 432 | T | 92.6 | Very high | 81.9 | Confident | 3 Ų | 3 | 58.5 Ų | 58.5 | 2% | 0.018 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -64.9 | -46.9 | 176.6 | -55.5 | 0 | 0 | 0 | 0 | 111 | K399 V428 D429 L430 C434 L435 L436 | K399-T432 HydrophobicContact CD-CG2 4.49Å; V428-T432 VanDerWaalsContact O-CB 3.26Å; V428-T432 WeakPolarHBondContact O-CB 3.17Å; V428-T432 PolarHBondContact O-N 3.02Å; V428-T432 PolarHBondContact O-OG1 3.18Å; D429-T432 PolarHBondContact O-N 2.73Å; L430-T432 VanDerWaalsContact C-N 3.32Å; L430-T432 PolarHBondContact O-N 3.14Å; T432-C434 VanDerWaalsContact C-N 3.31Å; T432-C434 PolarHBondContact O-N 3.28Å; T432-L435 PolarHBondContact O-N 3.06Å; T432-L436 HydrophobicContact CG2-CD1 3.75Å; T432-L436 HydrophobicContact CG2-CG 4.2Å; T432-L436 WeakPolarHBondContact O-CB 3.37Å; T432-L436 WeakPolarHBondContact O-CG 3.1Å; T432-L436 PolarHBondContact O-N 2.96Å |
| 433 | K | 90.8 | Very high | 79.8 | Confident | 127 Ų | 127 | 58 Ų | 58 | 55% | 0.552 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -59.7 | -41.8 | 176.1 | -75.6 | 172.3 | -175.8 | 177.2 | 0 | 111.6 | D429 L430 L435 L436 S437 | D429-K433 WeakPolarHBondContact O-CB 3.49Å; D429-K433 VanDerWaalsContact O-CG 3.24Å; D429-K433 WeakPolarHBondContact O-CG 3.45Å; D429-K433 PolarHBondContact O-N 3.12Å; L430-K433 PolarHBondContact O-N 2.94Å; K433-L435 VanDerWaalsContact C-N 3.3Å; K433-L435 PolarHBondContact O-N 3.33Å; K433-L436 PolarHBondContact O-N 3.38Å; K433-S437 VanDerWaalsContact O-CB 3.25Å; K433-S437 WeakPolarHBondContact O-CB 3.42Å; K433-S437 PolarHBondContact O-N 2.76Å |
| 434 | C | 87.7 | Confident | 77.5 | Confident | 25 Ų | 25 | 59.1 Ų | 59.1 | 17% | 0.169 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -58.1 | -41.1 | 176.5 | -177.4 | 0 | 0 | 0 | 0 | 111.9 | L430 S431 T432 H459 V460 | L430-C434 WeakPolarHBondContact O-CB 3.42Å; L430-C434 PolarHBondContact O-N 3.45Å; S431-C434 WeakPolarHBondContact O-CB 3.28Å; S431-C434 PolarHBondContact O-N 3.49Å; T432-C434 VanDerWaalsContact C-N 3.31Å; T432-C434 PolarHBondContact O-N 3.28Å; C434-H459 VanDerWaalsContact SG-CD2 3.53Å; C434-V460 HydrophobicContact CB-CG2 4.5Å |
| 435 | L | 87.3 | Confident | 75.4 | Confident | 3 Ų | 3 | 68.9 Ų | 68.9 | 2% | 0.016 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -77.9 | -36.2 | 178.1 | -67.5 | -178.3 | 0 | 0 | 0 | 113.6 | L395 S431 T432 K433 I523 K533 I535 | L395-L435 HydrophobicContact CD1-CD1 3.47Å; L395-L435 VanDerWaalsContact CD1-CD1 3.47Å; S431-L435 PolarHBondContact O-N 3.04Å; S431-L435 VanDerWaalsContact O-N 3.16Å; T432-L435 PolarHBondContact O-N 3.06Å; K433-L435 VanDerWaalsContact C-N 3.3Å; K433-L435 PolarHBondContact O-N 3.33Å; L435-I523 HydrophobicContact CD2-CG2 3.75Å; L435-K533 HydrophobicContact CB-CB 4.33Å; L435-K533 HydrophobicContact CD2-CB 3.9Å; L435-K533 WeakPolarHBondContact O-CD 3.34Å; L435-K533 WeakPolarHBondContact O-CE 3.36Å; L435-K533 PolarHBondContact O-NZ 3.11Å; L435-I535 HydrophobicContact CD1-CD1 3.93Å; L435-I535 HydrophobicContact CD1-CG1 3.87Å; L435-I535 HydrophobicContact CD2-CD1 4.2Å; L435-I535 HydrophobicContact CD2-CG1 3.71Å; L435-I535 HydrophobicContact CG-CD1 4.06Å; L435-I535 HydrophobicContact CG-CG1 4.05Å |
| 436 | L | 83.8 | Confident | 73.8 | Confident | 109 Ų | 109 | 70.5 Ų | 70.5 | 57% | 0.571 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -78.3 | -25.6 | -179.8 | -66.1 | -179.1 | 0 | 0 | 0 | 112.9 | T432 K433 D438 | T432-L436 HydrophobicContact CG2-CD1 3.75Å; T432-L436 HydrophobicContact CG2-CG 4.2Å; T432-L436 WeakPolarHBondContact O-CB 3.37Å; T432-L436 WeakPolarHBondContact O-CG 3.1Å; T432-L436 PolarHBondContact O-N 2.96Å; K433-L436 PolarHBondContact O-N 3.38Å; L436-D438 PolarHBondContact O-N 2.94Å |
| 437 | S | 76.5 | Confident | 72.9 | Confident | 70 Ų | 70 | 71.1 Ų | 71.1 | 49% | 0.49 | 40% | 0.397 | S | S | . | . | trans | -62.8 | 121.7 | 173.5 | -177.2 | 0 | 0 | 0 | 0 | 109.9 | K433 G439 K533 | K433-S437 VanDerWaalsContact O-CB 3.25Å; K433-S437 WeakPolarHBondContact O-CB 3.42Å; K433-S437 PolarHBondContact O-N 2.76Å; S437-G439 PolarHBondContact O-N 3.38Å; S437-G439 PolarHBondContact OG-N 3.47Å; S437-K533 PolarHBondContact O-NZ 2.83Å | ||
| 438 | D | 62.2 | Low | 72.3 | Confident | 131 Ų | 131 | 72.2 Ų | 72.2 | 70% | 0.701 | 40% | 0.404 | S | S | * | . | trans | -82.1 | 25.8 | 170.5 | -82.8 | -21 | 0 | 0 | 0 | 112.3 | L436 E440 K533 | L436-D438 PolarHBondContact O-N 2.94Å; D438-E440 PolarHBondContact O-N 3.22Å; D438-K533 IonicContact OD1-NZ 3.47Å; D438-K533 PolarHBondContact OD1-NZ 2.85Å | ||
| 439 | G | 53 | Low | 71.8 | Confident | 37 Ų | 37 | 75.4 Ų | 75.4 | 38% | 0.381 | 42% | 0.416 | S | S | . | . | trans | -29.5 | 126.2 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | S437 L441 | S437-G439 PolarHBondContact O-N 3.38Å; S437-G439 PolarHBondContact OG-N 3.47Å; G439-L441 PolarHBondContact O-N 2.91Å | ||
| 440 | E | 45.1 | Very low | 71.5 | Confident | 196 Ų | 196 | 76.1 Ų | 76.1 | 92% | 0.916 | 42% | 0.423 | S | S | * | . | S | Bend | trans | -54.2 | 7.1 | -161 | -61.5 | 178.1 | 149.8 | 0 | 0 | 119.3 | D438 P442 | D438-E440 PolarHBondContact O-N 3.22Å; E440-P442 WeakPolarHBondContact O-CD 3.48Å |
| 441 | L | 46.7 | Very low | 71.4 | Confident | 132 Ų | 132 | 75.2 Ų | 75.2 | 69% | 0.691 | 42% | 0.416 | S | S | * | . | S | Bend | trans | -86.7 | 115.1 | 172.9 | -74 | 160.5 | 0 | 0 | 0 | 107.7 | G439 F443 R449 | G439-L441 PolarHBondContact O-N 2.91Å; L441-F443 PolarHBondContact O-N 3.21Å; L441-R449 PolarHBondContact O-NH2 3.12Å |
| 442 | P | 44.9 | Very low | 71.3 | Confident | 105 Ų | 105 | 75.9 Ų | 75.9 | 68% | 0.682 | 42% | 0.424 | S | S | * | . | trans | -52.3 | 135.1 | 177.4 | 19.5 | -28.9 | 0 | 0 | 0 | 108.1 | E440 A444 | E440-P442 WeakPolarHBondContact O-CD 3.48Å; P442-A444 PolarHBondContact O-N 2.74Å | ||
| 443 | F | 48.7 | Very low | 71.2 | Confident | 63 Ų | 63 | 76 Ų | 76 | 28% | 0.276 | 42% | 0.424 | S | S | . | . | trans | -57.1 | 90.3 | 156.7 | -86.8 | -80.9 | 0 | 0 | 0 | 105.3 | L441 Q445 T446 S447 R449 K525 | L441-F443 PolarHBondContact O-N 3.21Å; F443-Q445 PolarHBondContact O-N 2.92Å; F443-T446 WeakPolarHBondContact CB-O 3.49Å; F443-T446 WeakPolarHBondContact CD1-O 3.39Å; F443-S447 VanDerWaalsContact CE1-O 3.28Å; F443-S447 WeakPolarHBondContact CE1-O 3.49Å; F443-R449 HydrophobicContact CE1-CG 4Å; F443-K525 HydrophobicContact CD2-CD 3.98Å; F443-K525 HydrophobicContact CE1-CB 4.32Å; F443-K525 HydrophobicContact CE2-CB 4.12Å; F443-K525 HydrophobicContact CE2-CD 3.49Å; F443-K525 VanDerWaalsContact CE2-CD 3.49Å; F443-K525 HydrophobicContact CE2-CG 4.43Å; F443-K525 HydrophobicContact CZ-CB 3.69Å; F443-K525 HydrophobicContact CZ-CD 3.99Å; F443-K525 HydrophobicContact CZ-CG 4.48Å | ||
| 444 | A | 46.9 | Very low | 71.3 | Confident | 75 Ų | 75 | 73 Ų | 73 | 62% | 0.62 | 42% | 0.419 | S | S | * | . | trans | -69.9 | 92.3 | 177 | 0 | 0 | 0 | 0 | 0 | 105.1 | P442 T446 | P442-A444 PolarHBondContact O-N 2.74Å; A444-T446 PolarHBondContact O-N 3.31Å | ||
| 445 | Q | 52.4 | Low | 71.5 | Confident | 205 Ų | 205 | 77 Ų | 77 | 96% | 0.958 | 44% | 0.439 | S | S | * | . | S | Bend | trans | 68.7 | -21.4 | 171 | -58.8 | 174.6 | -16.1 | 0 | 0 | 118.3 | F443 | F443-Q445 PolarHBondContact O-N 2.92Š|
| 446 | T | 61.6 | Low | 71.8 | Confident | 76 Ų | 76 | 76.9 Ų | 76.9 | 47% | 0.466 | 44% | 0.438 | S | S | . | . | trans | -105.9 | 151.2 | 178.1 | 56.9 | 0 | 0 | 0 | 0 | 112.6 | F443 A444 V448 | F443-T446 WeakPolarHBondContact CB-O 3.49Å; F443-T446 WeakPolarHBondContact CD1-O 3.39Å; A444-T446 PolarHBondContact O-N 3.31Å; T446-V448 PolarHBondContact OG1-O 3.12Å | ||
| 447 | S | 75.5 | Confident | 72.3 | Confident | 65 Ų | 65 | 73.6 Ų | 73.6 | 46% | 0.455 | 42% | 0.421 | S | S | . | . | S | Bend | trans | -88.2 | -6.8 | 175.6 | 58.2 | 0 | 0 | 0 | 0 | 113.9 | F443 K525 | F443-S447 VanDerWaalsContact CE1-O 3.28Å; F443-S447 WeakPolarHBondContact CE1-O 3.49Å; S447-K525 WeakPolarHBondContact O-CB 3.42Å; S447-K525 PolarHBondContact O-N 2.9Å |
| 448 | V | 83.5 | Confident | 73.1 | Confident | 23 Ų | 23 | 72.6 Ų | 72.6 | 14% | 0.139 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 139.8 | -171.4 | -174.2 | 0 | 0 | 0 | 0 | 110.1 | T446 L522 I523 D524 L739 | T446-V448 PolarHBondContact OG1-O 3.12Å; V448-L522 HydrophobicContact CG1-CB 4.15Å; V448-L522 HydrophobicContact CG1-CD2 4.47Å; V448-I523 CarbonylContact C-O 3.57Å; V448-I523 WeakPolarHBondContact CA-O 3.4Å; V448-D524 HydrophobicContact CG1-CB 4.35Å; V448-D524 HydrophobicContact CG2-CB 4.04Å; V448-D524 WeakPolarHBondContact CG2-OD1 3.32Å; V448-L739 HydrophobicContact CB-CD1 3.57Å; V448-L739 HydrophobicContact CG1-CD1 4.08Å; V448-L739 VanDerWaalsContact O-CD1 3.29Å; V448-L739 WeakPolarHBondContact O-CD1 3.35Å |
| 449 | R | 85.4 | Confident | 74.5 | Confident | 66 Ų | 66 | 70.5 Ų | 70.5 | 25% | 0.249 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 141.2 | 171.9 | -66.5 | -175.8 | 179.5 | 177.5 | 0.4 | 110.4 | L441 F443 F451 L522 I523 | L441-R449 PolarHBondContact O-NH2 3.12Å; F443-R449 HydrophobicContact CE1-CG 4Å; R449-F451 HydrophobicContact CB-CE2 3.69Å; R449-F451 HydrophobicContact CB-CZ 4.07Å; R449-L522 CarbonylContact O-C 3.56Å; R449-L522 VanDerWaalsContact O-CA 3.25Å; R449-L522 WeakPolarHBondContact O-CA 3.49Å; R449-I523 PolarHBondContact N-O 3.43Å; R449-I523 PolarHBondContact O-N 3.27Å |
| 450 | C | 89.6 | Confident | 76.3 | Confident | 41 Ų | 41 | 69.1 Ų | 69.1 | 28% | 0.277 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 142.9 | 176.1 | -174.9 | 0 | 0 | 0 | 0 | 110.9 | F521 L522 E743 | C450-F521 CarbonylContact C-O 3.43Å; C450-F521 WeakPolarHBondContact CA-O 3.19Å; C450-L522 HydrophobicContact CB-CD2 3.53Å; C450-L522 VanDerWaalsContact SG-CD2 3.58Å; C450-E743 HydrophobicContact CB-CG 4.39Å; C450-E743 VanDerWaalsContact SG-CG 3.58Å; C450-E743 PolarHBondContact SG-OE2 2.99Å |
| 451 | F | 91.6 | Very high | 78.6 | Confident | 27 Ų | 27 | 61.7 Ų | 61.7 | 12% | 0.118 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 138.5 | 178.9 | -58.7 | -92.6 | 0 | 0 | 0 | 110.3 | R449 F456 H459 R520 F521 I523 | R449-F451 HydrophobicContact CB-CE2 3.69Å; R449-F451 HydrophobicContact CB-CZ 4.07Å; F451-F456 HydrophobicContact CB-CB 3.66Å; F451-F456 HydrophobicContact CB-CD2 4.15Å; F451-F456 HydrophobicContact CB-CG 4.39Å; F451-F456 HydrophobicContact CD2-CD2 4.16Å; F451-F456 HydrophobicContact CG-CB 4.39Å; F451-F456 HydrophobicContact CG-CD2 4.21Å; F451-H459 HydrophobicContact CD1-CB 4.2Å; F451-H459 HydrophobicContact CE1-CB 3.99Å; F451-H459 AromaticContact CE1-CD2 3.67Å; F451-H459 AromaticContact CE1-CG 3.55Å; F451-H459 AromaticContact CE1-ND1 3.82Å; F451-H459 AromaticContact CE1-NE2 3.99Å; F451-H459 AromaticContact CZ-CD2 3.58Å; F451-H459 AromaticContact CZ-CG 3.96Å; F451-H459 AromaticContact CZ-NE2 3.64Å; F451-R520 WeakPolarHBondContact O-CD 3.45Å; F451-F521 HydrophobicContact CB-CB 4.42Å; F451-F521 PolarHBondContact N-O 3.44Å; F451-F521 PolarHBondContact O-N 3.45Å; F451-I523 HydrophobicContact CD2-CD1 4.37Å; F451-I523 HydrophobicContact CD2-CG1 4.31Å; F451-I523 HydrophobicContact CE2-CB 4.24Å; F451-I523 HydrophobicContact CE2-CD1 3.6Å; F451-I523 HydrophobicContact CE2-CG1 3.79Å; F451-I523 HydrophobicContact CZ-CD1 4.14Å |
| 452 | G | 91.9 | Very high | 80.7 | Confident | 15 Ų | 15 | 55.5 Ų | 55.5 | 16% | 0.155 | 33% | 0.331 | C | S | . | . | trans | -63.3 | 164.4 | 159.9 | 0 | 0 | 0 | 0 | 0 | 111 | S454 D455 F456 | G452-S454 PolarHBondContact O-N 3.39Å; G452-D455 PolarHBondContact O-N 2.87Å; G452-F456 WeakPolarHBondContact O-CB 3.44Å; G452-F456 PolarHBondContact O-N 3.27Å | ||
| 453 | M | 91 | Very high | 83 | Confident | 5 Ų | 5 | 57.4 Ų | 57.4 | 3% | 0.025 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -55.5 | -52.6 | 179.7 | -177 | 64.8 | 69.5 | 0 | 0 | 112 | F456 I457 C511 L512 N514 V516 F521 F537 | M453-F456 PolarHBondContact O-N 2.71Å; M453-I457 HydrophobicContact CG-CD1 4.01Å; M453-I457 VanDerWaalsContact O-CG1 3.26Å; M453-I457 WeakPolarHBondContact O-CG1 3.39Å; M453-I457 PolarHBondContact O-N 3.1Å; M453-I457 HydrophobicContact SD-CD1 4.14Å; M453-C511 VanDerWaalsContact CE-O 3.28Å; M453-C511 WeakPolarHBondContact CE-O 3.45Å; M453-L512 HydrophobicContact SD-CD2 4.1Å; M453-N514 HydrophobicContact CE-CB 4.14Å; M453-V516 HydrophobicContact CB-CB 4.32Å; M453-V516 HydrophobicContact CB-CG1 4.2Å; M453-V516 HydrophobicContact CB-CG2 4.41Å; M453-V516 HydrophobicContact CG-CG2 4.42Å; M453-F521 HydrophobicContact CE-CE2 3.75Å; M453-F521 HydrophobicContact SD-CD2 4.32Å; M453-F521 HydrophobicContact SD-CE2 3.56Å; M453-F521 VanDerWaalsContact SD-CE2 3.56Å; M453-F521 HydrophobicContact SD-CZ 4.48Å; M453-F537 HydrophobicContact CE-CE2 3.97Å |
| 454 | S | 91.4 | Very high | 85 | Confident | 65 Ų | 65 | 59.1 Ų | 59.1 | 46% | 0.455 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -64.2 | -45.2 | -179.1 | -56.3 | 0 | 0 | 0 | 0 | 112 | G452 F456 I457 A458 | G452-S454 PolarHBondContact O-N 3.39Å; S454-F456 VanDerWaalsContact C-N 3.29Å; S454-F456 PolarHBondContact O-N 2.94Å; S454-I457 PolarHBondContact O-N 3.38Å; S454-A458 WeakPolarHBondContact O-CB 3.34Å; S454-A458 PolarHBondContact O-N 3.34Å |
| 455 | D | 92.5 | Very high | 87.2 | Confident | 108 Ų | 108 | 56.6 Ų | 56.6 | 58% | 0.578 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -63.8 | -37.1 | 178.9 | -56.5 | -39.2 | 0 | 0 | 0 | 111.6 | G452 H459 | G452-D455 PolarHBondContact O-N 2.87Å; D455-H459 WeakPolarHBondContact O-CB 3.47Å; D455-H459 PolarHBondContact O-N 3.45Å |
| 456 | F | 93.9 | Very high | 89.2 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -67.1 | -46.4 | 176.6 | -178.6 | -101.5 | 0 | 0 | 0 | 111.7 | F451 G452 M453 S454 A458 H459 V460 Y508 L512 F521 I523 I535 | F451-F456 HydrophobicContact CB-CB 3.66Å; F451-F456 HydrophobicContact CB-CD2 4.15Å; F451-F456 HydrophobicContact CB-CG 4.39Å; F451-F456 HydrophobicContact CD2-CD2 4.16Å; F451-F456 HydrophobicContact CG-CB 4.39Å; F451-F456 HydrophobicContact CG-CD2 4.21Å; G452-F456 WeakPolarHBondContact O-CB 3.44Å; G452-F456 PolarHBondContact O-N 3.27Å; M453-F456 PolarHBondContact O-N 2.71Å; S454-F456 VanDerWaalsContact C-N 3.29Å; S454-F456 PolarHBondContact O-N 2.94Å; F456-A458 VanDerWaalsContact C-N 3.28Å; F456-A458 PolarHBondContact O-N 3.43Å; F456-H459 PolarHBondContact O-N 2.82Å; F456-V460 HydrophobicContact CD1-CG2 4.32Å; F456-V460 HydrophobicContact CD2-CG2 4.2Å; F456-V460 HydrophobicContact CE1-CG2 3.87Å; F456-V460 HydrophobicContact CE2-CG2 3.76Å; F456-V460 HydrophobicContact CG-CG2 4.47Å; F456-V460 HydrophobicContact CZ-CG2 3.59Å; F456-V460 WeakPolarHBondContact O-CG2 3.49Å; F456-V460 PolarHBondContact O-N 3.35Å; F456-Y508 AromaticContact CE1-CE2 3.75Å; F456-Y508 HydrophobicContact CE1-CE2 3.75Å; F456-Y508 WeakPolarHBondContact CE1-OH 3.32Å; F456-Y508 HydrophobicContact CZ-CE2 4.08Å; F456-L512 HydrophobicContact CD1-CD2 4Å; F456-L512 HydrophobicContact CE1-CD2 4.05Å; F456-F521 HydrophobicContact CB-CB 3.97Å; F456-F521 HydrophobicContact CB-CD2 4Å; F456-F521 HydrophobicContact CB-CG 4.13Å; F456-F521 HydrophobicContact CD1-CB 4.06Å; F456-F521 AromaticContact CD1-CD1 3.8Å; F456-F521 HydrophobicContact CD1-CD1 3.8Å; F456-F521 AromaticContact CD1-CD2 3.63Å; F456-F521 HydrophobicContact CD1-CD2 3.63Å; F456-F521 HydrophobicContact CD1-CE1 4.12Å; F456-F521 AromaticContact CD1-CE2 3.99Å; F456-F521 HydrophobicContact CD1-CE2 3.99Å; F456-F521 AromaticContact CD1-CG 3.54Å; F456-F521 HydrophobicContact CD1-CG 3.54Å; F456-F521 HydrophobicContact CD1-CZ 4.23Å; F456-F521 HydrophobicContact CD2-CB 3.38Å; F456-F521 HydrophobicContact CD2-CD1 4.24Å; F456-F521 HydrophobicContact CD2-CD2 4.48Å; F456-F521 AromaticContact CD2-CG 3.8Å; F456-F521 HydrophobicContact CD2-CG 3.8Å; F456-F521 HydrophobicContact CE1-CB 4.44Å; F456-F521 AromaticContact CE1-CD1 3.55Å; F456-F521 HydrophobicContact CE1-CD1 3.55Å; F456-F521 HydrophobicContact CE1-CD2 4.23Å; F456-F521 AromaticContact CE1-CE1 3.74Å; F456-F521 HydrophobicContact CE1-CE1 3.74Å; F456-F521 HydrophobicContact CE1-CE2 4.41Å; F456-F521 AromaticContact CE1-CG 3.81Å; F456-F521 HydrophobicContact CE1-CG 3.81Å; F456-F521 HydrophobicContact CE1-CZ 4.19Å; F456-F521 HydrophobicContact CE2-CB 3.81Å; F456-F521 AromaticContact CE2-CD1 4Å; F456-F521 HydrophobicContact CE2-CD1 4Å; F456-F521 HydrophobicContact CE2-CG 4.04Å; F456-F521 HydrophobicContact CG-CB 3.51Å; F456-F521 HydrophobicContact CG-CD1 4.13Å; F456-F521 AromaticContact CG-CD2 3.77Å; F456-F521 HydrophobicContact CG-CD2 3.77Å; F456-F521 AromaticContact CG-CG 3.52Å; F456-F521 HydrophobicContact CG-CG 3.52Å; F456-F521 HydrophobicContact CZ-CB 4.31Å; F456-F521 AromaticContact CZ-CD1 3.64Å; F456-F521 HydrophobicContact CZ-CD1 3.64Å; F456-F521 HydrophobicContact CZ-CE1 4.16Å; F456-F521 HydrophobicContact CZ-CG 4.04Å; F456-I523 HydrophobicContact CE2-CD1 4.36Å; F456-I523 HydrophobicContact CE2-CG1 4.43Å; F456-I535 HydrophobicContact CE2-CG2 4.18Å; F456-I535 HydrophobicContact CZ-CD1 4.3Å; F456-I535 HydrophobicContact CZ-CG2 3.83Å |
| 457 | I | 93.5 | Very high | 90.7 | Very high | 41 Ų | 41 | 47.7 Ų | 47.7 | 21% | 0.21 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -58.1 | -44.2 | 177.2 | -71.1 | 169.1 | 0 | 0 | 0 | 110.2 | M453 S454 G461 I462 E463 L512 | M453-I457 HydrophobicContact CG-CD1 4.01Å; M453-I457 VanDerWaalsContact O-CG1 3.26Å; M453-I457 WeakPolarHBondContact O-CG1 3.39Å; M453-I457 PolarHBondContact O-N 3.1Å; M453-I457 HydrophobicContact SD-CD1 4.14Å; S454-I457 PolarHBondContact O-N 3.38Å; I457-G461 PolarHBondContact O-N 2.97Å; I457-I462 HydrophobicContact CB-CG1 4.34Å; I457-I462 HydrophobicContact CG1-CD1 4.48Å; I457-I462 HydrophobicContact CG1-CG1 4.45Å; I457-I462 HydrophobicContact CG2-CG1 4.06Å; I457-I462 PolarHBondContact O-N 3.32Å; I457-E463 HydrophobicContact CG2-CB 4.34Å; I457-E463 HydrophobicContact CG2-CG 3.76Å; I457-L512 HydrophobicContact CG1-CD2 4.08Å |
| 458 | A | 93 | Very high | 91.6 | Very high | 49 Ų | 49 | 50.5 Ų | 50.5 | 41% | 0.405 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -67 | -43 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | S454 F456 V460 G461 E463 | S454-A458 WeakPolarHBondContact O-CB 3.34Å; S454-A458 PolarHBondContact O-N 3.34Å; F456-A458 VanDerWaalsContact C-N 3.28Å; F456-A458 PolarHBondContact O-N 3.43Å; A458-V460 PolarHBondContact O-N 3.38Å; A458-G461 PolarHBondContact O-N 2.86Å; A458-G461 VanDerWaalsContact O-N 3.13Å; A458-E463 WeakPolarHBondContact CB-OE1 3.42Å |
| 459 | H | 91.6 | Very high | 92.1 | Very high | 87 Ų | 87 | 52.2 Ų | 52.2 | 40% | 0.403 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -62.3 | -40.7 | 179.8 | -174.2 | 69.9 | 0 | 0 | 0 | 112.6 | C434 F451 D455 F456 | C434-H459 VanDerWaalsContact SG-CD2 3.53Å; F451-H459 HydrophobicContact CD1-CB 4.2Å; F451-H459 HydrophobicContact CE1-CB 3.99Å; F451-H459 AromaticContact CE1-CD2 3.67Å; F451-H459 AromaticContact CE1-CG 3.55Å; F451-H459 AromaticContact CE1-ND1 3.82Å; F451-H459 AromaticContact CE1-NE2 3.99Å; F451-H459 AromaticContact CZ-CD2 3.58Å; F451-H459 AromaticContact CZ-CG 3.96Å; F451-H459 AromaticContact CZ-NE2 3.64Å; D455-H459 WeakPolarHBondContact O-CB 3.47Å; D455-H459 PolarHBondContact O-N 3.45Å; F456-H459 PolarHBondContact O-N 2.82Å |
| 460 | V | 92.3 | Very high | 92.5 | Very high | 8 Ų | 8 | 49 Ų | 49 | 5% | 0.048 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -77.6 | -27.9 | 174.9 | -177.6 | 0 | 0 | 0 | 0 | 111.2 | L430 C434 F456 A458 I462 | L430-V460 HydrophobicContact CB-CG1 4.16Å; C434-V460 HydrophobicContact CB-CG2 4.5Å; F456-V460 HydrophobicContact CD1-CG2 4.32Å; F456-V460 HydrophobicContact CD2-CG2 4.2Å; F456-V460 HydrophobicContact CE1-CG2 3.87Å; F456-V460 HydrophobicContact CE2-CG2 3.76Å; F456-V460 HydrophobicContact CG-CG2 4.47Å; F456-V460 HydrophobicContact CZ-CG2 3.59Å; F456-V460 WeakPolarHBondContact O-CG2 3.49Å; F456-V460 PolarHBondContact O-N 3.35Å; A458-V460 PolarHBondContact O-N 3.38Å; V460-I462 HydrophobicContact CB-CG1 4.24Å; V460-I462 HydrophobicContact CG1-CG1 4.36Å; V460-I462 HydrophobicContact CG1-CG2 3.81Å |
| 461 | G | 91.8 | Very high | 92.6 | Very high | 40 Ų | 40 | 47.3 Ų | 47.3 | 41% | 0.412 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.2 | 31 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | L430 I457 A458 | L430-G461 WeakPolarHBondContact CD1-O 3.49Å; I457-G461 PolarHBondContact O-N 2.97Å; A458-G461 PolarHBondContact O-N 2.86Å; A458-G461 VanDerWaalsContact O-N 3.13Å |
| 462 | I | 92.4 | Very high | 92.7 | Very high | 2 Ų | 2 | 50.4 Ų | 50.4 | 1% | 0.01 | 30% | 0.298 | C | S | . | . | trans | -101.2 | 17.8 | -176.5 | 55.2 | 170.7 | 0 | 0 | 0 | 113.6 | L427 L430 I457 V460 A464 I465 L512 | L427-I462 HydrophobicContact CG-CG2 4.28Å; L430-I462 HydrophobicContact CB-CG2 4.17Å; L430-I462 HydrophobicContact CD1-CG2 3.9Å; I457-I462 HydrophobicContact CB-CG1 4.34Å; I457-I462 HydrophobicContact CG1-CD1 4.48Å; I457-I462 HydrophobicContact CG1-CG1 4.45Å; I457-I462 HydrophobicContact CG2-CG1 4.06Å; I457-I462 PolarHBondContact O-N 3.32Å; V460-I462 HydrophobicContact CB-CG1 4.24Å; V460-I462 HydrophobicContact CG1-CG1 4.36Å; V460-I462 HydrophobicContact CG1-CG2 3.81Å; I462-A464 PolarHBondContact O-N 2.9Å; I462-I465 HydrophobicContact CB-CD1 4.31Å; I462-I465 HydrophobicContact CG2-CD1 4.09Å; I462-I465 PolarHBondContact O-N 3.38Å; I462-L512 HydrophobicContact CD1-CD1 3.69Å; I462-L512 HydrophobicContact CD1-CD2 4.23Å | ||
| 463 | E | 92.4 | Very high | 92.7 | Very high | 145 Ų | 145 | 50.2 Ų | 50.2 | 68% | 0.678 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | -34.1 | -179 | -64.4 | 179.4 | 149.8 | 0 | 0 | 113.8 | I457 A458 I465 | I457-E463 HydrophobicContact CG2-CB 4.34Å; I457-E463 HydrophobicContact CG2-CG 3.76Å; A458-E463 WeakPolarHBondContact CB-OE1 3.42Å; E463-I465 PolarHBondContact O-N 2.62Å |
| 464 | A | 91.4 | Very high | 92.7 | Very high | 99 Ų | 99 | 50.1 Ų | 50.1 | 82% | 0.818 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.8 | -5.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | I462 | I462-A464 PolarHBondContact O-N 2.9Š|
| 465 | I | 93.4 | Very high | 92.6 | Very high | 22 Ų | 22 | 50.4 Ų | 50.4 | 11% | 0.113 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -104 | 120.4 | -172.4 | -56.6 | -179.6 | 0 | 0 | 0 | 109.9 | Q423 L427 I462 E463 C467 L470 | Q423-I465 HydrophobicContact CB-CG2 4.47Å; L427-I465 HydrophobicContact CB-CD1 3.81Å; L427-I465 HydrophobicContact CD1-CG2 4.34Å; I462-I465 HydrophobicContact CB-CD1 4.31Å; I462-I465 HydrophobicContact CG2-CD1 4.09Å; I462-I465 PolarHBondContact O-N 3.38Å; E463-I465 PolarHBondContact O-N 2.62Å; I465-C467 PolarHBondContact O-N 3.43Å; I465-C467 VanDerWaalsContact O-N 3.13Å; I465-L470 HydrophobicContact CG2-CD1 3.29Å; I465-L470 HydrophobicContact CG2-CG 4.21Å |
| 466 | N | 94.1 | Very high | 92.2 | Very high | 81 Ų | 81 | 50 Ų | 50 | 43% | 0.433 | 28% | 0.283 | S | S | . | . | trans | -79.4 | 96.6 | 174.4 | -172 | -28 | 0 | 0 | 0 | 111 | F468 V469 L470 | N466-F468 VanDerWaalsContact C-N 3.3Å; N466-F468 PolarHBondContact O-N 3.16Å; N466-F468 WeakPolarHBondContact OD1-CB 3.33Å; N466-F468 PolarHBondContact OD1-N 2.82Å; N466-F468 VanDerWaalsContact OD1-N 3.09Å; N466-V469 HydrophobicContact CB-CB 4.34Å; N466-V469 HydrophobicContact CB-CG2 4.28Å; N466-V469 PolarHBondContact O-N 3.44Å; N466-V469 PolarHBondContact OD1-N 3.31Å; N466-L470 PolarHBondContact O-N 3.44Å; N466-L470 VanDerWaalsContact O-N 3.13Å | ||
| 467 | C | 93.5 | Very high | 91.8 | Very high | 12 Ų | 12 | 50.5 Ų | 50.5 | 8% | 0.081 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -64 | -28.1 | -179.9 | -65.9 | 0 | 0 | 0 | 0 | 114.2 | I465 L470 A471 I509 L512 T513 | I465-C467 PolarHBondContact O-N 3.43Å; I465-C467 VanDerWaalsContact O-N 3.13Å; C467-L470 PolarHBondContact O-N 3.39Å; C467-A471 WeakPolarHBondContact O-CB 3.25Å; C467-A471 PolarHBondContact O-N 3.21Å; C467-I509 HydrophobicContact CB-CG2 3.99Å; C467-I509 VanDerWaalsContact O-CG2 3.3Å; C467-I509 WeakPolarHBondContact O-CG2 3.35Å; C467-L512 HydrophobicContact CB-CB 4.11Å; C467-T513 HydrophobicContact CB-CG2 4.3Å |
| 468 | F | 94 | Very high | 91.3 | Very high | 125 Ų | 125 | 50.5 Ų | 50.5 | 55% | 0.548 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -65.2 | -46.8 | 176.2 | -65.8 | -91.5 | 0 | 0 | 0 | 111.2 | N466 L470 A471 N472 T513 | N466-F468 VanDerWaalsContact C-N 3.3Å; N466-F468 PolarHBondContact O-N 3.16Å; N466-F468 WeakPolarHBondContact OD1-CB 3.33Å; N466-F468 PolarHBondContact OD1-N 2.82Å; N466-F468 VanDerWaalsContact OD1-N 3.09Å; F468-L470 VanDerWaalsContact C-N 3.34Å; F468-A471 PolarHBondContact O-N 2.92Å; F468-N472 PolarHBondContact O-N 2.89Å; F468-N472 VanDerWaalsContact O-N 3.13Å; F468-T513 HydrophobicContact CB-CG2 4.48Å; F468-T513 HydrophobicContact CD1-CG2 3.73Å; F468-T513 HydrophobicContact CD2-CG2 4.33Å; F468-T513 VanDerWaalsContact CE1-CB 3.49Å; F468-T513 HydrophobicContact CE1-CG2 3.96Å; F468-T513 HydrophobicContact CG-CG2 3.93Å; F468-T513 HydrophobicContact CZ-CG2 4.34Å; F468-T513 WeakPolarHBondContact CZ-O 3.35Å |
| 469 | V | 93.7 | Very high | 91.1 | Very high | 58 Ų | 58 | 48.2 Ų | 48.2 | 35% | 0.352 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -66.2 | -39.4 | 178.3 | 177.3 | 0 | 0 | 0 | 0 | 110.7 | H420 N466 N472 F473 | H420-V469 WeakPolarHBondContact CE1-CG1 3.48Å; N466-V469 HydrophobicContact CB-CB 4.34Å; N466-V469 HydrophobicContact CB-CG2 4.28Å; N466-V469 PolarHBondContact O-N 3.44Å; N466-V469 PolarHBondContact OD1-N 3.31Å; V469-N472 PolarHBondContact O-N 3.04Å; V469-F473 VanDerWaalsContact O-CB 3.25Å; V469-F473 WeakPolarHBondContact O-CB 3.35Å; V469-F473 PolarHBondContact O-N 3.41Å |
| 470 | L | 93.8 | Very high | 90.9 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -65.1 | -42.4 | 175.9 | -74.7 | -174.1 | 0 | 0 | 0 | 113.1 | H420 Q423 L427 I465 N466 C467 F468 F473 M474 I509 | H420-L470 HydrophobicContact CB-CD2 4.14Å; H420-L470 WeakPolarHBondContact O-CD2 3.38Å; Q423-L470 HydrophobicContact CB-CD1 4.24Å; Q423-L470 HydrophobicContact CB-CD2 3.93Å; L427-L470 HydrophobicContact CD1-CD1 4.34Å; I465-L470 HydrophobicContact CG2-CD1 3.29Å; I465-L470 HydrophobicContact CG2-CG 4.21Å; N466-L470 PolarHBondContact O-N 3.44Å; N466-L470 VanDerWaalsContact O-N 3.13Å; C467-L470 PolarHBondContact O-N 3.39Å; F468-L470 VanDerWaalsContact C-N 3.34Å; L470-F473 PolarHBondContact O-N 3.36Å; L470-M474 VanDerWaalsContact O-CG 3.31Å; L470-M474 WeakPolarHBondContact O-CG 3.34Å; L470-M474 PolarHBondContact O-N 2.85Å; L470-I509 HydrophobicContact CB-CG2 4.31Å |
| 471 | A | 92.4 | Very high | 90.5 | Very high | 5 Ų | 5 | 45.6 Ų | 45.6 | 4% | 0.041 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -58.4 | -50.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | C467 F468 F473 M474 D475 I509 | C467-A471 WeakPolarHBondContact O-CB 3.25Å; C467-A471 PolarHBondContact O-N 3.21Å; F468-A471 PolarHBondContact O-N 2.92Å; A471-F473 VanDerWaalsContact C-N 3.35Å; A471-F473 PolarHBondContact O-N 3.05Å; A471-M474 PolarHBondContact O-N 3.48Å; A471-D475 PolarHBondContact O-N 3.27Å; A471-I509 HydrophobicContact CB-CG2 3.99Å |
| 472 | N | 92 | Very high | 90.2 | Very high | 91 Ų | 91 | 44.3 Ų | 44.3 | 49% | 0.487 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -61.3 | -43.3 | 177.6 | -67.4 | -9.5 | 0 | 0 | 0 | 111.7 | F468 V469 M474 D475 E476 | F468-N472 PolarHBondContact O-N 2.89Å; F468-N472 VanDerWaalsContact O-N 3.13Å; V469-N472 PolarHBondContact O-N 3.04Å; N472-M474 VanDerWaalsContact C-N 3.34Å; N472-M474 PolarHBondContact O-N 3.44Å; N472-D475 PolarHBondContact O-N 3.33Å; N472-E476 WeakPolarHBondContact O-CB 3.44Å; N472-E476 WeakPolarHBondContact O-CG 3.46Å; N472-E476 PolarHBondContact O-N 3.25Å |
| 473 | F | 92.8 | Very high | 89.9 | Confident | 11 Ų | 11 | 44.2 Ų | 44.2 | 5% | 0.048 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -58.9 | -43.4 | 176.2 | 167 | -100.8 | 0 | 0 | 0 | 112.4 | L187 I417 H420 V421 V469 L470 A471 D475 T477 L479 | L187-F473 HydrophobicContact CD1-CZ 4.34Å; I417-F473 HydrophobicContact CG1-CE2 4.3Å; I417-F473 HydrophobicContact CG2-CE2 4.48Å; I417-F473 HydrophobicContact CG2-CZ 4.32Å; H420-F473 HydrophobicContact CB-CB 4.47Å; H420-F473 HydrophobicContact CB-CD1 3.64Å; H420-F473 HydrophobicContact CB-CD2 3.75Å; H420-F473 HydrophobicContact CB-CE1 3.68Å; H420-F473 HydrophobicContact CB-CE2 3.79Å; H420-F473 HydrophobicContact CB-CG 3.67Å; H420-F473 HydrophobicContact CB-CZ 3.77Å; H420-F473 AromaticContact CD2-CD2 3.63Å; H420-F473 AromaticContact CG-CD2 3.93Å; H420-F473 AromaticContact CG-CG 3.96Å; V421-F473 HydrophobicContact CG2-CE1 4.06Å; V421-F473 HydrophobicContact CG2-CZ 3.79Å; V469-F473 VanDerWaalsContact O-CB 3.25Å; V469-F473 WeakPolarHBondContact O-CB 3.35Å; V469-F473 PolarHBondContact O-N 3.41Å; L470-F473 PolarHBondContact O-N 3.36Å; A471-F473 VanDerWaalsContact C-N 3.35Å; A471-F473 PolarHBondContact O-N 3.05Å; F473-D475 VanDerWaalsContact C-N 3.29Å; F473-D475 PolarHBondContact O-N 2.75Å; F473-T477 HydrophobicContact CD2-CG2 3.77Å; F473-T477 HydrophobicContact CE2-CG2 3.52Å; F473-T477 HydrophobicContact CZ-CG2 4.15Å; F473-T477 WeakPolarHBondContact O-CB 2.96Å; F473-T477 WeakPolarHBondContact O-CG2 3.06Å; F473-T477 PolarHBondContact O-N 3.33Å; F473-T477 VanDerWaalsContact O-N 3.09Å; F473-T477 PolarHBondContact O-OG1 3.26Å; F473-L479 HydrophobicContact CE1-CD2 4.07Å |
| 474 | M | 91.9 | Very high | 89.3 | Confident | 3 Ų | 3 | 40 Ų | 40 | 2% | 0.015 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -62.9 | -37.8 | 178.7 | -73.5 | -174.8 | 72.5 | 0 | 0 | 112.3 | L424 L470 A471 N472 N478 L479 I505 R506 I509 | L424-M474 HydrophobicContact CD1-SD 4.18Å; L424-M474 HydrophobicContact CD2-SD 4.48Å; L470-M474 VanDerWaalsContact O-CG 3.31Å; L470-M474 WeakPolarHBondContact O-CG 3.34Å; L470-M474 PolarHBondContact O-N 2.85Å; A471-M474 PolarHBondContact O-N 3.48Å; N472-M474 VanDerWaalsContact C-N 3.34Å; N472-M474 PolarHBondContact O-N 3.44Å; M474-N478 PolarHBondContact O-N 3.2Å; M474-L479 HydrophobicContact CB-CB 4.41Å; M474-L479 HydrophobicContact CE-CD2 4.4Å; M474-L479 HydrophobicContact CG-CB 4.42Å; M474-L479 HydrophobicContact CG-CD2 3.89Å; M474-L479 PolarHBondContact O-N 2.9Å; M474-I505 HydrophobicContact CE-CG2 4.4Å; M474-R506 HydrophobicContact CE-CB 3.83Å; M474-R506 HydrophobicContact SD-CB 4.41Å; M474-I509 HydrophobicContact SD-CD1 3.58Å; M474-I509 VanDerWaalsContact SD-CD1 3.58Å |
| 475 | D | 87.3 | Confident | 88.6 | Confident | 72 Ų | 72 | 36.4 Ų | 36.4 | 39% | 0.385 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -73.1 | -51.4 | 178.7 | -62.9 | -22.1 | 0 | 0 | 0 | 111.2 | A471 N472 F473 T477 N478 R506 | A471-D475 PolarHBondContact O-N 3.27Å; N472-D475 PolarHBondContact O-N 3.33Å; F473-D475 VanDerWaalsContact C-N 3.29Å; F473-D475 PolarHBondContact O-N 2.75Å; D475-T477 VanDerWaalsContact C-N 3.25Å; D475-T477 PolarHBondContact O-N 2.69Å; D475-N478 PolarHBondContact O-N 2.88Å; D475-N478 VanDerWaalsContact O-N 3.15Å; D475-R506 IonicContact OD1-CZ 3.88Å; D475-R506 IonicContact OD1-NE 3.03Å; D475-R506 PolarHBondContact OD1-NE 2.92Å; D475-R506 IonicContact OD1-NH2 2.65Å; D475-R506 IonicContact OD2-CZ 2.9Å; D475-R506 IonicContact OD2-NE 2.66Å; D475-R506 PolarHBondContact OD2-NE 2.86Å; D475-R506 IonicContact OD2-NH2 3.92Å; D475-R506 PolarHBondContact OD2-NH2 3.14Å |
| 476 | E | 86.1 | Confident | 88.1 | Confident | 98 Ų | 98 | 35.6 Ų | 35.6 | 46% | 0.458 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -60 | -33.5 | -178.7 | -74.6 | 178.3 | -179 | 0 | 0 | 113.2 | L191 N472 | L191-E476 HydrophobicContact CD2-CB 4.26Å; N472-E476 WeakPolarHBondContact O-CB 3.44Å; N472-E476 WeakPolarHBondContact O-CG 3.46Å; N472-E476 PolarHBondContact O-N 3.25Å |
| 477 | T | 85.4 | Confident | 87.5 | Confident | 11 Ų | 11 | 32.4 Ų | 32.4 | 7% | 0.067 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | -2 | -178.2 | 62.7 | 0 | 0 | 0 | 0 | 113.9 | L187 F473 D475 L479 K482 | L187-T477 HydrophobicContact CD2-CG2 4.4Å; F473-T477 HydrophobicContact CD2-CG2 3.77Å; F473-T477 HydrophobicContact CE2-CG2 3.52Å; F473-T477 HydrophobicContact CZ-CG2 4.15Å; F473-T477 WeakPolarHBondContact O-CB 2.96Å; F473-T477 WeakPolarHBondContact O-CG2 3.06Å; F473-T477 PolarHBondContact O-N 3.33Å; F473-T477 VanDerWaalsContact O-N 3.09Å; F473-T477 PolarHBondContact O-OG1 3.26Å; D475-T477 VanDerWaalsContact C-N 3.25Å; D475-T477 PolarHBondContact O-N 2.69Å; T477-L479 PolarHBondContact O-N 2.93Å; T477-K482 WeakPolarHBondContact O-CE 3.4Å; T477-K482 PolarHBondContact O-NZ 3.3Å; T477-K482 VanDerWaalsContact O-NZ 3.13Å |
| 478 | N | 83 | Confident | 86.6 | Confident | 42 Ų | 42 | 38 Ų | 38 | 23% | 0.225 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 50.5 | 40.8 | -170.8 | -69 | -69.6 | 0 | 0 | 0 | 112.6 | E195 M474 D475 C480 R481 K482 | E195-N478 VanDerWaalsContact CD-ND2 3.34Å; E195-N478 PolarHBondContact OE2-ND2 3.03Å; E195-N478 PolarHBondContact OE2-OD1 3.46Å; M474-N478 PolarHBondContact O-N 3.2Å; D475-N478 PolarHBondContact O-N 2.88Å; D475-N478 VanDerWaalsContact O-N 3.15Å; N478-C480 VanDerWaalsContact C-N 3.29Å; N478-C480 PolarHBondContact O-N 3.31Å; N478-R481 HydrophobicContact CB-CB 4.49Å; N478-R481 WeakPolarHBondContact O-CB 3.29Å; N478-R481 PolarHBondContact O-N 3.13Å; N478-R481 VanDerWaalsContact O-N 3.14Å; N478-K482 PolarHBondContact O-N 3.47Å; N478-K482 VanDerWaalsContact O-N 3.14Å |
| 479 | L | 88 | Confident | 85.5 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -58.7 | -40.5 | -170.6 | -176.1 | 64.7 | 0 | 0 | 0 | 112.1 | L187 L424 F473 M474 T477 R481 K482 M483 | L187-L479 HydrophobicContact CD1-CD1 3.69Å; L187-L479 HydrophobicContact CD2-CD1 3.7Å; L187-L479 HydrophobicContact CG-CD1 4.16Å; L424-L479 HydrophobicContact CD2-CD2 3.28Å; F473-L479 HydrophobicContact CE1-CD2 4.07Å; M474-L479 HydrophobicContact CB-CB 4.41Å; M474-L479 HydrophobicContact CE-CD2 4.4Å; M474-L479 HydrophobicContact CG-CB 4.42Å; M474-L479 HydrophobicContact CG-CD2 3.89Å; M474-L479 PolarHBondContact O-N 2.9Å; T477-L479 PolarHBondContact O-N 2.93Å; L479-R481 VanDerWaalsContact C-N 3.3Å; L479-R481 PolarHBondContact O-N 2.85Å; L479-K482 PolarHBondContact O-N 2.87Å; L479-M483 HydrophobicContact CD1-CG 3.7Å; L479-M483 HydrophobicContact CD1-SD 4.25Å; L479-M483 HydrophobicContact CG-CG 3.87Å; L479-M483 WeakPolarHBondContact O-CB 3.47Å; L479-M483 VanDerWaalsContact O-CG 3.3Å; L479-M483 WeakPolarHBondContact O-CG 3.44Å; L479-M483 PolarHBondContact O-N 2.88Å |
| 480 | C | 88.4 | Confident | 84.5 | Confident | 9 Ų | 9 | 35.2 Ų | 35.2 | 6% | 0.061 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -54.8 | -46.8 | 178.9 | -63.3 | 0 | 0 | 0 | 0 | 111.8 | N478 R484 F502 Y503 | N478-C480 VanDerWaalsContact C-N 3.29Å; N478-C480 PolarHBondContact O-N 3.31Å; C480-R484 WeakPolarHBondContact O-CB 3.5Å; C480-R484 PolarHBondContact O-N 3.44Å; C480-F502 HydrophobicContact CB-CB 4.24Å; C480-F502 PolarHBondContact SG-O 2.71Å; C480-Y503 HydrophobicContact CB-CD1 4.01Å; C480-Y503 HydrophobicContact CB-CD2 4.22Å; C480-Y503 HydrophobicContact CB-CE1 3.75Å; C480-Y503 HydrophobicContact CB-CE2 3.97Å; C480-Y503 HydrophobicContact CB-CG 4.24Å |
| 481 | R | 82.7 | Confident | 83.1 | Confident | 31 Ų | 31 | 38.6 Ų | 38.6 | 12% | 0.117 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -64.4 | -48.3 | 178.3 | -179.2 | 176.9 | 66.1 | 73.7 | -7.8 | 111.4 | E195 E269 N478 L479 R484 G485 | E195-R481 IonicContact OE1-CZ 3.4Å; E195-R481 IonicContact OE1-NE 3.29Å; E195-R481 IonicContact OE1-NH2 3.69Å; E195-R481 PolarHBondContact OE1-NH2 2.92Å; E269-R481 HydrophobicContact CG-CG 4.11Å; N478-R481 HydrophobicContact CB-CB 4.49Å; N478-R481 WeakPolarHBondContact O-CB 3.29Å; N478-R481 PolarHBondContact O-N 3.13Å; N478-R481 VanDerWaalsContact O-N 3.14Å; L479-R481 VanDerWaalsContact C-N 3.3Å; L479-R481 PolarHBondContact O-N 2.85Å; R481-R484 PolarHBondContact O-N 3.25Å; R481-G485 PolarHBondContact O-N 3.36Å |
| 482 | K | 85.7 | Confident | 81 | Confident | 14 Ų | 14 | 45.9 Ų | 45.9 | 6% | 0.061 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -62.8 | -44.8 | -179.6 | -70.5 | 176.9 | -177.8 | 170.4 | 0 | 111.7 | L187 D192 T477 N478 L479 R484 G485 F486 | L187-K482 HydrophobicContact CD2-CD 3.63Å; L187-K482 HydrophobicContact CG-CD 4.36Å; D192-K482 IonicContact OD2-NZ 3.76Å; D192-K482 PolarHBondContact OD2-NZ 3.09Å; T477-K482 WeakPolarHBondContact O-CE 3.4Å; T477-K482 PolarHBondContact O-NZ 3.3Å; T477-K482 VanDerWaalsContact O-NZ 3.13Å; N478-K482 PolarHBondContact O-N 3.47Å; N478-K482 VanDerWaalsContact O-N 3.14Å; L479-K482 PolarHBondContact O-N 2.87Å; K482-R484 VanDerWaalsContact C-N 3.33Å; K482-R484 PolarHBondContact O-N 3.01Å; K482-G485 PolarHBondContact O-N 3.13Å; K482-F486 PolarHBondContact O-N 3.43Å |
| 483 | M | 85.8 | Confident | 78.9 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -66.6 | -33.1 | 177.9 | -70.9 | -56.4 | -63.6 | 0 | 0 | 112.9 | A401 L402 Y405 L479 F486 L487 F502 | A401-M483 HydrophobicContact CB-CE 4.02Å; L402-M483 HydrophobicContact CD2-CE 3.75Å; L402-M483 HydrophobicContact CD2-SD 4.25Å; L402-M483 HydrophobicContact CG-CE 4.07Å; Y405-M483 HydrophobicContact CD1-SD 3.59Å; Y405-M483 VanDerWaalsContact CD1-SD 3.59Å; Y405-M483 HydrophobicContact CD2-SD 3.82Å; Y405-M483 HydrophobicContact CE1-SD 4.02Å; Y405-M483 HydrophobicContact CE2-SD 4.25Å; Y405-M483 HydrophobicContact CG-CE 4.08Å; Y405-M483 HydrophobicContact CG-SD 3.48Å; L479-M483 HydrophobicContact CD1-CG 3.7Å; L479-M483 HydrophobicContact CD1-SD 4.25Å; L479-M483 HydrophobicContact CG-CG 3.87Å; L479-M483 WeakPolarHBondContact O-CB 3.47Å; L479-M483 VanDerWaalsContact O-CG 3.3Å; L479-M483 WeakPolarHBondContact O-CG 3.44Å; L479-M483 PolarHBondContact O-N 2.88Å; M483-F486 HydrophobicContact CE-CD1 4.32Å; M483-F486 WeakPolarHBondContact O-CB 3.25Å; M483-F486 PolarHBondContact O-N 3.31Å; M483-L487 WeakPolarHBondContact O-CB 3.36Å; M483-L487 WeakPolarHBondContact O-CG 3.37Å; M483-L487 PolarHBondContact O-N 2.81Å; M483-F502 HydrophobicContact CB-CD1 3.97Å; M483-F502 HydrophobicContact CB-CD2 3.46Å; M483-F502 VanDerWaalsContact CB-CD2 3.46Å; M483-F502 HydrophobicContact CB-CE1 4.06Å; M483-F502 HydrophobicContact CB-CE2 3.56Å; M483-F502 HydrophobicContact CB-CG 3.69Å; M483-F502 HydrophobicContact CB-CZ 3.87Å; M483-F502 HydrophobicContact CE-CE1 3.88Å; M483-F502 HydrophobicContact CE-CE2 3.83Å; M483-F502 HydrophobicContact CE-CZ 3.28Å; M483-F502 HydrophobicContact CG-CD1 4Å; M483-F502 HydrophobicContact CG-CD2 4.33Å; M483-F502 HydrophobicContact CG-CE1 3.86Å; M483-F502 HydrophobicContact CG-CE2 4.2Å; M483-F502 HydrophobicContact CG-CG 4.24Å; M483-F502 HydrophobicContact CG-CZ 3.98Å; M483-F502 HydrophobicContact SD-CZ 4.46Å |
| 484 | R | 80 | Confident | 76.9 | Confident | 55 Ų | 55 | 53.4 Ų | 53.4 | 21% | 0.208 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -64.8 | -47.9 | 171.2 | -178.2 | 177.1 | 173.6 | -103 | -13.5 | 111.7 | E269 C480 R481 K482 F486 L487 K488 E499 | E269-R484 WeakPolarHBondContact OE2-CD 3.38Å; E269-R484 IonicContact OE2-CZ 2.91Å; E269-R484 IonicContact OE2-NE 3.1Å; E269-R484 IonicContact OE2-NH1 3.83Å; E269-R484 PolarHBondContact OE2-NH1 2.96Å; C480-R484 WeakPolarHBondContact O-CB 3.5Å; C480-R484 PolarHBondContact O-N 3.44Å; R481-R484 PolarHBondContact O-N 3.25Å; K482-R484 VanDerWaalsContact C-N 3.33Å; K482-R484 PolarHBondContact O-N 3.01Å; R484-F486 PolarHBondContact O-N 2.76Å; R484-L487 WeakPolarHBondContact O-CB 3.49Å; R484-L487 PolarHBondContact O-N 3.32Å; R484-K488 PolarHBondContact O-N 3.22Å; R484-K488 VanDerWaalsContact O-N 3.1Å; R484-E499 IonicContact CZ-OE1 3.26Å; R484-E499 IonicContact NE-OE1 3.69Å; R484-E499 IonicContact NH2-OE1 3.55Å; R484-E499 PolarHBondContact NH2-OE1 3.05Å |
| 485 | G | 76.8 | Confident | 75 | Confident | 25 Ų | 25 | 57.8 Ų | 57.8 | 26% | 0.258 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -56.5 | -39.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112 | N180 R481 K482 K488 S489 | N180-G485 PolarHBondContact ND2-O 3.12Å; R481-G485 PolarHBondContact O-N 3.36Å; K482-G485 PolarHBondContact O-N 3.13Å; G485-K488 PolarHBondContact O-N 2.66Å; G485-S489 PolarHBondContact O-N 3.25Å |
| 486 | F | 82.4 | Confident | 73.4 | Confident | 4 Ų | 4 | 63.9 Ų | 63.9 | 2% | 0.018 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -66.8 | -45.3 | 175.3 | -171.9 | -118.3 | 0 | 0 | 0 | 113.4 | I185 A401 Y405 K408 F409 K482 M483 R484 K488 S489 I490 | I185-F486 HydrophobicContact CG2-CB 3.57Å; I185-F486 HydrophobicContact CG2-CD2 4.03Å; I185-F486 HydrophobicContact CG2-CG 4.19Å; A401-F486 WeakPolarHBondContact O-CE1 3.39Å; Y405-F486 VanDerWaalsContact CB-CE1 3.48Å; Y405-F486 HydrophobicContact CD2-CB 4.08Å; Y405-F486 AromaticContact CD2-CD1 3.63Å; Y405-F486 HydrophobicContact CD2-CD1 3.63Å; Y405-F486 AromaticContact CD2-CD2 3.93Å; Y405-F486 HydrophobicContact CD2-CD2 3.93Å; Y405-F486 AromaticContact CD2-CE1 3.99Å; Y405-F486 HydrophobicContact CD2-CE1 3.99Å; Y405-F486 HydrophobicContact CD2-CE2 4.29Å; Y405-F486 AromaticContact CD2-CG 3.59Å; Y405-F486 HydrophobicContact CD2-CG 3.59Å; Y405-F486 HydrophobicContact CD2-CZ 4.32Å; Y405-F486 HydrophobicContact CE2-CB 4.49Å; Y405-F486 HydrophobicContact CE2-CG 4.35Å; Y405-F486 HydrophobicContact CG-CD1 4.12Å; Y405-F486 HydrophobicContact CG-CE1 4.26Å; Y405-F486 HydrophobicContact CG-CG 4.5Å; K408-F486 HydrophobicContact CD-CE2 3.64Å; K408-F486 HydrophobicContact CD-CZ 4.33Å; F409-F486 HydrophobicContact CE2-CD2 4.17Å; F409-F486 HydrophobicContact CE2-CE2 4.18Å; K482-F486 PolarHBondContact O-N 3.43Å; M483-F486 HydrophobicContact CE-CD1 4.32Å; M483-F486 WeakPolarHBondContact O-CB 3.25Å; M483-F486 PolarHBondContact O-N 3.31Å; R484-F486 PolarHBondContact O-N 2.76Å; F486-K488 VanDerWaalsContact C-N 3.26Å; F486-K488 PolarHBondContact O-N 3.29Å; F486-S489 WeakPolarHBondContact CD2-OG 3.35Å; F486-S489 WeakPolarHBondContact O-CA 3.49Å; F486-S489 WeakPolarHBondContact O-CB 3.44Å; F486-S489 PolarHBondContact O-N 3.16Å; F486-S489 PolarHBondContact O-OG 3.22Å; F486-I490 HydrophobicContact CD1-CD1 3.48Å; F486-I490 VanDerWaalsContact CD1-CD1 3.48Å; F486-I490 HydrophobicContact CD1-CG1 4.3Å; F486-I490 HydrophobicContact CE1-CD1 3.06Å; F486-I490 HydrophobicContact CE1-CG1 3.87Å; F486-I490 HydrophobicContact CE2-CD1 4.2Å; F486-I490 HydrophobicContact CE2-CG1 4.12Å; F486-I490 HydrophobicContact CG-CD1 4.22Å; F486-I490 HydrophobicContact CZ-CD1 3.48Å; F486-I490 VanDerWaalsContact CZ-CD1 3.48Å; F486-I490 HydrophobicContact CZ-CG1 3.77Å; F486-I490 WeakPolarHBondContact O-CG1 3.44Å; F486-I490 PolarHBondContact O-N 3.18Å |
| 487 | L | 81.3 | Confident | 72 | Confident | 14 Ų | 14 | 61.2 Ų | 61.2 | 7% | 0.073 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -54.2 | -43.3 | 175.3 | -87.3 | 169.2 | 0 | 0 | 0 | 111.4 | Q397 A401 M483 R484 S489 I490 F502 | Q397-L487 HydrophobicContact CG-CD2 4.2Å; A401-L487 HydrophobicContact CB-CD2 3.53Å; A401-L487 HydrophobicContact CB-CG 3.96Å; M483-L487 WeakPolarHBondContact O-CB 3.36Å; M483-L487 WeakPolarHBondContact O-CG 3.37Å; M483-L487 PolarHBondContact O-N 2.81Å; R484-L487 WeakPolarHBondContact O-CB 3.49Å; R484-L487 PolarHBondContact O-N 3.32Å; L487-S489 PolarHBondContact O-N 2.91Å; L487-I490 PolarHBondContact O-N 3.41Å; L487-F502 HydrophobicContact CD1-CD2 3.99Å; L487-F502 HydrophobicContact CD1-CE2 3.77Å; L487-F502 HydrophobicContact CG-CE2 4.36Å |
| 488 | K | 75.3 | Confident | 71.1 | Confident | 129 Ų | 129 | 63.6 Ų | 63.6 | 56% | 0.561 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -60.2 | -34.8 | 174.4 | -167.9 | 179.5 | -179.5 | -172.9 | 0 | 112 | E177 R484 G485 F486 | E177-K488 IonicContact OE2-NZ 3.47Å; E177-K488 PolarHBondContact OE2-NZ 2.9Å; R484-K488 PolarHBondContact O-N 3.22Å; R484-K488 VanDerWaalsContact O-N 3.1Å; G485-K488 PolarHBondContact O-N 2.66Å; F486-K488 VanDerWaalsContact C-N 3.26Å; F486-K488 PolarHBondContact O-N 3.29Å |
| 489 | S | 71.7 | Confident | 70.4 | Confident | 51 Ų | 51 | 64.6 Ų | 64.6 | 36% | 0.357 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -76.7 | -19.7 | -177.9 | 76.2 | 0 | 0 | 0 | 0 | 115.2 | G485 F486 L487 | G485-S489 PolarHBondContact O-N 3.25Å; F486-S489 WeakPolarHBondContact CD2-OG 3.35Å; F486-S489 WeakPolarHBondContact O-CA 3.49Å; F486-S489 WeakPolarHBondContact O-CB 3.44Å; F486-S489 PolarHBondContact O-N 3.16Å; F486-S489 PolarHBondContact O-OG 3.22Å; L487-S489 PolarHBondContact O-N 2.91Å |
| 490 | I | 71.9 | Confident | 70 | Confident | 75 Ų | 75 | 67.7 Ų | 67.7 | 39% | 0.385 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -87.6 | -21.7 | -177.7 | -62.8 | 163.5 | 0 | 0 | 0 | 111.8 | F486 L487 | F486-I490 HydrophobicContact CD1-CD1 3.48Å; F486-I490 VanDerWaalsContact CD1-CD1 3.48Å; F486-I490 HydrophobicContact CD1-CG1 4.3Å; F486-I490 HydrophobicContact CE1-CD1 3.06Å; F486-I490 HydrophobicContact CE1-CG1 3.87Å; F486-I490 HydrophobicContact CE2-CD1 4.2Å; F486-I490 HydrophobicContact CE2-CG1 4.12Å; F486-I490 HydrophobicContact CG-CD1 4.22Å; F486-I490 HydrophobicContact CZ-CD1 3.48Å; F486-I490 VanDerWaalsContact CZ-CD1 3.48Å; F486-I490 HydrophobicContact CZ-CG1 3.77Å; F486-I490 WeakPolarHBondContact O-CG1 3.44Å; F486-I490 PolarHBondContact O-N 3.18Å; L487-I490 PolarHBondContact O-N 3.41Å |
| 491 | Q | 63.6 | Low | 70.1 | Confident | 70 Ų | 70 | 67.3 Ų | 67.3 | 33% | 0.327 | 37% | 0.371 | S | S | . | . | trans | -84.8 | 142.5 | -164.4 | -113.6 | 171.7 | -28.3 | 0 | 0 | 114.4 | T495 V497 | Q491-T495 PolarHBondContact NE2-O 2.97Å; Q491-T495 VanDerWaalsContact NE2-O 3.15Å; Q491-T495 PolarHBondContact NE2-OG1 3.45Å; Q491-V497 VanDerWaalsContact CD-CG2 3.42Å; Q491-V497 VanDerWaalsContact NE2-CG2 3.28Å | ||
| 492 | L | 49.1 | Very low | 70.5 | Confident | 158 Ų | 158 | 66 Ų | 66 | 83% | 0.827 | 37% | 0.366 | S | S | * | . | trans | -95.8 | 143.7 | 162.8 | -66.7 | 164.1 | 0 | 0 | 0 | 108.4 | G494 | L492-G494 PolarHBondContact O-N 2.89Š| ||
| 493 | D | 47.8 | Very low | 70.7 | Confident | 178 Ų | 178 | 69 Ų | 69 | 95% | 0.952 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -45.3 | 129.8 | -172.7 | -67.6 | -39.2 | 0 | 0 | 0 | 114.3 | ||
| 494 | G | 50.2 | Low | 71 | Confident | 83 Ų | 83 | 69.8 Ų | 69.8 | 86% | 0.856 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 124.3 | -2.1 | 161 | 0 | 0 | 0 | 0 | 0 | 119.2 | L492 | L492-G494 PolarHBondContact O-N 2.89Š|
| 495 | T | 51.8 | Low | 71.6 | Confident | 94 Ų | 94 | 67.2 Ų | 67.2 | 58% | 0.577 | 37% | 0.374 | S | S | * | . | trans | -107.1 | 123.6 | 173.3 | 37.1 | 0 | 0 | 0 | 0 | 111.7 | Q491 V497 | Q491-T495 PolarHBondContact NE2-O 2.97Å; Q491-T495 VanDerWaalsContact NE2-O 3.15Å; Q491-T495 PolarHBondContact NE2-OG1 3.45Å; T495-V497 PolarHBondContact O-N 3.08Å; T495-V497 VanDerWaalsContact O-N 3.11Å | ||
| 496 | E | 53.9 | Low | 72.4 | Confident | 201 Ų | 201 | 68.5 Ų | 68.5 | 94% | 0.939 | 37% | 0.371 | S | S | * | . | trans | -60.4 | 113.4 | 171.7 | -76.1 | -173.5 | 165 | 0 | 0 | 109.6 | T498 | E496-T498 PolarHBondContact O-N 2.94Š| ||
| 497 | V | 56.4 | Low | 72.9 | Confident | 41 Ų | 41 | 71 Ų | 71 | 25% | 0.248 | 39% | 0.39 | C | S | . | . | trans | -71 | 127.6 | 170.4 | -177.2 | 0 | 0 | 0 | 0 | 108.1 | Q491 T495 E499 | Q491-V497 VanDerWaalsContact CD-CG2 3.42Å; Q491-V497 VanDerWaalsContact NE2-CG2 3.28Å; T495-V497 PolarHBondContact O-N 3.08Å; T495-V497 VanDerWaalsContact O-N 3.11Å; V497-E499 HydrophobicContact CB-CG 4.46Å; V497-E499 PolarHBondContact O-N 3.08Å | ||
| 498 | T | 66.8 | Low | 73.5 | Confident | 61 Ų | 61 | 70.4 Ų | 70.4 | 37% | 0.374 | 39% | 0.386 | S | S | . | . | trans | -66.6 | 91.2 | 155.2 | 33.7 | 0 | 0 | 0 | 0 | 108.6 | Q394 Q397 E496 N500 V501 | Q394-T498 HydrophobicContact CG-CG2 4.35Å; Q397-T498 PolarHBondContact OE1-OG1 3.36Å; E496-T498 PolarHBondContact O-N 2.94Å; T498-N500 PolarHBondContact O-N 3.37Å; T498-V501 WeakPolarHBondContact O-CG2 3.3Å; T498-V501 PolarHBondContact O-N 3.31Å; T498-V501 WeakPolarHBondContact OG1-CG2 3.46Å | ||
| 499 | E | 68.5 | Low | 74.5 | Confident | 63 Ų | 63 | 64.2 Ų | 64.2 | 29% | 0.294 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -17.7 | -171.6 | -60.3 | -172.3 | 110.3 | 0 | 0 | 114 | N263 L266 R484 V497 | N263-E499 PolarHBondContact ND2-OE2 2.78Å; L266-E499 WeakPolarHBondContact CD1-OE1 3.44Å; L266-E499 VanDerWaalsContact CD1-OE2 3.27Å; L266-E499 WeakPolarHBondContact CD1-OE2 3.35Å; L266-E499 HydrophobicContact CD2-CB 4.17Å; L266-E499 WeakPolarHBondContact CD2-OE2 3.48Å; R484-E499 IonicContact CZ-OE1 3.26Å; R484-E499 IonicContact NE-OE1 3.69Å; R484-E499 IonicContact NH2-OE1 3.55Å; R484-E499 PolarHBondContact NH2-OE1 3.05Å; V497-E499 HydrophobicContact CB-CG 4.46Å; V497-E499 PolarHBondContact O-N 3.08Å |
| 500 | N | 80.2 | Confident | 75.4 | Confident | 66 Ų | 66 | 62.5 Ų | 62.5 | 35% | 0.353 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.3 | 12.5 | -174.2 | -61.6 | -14.1 | 0 | 0 | 0 | 114 | T498 F502 Y503 A504 | T498-N500 PolarHBondContact O-N 3.37Å; N500-F502 PolarHBondContact O-N 3.03Å; N500-Y503 PolarHBondContact O-N 2.83Å; N500-Y503 VanDerWaalsContact O-N 3.14Å; N500-A504 PolarHBondContact O-N 3.45Å |
| 501 | V | 89.3 | Confident | 76.4 | Confident | 1 Ų | 1 | 59.4 Ų | 59.4 | 1% | 0.006 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -53.4 | -50.3 | -175.2 | 167.9 | 0 | 0 | 0 | 0 | 112.9 | Q394 A398 T498 A504 I505 | Q394-V501 HydrophobicContact CB-CG2 4.11Å; Q394-V501 HydrophobicContact CG-CG2 4.05Å; Q394-V501 WeakPolarHBondContact O-CG1 3.5Å; A398-V501 HydrophobicContact CB-CG1 3.59Å; T498-V501 WeakPolarHBondContact O-CG2 3.3Å; T498-V501 PolarHBondContact O-N 3.31Å; T498-V501 WeakPolarHBondContact OG1-CG2 3.46Å; V501-A504 WeakPolarHBondContact O-CB 3.42Å; V501-A504 PolarHBondContact O-N 3.42Å; V501-I505 HydrophobicContact CG1-CD1 4.15Å; V501-I505 WeakPolarHBondContact O-CG1 3.25Å; V501-I505 PolarHBondContact O-N 3.33Å |
| 502 | F | 91.6 | Very high | 77.8 | Confident | 4 Ų | 4 | 56.5 Ų | 56.5 | 2% | 0.018 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -73.1 | -27.9 | -179 | -76 | -83.7 | 0 | 0 | 0 | 113.2 | A398 A401 L402 C480 M483 L487 N500 I505 R506 | A398-F502 HydrophobicContact CB-CE1 4.49Å; A398-F502 HydrophobicContact CB-CZ 4.18Å; A401-F502 HydrophobicContact CB-CE2 4.06Å; A401-F502 HydrophobicContact CB-CZ 4.04Å; L402-F502 HydrophobicContact CD1-CE1 4.07Å; L402-F502 HydrophobicContact CD2-CE1 3.9Å; L402-F502 HydrophobicContact CD2-CZ 4.3Å; L402-F502 HydrophobicContact CG-CE1 3.79Å; L402-F502 HydrophobicContact CG-CZ 3.94Å; C480-F502 HydrophobicContact CB-CB 4.24Å; C480-F502 PolarHBondContact SG-O 2.71Å; M483-F502 HydrophobicContact CB-CD1 3.97Å; M483-F502 HydrophobicContact CB-CD2 3.46Å; M483-F502 VanDerWaalsContact CB-CD2 3.46Å; M483-F502 HydrophobicContact CB-CE1 4.06Å; M483-F502 HydrophobicContact CB-CE2 3.56Å; M483-F502 HydrophobicContact CB-CG 3.69Å; M483-F502 HydrophobicContact CB-CZ 3.87Å; M483-F502 HydrophobicContact CE-CE1 3.88Å; M483-F502 HydrophobicContact CE-CE2 3.83Å; M483-F502 HydrophobicContact CE-CZ 3.28Å; M483-F502 HydrophobicContact CG-CD1 4Å; M483-F502 HydrophobicContact CG-CD2 4.33Å; M483-F502 HydrophobicContact CG-CE1 3.86Å; M483-F502 HydrophobicContact CG-CE2 4.2Å; M483-F502 HydrophobicContact CG-CG 4.24Å; M483-F502 HydrophobicContact CG-CZ 3.98Å; M483-F502 HydrophobicContact SD-CZ 4.46Å; L487-F502 HydrophobicContact CD1-CD2 3.99Å; L487-F502 HydrophobicContact CD1-CE2 3.77Å; L487-F502 HydrophobicContact CG-CE2 4.36Å; N500-F502 PolarHBondContact O-N 3.03Å; F502-I505 HydrophobicContact CD1-CD1 4.15Å; F502-I505 HydrophobicContact CE1-CD1 4.29Å; F502-I505 PolarHBondContact O-N 3.26Å; F502-R506 WeakPolarHBondContact O-CB 3.36Å; F502-R506 PolarHBondContact O-N 3.42Å |
| 503 | Y | 90.4 | Very high | 79.9 | Confident | 76 Ų | 76 | 50.9 Ų | 50.9 | 30% | 0.298 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -67 | -40.2 | 169.9 | -70.9 | -78.5 | 0 | 0 | 0 | 111.4 | V265 E269 C480 N500 I505 R506 S507 | V265-Y503 HydrophobicContact CG1-CD2 3.85Å; V265-Y503 HydrophobicContact CG1-CE2 3.38Å; E269-Y503 WeakPolarHBondContact OE1-CE2 3.44Å; E269-Y503 PolarHBondContact OE1-OH 2.78Å; C480-Y503 HydrophobicContact CB-CD1 4.01Å; C480-Y503 HydrophobicContact CB-CD2 4.22Å; C480-Y503 HydrophobicContact CB-CE1 3.75Å; C480-Y503 HydrophobicContact CB-CE2 3.97Å; C480-Y503 HydrophobicContact CB-CG 4.24Å; N500-Y503 PolarHBondContact O-N 2.83Å; N500-Y503 VanDerWaalsContact O-N 3.14Å; Y503-I505 VanDerWaalsContact C-N 3.31Å; Y503-I505 PolarHBondContact O-N 3.29Å; Y503-R506 WeakPolarHBondContact O-CB 3.29Å; Y503-R506 PolarHBondContact O-N 2.9Å; Y503-S507 PolarHBondContact O-N 3.01Å; Y503-S507 PolarHBondContact O-OG 3.41Å |
| 504 | A | 91 | Very high | 81.9 | Confident | 16 Ų | 16 | 44.7 Ų | 44.7 | 13% | 0.132 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -62.6 | -38.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | I390 N500 V501 S507 Y508 | I390-A504 HydrophobicContact CD1-CB 4.24Å; I390-A504 HydrophobicContact CG1-CB 4.32Å; N500-A504 PolarHBondContact O-N 3.45Å; V501-A504 WeakPolarHBondContact O-CB 3.42Å; V501-A504 PolarHBondContact O-N 3.42Å; A504-S507 PolarHBondContact O-N 3.4Å; A504-Y508 WeakPolarHBondContact O-CB 3.45Å; A504-Y508 PolarHBondContact O-N 2.83Å |
| 505 | I | 94.2 | Very high | 83.7 | Confident | 1 Ų | 1 | 49.5 Ų | 49.5 | 1% | 0.005 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -65.5 | -41.3 | 173.1 | -68.3 | 166.2 | 0 | 0 | 0 | 111.5 | I390 A398 L424 V428 M474 V501 F502 Y503 S507 Y508 I509 | I390-I505 HydrophobicContact CD1-CG1 3.62Å; A398-I505 HydrophobicContact CB-CD1 3.27Å; L424-I505 HydrophobicContact CD1-CG2 3.96Å; V428-I505 HydrophobicContact CG2-CD1 4Å; V428-I505 HydrophobicContact CG2-CG2 4.44Å; M474-I505 HydrophobicContact CE-CG2 4.4Å; V501-I505 HydrophobicContact CG1-CD1 4.15Å; V501-I505 WeakPolarHBondContact O-CG1 3.25Å; V501-I505 PolarHBondContact O-N 3.33Å; F502-I505 HydrophobicContact CD1-CD1 4.15Å; F502-I505 HydrophobicContact CE1-CD1 4.29Å; F502-I505 PolarHBondContact O-N 3.26Å; Y503-I505 VanDerWaalsContact C-N 3.31Å; Y503-I505 PolarHBondContact O-N 3.29Å; I505-S507 VanDerWaalsContact C-N 3.32Å; I505-S507 PolarHBondContact O-N 2.86Å; I505-Y508 WeakPolarHBondContact O-CB 3.41Å; I505-Y508 PolarHBondContact O-N 3.02Å; I505-I509 HydrophobicContact CG2-CD1 3.83Å; I505-I509 HydrophobicContact CG2-CG1 4.39Å; I505-I509 WeakPolarHBondContact O-CG1 3.39Å; I505-I509 PolarHBondContact O-N 3.44Å |
| 506 | R | 93.5 | Very high | 85.2 | Confident | 53 Ų | 53 | 49.2 Ų | 49.2 | 20% | 0.2 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -62 | -40.8 | 175.5 | 175.7 | 57.4 | -174.1 | 78.5 | 1.7 | 111.6 | M474 D475 F502 Y503 G510 | M474-R506 HydrophobicContact CE-CB 3.83Å; M474-R506 HydrophobicContact SD-CB 4.41Å; D475-R506 IonicContact OD1-CZ 3.88Å; D475-R506 IonicContact OD1-NE 3.03Å; D475-R506 PolarHBondContact OD1-NE 2.92Å; D475-R506 IonicContact OD1-NH2 2.65Å; D475-R506 IonicContact OD2-CZ 2.9Å; D475-R506 IonicContact OD2-NE 2.66Å; D475-R506 PolarHBondContact OD2-NE 2.86Å; D475-R506 IonicContact OD2-NH2 3.92Å; D475-R506 PolarHBondContact OD2-NH2 3.14Å; F502-R506 WeakPolarHBondContact O-CB 3.36Å; F502-R506 PolarHBondContact O-N 3.42Å; Y503-R506 WeakPolarHBondContact O-CB 3.29Å; Y503-R506 PolarHBondContact O-N 2.9Å; R506-G510 PolarHBondContact O-N 3.27Å |
| 507 | S | 91.9 | Very high | 86.8 | Confident | 57 Ų | 57 | 41.3 Ų | 41.3 | 40% | 0.399 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -65.5 | -41.2 | 173.1 | -64.4 | 0 | 0 | 0 | 0 | 111.9 | Y503 A504 I505 G510 C511 | Y503-S507 PolarHBondContact O-N 3.01Å; Y503-S507 PolarHBondContact O-OG 3.41Å; A504-S507 PolarHBondContact O-N 3.4Å; I505-S507 VanDerWaalsContact C-N 3.32Å; I505-S507 PolarHBondContact O-N 2.86Å; S507-G510 PolarHBondContact O-N 2.71Å; S507-C511 PolarHBondContact O-N 2.96Å; S507-C511 PolarHBondContact O-SG 3.21Å |
| 508 | Y | 95.3 | Very high | 88.4 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -57.6 | -50.9 | 174.4 | 170.7 | -146.7 | 0 | 0 | 0 | 111.6 | F388 L427 S431 F456 A504 I505 G510 C511 L512 F521 | F388-Y508 AromaticContact CE1-CD2 3.68Å; F388-Y508 HydrophobicContact CE1-CD2 3.68Å; F388-Y508 HydrophobicContact CE1-CG 4.34Å; F388-Y508 AromaticContact CE2-CD2 3.84Å; F388-Y508 HydrophobicContact CE2-CD2 3.84Å; F388-Y508 AromaticContact CE2-CG 3.9Å; F388-Y508 HydrophobicContact CE2-CG 3.9Å; F388-Y508 AromaticContact CZ-CD2 3.15Å; F388-Y508 HydrophobicContact CZ-CD2 3.15Å; F388-Y508 AromaticContact CZ-CE2 3.95Å; F388-Y508 HydrophobicContact CZ-CE2 3.95Å; F388-Y508 AromaticContact CZ-CG 3.69Å; F388-Y508 HydrophobicContact CZ-CG 3.69Å; L427-Y508 HydrophobicContact CD2-CD1 4.14Å; L427-Y508 HydrophobicContact CD2-CE1 3.72Å; S431-Y508 WeakPolarHBondContact OG-CE1 3.37Å; S431-Y508 PolarHBondContact OG-OH 3.3Å; S431-Y508 VanDerWaalsContact OG-OH 3.04Å; F456-Y508 AromaticContact CE1-CE2 3.75Å; F456-Y508 HydrophobicContact CE1-CE2 3.75Å; F456-Y508 WeakPolarHBondContact CE1-OH 3.32Å; F456-Y508 HydrophobicContact CZ-CE2 4.08Å; A504-Y508 WeakPolarHBondContact O-CB 3.45Å; A504-Y508 PolarHBondContact O-N 2.83Å; I505-Y508 WeakPolarHBondContact O-CB 3.41Å; I505-Y508 PolarHBondContact O-N 3.02Å; Y508-G510 VanDerWaalsContact C-N 3.33Å; Y508-G510 PolarHBondContact O-N 3.3Å; Y508-C511 PolarHBondContact O-N 2.91Å; Y508-C511 VanDerWaalsContact O-N 3.15Å; Y508-L512 HydrophobicContact CD2-CD1 4.12Å; Y508-L512 HydrophobicContact CD2-CG 4.25Å; Y508-L512 HydrophobicContact CE2-CD1 3.71Å; Y508-L512 HydrophobicContact CE2-CD2 4.23Å; Y508-L512 HydrophobicContact CE2-CG 3.97Å; Y508-L512 PolarHBondContact O-N 2.98Å; Y508-L512 VanDerWaalsContact O-N 3.15Å; Y508-F521 AromaticContact CD2-CE1 3.9Å; Y508-F521 HydrophobicContact CD2-CE1 3.9Å; Y508-F521 HydrophobicContact CD2-CZ 4.49Å; Y508-F521 HydrophobicContact CE2-CD1 4.48Å; Y508-F521 AromaticContact CE2-CE1 3.67Å; Y508-F521 HydrophobicContact CE2-CE1 3.67Å; Y508-F521 HydrophobicContact CE2-CZ 4.29Å |
| 509 | I | 94.8 | Very high | 89.6 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -63.4 | -40.6 | 178 | -65 | 168 | 0 | 0 | 0 | 110.7 | L424 L427 C467 L470 A471 M474 I505 C511 L512 T513 | L424-I509 HydrophobicContact CD1-CD1 3.57Å; L427-I509 HydrophobicContact CD1-CD1 4.48Å; L427-I509 HydrophobicContact CD1-CG1 4.13Å; L427-I509 HydrophobicContact CD2-CG1 4.38Å; C467-I509 HydrophobicContact CB-CG2 3.99Å; C467-I509 VanDerWaalsContact O-CG2 3.3Å; C467-I509 WeakPolarHBondContact O-CG2 3.35Å; L470-I509 HydrophobicContact CB-CG2 4.31Å; A471-I509 HydrophobicContact CB-CG2 3.99Å; M474-I509 HydrophobicContact SD-CD1 3.58Å; M474-I509 VanDerWaalsContact SD-CD1 3.58Å; I505-I509 HydrophobicContact CG2-CD1 3.83Å; I505-I509 HydrophobicContact CG2-CG1 4.39Å; I505-I509 WeakPolarHBondContact O-CG1 3.39Å; I505-I509 PolarHBondContact O-N 3.44Å; I509-C511 VanDerWaalsContact C-N 3.29Å; I509-C511 PolarHBondContact O-N 2.99Å; I509-L512 WeakPolarHBondContact O-CB 3.5Å; I509-L512 PolarHBondContact O-N 3.08Å; I509-L512 VanDerWaalsContact O-N 3.13Å; I509-T513 PolarHBondContact O-N 2.87Å |
| 510 | G | 92.1 | Very high | 90.8 | Very high | 15 Ų | 15 | 36.8 Ų | 36.8 | 16% | 0.155 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -59.8 | -39.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | R506 S507 Y508 L512 T513 | R506-G510 PolarHBondContact O-N 3.27Å; S507-G510 PolarHBondContact O-N 2.71Å; Y508-G510 VanDerWaalsContact C-N 3.33Å; Y508-G510 PolarHBondContact O-N 3.3Å; G510-L512 VanDerWaalsContact C-N 3.29Å; G510-L512 PolarHBondContact O-N 3.28Å; G510-T513 WeakPolarHBondContact O-CB 3.43Å; G510-T513 PolarHBondContact O-N 3.5Å; G510-T513 PolarHBondContact O-OG1 3.45Å |
| 511 | C | 92.6 | Very high | 91.5 | Very high | 9 Ų | 9 | 33.7 Ų | 33.7 | 6% | 0.061 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -68.4 | -29.2 | 177.3 | -67.5 | 0 | 0 | 0 | 0 | 112.7 | F388 M453 S507 Y508 I509 T513 N514 F521 F537 | F388-C511 HydrophobicContact CD1-CB 3.75Å; F388-C511 WeakPolarHBondContact CD1-SG 3.32Å; F388-C511 HydrophobicContact CE1-CB 3.77Å; M453-C511 VanDerWaalsContact CE-O 3.28Å; M453-C511 WeakPolarHBondContact CE-O 3.45Å; S507-C511 PolarHBondContact O-N 2.96Å; S507-C511 PolarHBondContact O-SG 3.21Å; Y508-C511 PolarHBondContact O-N 2.91Å; Y508-C511 VanDerWaalsContact O-N 3.15Å; I509-C511 VanDerWaalsContact C-N 3.29Å; I509-C511 PolarHBondContact O-N 2.99Å; C511-T513 PolarHBondContact O-N 2.9Å; C511-N514 WeakPolarHBondContact O-CB 3.48Å; C511-N514 PolarHBondContact O-N 3.42Å; C511-N514 PolarHBondContact O-ND2 3.29Å; C511-F521 HydrophobicContact CB-CZ 4.29Å; C511-F537 HydrophobicContact CB-CB 4.12Å; C511-F537 HydrophobicContact CB-CD1 3.72Å; C511-F537 HydrophobicContact CB-CD2 4.11Å; C511-F537 HydrophobicContact CB-CE1 4.09Å; C511-F537 HydrophobicContact CB-CE2 4.44Å; C511-F537 HydrophobicContact CB-CG 3.73Å; C511-F537 HydrophobicContact CB-CZ 4.43Å; C511-F537 VanDerWaalsContact SG-CD1 3.57Å |
| 512 | L | 93.2 | Very high | 91.7 | Very high | 10 Ų | 10 | 33.8 Ų | 33.8 | 5% | 0.052 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -68.8 | -14.5 | 171.2 | -67 | 168.5 | 0 | 0 | 0 | 113.4 | L427 M453 F456 I457 I462 C467 Y508 I509 G510 F521 | L427-L512 HydrophobicContact CD1-CD1 4.45Å; M453-L512 HydrophobicContact SD-CD2 4.1Å; F456-L512 HydrophobicContact CD1-CD2 4Å; F456-L512 HydrophobicContact CE1-CD2 4.05Å; I457-L512 HydrophobicContact CG1-CD2 4.08Å; I462-L512 HydrophobicContact CD1-CD1 3.69Å; I462-L512 HydrophobicContact CD1-CD2 4.23Å; C467-L512 HydrophobicContact CB-CB 4.11Å; Y508-L512 HydrophobicContact CD2-CD1 4.12Å; Y508-L512 HydrophobicContact CD2-CG 4.25Å; Y508-L512 HydrophobicContact CE2-CD1 3.71Å; Y508-L512 HydrophobicContact CE2-CD2 4.23Å; Y508-L512 HydrophobicContact CE2-CG 3.97Å; Y508-L512 PolarHBondContact O-N 2.98Å; Y508-L512 VanDerWaalsContact O-N 3.15Å; I509-L512 WeakPolarHBondContact O-CB 3.5Å; I509-L512 PolarHBondContact O-N 3.08Å; I509-L512 VanDerWaalsContact O-N 3.13Å; G510-L512 VanDerWaalsContact C-N 3.29Å; G510-L512 PolarHBondContact O-N 3.28Å; L512-F521 HydrophobicContact CD2-CE1 4.23Å; L512-F521 HydrophobicContact CD2-CE2 3.75Å; L512-F521 HydrophobicContact CD2-CZ 3.44Å; L512-F521 VanDerWaalsContact CD2-CZ 3.44Å; L512-F521 HydrophobicContact CG-CZ 3.89Å |
| 513 | T | 91.4 | Very high | 91.7 | Very high | 40 Ų | 40 | 34 Ų | 34 | 25% | 0.245 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88 | -3.6 | 175.5 | 68 | 0 | 0 | 0 | 0 | 114.1 | C467 F468 I509 G510 C511 | C467-T513 HydrophobicContact CB-CG2 4.3Å; F468-T513 HydrophobicContact CB-CG2 4.48Å; F468-T513 HydrophobicContact CD1-CG2 3.73Å; F468-T513 HydrophobicContact CD2-CG2 4.33Å; F468-T513 VanDerWaalsContact CE1-CB 3.49Å; F468-T513 HydrophobicContact CE1-CG2 3.96Å; F468-T513 HydrophobicContact CG-CG2 3.93Å; F468-T513 HydrophobicContact CZ-CG2 4.34Å; F468-T513 WeakPolarHBondContact CZ-O 3.35Å; I509-T513 PolarHBondContact O-N 2.87Å; G510-T513 WeakPolarHBondContact O-CB 3.43Å; G510-T513 PolarHBondContact O-N 3.5Å; G510-T513 PolarHBondContact O-OG1 3.45Å; C511-T513 PolarHBondContact O-N 2.9Å |
| 514 | N | 90.5 | Very high | 91.5 | Very high | 47 Ų | 47 | 32.2 Ų | 32.2 | 25% | 0.251 | 17% | 0.174 | S | C | . | . | S | Bend | trans | -69.7 | 160.2 | 175.2 | -71.9 | -40.2 | 0 | 0 | 0 | 111.8 | M453 C511 F537 | M453-N514 HydrophobicContact CE-CB 4.14Å; C511-N514 WeakPolarHBondContact O-CB 3.48Å; C511-N514 PolarHBondContact O-N 3.42Å; C511-N514 PolarHBondContact O-ND2 3.29Å; N514-F537 HydrophobicContact CB-CZ 4.3Å; N514-F537 WeakPolarHBondContact ND2-CE1 3.32Å; N514-F537 VanDerWaalsContact ND2-CZ 3.3Å; N514-F537 WeakPolarHBondContact ND2-CZ 3.24Å |
| 515 | R | 87.9 | Confident | 91.1 | Very high | 185 Ų | 185 | 36 Ų | 36 | 70% | 0.698 | 19% | 0.187 | S | C | * | . | trans | -67.1 | 151.3 | 175 | -53.3 | 176.9 | 173.8 | -179.8 | -0.4 | 110.2 | G517 D518 | R515-G517 PolarHBondContact O-N 3.48Å; R515-D518 VanDerWaalsContact CB-OD2 3.28Å; R515-D518 WeakPolarHBondContact CB-OD2 3.2Å; R515-D518 WeakPolarHBondContact CG-OD2 3.29Å; R515-D518 PolarHBondContact O-N 3.29Å | ||
| 516 | V | 84.7 | Confident | 90 | Very high | 87 Ų | 87 | 39.4 Ų | 39.4 | 53% | 0.527 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | -27.8 | -174.3 | 177.6 | 0 | 0 | 0 | 0 | 113.5 | M453 | M453-V516 HydrophobicContact CB-CB 4.32Å; M453-V516 HydrophobicContact CB-CG1 4.2Å; M453-V516 HydrophobicContact CB-CG2 4.41Å; M453-V516 HydrophobicContact CG-CG2 4.42Å |
| 517 | G | 85.6 | Confident | 88.7 | Confident | 36 Ų | 36 | 41.3 Ų | 41.3 | 37% | 0.371 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | -16.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | R515 G519 | R515-G517 PolarHBondContact O-N 3.48Å; G517-G519 VanDerWaalsContact C-N 3.34Å; G517-G519 PolarHBondContact O-N 2.91Å |
| 518 | D | 90.1 | Very high | 86.9 | Confident | 14 Ų | 14 | 48.8 Ų | 48.8 | 8% | 0.075 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | -13.1 | -165.6 | -70.7 | -26.4 | 0 | 0 | 0 | 113.7 | R515 L539 L540 N541 | R515-D518 VanDerWaalsContact CB-OD2 3.28Å; R515-D518 WeakPolarHBondContact CB-OD2 3.2Å; R515-D518 WeakPolarHBondContact CG-OD2 3.29Å; R515-D518 PolarHBondContact O-N 3.29Å; D518-L539 WeakPolarHBondContact O-CD1 3.25Å; D518-L540 PolarHBondContact O-N 3.02Å; D518-N541 HydrophobicContact CB-CB 4.13Å; D518-N541 PolarHBondContact O-N 2.81Å; D518-N541 VanDerWaalsContact O-N 3.09Å; D518-N541 WeakPolarHBondContact OD1-CB 3.34Å; D518-N541 PolarHBondContact OD1-ND2 3.25Å |
| 519 | G | 93.1 | Very high | 84.8 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160 | -179.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | G517 I538 | G517-G519 VanDerWaalsContact C-N 3.34Å; G517-G519 PolarHBondContact O-N 2.91Å; G519-I538 CarbonylContact C-O 3.53Å; G519-I538 WeakPolarHBondContact CA-O 3.26Å |
| 520 | R | 94.4 | Very high | 82.8 | Confident | 56 Ų | 56 | 60.7 Ų | 60.7 | 21% | 0.211 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 149.5 | 178.3 | -65.8 | -70.1 | -178.9 | -91 | 1.9 | 111.2 | F451 F537 I538 L540 E743 | F451-R520 WeakPolarHBondContact O-CD 3.45Å; R520-F537 WeakPolarHBondContact O-CA 3.39Å; R520-F537 VanDerWaalsContact O-CD2 3.32Å; R520-F537 WeakPolarHBondContact O-CD2 3.37Å; R520-I538 HydrophobicContact CB-CD1 4.09Å; R520-I538 HydrophobicContact CB-CG1 3.76Å; R520-I538 PolarHBondContact N-O 3.45Å; R520-I538 PolarHBondContact O-N 2.97Å; R520-L540 HydrophobicContact CG-CD1 3.65Å; R520-L540 HydrophobicContact CG-CG 4.35Å; R520-E743 IonicContact NE-OE2 2.65Å; R520-E743 PolarHBondContact NE-OE2 3.04Å |
| 521 | F | 94.8 | Very high | 81.3 | Confident | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 135.5 | 169.8 | -77.9 | -89.3 | 0 | 0 | 0 | 110.3 | F388 C450 F451 M453 F456 Y508 C511 L512 I535 K536 F537 | F388-F521 HydrophobicContact CE1-CD1 4.38Å; F388-F521 AromaticContact CE1-CE1 3.59Å; F388-F521 HydrophobicContact CE1-CE1 3.59Å; F388-F521 HydrophobicContact CE1-CZ 4.32Å; F388-F521 HydrophobicContact CZ-CD1 4.33Å; F388-F521 AromaticContact CZ-CE1 3.75Å; F388-F521 HydrophobicContact CZ-CE1 3.75Å; C450-F521 CarbonylContact C-O 3.43Å; C450-F521 WeakPolarHBondContact CA-O 3.19Å; F451-F521 HydrophobicContact CB-CB 4.42Å; F451-F521 PolarHBondContact N-O 3.44Å; F451-F521 PolarHBondContact O-N 3.45Å; M453-F521 HydrophobicContact CE-CE2 3.75Å; M453-F521 HydrophobicContact SD-CD2 4.32Å; M453-F521 HydrophobicContact SD-CE2 3.56Å; M453-F521 VanDerWaalsContact SD-CE2 3.56Å; M453-F521 HydrophobicContact SD-CZ 4.48Å; F456-F521 HydrophobicContact CB-CB 3.97Å; F456-F521 HydrophobicContact CB-CD2 4Å; F456-F521 HydrophobicContact CB-CG 4.13Å; F456-F521 HydrophobicContact CD1-CB 4.06Å; F456-F521 AromaticContact CD1-CD1 3.8Å; F456-F521 HydrophobicContact CD1-CD1 3.8Å; F456-F521 AromaticContact CD1-CD2 3.63Å; F456-F521 HydrophobicContact CD1-CD2 3.63Å; F456-F521 HydrophobicContact CD1-CE1 4.12Å; F456-F521 AromaticContact CD1-CE2 3.99Å; F456-F521 HydrophobicContact CD1-CE2 3.99Å; F456-F521 AromaticContact CD1-CG 3.54Å; F456-F521 HydrophobicContact CD1-CG 3.54Å; F456-F521 HydrophobicContact CD1-CZ 4.23Å; F456-F521 HydrophobicContact CD2-CB 3.38Å; F456-F521 HydrophobicContact CD2-CD1 4.24Å; F456-F521 HydrophobicContact CD2-CD2 4.48Å; F456-F521 AromaticContact CD2-CG 3.8Å; F456-F521 HydrophobicContact CD2-CG 3.8Å; F456-F521 HydrophobicContact CE1-CB 4.44Å; F456-F521 AromaticContact CE1-CD1 3.55Å; F456-F521 HydrophobicContact CE1-CD1 3.55Å; F456-F521 HydrophobicContact CE1-CD2 4.23Å; F456-F521 AromaticContact CE1-CE1 3.74Å; F456-F521 HydrophobicContact CE1-CE1 3.74Å; F456-F521 HydrophobicContact CE1-CE2 4.41Å; F456-F521 AromaticContact CE1-CG 3.81Å; F456-F521 HydrophobicContact CE1-CG 3.81Å; F456-F521 HydrophobicContact CE1-CZ 4.19Å; F456-F521 HydrophobicContact CE2-CB 3.81Å; F456-F521 AromaticContact CE2-CD1 4Å; F456-F521 HydrophobicContact CE2-CD1 4Å; F456-F521 HydrophobicContact CE2-CG 4.04Å; F456-F521 HydrophobicContact CG-CB 3.51Å; F456-F521 HydrophobicContact CG-CD1 4.13Å; F456-F521 AromaticContact CG-CD2 3.77Å; F456-F521 HydrophobicContact CG-CD2 3.77Å; F456-F521 AromaticContact CG-CG 3.52Å; F456-F521 HydrophobicContact CG-CG 3.52Å; F456-F521 HydrophobicContact CZ-CB 4.31Å; F456-F521 AromaticContact CZ-CD1 3.64Å; F456-F521 HydrophobicContact CZ-CD1 3.64Å; F456-F521 HydrophobicContact CZ-CE1 4.16Å; F456-F521 HydrophobicContact CZ-CG 4.04Å; Y508-F521 AromaticContact CD2-CE1 3.9Å; Y508-F521 HydrophobicContact CD2-CE1 3.9Å; Y508-F521 HydrophobicContact CD2-CZ 4.49Å; Y508-F521 HydrophobicContact CE2-CD1 4.48Å; Y508-F521 AromaticContact CE2-CE1 3.67Å; Y508-F521 HydrophobicContact CE2-CE1 3.67Å; Y508-F521 HydrophobicContact CE2-CZ 4.29Å; C511-F521 HydrophobicContact CB-CZ 4.29Å; L512-F521 HydrophobicContact CD2-CE1 4.23Å; L512-F521 HydrophobicContact CD2-CE2 3.75Å; L512-F521 HydrophobicContact CD2-CZ 3.44Å; L512-F521 VanDerWaalsContact CD2-CZ 3.44Å; L512-F521 HydrophobicContact CG-CZ 3.89Å; F521-I535 HydrophobicContact CD1-CG2 3.93Å; F521-I535 HydrophobicContact CE1-CG2 4.47Å; F521-K536 CarbonylContact C-O 3.54Å; F521-K536 WeakPolarHBondContact CA-O 3.15Å; F521-F537 HydrophobicContact CD1-CB 4.34Å; F521-F537 HydrophobicContact CD1-CD2 4.3Å; F521-F537 AromaticContact CD2-CD2 3.89Å; F521-F537 HydrophobicContact CD2-CD2 3.89Å; F521-F537 HydrophobicContact CD2-CE2 4.36Å; F521-F537 HydrophobicContact CE1-CB 4.13Å; F521-F537 HydrophobicContact CE1-CD2 4.06Å; F521-F537 AromaticContact CE2-CD2 3.58Å; F521-F537 HydrophobicContact CE2-CD2 3.58Å; F521-F537 AromaticContact CE2-CE2 3.92Å; F521-F537 HydrophobicContact CE2-CE2 3.92Å; F521-F537 HydrophobicContact CG-CD2 4.23Å; F521-F537 HydrophobicContact CZ-CB 4.49Å; F521-F537 AromaticContact CZ-CD2 3.68Å; F521-F537 HydrophobicContact CZ-CD2 3.68Å; F521-F537 HydrophobicContact CZ-CE2 4.31Å; F521-F537 HydrophobicContact CZ-CG 4.41Å |
| 522 | L | 92.6 | Very high | 80.5 | Confident | 3 Ų | 3 | 64.2 Ų | 64.2 | 2% | 0.016 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 136.9 | 175.7 | -57.8 | -179.5 | 0 | 0 | 0 | 109.5 | V448 R449 C450 I535 K536 I538 E740 | V448-L522 HydrophobicContact CG1-CB 4.15Å; V448-L522 HydrophobicContact CG1-CD2 4.47Å; R449-L522 CarbonylContact O-C 3.56Å; R449-L522 VanDerWaalsContact O-CA 3.25Å; R449-L522 WeakPolarHBondContact O-CA 3.49Å; C450-L522 HydrophobicContact CB-CD2 3.53Å; C450-L522 VanDerWaalsContact SG-CD2 3.58Å; L522-I535 WeakPolarHBondContact O-CA 3.36Å; L522-K536 HydrophobicContact CB-CB 4.37Å; L522-K536 PolarHBondContact N-O 3.45Å; L522-K536 PolarHBondContact O-N 3.04Å; L522-I538 HydrophobicContact CD1-CD1 4.23Å; L522-I538 HydrophobicContact CD1-CG2 4.04Å; L522-E740 HydrophobicContact CD1-CG 3.38Å |
| 523 | I | 91.2 | Very high | 80.2 | Confident | 9 Ų | 9 | 65 Ų | 65 | 5% | 0.046 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 106.8 | 166.9 | -60 | -178.9 | 0 | 0 | 0 | 107.5 | L435 V448 R449 F451 F456 I534 | L435-I523 HydrophobicContact CD2-CG2 3.75Å; V448-I523 CarbonylContact C-O 3.57Å; V448-I523 WeakPolarHBondContact CA-O 3.4Å; R449-I523 PolarHBondContact N-O 3.43Å; R449-I523 PolarHBondContact O-N 3.27Å; F451-I523 HydrophobicContact CD2-CD1 4.37Å; F451-I523 HydrophobicContact CD2-CG1 4.31Å; F451-I523 HydrophobicContact CE2-CB 4.24Å; F451-I523 HydrophobicContact CE2-CD1 3.6Å; F451-I523 HydrophobicContact CE2-CG1 3.79Å; F451-I523 HydrophobicContact CZ-CD1 4.14Å; F456-I523 HydrophobicContact CE2-CD1 4.36Å; F456-I523 HydrophobicContact CE2-CG1 4.43Å; I523-I534 CarbonylContact C-O 3.58Å; I523-I534 WeakPolarHBondContact CA-O 3.23Å |
| 524 | D | 87 | Confident | 80.1 | Confident | 38 Ų | 38 | 63.1 Ų | 63.1 | 20% | 0.203 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 129.1 | 179.4 | -175.1 | 3 | 0 | 0 | 0 | 110.4 | V448 R526 K533 I534 | V448-D524 HydrophobicContact CG1-CB 4.35Å; V448-D524 HydrophobicContact CG2-CB 4.04Å; V448-D524 WeakPolarHBondContact CG2-OD1 3.32Å; D524-R526 IonicContact OD2-NE 2.73Å; D524-K533 CarbonylContact O-C 3.58Å; D524-K533 WeakPolarHBondContact O-CA 3.27Å; D524-I534 PolarHBondContact N-O 3.19Å; D524-I534 PolarHBondContact O-N 3.42Å |
| 525 | K | 81.3 | Confident | 80.3 | Confident | 96 Ų | 96 | 60.9 Ų | 60.9 | 42% | 0.417 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 92.9 | 169.4 | -174.9 | 174.6 | 179.6 | 175 | 0 | 108.9 | F443 S447 K533 | F443-K525 HydrophobicContact CD2-CD 3.98Å; F443-K525 HydrophobicContact CE1-CB 4.32Å; F443-K525 HydrophobicContact CE2-CB 4.12Å; F443-K525 HydrophobicContact CE2-CD 3.49Å; F443-K525 VanDerWaalsContact CE2-CD 3.49Å; F443-K525 HydrophobicContact CE2-CG 4.43Å; F443-K525 HydrophobicContact CZ-CB 3.69Å; F443-K525 HydrophobicContact CZ-CD 3.99Å; F443-K525 HydrophobicContact CZ-CG 4.48Å; S447-K525 WeakPolarHBondContact O-CB 3.42Å; S447-K525 PolarHBondContact O-N 2.9Å; K525-K533 HydrophobicContact CB-CG 4.48Å; K525-K533 HydrophobicContact CG-CG 4.39Å |
| 526 | R | 72.4 | Confident | 80.5 | Confident | 73 Ų | 73 | 54.6 Ų | 54.6 | 28% | 0.275 | 29% | 0.294 | S | S | . | . | trans | -68.6 | 151.7 | 171.7 | -67.3 | -164.4 | -179.1 | 148.8 | 8.5 | 111.5 | E389 D524 I534 | E389-R526 IonicContact OE1-CZ 3.39Å; E389-R526 IonicContact OE1-NH1 3.98Å; E389-R526 PolarHBondContact OE1-NH1 2.93Å; E389-R526 IonicContact OE1-NH2 3.94Å; E389-R526 PolarHBondContact OE1-NH2 2.98Å; E389-R526 IonicContact OE2-NH2 2.93Å; E389-R526 PolarHBondContact OE2-NH2 2.9Å; E389-R526 VanDerWaalsContact OE2-NH2 3.09Å; D524-R526 IonicContact OD2-NE 2.73Å; R526-I534 VanDerWaalsContact CD-CD1 3.47Å; R526-I534 HydrophobicContact CG-CD1 4.01Å | ||
| 527 | P | 65.1 | Low | 81 | Confident | 92 Ų | 92 | 50.6 Ų | 50.6 | 60% | 0.597 | 27% | 0.269 | S | S | * | . | trans | -57.1 | 148.9 | 173.7 | 21.8 | -31.3 | 0 | 0 | 0 | 111.5 | T529 E530 | P527-T529 PolarHBondContact O-N 3.4Å; P527-E530 PolarHBondContact O-N 2.78Å; P527-E530 VanDerWaalsContact O-N 3.11Å | ||
| 528 | K | 54.7 | Low | 81.4 | Confident | 215 Ų | 215 | 49.4 Ų | 49.4 | 94% | 0.935 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.7 | -17.5 | -169.1 | -70.4 | -177 | 176.7 | -179.3 | 0 | 115.8 | E530 | K528-E530 VanDerWaalsContact C-N 3.33Š|
| 529 | T | 51 | Low | 81.6 | Confident | 127 Ų | 127 | 48.9 Ų | 48.9 | 78% | 0.779 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.2 | -21.5 | -179.7 | 47.2 | 0 | 0 | 0 | 0 | 113.6 | P527 | P527-T529 PolarHBondContact O-N 3.4Š|
| 530 | E | 52.7 | Low | 81.6 | Confident | 122 Ų | 122 | 49 Ų | 49 | 57% | 0.57 | 25% | 0.252 | S | S | * | . | S | Bend | trans | -131.1 | 92.9 | -174.9 | -69.3 | 179.1 | 175 | 0 | 0 | 111.2 | P527 K528 G532 | P527-E530 PolarHBondContact O-N 2.78Å; P527-E530 VanDerWaalsContact O-N 3.11Å; K528-E530 VanDerWaalsContact C-N 3.33Å; E530-G532 PolarHBondContact O-N 3.09Å; E530-G532 VanDerWaalsContact O-N 3.1Å |
| 531 | S | 60.5 | Low | 81.6 | Confident | 66 Ų | 66 | 47.2 Ų | 47.2 | 46% | 0.462 | 25% | 0.247 | S | C | . | . | trans | 61.5 | 22.4 | 154.3 | 63.5 | 0 | 0 | 0 | 0 | 120.2 | S392 | S392-S531 PolarHBondContact OG-O 3.24Š| ||
| 532 | G | 75.1 | Confident | 81.4 | Confident | 32 Ų | 32 | 47.2 Ų | 47.2 | 33% | 0.33 | 25% | 0.247 | S | C | . | . | S | Bend | trans | 69.1 | -153.5 | 167.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | E530 | E530-G532 PolarHBondContact O-N 3.09Å; E530-G532 VanDerWaalsContact O-N 3.1Å |
| 533 | K | 87.4 | Confident | 81.4 | Confident | 26 Ų | 26 | 47.1 Ų | 47.1 | 11% | 0.113 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 150.3 | 176.8 | -56.5 | -171.3 | -161.9 | 135.8 | 0 | 110.9 | S392 L435 S437 D438 D524 K525 | S392-K533 VanDerWaalsContact CB-O 3.29Å; S392-K533 WeakPolarHBondContact CB-O 3.33Å; S392-K533 PolarHBondContact N-O 3.09Å; S392-K533 PolarHBondContact OG-N 3.33Å; S392-K533 PolarHBondContact OG-O 3.15Å; L435-K533 HydrophobicContact CB-CB 4.33Å; L435-K533 HydrophobicContact CD2-CB 3.9Å; L435-K533 WeakPolarHBondContact O-CD 3.34Å; L435-K533 WeakPolarHBondContact O-CE 3.36Å; L435-K533 PolarHBondContact O-NZ 3.11Å; S437-K533 PolarHBondContact O-NZ 2.83Å; D438-K533 IonicContact OD1-NZ 3.47Å; D438-K533 PolarHBondContact OD1-NZ 2.85Å; D524-K533 CarbonylContact O-C 3.58Å; D524-K533 WeakPolarHBondContact O-CA 3.27Å; K525-K533 HydrophobicContact CB-CG 4.48Å; K525-K533 HydrophobicContact CG-CG 4.39Å |
| 534 | I | 90.7 | Very high | 81.4 | Confident | 1 Ų | 1 | 49.4 Ų | 49.4 | 1% | 0.005 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 140.1 | -173.7 | -66.5 | 173.9 | 0 | 0 | 0 | 110.3 | E389 I390 I523 D524 R526 | E389-I534 HydrophobicContact CG-CG2 3.27Å; I390-I534 WeakPolarHBondContact O-CA 3.48Å; I523-I534 CarbonylContact C-O 3.58Å; I523-I534 WeakPolarHBondContact CA-O 3.23Å; D524-I534 PolarHBondContact N-O 3.19Å; D524-I534 PolarHBondContact O-N 3.42Å; R526-I534 VanDerWaalsContact CD-CD1 3.47Å; R526-I534 HydrophobicContact CG-CD1 4.01Å |
| 535 | I | 93.4 | Very high | 81.5 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 127.8 | 168.5 | -57.8 | 169.5 | 0 | 0 | 0 | 107.7 | F388 E389 I390 L395 L435 F456 F521 L522 | F388-I535 HydrophobicContact CE2-CG2 4.23Å; F388-I535 HydrophobicContact CZ-CG2 3.86Å; E389-I535 WeakPolarHBondContact CA-O 3.43Å; I390-I535 HydrophobicContact CG2-CB 3.94Å; I390-I535 PolarHBondContact N-O 3.47Å; I390-I535 PolarHBondContact O-N 3.46Å; L395-I535 HydrophobicContact CD1-CD1 4.08Å; L435-I535 HydrophobicContact CD1-CD1 3.93Å; L435-I535 HydrophobicContact CD1-CG1 3.87Å; L435-I535 HydrophobicContact CD2-CD1 4.2Å; L435-I535 HydrophobicContact CD2-CG1 3.71Å; L435-I535 HydrophobicContact CG-CD1 4.06Å; L435-I535 HydrophobicContact CG-CG1 4.05Å; F456-I535 HydrophobicContact CE2-CG2 4.18Å; F456-I535 HydrophobicContact CZ-CD1 4.3Å; F456-I535 HydrophobicContact CZ-CG2 3.83Å; F521-I535 HydrophobicContact CD1-CG2 3.93Å; F521-I535 HydrophobicContact CE1-CG2 4.47Å; L522-I535 WeakPolarHBondContact O-CA 3.36Å |
| 536 | K | 93.5 | Very high | 82 | Confident | 54 Ų | 54 | 44.3 Ų | 44.3 | 24% | 0.235 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 142.9 | 175.9 | 178.7 | 174.1 | 177.6 | -179.8 | 0 | 109.9 | F388 F521 L522 I538 E740 | F388-K536 WeakPolarHBondContact O-CA 3.47Å; F521-K536 CarbonylContact C-O 3.54Å; F521-K536 WeakPolarHBondContact CA-O 3.15Å; L522-K536 HydrophobicContact CB-CB 4.37Å; L522-K536 PolarHBondContact N-O 3.45Å; L522-K536 PolarHBondContact O-N 3.04Å; K536-I538 HydrophobicContact CG-CG2 4.48Å; K536-E740 WeakPolarHBondContact CE-OE1 3.31Å; K536-E740 IonicContact NZ-OE1 2.78Å; K536-E740 PolarHBondContact NZ-OE1 2.96Å; K536-E740 IonicContact NZ-OE2 3.8Å; K536-E740 PolarHBondContact NZ-OE2 3.44Å |
| 537 | F | 95.2 | Very high | 83 | Confident | 2 Ų | 2 | 42.8 Ų | 42.8 | 1% | 0.009 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 133.4 | 168.9 | 177.9 | -99.2 | 0 | 0 | 0 | 110.3 | F388 M453 C511 N514 R520 F521 L539 | F388-F537 HydrophobicContact CD1-CB 3.41Å; F388-F537 VanDerWaalsContact CD1-CB 3.41Å; F388-F537 HydrophobicContact CD1-CG 4.39Å; F388-F537 HydrophobicContact CE1-CB 3.26Å; F388-F537 HydrophobicContact CE1-CG 4.27Å; F388-F537 HydrophobicContact CZ-CB 4.25Å; F388-F537 PolarHBondContact O-N 3.07Å; M453-F537 HydrophobicContact CE-CE2 3.97Å; C511-F537 HydrophobicContact CB-CB 4.12Å; C511-F537 HydrophobicContact CB-CD1 3.72Å; C511-F537 HydrophobicContact CB-CD2 4.11Å; C511-F537 HydrophobicContact CB-CE1 4.09Å; C511-F537 HydrophobicContact CB-CE2 4.44Å; C511-F537 HydrophobicContact CB-CG 3.73Å; C511-F537 HydrophobicContact CB-CZ 4.43Å; C511-F537 VanDerWaalsContact SG-CD1 3.57Å; N514-F537 HydrophobicContact CB-CZ 4.3Å; N514-F537 WeakPolarHBondContact ND2-CE1 3.32Å; N514-F537 VanDerWaalsContact ND2-CZ 3.3Å; N514-F537 WeakPolarHBondContact ND2-CZ 3.24Å; R520-F537 WeakPolarHBondContact O-CA 3.39Å; R520-F537 VanDerWaalsContact O-CD2 3.32Å; R520-F537 WeakPolarHBondContact O-CD2 3.37Å; F521-F537 HydrophobicContact CD1-CB 4.34Å; F521-F537 HydrophobicContact CD1-CD2 4.3Å; F521-F537 AromaticContact CD2-CD2 3.89Å; F521-F537 HydrophobicContact CD2-CD2 3.89Å; F521-F537 HydrophobicContact CD2-CE2 4.36Å; F521-F537 HydrophobicContact CE1-CB 4.13Å; F521-F537 HydrophobicContact CE1-CD2 4.06Å; F521-F537 AromaticContact CE2-CD2 3.58Å; F521-F537 HydrophobicContact CE2-CD2 3.58Å; F521-F537 AromaticContact CE2-CE2 3.92Å; F521-F537 HydrophobicContact CE2-CE2 3.92Å; F521-F537 HydrophobicContact CG-CD2 4.23Å; F521-F537 HydrophobicContact CZ-CB 4.49Å; F521-F537 AromaticContact CZ-CD2 3.68Å; F521-F537 HydrophobicContact CZ-CD2 3.68Å; F521-F537 HydrophobicContact CZ-CE2 4.31Å; F521-F537 HydrophobicContact CZ-CG 4.41Å; F537-L539 HydrophobicContact CE1-CB 4.45Å; F537-L539 HydrophobicContact CE1-CD1 4.33Å |
| 538 | I | 94 | Very high | 84.3 | Confident | 11 Ų | 11 | 39.8 Ų | 39.8 | 6% | 0.056 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 127.9 | 173.6 | 59.5 | 171.3 | 0 | 0 | 0 | 109.6 | G519 R520 L522 K536 L540 E740 E743 | G519-I538 CarbonylContact C-O 3.53Å; G519-I538 WeakPolarHBondContact CA-O 3.26Å; R520-I538 HydrophobicContact CB-CD1 4.09Å; R520-I538 HydrophobicContact CB-CG1 3.76Å; R520-I538 PolarHBondContact N-O 3.45Å; R520-I538 PolarHBondContact O-N 2.97Å; L522-I538 HydrophobicContact CD1-CD1 4.23Å; L522-I538 HydrophobicContact CD1-CG2 4.04Å; K536-I538 HydrophobicContact CG-CG2 4.48Å; I538-L540 HydrophobicContact CD1-CD2 4.23Å; I538-E740 HydrophobicContact CG2-CG 4.08Å; I538-E743 HydrophobicContact CD1-CB 4.03Å |
| 539 | L | 93.9 | Very high | 86.2 | Confident | 4 Ų | 4 | 29.7 Ų | 29.7 | 2% | 0.021 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 123.6 | 170.5 | -171 | 71.1 | 0 | 0 | 0 | 108.9 | V382 H386 D518 F537 P542 | V382-L539 HydrophobicContact CG1-CD2 4.35Å; H386-L539 HydrophobicContact CB-CD2 3.97Å; D518-L539 WeakPolarHBondContact O-CD1 3.25Å; F537-L539 HydrophobicContact CE1-CB 4.45Å; F537-L539 HydrophobicContact CE1-CD1 4.33Å; L539-P542 HydrophobicContact CD2-CB 4.25Å |
| 540 | L | 93 | Very high | 88.2 | Confident | 1 Ų | 1 | 23.8 Ų | 23.8 | 1% | 0.005 | 14% | 0.135 | C | C | . | . | S | Bend | trans | -92.5 | -37.7 | 175.8 | -64.5 | 177 | 0 | 0 | 0 | 111.2 | D518 R520 I538 P542 R572 E743 K744 Y747 | D518-L540 PolarHBondContact O-N 3.02Å; R520-L540 HydrophobicContact CG-CD1 3.65Å; R520-L540 HydrophobicContact CG-CG 4.35Å; I538-L540 HydrophobicContact CD1-CD2 4.23Å; L540-P542 WeakPolarHBondContact O-CD 3.39Å; L540-R572 PolarHBondContact O-NH2 3.26Å; L540-E743 HydrophobicContact CD2-CB 4.42Å; L540-K744 HydrophobicContact CD2-CB 4.44Å; L540-K744 HydrophobicContact CD2-CG 3.78Å; L540-Y747 HydrophobicContact CB-CD1 3.96Å; L540-Y747 HydrophobicContact CB-CD2 4.12Å; L540-Y747 HydrophobicContact CB-CE1 4.27Å; L540-Y747 HydrophobicContact CB-CE2 4.41Å; L540-Y747 HydrophobicContact CB-CG 3.88Å; L540-Y747 HydrophobicContact CD1-CD2 3.95Å; L540-Y747 HydrophobicContact CD1-CG 4.04Å; L540-Y747 HydrophobicContact CG-CG 4.43Å |
| 541 | N | 93.1 | Very high | 90.1 | Very high | 19 Ų | 19 | 24.6 Ų | 24.6 | 10% | 0.102 | 14% | 0.137 | C | C | . | . | trans | -109.4 | 84.6 | -177 | -170.1 | 6.2 | 0 | 0 | 0 | 112.1 | D518 A543 V544 Y747 | D518-N541 HydrophobicContact CB-CB 4.13Å; D518-N541 PolarHBondContact O-N 2.81Å; D518-N541 VanDerWaalsContact O-N 3.09Å; D518-N541 WeakPolarHBondContact OD1-CB 3.34Å; D518-N541 PolarHBondContact OD1-ND2 3.25Å; N541-A543 PolarHBondContact O-N 3.01Å; N541-A543 WeakPolarHBondContact OD1-CB 3.42Å; N541-A543 PolarHBondContact OD1-N 3.47Å; N541-V544 WeakPolarHBondContact ND2-CG2 3.46Å; N541-Y747 HydrophobicContact CB-CE1 4.41Å; N541-Y747 WeakPolarHBondContact CB-OH 3.42Å | ||
| 542 | P | 92.1 | Very high | 91.7 | Very high | 1 Ų | 1 | 24.8 Ų | 24.8 | 1% | 0.006 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -18.1 | 177.9 | 29.2 | -35.8 | 0 | 0 | 0 | 113.5 | L379 V382 E383 L539 L540 V544 C545 | L379-P542 HydrophobicContact CD2-CB 4.36Å; L379-P542 HydrophobicContact CD2-CG 4.02Å; V382-P542 HydrophobicContact CB-CB 4.43Å; V382-P542 HydrophobicContact CG1-CB 3.91Å; E383-P542 HydrophobicContact CG-CB 4.46Å; L539-P542 HydrophobicContact CD2-CB 4.25Å; L540-P542 WeakPolarHBondContact O-CD 3.39Å; P542-V544 VanDerWaalsContact C-N 3.26Å; P542-V544 PolarHBondContact O-N 3.45Å; P542-C545 PolarHBondContact O-N 3.12Å; P542-C545 VanDerWaalsContact O-N 3.14Å |
| 543 | A | 92.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -59 | -37.9 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | N541 C545 I546 D547 R572 L573 P576 L577 | N541-A543 PolarHBondContact O-N 3.01Å; N541-A543 WeakPolarHBondContact OD1-CB 3.42Å; N541-A543 PolarHBondContact OD1-N 3.47Å; A543-C545 PolarHBondContact O-N 2.85Å; A543-I546 PolarHBondContact O-N 3.26Å; A543-D547 PolarHBondContact O-N 3.32Å; A543-R572 WeakPolarHBondContact CB-O 3.27Å; A543-L573 HydrophobicContact CB-CD1 4.21Å; A543-P576 HydrophobicContact CB-CB 4.05Å; A543-L577 HydrophobicContact CB-CD1 4.16Å; A543-L577 HydrophobicContact CB-CD2 3.94Å; A543-L577 HydrophobicContact CB-CG 3.76Å |
| 544 | V | 90.1 | Very high | 93 | Very high | 58 Ų | 58 | 26.5 Ų | 26.5 | 35% | 0.352 | 13% | 0.127 | S | C | . | . | H | α-helix | trans | -59.2 | -33.5 | -179.5 | -179.1 | 0 | 0 | 0 | 0 | 112.1 | N541 P542 I546 | N541-V544 WeakPolarHBondContact ND2-CG2 3.46Å; P542-V544 VanDerWaalsContact C-N 3.26Å; P542-V544 PolarHBondContact O-N 3.45Å; V544-I546 VanDerWaalsContact C-N 3.3Å; V544-I546 PolarHBondContact O-N 3.5Å |
| 545 | C | 89.9 | Confident | 93.3 | Very high | 20 Ų | 20 | 26.4 Ų | 26.4 | 14% | 0.135 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -76.7 | -17.5 | 179.9 | -57.8 | 0 | 0 | 0 | 0 | 113.2 | V382 H386 P542 A543 | V382-C545 HydrophobicContact CG1-CB 3.68Å; H386-C545 VanDerWaalsContact CD2-SG 3.52Å; P542-C545 PolarHBondContact O-N 3.12Å; P542-C545 VanDerWaalsContact O-N 3.14Å; A543-C545 PolarHBondContact O-N 2.85Å |
| 546 | I | 92.1 | Very high | 93.5 | Very high | 6 Ų | 6 | 26.6 Ų | 26.6 | 3% | 0.031 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -106.9 | -12.8 | -177.7 | -50.6 | -177.5 | 0 | 0 | 0 | 111.2 | M353 L378 L379 V382 A543 V544 D548 V549 L550 L573 | M353-I546 HydrophobicContact SD-CD1 4.43Å; M353-I546 HydrophobicContact SD-CG1 4.06Å; L378-I546 HydrophobicContact CD1-CD1 4.39Å; L378-I546 HydrophobicContact CD2-CD1 4.15Å; L378-I546 HydrophobicContact CG-CD1 4.12Å; L379-I546 HydrophobicContact CD2-CD1 4.44Å; V382-I546 HydrophobicContact CG2-CD1 3.95Å; V382-I546 HydrophobicContact CG2-CG1 4.18Å; A543-I546 PolarHBondContact O-N 3.26Å; V544-I546 VanDerWaalsContact C-N 3.3Å; V544-I546 PolarHBondContact O-N 3.5Å; I546-D548 VanDerWaalsContact C-N 3.28Å; I546-D548 PolarHBondContact O-N 2.65Å; I546-V549 HydrophobicContact CG2-CB 4.33Å; I546-V549 WeakPolarHBondContact O-CB 3.43Å; I546-V549 PolarHBondContact O-N 3.46Å; I546-L550 HydrophobicContact CG2-CD1 4.14Å; I546-L550 HydrophobicContact CG2-CG 4.19Å; I546-L550 PolarHBondContact O-N 3.43Å; I546-L573 HydrophobicContact CB-CD1 3.8Å; I546-L573 HydrophobicContact CD1-CD1 3.85Å; I546-L573 HydrophobicContact CD1-CD2 4.35Å; I546-L573 HydrophobicContact CG1-CD1 4.29Å; I546-L573 HydrophobicContact CG2-CD1 3.98Å |
| 547 | D | 93.5 | Very high | 93.7 | Very high | 42 Ų | 42 | 24 Ų | 24 | 23% | 0.225 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -51.2 | -44.8 | -177 | -175 | 39.9 | 0 | 0 | 0 | 113 | A543 L550 K551 L577 | A543-D547 PolarHBondContact O-N 3.32Å; D547-L550 PolarHBondContact O-N 3.23Å; D547-K551 WeakPolarHBondContact O-CB 3.44Å; D547-K551 WeakPolarHBondContact O-CG 3.34Å; D547-K551 PolarHBondContact O-N 3.15Å; D547-K551 WeakPolarHBondContact OD1-CD 3.36Å; D547-K551 WeakPolarHBondContact OD1-CE 3.32Å; D547-K551 IonicContact OD1-NZ 2.77Å; D547-K551 PolarHBondContact OD1-NZ 3.3Å; D547-K551 IonicContact OD2-NZ 3.63Å; D547-K551 PolarHBondContact OD2-NZ 3.08Å; D547-L577 HydrophobicContact CB-CD1 4.32Å; D547-L577 HydrophobicContact CB-CD2 3.67Å |
| 548 | D | 92.5 | Very high | 93.7 | Very high | 29 Ų | 29 | 24 Ų | 24 | 16% | 0.155 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -67.5 | -38.3 | 179.3 | 62.6 | -7.6 | 0 | 0 | 0 | 112.3 | K355 R358 I546 L550 K551 E552 | K355-D548 IonicContact NZ-OD2 2.84Å; R358-D548 IonicContact CZ-OD2 3.52Å; R358-D548 IonicContact NH1-OD1 2.71Å; R358-D548 IonicContact NH1-OD2 3.42Å; R358-D548 VanDerWaalsContact NH2-CG 3.27Å; R358-D548 IonicContact NH2-OD1 3.03Å; R358-D548 IonicContact NH2-OD2 3.97Å; R358-D548 PolarHBondContact NH2-OD2 3.34Å; I546-D548 VanDerWaalsContact C-N 3.28Å; I546-D548 PolarHBondContact O-N 2.65Å; D548-L550 PolarHBondContact O-N 2.78Å; D548-K551 PolarHBondContact O-N 2.88Å; D548-E552 WeakPolarHBondContact O-CB 3.4Å; D548-E552 VanDerWaalsContact O-CG 3.26Å; D548-E552 WeakPolarHBondContact O-CG 3.45Å; D548-E552 PolarHBondContact O-N 3.31Å |
| 549 | V | 94.4 | Very high | 93.7 | Very high | 2 Ų | 2 | 23.5 Ų | 23.5 | 1% | 0.012 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -60.8 | -44 | 173.6 | -177.2 | 0 | 0 | 0 | 0 | 111.2 | L352 L365 V370 I546 A553 V556 | L352-V549 HydrophobicContact CD1-CG1 4.43Å; L365-V549 HydrophobicContact CD1-CB 4.2Å; L365-V549 HydrophobicContact CD1-CG1 4.16Å; L365-V549 HydrophobicContact CD1-CG2 3.98Å; V370-V549 HydrophobicContact CG1-CG1 4.15Å; V370-V549 HydrophobicContact CG2-CG1 4.38Å; I546-V549 HydrophobicContact CG2-CB 4.33Å; I546-V549 WeakPolarHBondContact O-CB 3.43Å; I546-V549 PolarHBondContact O-N 3.46Å; V549-A553 WeakPolarHBondContact O-CB 3.15Å; V549-A553 PolarHBondContact O-N 3.33Å; V549-A553 VanDerWaalsContact O-N 3.16Å; V549-V556 HydrophobicContact CG1-CG2 4.47Å |
| 550 | L | 93.2 | Very high | 93.5 | Very high | 3 Ų | 3 | 23.3 Ų | 23.3 | 2% | 0.016 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -72.8 | -25.5 | -179.4 | -75 | 167.6 | 0 | 0 | 0 | 113.8 | V62 I546 D547 D548 V556 L573 F574 L577 R583 | V62-L550 HydrophobicContact CG1-CD2 4.4Å; V62-L550 HydrophobicContact CG2-CD2 3.78Å; I546-L550 HydrophobicContact CG2-CD1 4.14Å; I546-L550 HydrophobicContact CG2-CG 4.19Å; I546-L550 PolarHBondContact O-N 3.43Å; D547-L550 PolarHBondContact O-N 3.23Å; D548-L550 PolarHBondContact O-N 2.78Å; L550-V556 HydrophobicContact CD2-CB 3.94Å; L550-V556 HydrophobicContact CD2-CG1 4.07Å; L550-V556 HydrophobicContact CD2-CG2 3.92Å; L550-L573 HydrophobicContact CD1-CD1 3.95Å; L550-L573 HydrophobicContact CD1-CG 4.21Å; L550-F574 HydrophobicContact CD1-CD1 4.45Å; L550-F574 HydrophobicContact CD1-CE1 4.29Å; L550-F574 HydrophobicContact CD2-CE1 4.16Å; L550-L577 HydrophobicContact CD1-CD1 3.47Å; L550-L577 VanDerWaalsContact CD1-CD1 3.47Å; L550-R583 PolarHBondContact O-NH1 2.89Å; L550-R583 PolarHBondContact O-NH2 3.13Å |
| 551 | K | 92.5 | Very high | 93 | Very high | 139 Ų | 139 | 23.3 Ų | 23.3 | 60% | 0.604 | 11% | 0.113 | S | C | * | . | H | α-helix | trans | -89.3 | -41.3 | 178.5 | -76.2 | 173.9 | 175.9 | 158.6 | 0 | 113.2 | D547 D548 | D547-K551 WeakPolarHBondContact O-CB 3.44Å; D547-K551 WeakPolarHBondContact O-CG 3.34Å; D547-K551 PolarHBondContact O-N 3.15Å; D547-K551 WeakPolarHBondContact OD1-CD 3.36Å; D547-K551 WeakPolarHBondContact OD1-CE 3.32Å; D547-K551 IonicContact OD1-NZ 2.77Å; D547-K551 PolarHBondContact OD1-NZ 3.3Å; D547-K551 IonicContact OD2-NZ 3.63Å; D547-K551 PolarHBondContact OD2-NZ 3.08Å; D548-K551 PolarHBondContact O-N 2.88Å |
| 552 | E | 93.7 | Very high | 92.4 | Very high | 70 Ų | 70 | 23 Ų | 23 | 33% | 0.327 | 11% | 0.112 | S | C | . | . | H | α-helix | trans | -81 | -37.2 | -175.6 | -65.2 | 174.8 | -172.9 | 0 | 0 | 111.9 | K355 L365 T366 D548 | K355-E552 IonicContact NZ-OE1 2.98Å; L365-E552 CarbonylContact C-O 3.32Å; L365-E552 HydrophobicContact CB-CB 3.85Å; T366-E552 VanDerWaalsContact CA-O 3.24Å; T366-E552 WeakPolarHBondContact CA-O 3.17Å; T366-E552 PolarHBondContact N-O 2.81Å; D548-E552 WeakPolarHBondContact O-CB 3.4Å; D548-E552 VanDerWaalsContact O-CG 3.26Å; D548-E552 WeakPolarHBondContact O-CG 3.45Å; D548-E552 PolarHBondContact O-N 3.31Å |
| 553 | A | 95.8 | Very high | 92 | Very high | 4 Ų | 4 | 23.3 Ų | 23.3 | 3% | 0.033 | 11% | 0.113 | C | C | . | . | B | Isolated β-bridge | trans | -69.3 | 141.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | L365 V370 V549 A555 V556 | L365-A553 WeakPolarHBondContact O-CA 3.44Å; V370-A553 HydrophobicContact CB-CB 4.33Å; V370-A553 HydrophobicContact CG2-CB 3.69Å; V549-A553 WeakPolarHBondContact O-CB 3.15Å; V549-A553 PolarHBondContact O-N 3.33Å; V549-A553 VanDerWaalsContact O-N 3.16Å; A553-A555 VanDerWaalsContact C-N 3.34Å; A553-A555 PolarHBondContact O-N 3.15Å; A553-V556 HydrophobicContact CB-CG2 3.75Å |
| 554 | R | 94.4 | Very high | 91.6 | Very high | 90 Ų | 90 | 25.2 Ų | 25.2 | 34% | 0.34 | 12% | 0.122 | S | C | . | . | S | Bend | trans | -56.3 | -50.9 | 171 | 178.6 | -172.8 | 178.3 | 86 | 3.3 | 110.6 | L57 L58 G60 N368 | L57-R554 PolarHBondContact O-NE 3.03Å; L58-R554 PolarHBondContact O-NH2 3.47Å; G60-R554 CarbonylContact C-O 3.46Å; G60-R554 WeakPolarHBondContact CA-O 3.45Å; N368-R554 WeakPolarHBondContact O-CB 2.82Å; N368-R554 PolarHBondContact O-N 3.44Å |
| 555 | A | 96.5 | Very high | 91.4 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 144.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | L57 N61 V369 V370 A553 | L57-A555 HydrophobicContact CD2-CB 3.71Å; N61-A555 WeakPolarHBondContact O-CA 3.49Å; N61-A555 WeakPolarHBondContact O-CB 3.4Å; V369-A555 HydrophobicContact CG2-CB 4.42Å; V370-A555 PolarHBondContact N-O 3.43Å; A553-A555 VanDerWaalsContact C-N 3.34Å; A553-A555 PolarHBondContact O-N 3.15Å |
| 556 | V | 96.9 | Very high | 91.2 | Very high | 3 Ų | 3 | 22.3 Ų | 22.3 | 2% | 0.018 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 122.3 | 177.4 | -178.6 | 0 | 0 | 0 | 0 | 109.1 | N61 V62 A63 V370 V549 L550 A553 L558 | N61-V556 PolarHBondContact O-N 3.33Å; V62-V556 CarbonylContact C-O 3.58Å; V62-V556 WeakPolarHBondContact CA-O 3.45Å; V62-V556 HydrophobicContact CG1-CB 4.47Å; V62-V556 WeakPolarHBondContact CG1-O 3.46Å; V62-V556 HydrophobicContact CG2-CB 4.44Å; A63-V556 PolarHBondContact N-O 3.37Å; V370-V556 HydrophobicContact CB-CG2 4.41Å; V370-V556 CarbonylContact O-C 3.34Å; V370-V556 WeakPolarHBondContact O-CA 3.33Å; V549-V556 HydrophobicContact CG1-CG2 4.47Å; L550-V556 HydrophobicContact CD2-CB 3.94Å; L550-V556 HydrophobicContact CD2-CG1 4.07Å; L550-V556 HydrophobicContact CD2-CG2 3.92Å; A553-V556 HydrophobicContact CB-CG2 3.75Å; V556-L558 HydrophobicContact CG1-CD2 4.08Å |
| 557 | V | 97.3 | Very high | 91 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 112.9 | -179.4 | 177.1 | 0 | 0 | 0 | 0 | 108.6 | L53 L57 A63 M65 L77 V370 I371 V372 | L53-V557 HydrophobicContact CD1-CG1 4.24Å; L53-V557 HydrophobicContact CD1-CG2 3.69Å; L57-V557 HydrophobicContact CD2-CG2 3.88Å; A63-V557 HydrophobicContact CB-CG2 4.48Å; A63-V557 CarbonylContact O-C 3.51Å; A63-V557 WeakPolarHBondContact O-CA 3.46Å; M65-V557 HydrophobicContact CE-CG1 3.28Å; L77-V557 HydrophobicContact CD2-CG1 4.38Å; V370-V557 PolarHBondContact O-N 3.01Å; I371-V557 CarbonylContact C-O 3.55Å; I371-V557 WeakPolarHBondContact CA-O 3.47Å; I371-V557 HydrophobicContact CB-CB 4.47Å; I371-V557 HydrophobicContact CG1-CB 4.16Å; I371-V557 HydrophobicContact CG1-CG2 4.48Å; I371-V557 HydrophobicContact CG2-CB 4.35Å; I371-V557 HydrophobicContact CG2-CG1 4.34Å; V372-V557 PolarHBondContact N-O 3.33Å |
| 558 | L | 96.5 | Very high | 90.8 | Very high | 3 Ų | 3 | 26.5 Ų | 26.5 | 2% | 0.016 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 116.9 | 171.2 | -56.7 | -171.9 | 0 | 0 | 0 | 108.2 | A63 I64 M65 V372 A375 L378 V556 M563 L573 F574 | A63-L558 PolarHBondContact O-N 2.73Å; I64-L558 CarbonylContact C-O 3.53Å; I64-L558 WeakPolarHBondContact CA-O 3.45Å; M65-L558 PolarHBondContact N-O 2.83Å; V372-L558 HydrophobicContact CB-CD2 3.86Å; V372-L558 HydrophobicContact CG1-CD2 4.49Å; V372-L558 HydrophobicContact CG2-CD2 4.12Å; A375-L558 HydrophobicContact CB-CB 3.74Å; A375-L558 HydrophobicContact CB-CD2 4.24Å; A375-L558 HydrophobicContact CB-CG 4.45Å; L378-L558 HydrophobicContact CD2-CD1 4.45Å; L378-L558 HydrophobicContact CD2-CD2 3.86Å; V556-L558 HydrophobicContact CG1-CD2 4.08Å; L558-M563 HydrophobicContact CB-CE 4.29Å; L558-L573 HydrophobicContact CD1-CD2 4.28Å; L558-F574 HydrophobicContact CD1-CE2 4.32Å; L558-F574 HydrophobicContact CD1-CZ 3.72Å |
| 559 | T | 94.1 | Very high | 90.7 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 148 | -177.4 | -177.2 | 0 | 0 | 0 | 0 | 111.7 | M65 L77 I371 V372 D373 E374 A375 | M65-T559 VanDerWaalsContact O-CA 3.28Å; M65-T559 WeakPolarHBondContact O-CA 3.48Å; M65-T559 PolarHBondContact O-OG1 3.21Å; L77-T559 HydrophobicContact CD1-CG2 3.54Å; L77-T559 HydrophobicContact CD2-CG2 3.95Å; L77-T559 HydrophobicContact CG-CG2 4.38Å; I371-T559 HydrophobicContact CG2-CG2 4.08Å; V372-T559 WeakPolarHBondContact O-CG2 3.47Å; V372-T559 PolarHBondContact O-N 3.27Å; D373-T559 CarbonylContact C-O 3.51Å; D373-T559 HydrophobicContact CB-CG2 3.83Å; E374-T559 WeakPolarHBondContact CA-O 3.3Å; E374-T559 PolarHBondContact N-O 2.93Å; A375-T559 PolarHBondContact N-O 2.8Å |
| 560 | G | 89.2 | Confident | 90.6 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.8 | 157.1 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | M65 S67 T562 | M65-G560 PolarHBondContact O-N 3.24Å; S67-G560 PolarHBondContact N-O 2.65Å; S67-G560 VanDerWaalsContact N-O 3.12Å; G560-T562 VanDerWaalsContact C-N 3.27Å |
| 561 | G | 83.4 | Confident | 90.4 | Very high | 1 Ų | 1 | 27.5 Ų | 27.5 | 1% | 0.01 | 12% | 0.12 | C | C | . | . | S | Bend | trans | -66.5 | -32.6 | 170.7 | 0 | 0 | 0 | 0 | 0 | 113 | S67 P68 | S67-G561 WeakPolarHBondContact O-CA 3.39Å; P68-G561 WeakPolarHBondContact CA-O 3.3Å |
| 562 | T | 79.7 | Confident | 90.4 | Very high | 11 Ų | 11 | 21.3 Ų | 21.3 | 7% | 0.067 | 9% | 0.093 | C | C | . | . | trans | -147 | 116.2 | -179.4 | 51 | 0 | 0 | 0 | 0 | 107.4 | H376 G560 N768 | H376-T562 WeakPolarHBondContact CB-O 3.34Å; G560-T562 VanDerWaalsContact C-N 3.27Å; T562-N768 HydrophobicContact CG2-CB 4.39Å | ||
| 563 | M | 83.1 | Confident | 90.3 | Very high | 8 Ų | 8 | 18 Ų | 18 | 4% | 0.039 | 8% | 0.078 | C | C | . | . | trans | -106.5 | -18.4 | 178 | -64.3 | -63.6 | -75.5 | 0 | 0 | 111.8 | I64 E66 A375 H376 L558 P565 V566 L569 | I64-M563 HydrophobicContact CG2-CB 4.49Å; I64-M563 HydrophobicContact CG2-CE 3.7Å; I64-M563 HydrophobicContact CG2-CG 4.39Å; E66-M563 HydrophobicContact CB-CB 4.08Å; E66-M563 HydrophobicContact CB-CG 3.89Å; E66-M563 VanDerWaalsContact CD-N 3.28Å; E66-M563 HydrophobicContact CG-CB 4.44Å; E66-M563 HydrophobicContact CG-CG 4.38Å; E66-M563 PolarHBondContact OE2-N 2.9Å; A375-M563 HydrophobicContact CB-CE 3.94Å; A375-M563 HydrophobicContact CB-SD 4.34Å; H376-M563 HydrophobicContact CB-SD 4.32Å; L558-M563 HydrophobicContact CB-CE 4.29Å; M563-P565 CarbonylContact O-C 3.55Å; M563-V566 HydrophobicContact CB-CG2 3.89Å; M563-V566 PolarHBondContact O-N 3.48Å; M563-L569 HydrophobicContact CE-CD1 3.4Å | ||
| 564 | E | 84.9 | Confident | 90.2 | Very high | 41 Ų | 41 | 17.9 Ų | 17.9 | 19% | 0.192 | 8% | 0.076 | C | C | . | . | trans | -65.4 | 137.2 | 175 | -66.8 | -62 | 173.2 | 0 | 0 | 113 | E66 V566 N768 | E66-E564 PolarHBondContact OE2-N 3.31Å; E564-V566 HydrophobicContact CG-CG2 4.49Å; E564-V566 PolarHBondContact OE2-N 3.1Å; E564-N768 PolarHBondContact O-ND2 3.32Å | ||
| 565 | P | 85.2 | Confident | 90 | Very high | 11 Ų | 11 | 17.1 Ų | 17.1 | 7% | 0.071 | 8% | 0.078 | C | C | . | . | S | Bend | cis | -79 | 119.1 | -2 | 28 | -30.7 | 0 | 0 | 0 | 113.3 | M563 R567 D761 | M563-P565 CarbonylContact O-C 3.55Å; P565-R567 PolarHBondContact O-N 3.5Å; P565-D761 WeakPolarHBondContact CB-OD1 3.39Å; P565-D761 HydrophobicContact CG-CB 3.47Å; P565-D761 VanDerWaalsContact CG-CB 3.47Å; P565-D761 WeakPolarHBondContact CG-OD1 3.47Å |
| 566 | V | 86.7 | Confident | 89.6 | Confident | 6 Ų | 6 | 19.5 Ų | 19.5 | 4% | 0.036 | 9% | 0.093 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | -20 | -174 | -172.9 | 0 | 0 | 0 | 0 | 112.4 | I64 M563 E564 E568 L569 Y570 | I64-V566 HydrophobicContact CD1-CG1 3.83Å; I64-V566 HydrophobicContact CG2-CG1 4.04Å; M563-V566 HydrophobicContact CB-CG2 3.89Å; M563-V566 PolarHBondContact O-N 3.48Å; E564-V566 HydrophobicContact CG-CG2 4.49Å; E564-V566 PolarHBondContact OE2-N 3.1Å; V566-E568 PolarHBondContact O-N 3.21Å; V566-L569 HydrophobicContact CG1-CD1 4.43Å; V566-L569 WeakPolarHBondContact O-CB 3.34Å; V566-L569 PolarHBondContact O-N 3.05Å; V566-Y570 HydrophobicContact CB-CE2 4.43Å; V566-Y570 HydrophobicContact CG1-CD2 4.05Å; V566-Y570 HydrophobicContact CG1-CE2 3.55Å; V566-Y570 WeakPolarHBondContact O-CD2 3.48Å; V566-Y570 PolarHBondContact O-N 2.82Å |
| 567 | R | 87.4 | Confident | 89.3 | Confident | 124 Ų | 124 | 21.1 Ų | 21.1 | 47% | 0.468 | 10% | 0.102 | S | C | . | . | H | α-helix | trans | -57.8 | -33.6 | -178.3 | -167.8 | 174.3 | 178.1 | 176.7 | -0.2 | 113.4 | P565 L569 Y570 D571 E757 | P565-R567 PolarHBondContact O-N 3.5Å; R567-L569 PolarHBondContact O-N 3.26Å; R567-Y570 PolarHBondContact O-N 2.85Å; R567-Y570 VanDerWaalsContact O-N 3.07Å; R567-D571 IonicContact NE-OD2 3.59Å; R567-D571 PolarHBondContact O-N 2.92Å; R567-E757 WeakPolarHBondContact CD-OE1 3.35Å; R567-E757 IonicContact CZ-OE1 3.19Å; R567-E757 IonicContact CZ-OE2 3.09Å; R567-E757 IonicContact NE-OE1 2.86Å; R567-E757 IonicContact NE-OE2 2.75Å; R567-E757 PolarHBondContact NE-OE2 3.4Å; R567-E757 IonicContact NH1-OE1 2.68Å; R567-E757 PolarHBondContact NH1-OE1 3.37Å; R567-E757 IonicContact NH1-OE2 3.85Å; R567-E757 PolarHBondContact NH1-OE2 2.99Å; R567-E757 IonicContact NH2-OE2 3.93Å; R567-E757 PolarHBondContact NH2-OE2 3.36Å |
| 568 | E | 89 | Confident | 88.9 | Confident | 12 Ų | 12 | 24 Ų | 24 | 6% | 0.056 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -53.8 | -43.5 | 174.3 | -171.5 | -166.7 | 178.5 | 0 | 0 | 111.2 | L379 V566 Y570 R572 Y758 K765 | L379-E568 HydrophobicContact CD1-CG 4.18Å; V566-E568 PolarHBondContact O-N 3.21Å; E568-Y570 PolarHBondContact O-N 2.76Å; E568-R572 HydrophobicContact CG-CG 4.34Å; E568-R572 VanDerWaalsContact O-CB 3.24Å; E568-R572 WeakPolarHBondContact O-CB 3.32Å; E568-R572 VanDerWaalsContact O-CG 3.3Å; E568-R572 WeakPolarHBondContact O-CG 3.4Å; E568-R572 PolarHBondContact O-N 3.29Å; E568-R572 IonicContact OE1-NH1 3.89Å; E568-Y758 HydrophobicContact CG-CD2 4.29Å; E568-Y758 WeakPolarHBondContact OE1-CE2 3.34Å; E568-K765 IonicContact OE2-NZ 3.83Å; E568-K765 PolarHBondContact OE2-NZ 3.21Å |
| 569 | L | 90.7 | Very high | 88.6 | Confident | 7 Ų | 7 | 24.7 Ų | 24.7 | 4% | 0.037 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -66.3 | -38.7 | 179.5 | -68.2 | 168.3 | 0 | 0 | 0 | 111.6 | L379 M563 V566 R567 L573 F574 | L379-L569 HydrophobicContact CD1-CD2 4.06Å; L379-L569 HydrophobicContact CG-CD2 4.09Å; M563-L569 HydrophobicContact CE-CD1 3.4Å; V566-L569 HydrophobicContact CG1-CD1 4.43Å; V566-L569 WeakPolarHBondContact O-CB 3.34Å; V566-L569 PolarHBondContact O-N 3.05Å; R567-L569 PolarHBondContact O-N 3.26Å; L569-L573 WeakPolarHBondContact O-CA 3.45Å; L569-L573 WeakPolarHBondContact O-CB 3.35Å; L569-L573 PolarHBondContact O-N 2.99Å; L569-F574 HydrophobicContact CB-CE2 4.31Å; L569-F574 PolarHBondContact O-N 2.89Å |
| 570 | Y | 91.5 | Very high | 88.4 | Confident | 33 Ų | 33 | 28.1 Ų | 28.1 | 13% | 0.129 | 16% | 0.158 | C | C | . | . | I | π-helix | trans | -65.1 | -53.2 | 176.7 | -71.7 | -76.7 | 0 | 0 | 0 | 111.6 | I64 V566 R567 E568 R572 F574 I575 M581 I584 | I64-Y570 HydrophobicContact CD1-CE1 4.34Å; I64-Y570 HydrophobicContact CD1-CE2 4.06Å; V566-Y570 HydrophobicContact CB-CE2 4.43Å; V566-Y570 HydrophobicContact CG1-CD2 4.05Å; V566-Y570 HydrophobicContact CG1-CE2 3.55Å; V566-Y570 WeakPolarHBondContact O-CD2 3.48Å; V566-Y570 PolarHBondContact O-N 2.82Å; R567-Y570 PolarHBondContact O-N 2.85Å; R567-Y570 VanDerWaalsContact O-N 3.07Å; E568-Y570 PolarHBondContact O-N 2.76Å; Y570-R572 VanDerWaalsContact C-N 3.29Å; Y570-R572 PolarHBondContact O-N 2.96Å; Y570-F574 HydrophobicContact CD1-CB 4.3Å; Y570-F574 AromaticContact CD1-CD2 3.89Å; Y570-F574 HydrophobicContact CD1-CD2 3.89Å; Y570-F574 HydrophobicContact CE1-CD2 4.19Å; Y570-F574 HydrophobicContact CG-CD2 4.41Å; Y570-F574 PolarHBondContact O-N 3.36Å; Y570-I575 WeakPolarHBondContact O-CB 3.44Å; Y570-I575 WeakPolarHBondContact O-CG1 3.48Å; Y570-I575 PolarHBondContact O-N 3.18Å; Y570-M581 HydrophobicContact CD1-CE 3.87Å; Y570-M581 HydrophobicContact CD1-SD 3.71Å; Y570-M581 HydrophobicContact CE1-CE 3.39Å; Y570-M581 HydrophobicContact CE1-SD 3.63Å; Y570-I584 HydrophobicContact CD1-CD1 4.23Å; Y570-I584 HydrophobicContact CE1-CB 4.49Å; Y570-I584 HydrophobicContact CE1-CD1 3.82Å; Y570-I584 HydrophobicContact CE1-CG2 3.94Å |
| 571 | D | 90.2 | Very high | 88.4 | Confident | 15 Ų | 15 | 33.5 Ų | 33.5 | 8% | 0.08 | 19% | 0.185 | C | C | . | . | I | π-helix | trans | -65.7 | -31.4 | -175.1 | -73.9 | 10 | 0 | 0 | 0 | 112.6 | R567 P576 F752 S754 | R567-D571 IonicContact NE-OD2 3.59Å; R567-D571 PolarHBondContact O-N 2.92Å; D571-P576 VanDerWaalsContact O-CD 3.31Å; D571-P576 WeakPolarHBondContact O-CD 3.39Å; D571-P576 WeakPolarHBondContact O-CG 3.36Å; D571-F752 HydrophobicContact CB-CD2 4.3Å; D571-F752 WeakPolarHBondContact O-CE2 3.38Å; D571-S754 WeakPolarHBondContact OD2-CB 3.35Å; D571-S754 PolarHBondContact OD2-OG 3.2Å; D571-S754 VanDerWaalsContact OD2-OG 3.07Å |
| 572 | R | 92 | Very high | 88.7 | Confident | 9 Ų | 9 | 38.6 Ų | 38.6 | 3% | 0.034 | 22% | 0.22 | C | C | . | . | I | π-helix | trans | -104.6 | -15.8 | -172.9 | -57.6 | -166.2 | 68.8 | -150.4 | -3.8 | 115.3 | L379 E383 L540 A543 E568 Y570 L748 | L379-R572 HydrophobicContact CD1-CB 3.88Å; E383-R572 IonicContact OE1-CZ 3.33Å; E383-R572 IonicContact OE1-NH1 2.66Å; E383-R572 PolarHBondContact OE1-NH1 3.4Å; E383-R572 IonicContact OE1-NH2 2.63Å; E383-R572 PolarHBondContact OE1-NH2 3.47Å; L540-R572 PolarHBondContact O-NH2 3.26Å; A543-R572 WeakPolarHBondContact CB-O 3.27Å; E568-R572 HydrophobicContact CG-CG 4.34Å; E568-R572 VanDerWaalsContact O-CB 3.24Å; E568-R572 WeakPolarHBondContact O-CB 3.32Å; E568-R572 VanDerWaalsContact O-CG 3.3Å; E568-R572 WeakPolarHBondContact O-CG 3.4Å; E568-R572 PolarHBondContact O-N 3.29Å; E568-R572 IonicContact OE1-NH1 3.89Å; Y570-R572 VanDerWaalsContact C-N 3.29Å; Y570-R572 PolarHBondContact O-N 2.96Å; R572-L748 HydrophobicContact CG-CD2 3.88Å |
| 573 | L | 92.6 | Very high | 89.2 | Confident | 1 Ų | 1 | 40.9 Ų | 40.9 | 1% | 0.005 | 23% | 0.227 | C | C | . | . | I | π-helix | trans | -124.1 | -61.2 | -178.3 | 178.3 | 59.4 | 0 | 0 | 0 | 112.1 | L379 A543 I546 L550 L558 L569 L577 | L379-L573 HydrophobicContact CD2-CB 4.32Å; A543-L573 HydrophobicContact CB-CD1 4.21Å; I546-L573 HydrophobicContact CB-CD1 3.8Å; I546-L573 HydrophobicContact CD1-CD1 3.85Å; I546-L573 HydrophobicContact CD1-CD2 4.35Å; I546-L573 HydrophobicContact CG1-CD1 4.29Å; I546-L573 HydrophobicContact CG2-CD1 3.98Å; L550-L573 HydrophobicContact CD1-CD1 3.95Å; L550-L573 HydrophobicContact CD1-CG 4.21Å; L558-L573 HydrophobicContact CD1-CD2 4.28Å; L569-L573 WeakPolarHBondContact O-CA 3.45Å; L569-L573 WeakPolarHBondContact O-CB 3.35Å; L569-L573 PolarHBondContact O-N 2.99Å; L573-L577 HydrophobicContact CD1-CD1 3.84Å; L573-L577 WeakPolarHBondContact O-CD1 2.89Å; L573-L577 VanDerWaalsContact O-CG 3.23Å; L573-L577 WeakPolarHBondContact O-CG 3.44Å; L573-L577 PolarHBondContact O-N 3.24Å |
| 574 | F | 92.8 | Very high | 89.7 | Confident | 1 Ų | 1 | 41.3 Ų | 41.3 | 0% | 0.004 | 23% | 0.23 | C | C | . | . | I | π-helix | trans | -76.9 | -46.2 | -168.3 | -63.1 | -56.8 | 0 | 0 | 0 | 113.9 | V62 I64 L550 L558 L569 Y570 L577 G578 V579 I584 | V62-F574 HydrophobicContact CG1-CE1 3.71Å; V62-F574 HydrophobicContact CG1-CZ 3.79Å; I64-F574 HydrophobicContact CD1-CD2 4.39Å; I64-F574 HydrophobicContact CD1-CE2 3.62Å; I64-F574 HydrophobicContact CD1-CZ 4.36Å; I64-F574 HydrophobicContact CG1-CE2 4.12Å; I64-F574 HydrophobicContact CG1-CZ 4.39Å; L550-F574 HydrophobicContact CD1-CD1 4.45Å; L550-F574 HydrophobicContact CD1-CE1 4.29Å; L550-F574 HydrophobicContact CD2-CE1 4.16Å; L558-F574 HydrophobicContact CD1-CE2 4.32Å; L558-F574 HydrophobicContact CD1-CZ 3.72Å; L569-F574 HydrophobicContact CB-CE2 4.31Å; L569-F574 PolarHBondContact O-N 2.89Å; Y570-F574 HydrophobicContact CD1-CB 4.3Å; Y570-F574 AromaticContact CD1-CD2 3.89Å; Y570-F574 HydrophobicContact CD1-CD2 3.89Å; Y570-F574 HydrophobicContact CE1-CD2 4.19Å; Y570-F574 HydrophobicContact CG-CD2 4.41Å; Y570-F574 PolarHBondContact O-N 3.36Å; F574-L577 PolarHBondContact O-N 3.49Å; F574-G578 PolarHBondContact O-N 3.23Å; F574-V579 HydrophobicContact CB-CB 4.3Å; F574-V579 HydrophobicContact CD1-CB 4.3Å; F574-V579 HydrophobicContact CD1-CG1 4.38Å; F574-V579 HydrophobicContact CD1-CG2 4.32Å; F574-V579 PolarHBondContact O-N 3.17Å; F574-I584 HydrophobicContact CB-CD1 3.67Å; F574-I584 HydrophobicContact CD1-CD1 3.91Å; F574-I584 HydrophobicContact CD2-CD1 3.94Å; F574-I584 HydrophobicContact CG-CD1 3.55Å |
| 575 | I | 90.6 | Very high | 90.1 | Very high | 73 Ų | 73 | 41.4 Ų | 41.4 | 37% | 0.374 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -46.1 | -179 | -59 | 171.1 | 0 | 0 | 0 | 111 | Y570 L577 G578 F752 | Y570-I575 WeakPolarHBondContact O-CB 3.44Å; Y570-I575 WeakPolarHBondContact O-CG1 3.48Å; Y570-I575 PolarHBondContact O-N 3.18Å; I575-L577 PolarHBondContact O-N 3.23Å; I575-G578 PolarHBondContact O-N 3.39Å; I575-F752 HydrophobicContact CB-CZ 4.19Å; I575-F752 HydrophobicContact CG2-CE1 3.83Å; I575-F752 HydrophobicContact CG2-CE2 4.32Å; I575-F752 HydrophobicContact CG2-CZ 3.43Å; I575-F752 VanDerWaalsContact CG2-CZ 3.43Å |
| 576 | P | 88.5 | Confident | 90.4 | Very high | 50 Ų | 50 | 44.6 Ų | 44.6 | 33% | 0.325 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -28.6 | 177 | -26.5 | 36.5 | 0 | 0 | 0 | 114.3 | A543 D571 G578 | A543-P576 HydrophobicContact CB-CB 4.05Å; D571-P576 VanDerWaalsContact O-CD 3.31Å; D571-P576 WeakPolarHBondContact O-CD 3.39Å; D571-P576 WeakPolarHBondContact O-CG 3.36Å; P576-G578 VanDerWaalsContact C-N 3.34Å |
| 577 | L | 90.1 | Very high | 90.6 | Very high | 38 Ų | 38 | 45.6 Ų | 45.6 | 20% | 0.199 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | -3.5 | 176.6 | -65.3 | 178.8 | 0 | 0 | 0 | 113.6 | A543 D547 L550 L573 F574 I575 V579 | A543-L577 HydrophobicContact CB-CD1 4.16Å; A543-L577 HydrophobicContact CB-CD2 3.94Å; A543-L577 HydrophobicContact CB-CG 3.76Å; D547-L577 HydrophobicContact CB-CD1 4.32Å; D547-L577 HydrophobicContact CB-CD2 3.67Å; L550-L577 HydrophobicContact CD1-CD1 3.47Å; L550-L577 VanDerWaalsContact CD1-CD1 3.47Å; L573-L577 HydrophobicContact CD1-CD1 3.84Å; L573-L577 WeakPolarHBondContact O-CD1 2.89Å; L573-L577 VanDerWaalsContact O-CG 3.23Å; L573-L577 WeakPolarHBondContact O-CG 3.44Å; L573-L577 PolarHBondContact O-N 3.24Å; F574-L577 PolarHBondContact O-N 3.49Å; I575-L577 PolarHBondContact O-N 3.23Å; L577-V579 VanDerWaalsContact C-N 3.27Å; L577-V579 HydrophobicContact CB-CG2 4.01Å; L577-V579 PolarHBondContact O-N 2.9Å |
| 578 | G | 89.5 | Confident | 90.5 | Very high | 60 Ų | 60 | 41.5 Ų | 41.5 | 62% | 0.619 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 66.7 | 27.1 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | F574 I575 P576 P580 | F574-G578 PolarHBondContact O-N 3.23Å; I575-G578 PolarHBondContact O-N 3.39Å; P576-G578 VanDerWaalsContact C-N 3.34Å; G578-P580 WeakPolarHBondContact O-CD 3.5Å |
| 579 | V | 90.6 | Very high | 90.3 | Very high | 18 Ų | 18 | 41.3 Ų | 41.3 | 11% | 0.109 | 24% | 0.242 | C | C | . | . | trans | -70.5 | 120.7 | 176.9 | -178.9 | 0 | 0 | 0 | 0 | 108.5 | F574 L577 R583 I584 | F574-V579 HydrophobicContact CB-CB 4.3Å; F574-V579 HydrophobicContact CD1-CB 4.3Å; F574-V579 HydrophobicContact CD1-CG1 4.38Å; F574-V579 HydrophobicContact CD1-CG2 4.32Å; F574-V579 PolarHBondContact O-N 3.17Å; L577-V579 VanDerWaalsContact C-N 3.27Å; L577-V579 HydrophobicContact CB-CG2 4.01Å; L577-V579 PolarHBondContact O-N 2.9Å; V579-R583 HydrophobicContact CG1-CB 4.38Å; V579-I584 HydrophobicContact CB-CD1 4.48Å; V579-I584 HydrophobicContact CG1-CD1 3.96Å; V579-I584 HydrophobicContact CG1-CG1 3.93Å | ||
| 580 | P | 89.7 | Confident | 89.6 | Confident | 72 Ų | 72 | 44.2 Ų | 44.2 | 47% | 0.468 | 26% | 0.263 | S | S | . | . | trans | -68.2 | 140.3 | -178.7 | 27.6 | -33.7 | 0 | 0 | 0 | 110.5 | G578 S582 R583 | G578-P580 WeakPolarHBondContact O-CD 3.5Å; P580-S582 PolarHBondContact O-N 3.11Å; P580-S582 VanDerWaalsContact O-N 3.13Å; P580-R583 HydrophobicContact CG-CB 4.03Å; P580-R583 WeakPolarHBondContact O-CB 3.32Å; P580-R583 PolarHBondContact O-N 2.93Å | ||
| 581 | M | 88.5 | Confident | 88.9 | Confident | 113 Ų | 113 | 43.7 Ų | 43.7 | 56% | 0.557 | 26% | 0.262 | S | S | * | . | G | 310 helix | trans | -58.9 | -27.8 | 179.8 | -66.6 | -62.5 | -70.3 | 0 | 0 | 112.8 | Y570 R583 I584 | Y570-M581 HydrophobicContact CD1-CE 3.87Å; Y570-M581 HydrophobicContact CD1-SD 3.71Å; Y570-M581 HydrophobicContact CE1-CE 3.39Å; Y570-M581 HydrophobicContact CE1-SD 3.63Å; M581-R583 PolarHBondContact O-N 2.88Å; M581-I584 PolarHBondContact O-N 2.69Å; M581-I584 HydrophobicContact SD-CD1 4.16Å |
| 582 | S | 89.4 | Confident | 88.2 | Confident | 107 Ų | 107 | 44.8 Ų | 44.8 | 75% | 0.748 | 27% | 0.269 | S | S | * | . | G | 310 helix | trans | -64.6 | -20.4 | 174.6 | 56 | 0 | 0 | 0 | 0 | 114 | P580 | P580-S582 PolarHBondContact O-N 3.11Å; P580-S582 VanDerWaalsContact O-N 3.13Å |
| 583 | R | 91.2 | Very high | 87.7 | Confident | 59 Ų | 59 | 44.7 Ų | 44.7 | 22% | 0.223 | 27% | 0.269 | C | S | . | . | G | 310 helix | trans | -85.8 | -10.9 | 173.9 | -171.7 | 176.2 | 170.4 | -152.3 | -8.6 | 112.2 | N61 V62 L550 V579 P580 M581 | N61-R583 HydrophobicContact CB-CG 4.42Å; N61-R583 VanDerWaalsContact CB-O 3.24Å; N61-R583 WeakPolarHBondContact CB-O 3.45Å; V62-R583 PolarHBondContact N-O 2.85Å; L550-R583 PolarHBondContact O-NH1 2.89Å; L550-R583 PolarHBondContact O-NH2 3.13Å; V579-R583 HydrophobicContact CG1-CB 4.38Å; P580-R583 HydrophobicContact CG-CB 4.03Å; P580-R583 WeakPolarHBondContact O-CB 3.32Å; P580-R583 PolarHBondContact O-N 2.93Å; M581-R583 PolarHBondContact O-N 2.88Å |
| 584 | I | 92.7 | Very high | 87.3 | Confident | 18 Ų | 18 | 47.8 Ų | 47.8 | 9% | 0.092 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 116.5 | -174.5 | -53.9 | 171 | 0 | 0 | 0 | 109.6 | V62 I64 Y570 F574 V579 M581 | V62-I584 HydrophobicContact CB-CG1 4.46Å; V62-I584 CarbonylContact O-C 3.08Å; V62-I584 WeakPolarHBondContact O-CA 3.46Å; I64-I584 HydrophobicContact CD1-CG2 4Å; I64-I584 HydrophobicContact CG1-CG2 4.22Å; Y570-I584 HydrophobicContact CD1-CD1 4.23Å; Y570-I584 HydrophobicContact CE1-CB 4.49Å; Y570-I584 HydrophobicContact CE1-CD1 3.82Å; Y570-I584 HydrophobicContact CE1-CG2 3.94Å; F574-I584 HydrophobicContact CB-CD1 3.67Å; F574-I584 HydrophobicContact CD1-CD1 3.91Å; F574-I584 HydrophobicContact CD2-CD1 3.94Å; F574-I584 HydrophobicContact CG-CD1 3.55Å; V579-I584 HydrophobicContact CB-CD1 4.48Å; V579-I584 HydrophobicContact CG1-CD1 3.96Å; V579-I584 HydrophobicContact CG1-CG1 3.93Å; M581-I584 PolarHBondContact O-N 2.69Å; M581-I584 HydrophobicContact SD-CD1 4.16Å |
| 585 | T | 93.3 | Very high | 87.1 | Confident | 42 Ų | 42 | 51.8 Ų | 51.8 | 26% | 0.258 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 121 | 171.5 | -53.5 | 0 | 0 | 0 | 0 | 108.9 | T52 V62 A63 I64 | T52-T585 HydrophobicContact CG2-CG2 3.66Å; V62-T585 PolarHBondContact O-N 2.8Å; A63-T585 CarbonylContact C-O 3.6Å; A63-T585 VanDerWaalsContact CA-O 3.24Å; A63-T585 WeakPolarHBondContact CA-O 3.23Å; I64-T585 PolarHBondContact N-O 2.93Å |
| 586 | H | 91.9 | Very high | 87 | Confident | 79 Ų | 79 | 52.5 Ų | 52.5 | 37% | 0.366 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 126.2 | 172.9 | 178.9 | -136.2 | 0 | 0 | 0 | 110.4 | I64 | I64-H586 WeakPolarHBondContact O-CA 3.37Å |
| 587 | L | 90.5 | Very high | 87.2 | Confident | 27 Ų | 27 | 50.5 Ų | 50.5 | 14% | 0.141 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 125.6 | 173.8 | 178 | 69.7 | 0 | 0 | 0 | 109.4 | M48 F49 T52 I64 M65 E66 | M48-L587 HydrophobicContact CG-CD1 4.15Å; F49-L587 HydrophobicContact CB-CD2 4.27Å; F49-L587 HydrophobicContact CD2-CD2 4.24Å; T52-L587 HydrophobicContact CG2-CB 4.24Å; T52-L587 HydrophobicContact CG2-CD2 4.17Å; I64-L587 PolarHBondContact O-N 2.85Å; M65-L587 CarbonylContact C-O 3.58Å; M65-L587 WeakPolarHBondContact CA-O 3.5Å; M65-L587 HydrophobicContact CG-CB 4.43Å; E66-L587 PolarHBondContact N-O 2.88Å |
| 588 | S | 85.7 | Confident | 87.3 | Confident | 37 Ų | 37 | 49.1 Ų | 49.1 | 26% | 0.259 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 116.7 | 168.7 | -175.9 | 0 | 0 | 0 | 0 | 108.9 | ||
| 589 | C | 83.3 | Confident | 87.5 | Confident | 9 Ų | 9 | 47.3 Ų | 47.3 | 6% | 0.061 | 28% | 0.278 | C | S | . | . | P | Polyproline II helix | trans | -86.7 | 133.1 | 178.5 | -69.1 | 0 | 0 | 0 | 0 | 110.7 | N45 E66 P68 | N45-C589 HydrophobicContact CB-CB 4.36Å; E66-C589 WeakPolarHBondContact O-CB 3.27Å; E66-C589 PolarHBondContact O-N 3.37Å; P68-C589 WeakPolarHBondContact CD-O 3.42Å; P68-C589 WeakPolarHBondContact CG-O 3.4Å |
| 590 | S | 77.8 | Confident | 87.8 | Confident | 68 Ų | 68 | 46.5 Ų | 46.5 | 48% | 0.476 | 27% | 0.273 | S | S | . | . | P | Polyproline II helix | trans | -63.7 | 160.5 | 169.9 | -54.6 | 0 | 0 | 0 | 0 | 111.8 | N45 | N45-S590 PolarHBondContact ND2-O 3.41Š|
| 591 | H | 75.8 | Confident | 88.1 | Confident | 22 Ų | 22 | 43.1 Ų | 43.1 | 10% | 0.102 | 25% | 0.251 | C | S | . | . | P | Polyproline II helix | trans | -65.1 | 153.5 | 172.3 | -152.1 | -71.5 | 0 | 0 | 0 | 111.1 | V593 I775 W803 | H591-V593 VanDerWaalsContact C-N 3.25Å; H591-V593 WeakPolarHBondContact CE1-CG2 3.44Å; H591-V593 VanDerWaalsContact ND1-CB 3.29Å; H591-V593 WeakPolarHBondContact ND1-CB 3.36Å; H591-V593 VanDerWaalsContact ND1-CG2 3.29Å; H591-V593 WeakPolarHBondContact ND1-CG2 3.38Å; H591-V593 PolarHBondContact ND1-N 2.89Å; H591-V593 VanDerWaalsContact ND1-N 3.13Å; H591-I775 WeakPolarHBondContact CE1-CG2 3.19Å; H591-I775 WeakPolarHBondContact NE2-CG2 3.4Å; H591-W803 HydrophobicContact CB-CB 4.39Å; H591-W803 HydrophobicContact CB-CD2 4.33Å; H591-W803 HydrophobicContact CB-CG 4.26Å |
| 592 | V | 75.3 | Confident | 88.5 | Confident | 37 Ų | 37 | 37.9 Ų | 37.9 | 22% | 0.224 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -84.5 | -1.1 | 176.5 | -176 | 0 | 0 | 0 | 0 | 111.9 | Y43 T71 | Y43-V592 HydrophobicContact CD1-CG1 4.03Å; Y43-V592 HydrophobicContact CD2-CG1 4.11Å; Y43-V592 HydrophobicContact CD2-CG2 4.13Å; Y43-V592 HydrophobicContact CE1-CG1 4.07Å; Y43-V592 HydrophobicContact CE2-CG1 4.14Å; Y43-V592 HydrophobicContact CG-CG1 4.06Å; Y43-V592 HydrophobicContact CG-CG2 4.41Å; T71-V592 HydrophobicContact CG2-CB 4.49Å; T71-V592 HydrophobicContact CG2-CG2 3.71Å |
| 593 | V | 81.7 | Confident | 88.8 | Confident | 7 Ų | 7 | 33 Ų | 33 | 4% | 0.042 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -97.2 | 140.1 | -174.1 | 165.9 | 0 | 0 | 0 | 0 | 108.1 | H591 I598 I775 H777 | H591-V593 VanDerWaalsContact C-N 3.25Å; H591-V593 WeakPolarHBondContact CE1-CG2 3.44Å; H591-V593 VanDerWaalsContact ND1-CB 3.29Å; H591-V593 WeakPolarHBondContact ND1-CB 3.36Å; H591-V593 VanDerWaalsContact ND1-CG2 3.29Å; H591-V593 WeakPolarHBondContact ND1-CG2 3.38Å; H591-V593 PolarHBondContact ND1-N 2.89Å; H591-V593 VanDerWaalsContact ND1-N 3.13Å; V593-I598 HydrophobicContact CB-CD1 4.46Å; V593-I598 HydrophobicContact CG1-CD1 4.13Å; V593-I598 HydrophobicContact CG1-CG1 4Å; V593-I775 HydrophobicContact CB-CG2 4.35Å; V593-I775 HydrophobicContact CG2-CG2 3.68Å; V593-H777 WeakPolarHBondContact CG2-O 3.49Å |
| 594 | P | 85.3 | Confident | 89 | Confident | 66 Ų | 66 | 31.3 Ų | 31.3 | 43% | 0.429 | 19% | 0.187 | S | C | . | . | trans | -64.9 | 148.4 | 177.7 | 27.5 | -35.9 | 0 | 0 | 0 | 111.3 | S596 S597 | P594-S596 PolarHBondContact O-N 3.12Å; P594-S597 WeakPolarHBondContact O-CB 3.48Å; P594-S597 PolarHBondContact O-N 3Å | ||
| 595 | D | 88 | Confident | 89.1 | Confident | 86 Ų | 86 | 33.1 Ų | 33.1 | 46% | 0.46 | 20% | 0.197 | S | C | . | . | G | 310 helix | trans | -51.6 | -31.5 | 177.9 | -72.3 | 2.3 | 0 | 0 | 0 | 113.1 | S597 I598 H806 L807 | D595-S597 PolarHBondContact O-N 3.21Å; D595-I598 PolarHBondContact O-N 3.04Å; D595-H806 IonicContact OD1-NE2 2.71Å; D595-H806 PolarHBondContact OD1-NE2 2.86Å; D595-H806 IonicContact OD2-CD2 3.36Å; D595-H806 IonicContact OD2-NE2 3.48Å; D595-H806 PolarHBondContact OD2-NE2 2.72Å; D595-L807 HydrophobicContact CB-CD1 4.32Å; D595-L807 HydrophobicContact CB-CD2 3.73Å |
| 596 | S | 89.1 | Confident | 89 | Confident | 87 Ų | 87 | 31.3 Ų | 31.3 | 61% | 0.608 | 19% | 0.187 | S | C | * | . | G | 310 helix | trans | -67 | -16.7 | 177.7 | 59 | 0 | 0 | 0 | 0 | 115 | P594 F824 | P594-S596 PolarHBondContact O-N 3.12Å; S596-F824 WeakPolarHBondContact O-CE2 3.33Å |
| 597 | S | 90.9 | Very high | 89.1 | Confident | 8 Ų | 8 | 30 Ų | 30 | 6% | 0.056 | 19% | 0.185 | C | C | . | . | G | 310 helix | trans | -93.1 | 1.6 | -179.4 | -71.3 | 0 | 0 | 0 | 0 | 113.4 | P594 D595 D780 F781 A782 F824 | P594-S597 WeakPolarHBondContact O-CB 3.48Å; P594-S597 PolarHBondContact O-N 3Å; D595-S597 PolarHBondContact O-N 3.21Å; S597-D780 WeakPolarHBondContact CB-O 3.37Å; S597-F781 WeakPolarHBondContact O-CA 3.29Å; S597-F781 VanDerWaalsContact O-CB 3.31Å; S597-F781 WeakPolarHBondContact O-CB 3.39Å; S597-A782 PolarHBondContact O-N 2.78Å; S597-A782 VanDerWaalsContact O-N 3.1Å; S597-F824 WeakPolarHBondContact O-CZ 3.1Å |
| 598 | I | 92.5 | Very high | 89.2 | Confident | 10 Ų | 10 | 32.2 Ų | 32.2 | 5% | 0.051 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 122.8 | -176.8 | -48.8 | -177.7 | 0 | 0 | 0 | 108.1 | V593 D595 I775 L784 W803 L804 L807 | V593-I598 HydrophobicContact CB-CD1 4.46Å; V593-I598 HydrophobicContact CG1-CD1 4.13Å; V593-I598 HydrophobicContact CG1-CG1 4Å; D595-I598 PolarHBondContact O-N 3.04Å; I598-I775 HydrophobicContact CB-CD1 4.44Å; I598-I775 HydrophobicContact CD1-CD1 3.42Å; I598-I775 VanDerWaalsContact CD1-CD1 3.42Å; I598-I775 HydrophobicContact CG1-CD1 3.54Å; I598-I775 HydrophobicContact CG2-CD1 4.2Å; I598-L784 HydrophobicContact CG2-CD1 4.38Å; I598-W803 HydrophobicContact CD1-CE3 3.65Å; I598-W803 HydrophobicContact CD1-CZ3 3.53Å; I598-W803 HydrophobicContact CG2-CZ3 3.8Å; I598-L804 HydrophobicContact CG2-CD2 3.85Å; I598-L807 HydrophobicContact CB-CD1 4.13Å; I598-L807 HydrophobicContact CG2-CD1 4.39Å |
| 599 | L | 95.1 | Very high | 89.4 | Confident | 22 Ų | 22 | 32.8 Ų | 32.8 | 12% | 0.115 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 92.8 | 176 | 179.8 | 61.6 | 0 | 0 | 0 | 110.9 | L601 A782 S783 L784 A820 L821 F824 | L599-L601 HydrophobicContact CD1-CD2 3.81Å; L599-L601 HydrophobicContact CD1-CG 4.3Å; L599-L601 HydrophobicContact CD2-CD1 4.18Å; L599-L601 HydrophobicContact CD2-CD2 4.37Å; L599-L601 HydrophobicContact CD2-CG 4.29Å; L599-L601 HydrophobicContact CG-CD1 4.39Å; L599-L601 HydrophobicContact CG-CD2 4.02Å; L599-L601 HydrophobicContact CG-CG 3.96Å; L599-A782 PolarHBondContact N-O 2.94Å; L599-S783 CarbonylContact O-C 3.52Å; L599-S783 VanDerWaalsContact O-CA 3.31Å; L599-S783 WeakPolarHBondContact O-CA 2.96Å; L599-L784 PolarHBondContact O-N 3.49Å; L599-A820 HydrophobicContact CD2-CB 4.3Å; L599-L821 HydrophobicContact CD2-CD2 4.08Å; L599-F824 HydrophobicContact CB-CB 4.5Å; L599-F824 HydrophobicContact CB-CD1 4.24Å; L599-F824 HydrophobicContact CB-CD2 3.67Å; L599-F824 HydrophobicContact CB-CE1 4.38Å; L599-F824 HydrophobicContact CB-CE2 3.81Å; L599-F824 HydrophobicContact CB-CG 3.89Å; L599-F824 HydrophobicContact CB-CZ 4.17Å; L599-F824 HydrophobicContact CD2-CB 3.55Å; L599-F824 HydrophobicContact CD2-CD1 4.36Å; L599-F824 HydrophobicContact CD2-CD2 4.29Å; L599-F824 HydrophobicContact CD2-CG 3.83Å; L599-F824 HydrophobicContact CG-CG 4.49Å |
| 600 | P | 95.4 | Very high | 89.8 | Confident | 1 Ų | 1 | 35.6 Ų | 35.6 | 1% | 0.006 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 118.3 | 171.7 | 29.1 | -24.5 | 0 | 0 | 0 | 111.4 | L784 F786 L804 L807 I808 C809 | P600-L784 CarbonylContact C-O 3.56Å; P600-L784 WeakPolarHBondContact CA-O 3.48Å; P600-L784 HydrophobicContact CB-CB 4.34Å; P600-F786 HydrophobicContact CB-CE2 4.17Å; P600-L804 HydrophobicContact CB-CD2 4.14Å; P600-L804 HydrophobicContact CG-CD2 4.02Å; P600-L807 VanDerWaalsContact CG-C 3.5Å; P600-L807 HydrophobicContact CG-CB 3.57Å; P600-L807 WeakPolarHBondContact CG-O 3.46Å; P600-I808 HydrophobicContact CB-CG1 4.3Å; P600-I808 HydrophobicContact CG-CG1 4.35Å; P600-C809 PolarHBondContact O-N 3.4Å |
| 601 | L | 96.4 | Very high | 90.6 | Very high | 1 Ų | 1 | 37.9 Ų | 37.9 | 1% | 0.005 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 129.7 | 178.6 | -62.7 | -178.6 | 0 | 0 | 0 | 110.6 | L599 L784 V785 F786 C809 P811 A817 A820 L821 | L599-L601 HydrophobicContact CD1-CD2 3.81Å; L599-L601 HydrophobicContact CD1-CG 4.3Å; L599-L601 HydrophobicContact CD2-CD1 4.18Å; L599-L601 HydrophobicContact CD2-CD2 4.37Å; L599-L601 HydrophobicContact CD2-CG 4.29Å; L599-L601 HydrophobicContact CG-CD1 4.39Å; L599-L601 HydrophobicContact CG-CD2 4.02Å; L599-L601 HydrophobicContact CG-CG 3.96Å; L601-L784 PolarHBondContact N-O 3.39Å; L601-V785 CarbonylContact O-C 3.56Å; L601-V785 WeakPolarHBondContact O-CA 3.09Å; L601-F786 PolarHBondContact O-N 3.3Å; L601-C809 WeakPolarHBondContact CA-O 3.4Å; L601-C809 HydrophobicContact CD2-CB 3.87Å; L601-P811 HydrophobicContact CD2-CG 4.07Å; L601-A817 HydrophobicContact CD1-CB 4.4Å; L601-A820 HydrophobicContact CD1-CB 4.49Å; L601-A820 HydrophobicContact CD2-CB 4.34Å; L601-L821 HydrophobicContact CD1-CD1 4.19Å; L601-L821 HydrophobicContact CD1-CD2 3.74Å; L601-L821 HydrophobicContact CD1-CG 3.61Å |
| 602 | V | 96.3 | Very high | 91.5 | Very high | 3 Ų | 3 | 36.8 Ų | 36.8 | 2% | 0.018 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 113.1 | 168.1 | 172.6 | 0 | 0 | 0 | 0 | 108.6 | T604 F786 I808 C809 I810 P811 | V602-T604 HydrophobicContact CG1-CG2 4.26Å; V602-F786 WeakPolarHBondContact CA-O 3.5Å; V602-F786 HydrophobicContact CG2-CB 4.1Å; V602-F786 HydrophobicContact CG2-CD2 4.44Å; V602-I808 HydrophobicContact CG2-CG2 3.76Å; V602-C809 PolarHBondContact N-O 3.17Å; V602-I810 HydrophobicContact CB-CG1 4.07Å; V602-I810 HydrophobicContact CG1-CG1 4.42Å; V602-P811 WeakPolarHBondContact O-CD 2.94Å |
| 603 | I | 96.1 | Very high | 92.3 | Very high | 5 Ų | 5 | 38 Ų | 38 | 3% | 0.026 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 111.9 | 179.3 | -60.5 | -178.8 | 0 | 0 | 0 | 109.2 | N605 L631 V785 F786 L787 F814 A817 | I603-N605 VanDerWaalsContact CG2-O 3.25Å; I603-N605 WeakPolarHBondContact CG2-O 3.37Å; I603-L631 HydrophobicContact CD1-CD1 4.23Å; I603-L631 HydrophobicContact CG2-CD1 4.1Å; I603-V785 HydrophobicContact CD1-CG1 3.47Å; I603-V785 VanDerWaalsContact CD1-CG1 3.47Å; I603-V785 HydrophobicContact CG1-CG1 4.01Å; I603-F786 PolarHBondContact N-O 2.8Å; I603-L787 HydrophobicContact CB-CD1 3.71Å; I603-L787 HydrophobicContact CG2-CD1 3.67Å; I603-F814 HydrophobicContact CD1-CD2 4.14Å; I603-F814 HydrophobicContact CD1-CE2 4.1Å; I603-F814 HydrophobicContact CG2-CD2 4.23Å; I603-A817 HydrophobicContact CD1-CB 4.17Å; I603-A817 HydrophobicContact CG1-CB 4.18Å |
| 604 | T | 95.2 | Very high | 92.9 | Very high | 23 Ų | 23 | 38.3 Ų | 38.3 | 14% | 0.141 | 22% | 0.221 | C | C | . | . | trans | -91.5 | -26.9 | -178.3 | 56 | 0 | 0 | 0 | 0 | 113.4 | V602 M612 I810 | V602-T604 HydrophobicContact CG1-CG2 4.26Å; T604-M612 WeakPolarHBondContact O-CB 3.38Å; T604-M612 PolarHBondContact O-N 2.92Å; T604-I810 HydrophobicContact CG2-CG2 3.94Å | ||
| 605 | N | 94.8 | Very high | 93.2 | Very high | 56 Ų | 56 | 36.6 Ų | 36.6 | 30% | 0.299 | 21% | 0.21 | S | C | . | . | B | Isolated β-bridge | trans | -132.4 | 142 | -176.1 | -68.5 | 67 | 0 | 0 | 0 | 110.6 | I603 G609 H610 | I603-N605 VanDerWaalsContact CG2-O 3.25Å; I603-N605 WeakPolarHBondContact CG2-O 3.37Å; N605-G609 PolarHBondContact ND2-O 2.64Å; N605-H610 WeakPolarHBondContact CA-O 3.5Å |
| 606 | G | 92.6 | Very high | 93.1 | Very high | 4 Ų | 4 | 41.5 Ų | 41.5 | 4% | 0.041 | 22% | 0.223 | C | C | . | . | trans | -83.2 | 175.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | L608 G609 H610 D627 | G606-L608 PolarHBondContact O-N 3.23Å; G606-G609 PolarHBondContact O-N 2.96Å; G606-H610 PolarHBondContact N-O 3.01Å; G606-D627 VanDerWaalsContact C-OD1 3.31Å | ||
| 607 | P | 92.6 | Very high | 93 | Very high | 50 Ų | 50 | 42.6 Ų | 42.6 | 33% | 0.325 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -26.1 | 179.1 | 20.6 | -32.4 | 0 | 0 | 0 | 115.4 | G609 D627 K630 L631 F814 | P607-G609 VanDerWaalsContact C-N 3.33Å; P607-D627 WeakPolarHBondContact CD-OD1 3.22Å; P607-D627 WeakPolarHBondContact CG-O 3.37Å; P607-D627 WeakPolarHBondContact CG-OD1 3.42Å; P607-D627 VanDerWaalsContact N-OD1 3.1Å; P607-K630 HydrophobicContact CB-CB 4.47Å; P607-K630 HydrophobicContact CG-CB 3.62Å; P607-L631 HydrophobicContact CG-CB 4.32Å; P607-F814 HydrophobicContact CB-CD1 3.59Å; P607-F814 HydrophobicContact CB-CE1 3.85Å; P607-F814 HydrophobicContact CB-CG 4.43Å; P607-F814 HydrophobicContact CG-CD1 4.27Å; P607-F814 HydrophobicContact CG-CE1 4.27Å |
| 608 | L | 92.8 | Very high | 93 | Very high | 74 Ų | 74 | 43.7 Ų | 43.7 | 39% | 0.387 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | 3.2 | 177 | -52.2 | 171.5 | 0 | 0 | 0 | 112.4 | G606 D626 D627 K630 | G606-L608 PolarHBondContact O-N 3.23Å; L608-D626 HydrophobicContact CD1-CB 4.28Å; L608-D627 WeakPolarHBondContact CA-OD1 3.28Å; L608-D627 WeakPolarHBondContact CB-OD1 3.49Å; L608-D627 VanDerWaalsContact CG-OD1 3.28Å; L608-D627 WeakPolarHBondContact CG-OD1 3.47Å; L608-D627 PolarHBondContact N-OD1 2.66Å; L608-K630 HydrophobicContact CD1-CD 3.99Å; L608-K630 HydrophobicContact CD2-CD 3.75Å; L608-K630 HydrophobicContact CG-CD 3.98Å |
| 609 | G | 90.2 | Very high | 92.9 | Very high | 49 Ų | 49 | 44.7 Ų | 44.7 | 51% | 0.505 | 24% | 0.241 | S | C | . | . | S | Bend | trans | 87.3 | -6.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | N605 G606 P607 | N605-G609 PolarHBondContact ND2-O 2.64Å; G606-G609 PolarHBondContact O-N 2.96Å; P607-G609 VanDerWaalsContact C-N 3.33Å |
| 610 | H | 93 | Very high | 92.7 | Very high | 69 Ų | 69 | 46.6 Ų | 46.6 | 32% | 0.319 | 26% | 0.256 | S | S | . | . | trans | -70.8 | 147.4 | 178 | -46.4 | 95.2 | 0 | 0 | 0 | 111 | N605 G606 M612 D627 | N605-H610 WeakPolarHBondContact CA-O 3.5Å; G606-H610 PolarHBondContact N-O 3.01Å; H610-M612 HydrophobicContact CB-CE 4.31Å; H610-M612 WeakPolarHBondContact O-CE 3.39Å; H610-M612 PolarHBondContact O-N 3.09Å; H610-D627 WeakPolarHBondContact CB-OD2 3.28Å; H610-D627 IonicContact CE1-OD2 2.73Å; H610-D627 IonicContact CG-OD2 2.78Å; H610-D627 VanDerWaalsContact CG-OD2 3.3Å; H610-D627 PolarHBondContact N-OD2 3.31Å; H610-D627 IonicContact ND1-OD2 3.94Å; H610-D627 PolarHBondContact ND1-OD2 3.33Å | ||
| 611 | K | 94 | Very high | 92.6 | Very high | 115 Ų | 115 | 48.4 Ų | 48.4 | 50% | 0.5 | 27% | 0.271 | S | S | . | . | B | Isolated β-bridge | trans | -68.1 | 127.7 | 176.4 | -174.7 | -175.7 | 176.2 | -142 | 0 | 109.8 | E613 C789 | K611-E613 IonicContact NZ-OE2 2.71Å; K611-E613 PolarHBondContact NZ-OE2 2.86Å; K611-E613 PolarHBondContact O-N 2.75Å; K611-C789 WeakPolarHBondContact CE-SG 3.22Å; K611-C789 HydrophobicContact CG-CB 4.01Å |
| 612 | M | 93.4 | Very high | 92.5 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 30% | 0.296 | C | S | . | . | trans | -84.1 | 88.3 | -178.3 | -64.8 | -66.1 | 100.3 | 0 | 0 | 110 | T604 H610 F614 L624 D627 L787 D788 C789 | T604-M612 WeakPolarHBondContact O-CB 3.38Å; T604-M612 PolarHBondContact O-N 2.92Å; H610-M612 HydrophobicContact CB-CE 4.31Å; H610-M612 WeakPolarHBondContact O-CE 3.39Å; H610-M612 PolarHBondContact O-N 3.09Å; M612-F614 HydrophobicContact CB-CE2 3.94Å; M612-F614 HydrophobicContact SD-CZ 4.27Å; M612-L624 HydrophobicContact CE-CD1 3.57Å; M612-L624 HydrophobicContact SD-CD1 3.79Å; M612-D627 HydrophobicContact CE-CB 3.31Å; M612-D627 WeakPolarHBondContact CE-OD2 3.27Å; M612-D627 HydrophobicContact SD-CB 4.04Å; M612-L787 HydrophobicContact CB-CD1 4.27Å; M612-L787 HydrophobicContact CG-CD1 3.99Å; M612-L787 HydrophobicContact SD-CD1 4.44Å; M612-D788 CarbonylContact O-C 3.58Å; M612-D788 WeakPolarHBondContact O-CA 3.16Å; M612-C789 WeakPolarHBondContact O-CB 3.37Å; M612-C789 PolarHBondContact O-N 2.69Å; M612-C789 PolarHBondContact O-SG 3.01Å | ||
| 613 | E | 93.9 | Very high | 92.3 | Very high | 62 Ų | 62 | 58 Ų | 58 | 29% | 0.29 | 32% | 0.322 | S | S | . | . | trans | -122.4 | 107.5 | -179.7 | -177.1 | 161 | -164.6 | 0 | 0 | 110.6 | K611 T615 S618 L624 | K611-E613 IonicContact NZ-OE2 2.71Å; K611-E613 PolarHBondContact NZ-OE2 2.86Å; K611-E613 PolarHBondContact O-N 2.75Å; E613-T615 HydrophobicContact CG-CG2 3.75Å; E613-T615 PolarHBondContact O-N 3.4Å; E613-S618 PolarHBondContact O-OG 3.13Å; E613-L624 VanDerWaalsContact O-CD2 3.3Å; E613-L624 WeakPolarHBondContact O-CD2 3.33Å | ||
| 614 | F | 93.3 | Very high | 92.3 | Very high | 13 Ų | 13 | 58.2 Ų | 58.2 | 6% | 0.057 | 32% | 0.324 | C | S | . | . | trans | -98.5 | 49.3 | -174 | -60.6 | -86.3 | 0 | 0 | 0 | 112.1 | M612 R619 L624 L628 Y652 I729 L787 D788 R790 | M612-F614 HydrophobicContact CB-CE2 3.94Å; M612-F614 HydrophobicContact SD-CZ 4.27Å; F614-R619 HydrophobicContact CB-CB 4.48Å; F614-L624 HydrophobicContact CD1-CD2 3.94Å; F614-L624 HydrophobicContact CD1-CG 4.4Å; F614-L624 HydrophobicContact CE1-CD1 4.09Å; F614-L624 HydrophobicContact CE1-CD2 4.02Å; F614-L624 HydrophobicContact CE1-CG 3.97Å; F614-L624 HydrophobicContact CE2-CD1 4.5Å; F614-L624 HydrophobicContact CZ-CD1 4Å; F614-L624 HydrophobicContact CZ-CG 4.39Å; F614-L628 HydrophobicContact CE1-CD2 4.18Å; F614-L628 HydrophobicContact CZ-CD1 4.45Å; F614-Y652 HydrophobicContact CD1-CE1 4.35Å; F614-Y652 WeakPolarHBondContact CD1-OH 3.36Å; F614-Y652 WeakPolarHBondContact CE1-OH 3.25Å; F614-I729 HydrophobicContact CD1-CG2 4.08Å; F614-I729 HydrophobicContact CE1-CG2 3.84Å; F614-I729 HydrophobicContact CZ-CG2 4.09Å; F614-L787 WeakPolarHBondContact CD2-O 3.39Å; F614-L787 HydrophobicContact CE2-CD2 4.27Å; F614-L787 HydrophobicContact CE2-CG 3.75Å; F614-L787 WeakPolarHBondContact CE2-O 3.5Å; F614-L787 HydrophobicContact CZ-CD2 4.04Å; F614-L787 HydrophobicContact CZ-CG 4.03Å; F614-D788 WeakPolarHBondContact CB-OD2 3.11Å; F614-D788 HydrophobicContact CD2-CB 4.29Å; F614-D788 PolarHBondContact N-OD2 2.69Å; F614-D788 VanDerWaalsContact N-OD2 3.09Å; F614-R790 PolarHBondContact O-NH2 2.95Å | ||
| 615 | T | 91.2 | Very high | 92.2 | Very high | 31 Ų | 31 | 57.7 Ų | 57.7 | 19% | 0.19 | 32% | 0.32 | C | S | . | . | trans | -75.2 | 159.8 | 170.2 | 69.2 | 0 | 0 | 0 | 0 | 110.5 | E613 S617 S618 R619 | E613-T615 HydrophobicContact CG-CG2 3.75Å; E613-T615 PolarHBondContact O-N 3.4Å; T615-S617 PolarHBondContact O-N 2.76Å; T615-S617 PolarHBondContact OG1-OG 3.34Å; T615-S618 PolarHBondContact N-OG 3.07Å; T615-S618 PolarHBondContact O-N 2.93Å; T615-S618 VanDerWaalsContact O-N 3.1Å; T615-S618 PolarHBondContact O-OG 3.18Å; T615-S618 PolarHBondContact OG1-N 3.5Å; T615-S618 PolarHBondContact OG1-OG 3.36Å; T615-R619 WeakPolarHBondContact O-CB 3.43Å; T615-R619 WeakPolarHBondContact O-CG 3.4Å; T615-R619 PolarHBondContact O-N 3.03Å | ||
| 616 | Y | 86.5 | Confident | 92.2 | Very high | 188 Ų | 188 | 57.1 Ų | 57.1 | 74% | 0.737 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55 | -37.4 | 178.8 | -175.8 | -95.5 | 0 | 0 | 0 | 112.7 | ||
| 617 | S | 87 | Confident | 92.3 | Very high | 110 Ų | 110 | 56.9 Ų | 56.9 | 77% | 0.769 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71 | -31.6 | 178.3 | 37.8 | 0 | 0 | 0 | 0 | 114.4 | T615 | T615-S617 PolarHBondContact O-N 2.76Å; T615-S617 PolarHBondContact OG1-OG 3.34Å |
| 618 | S | 90.1 | Very high | 92.5 | Very high | 31 Ų | 31 | 54.5 Ų | 54.5 | 22% | 0.217 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.7 | -22.5 | -171.9 | 58.4 | 0 | 0 | 0 | 0 | 114.2 | E613 T615 C620 A621 L624 | E613-S618 PolarHBondContact O-OG 3.13Å; T615-S618 PolarHBondContact N-OG 3.07Å; T615-S618 PolarHBondContact O-N 2.93Å; T615-S618 VanDerWaalsContact O-N 3.1Å; T615-S618 PolarHBondContact O-OG 3.18Å; T615-S618 PolarHBondContact OG1-N 3.5Å; T615-S618 PolarHBondContact OG1-OG 3.36Å; S618-C620 PolarHBondContact O-N 3.01Å; S618-C620 VanDerWaalsContact O-N 3.09Å; S618-A621 WeakPolarHBondContact O-CB 2.98Å; S618-A621 PolarHBondContact O-N 2.96Å; S618-L624 WeakPolarHBondContact O-CD2 3.41Å |
| 619 | R | 90.8 | Very high | 92.7 | Very high | 31 Ų | 31 | 51 Ų | 51 | 12% | 0.117 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59 | -27.6 | -170.8 | 68.5 | -175.6 | -176.3 | 171 | 7.9 | 114.5 | F614 T615 L625 Y652 | F614-R619 HydrophobicContact CB-CB 4.48Å; T615-R619 WeakPolarHBondContact O-CB 3.43Å; T615-R619 WeakPolarHBondContact O-CG 3.4Å; T615-R619 PolarHBondContact O-N 3.03Å; R619-L625 WeakPolarHBondContact O-CD2 3.38Å; R619-Y652 HydrophobicContact CB-CD2 4.39Å; R619-Y652 HydrophobicContact CB-CE2 3.77Å; R619-Y652 HydrophobicContact CG-CD2 4.1Å; R619-Y652 HydrophobicContact CG-CE2 3.94Å; R619-Y652 WeakPolarHBondContact O-CE2 3.34Å; R619-Y652 PolarHBondContact O-OH 3.39Å |
| 620 | C | 91.5 | Very high | 92.9 | Very high | 63 Ų | 63 | 53 Ų | 53 | 43% | 0.426 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | 4.8 | 178.7 | -59.5 | 0 | 0 | 0 | 0 | 113.5 | S618 | S618-C620 PolarHBondContact O-N 3.01Å; S618-C620 VanDerWaalsContact O-N 3.09Å |
| 621 | A | 94 | Very high | 93 | Very high | 39 Ų | 39 | 49.7 Ų | 49.7 | 32% | 0.322 | 26% | 0.26 | S | S | . | . | trans | -63.8 | 129.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | S618 Q623 L624 L625 | S618-A621 WeakPolarHBondContact O-CB 2.98Å; S618-A621 PolarHBondContact O-N 2.96Å; A621-Q623 VanDerWaalsContact C-N 3.28Å; A621-Q623 PolarHBondContact O-N 2.94Å; A621-L624 HydrophobicContact CB-CB 4.33Å; A621-L624 PolarHBondContact O-N 3.15Å; A621-L624 VanDerWaalsContact O-N 3.09Å; A621-L625 PolarHBondContact O-N 2.97Å; A621-L625 VanDerWaalsContact O-N 3.1Å | ||
| 622 | P | 92.6 | Very high | 93.1 | Very high | 80 Ų | 80 | 44.3 Ų | 44.3 | 52% | 0.519 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -54.8 | -39.7 | -175.5 | -28.5 | 34.5 | 0 | 0 | 0 | 114.2 | L624 L625 D626 | P622-L624 PolarHBondContact O-N 3.48Å; P622-L625 PolarHBondContact O-N 3.38Å; P622-D626 WeakPolarHBondContact O-CB 3.49Å; P622-D626 PolarHBondContact O-N 3.49Å |
| 623 | Q | 93.3 | Very high | 93.2 | Very high | 124 Ų | 124 | 45.9 Ų | 45.9 | 58% | 0.579 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -61.4 | -43.9 | 178.9 | -66.3 | 172.2 | -11.3 | 0 | 0 | 112.4 | A621 D626 D627 | A621-Q623 VanDerWaalsContact C-N 3.28Å; A621-Q623 PolarHBondContact O-N 2.94Å; Q623-D626 PolarHBondContact O-N 3.39Å; Q623-D627 PolarHBondContact O-N 2.93Å |
| 624 | L | 94.7 | Very high | 93.3 | Very high | 11 Ų | 11 | 50.1 Ų | 50.1 | 6% | 0.058 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -67.2 | -40.9 | 178.7 | -179.8 | 67.3 | 0 | 0 | 0 | 111.1 | M612 E613 F614 S618 A621 P622 D627 L628 | M612-L624 HydrophobicContact CE-CD1 3.57Å; M612-L624 HydrophobicContact SD-CD1 3.79Å; E613-L624 VanDerWaalsContact O-CD2 3.3Å; E613-L624 WeakPolarHBondContact O-CD2 3.33Å; F614-L624 HydrophobicContact CD1-CD2 3.94Å; F614-L624 HydrophobicContact CD1-CG 4.4Å; F614-L624 HydrophobicContact CE1-CD1 4.09Å; F614-L624 HydrophobicContact CE1-CD2 4.02Å; F614-L624 HydrophobicContact CE1-CG 3.97Å; F614-L624 HydrophobicContact CE2-CD1 4.5Å; F614-L624 HydrophobicContact CZ-CD1 4Å; F614-L624 HydrophobicContact CZ-CG 4.39Å; S618-L624 WeakPolarHBondContact O-CD2 3.41Å; A621-L624 HydrophobicContact CB-CB 4.33Å; A621-L624 PolarHBondContact O-N 3.15Å; A621-L624 VanDerWaalsContact O-N 3.09Å; P622-L624 PolarHBondContact O-N 3.48Å; L624-D627 PolarHBondContact O-N 3.09Å; L624-L628 WeakPolarHBondContact O-CB 3.48Å; L624-L628 PolarHBondContact O-N 3.32Å |
| 625 | L | 94.9 | Very high | 93.3 | Very high | 11 Ų | 11 | 49.5 Ų | 49.5 | 6% | 0.058 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -66 | -38.9 | 176.5 | -63.4 | 173.8 | 0 | 0 | 0 | 111.8 | R619 A621 P622 L628 C629 Y652 I655 V656 R659 | R619-L625 WeakPolarHBondContact O-CD2 3.38Å; A621-L625 PolarHBondContact O-N 2.97Å; A621-L625 VanDerWaalsContact O-N 3.1Å; P622-L625 PolarHBondContact O-N 3.38Å; L625-L628 PolarHBondContact O-N 2.9Å; L625-C629 WeakPolarHBondContact O-CB 3.46Å; L625-C629 PolarHBondContact O-N 2.83Å; L625-C629 PolarHBondContact O-SG 3.45Å; L625-Y652 HydrophobicContact CD2-CE2 4.21Å; L625-I655 HydrophobicContact CD1-CG2 4.19Å; L625-V656 HydrophobicContact CD2-CG2 3.88Å; L625-R659 HydrophobicContact CB-CG 3.93Å; L625-R659 HydrophobicContact CD1-CG 4.49Å |
| 626 | D | 94.6 | Very high | 93.4 | Very high | 44 Ų | 44 | 48.2 Ų | 48.2 | 24% | 0.235 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -66.3 | -40 | 176.6 | -70.9 | -21.2 | 0 | 0 | 0 | 112.2 | L608 P622 Q623 C629 K630 R659 | L608-D626 HydrophobicContact CD1-CB 4.28Å; P622-D626 WeakPolarHBondContact O-CB 3.49Å; P622-D626 PolarHBondContact O-N 3.49Å; Q623-D626 PolarHBondContact O-N 3.39Å; D626-C629 PolarHBondContact O-N 3.1Å; D626-K630 WeakPolarHBondContact O-CG 3.43Å; D626-K630 PolarHBondContact O-N 2.9Å; D626-R659 IonicContact OD1-CZ 3.72Å; D626-R659 IonicContact OD1-NE 2.96Å; D626-R659 PolarHBondContact OD1-NE 3.13Å; D626-R659 IonicContact OD1-NH2 2.95Å; D626-R659 PolarHBondContact OD1-NH2 3.11Å; D626-R659 IonicContact OD2-CZ 3.52Å; D626-R659 IonicContact OD2-NH2 3.81Å; D626-R659 PolarHBondContact OD2-NH2 3.4Å |
| 627 | D | 95 | Very high | 93.7 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61.5 | -46.1 | 171.8 | -104.8 | -41.4 | 0 | 0 | 0 | 112.2 | G606 P607 L608 H610 M612 Q623 L624 C629 K630 L631 | G606-D627 VanDerWaalsContact C-OD1 3.31Å; P607-D627 WeakPolarHBondContact CD-OD1 3.22Å; P607-D627 WeakPolarHBondContact CG-O 3.37Å; P607-D627 WeakPolarHBondContact CG-OD1 3.42Å; P607-D627 VanDerWaalsContact N-OD1 3.1Å; L608-D627 WeakPolarHBondContact CA-OD1 3.28Å; L608-D627 WeakPolarHBondContact CB-OD1 3.49Å; L608-D627 VanDerWaalsContact CG-OD1 3.28Å; L608-D627 WeakPolarHBondContact CG-OD1 3.47Å; L608-D627 PolarHBondContact N-OD1 2.66Å; H610-D627 WeakPolarHBondContact CB-OD2 3.28Å; H610-D627 IonicContact CE1-OD2 2.73Å; H610-D627 IonicContact CG-OD2 2.78Å; H610-D627 VanDerWaalsContact CG-OD2 3.3Å; H610-D627 PolarHBondContact N-OD2 3.31Å; H610-D627 IonicContact ND1-OD2 3.94Å; H610-D627 PolarHBondContact ND1-OD2 3.33Å; M612-D627 HydrophobicContact CE-CB 3.31Å; M612-D627 WeakPolarHBondContact CE-OD2 3.27Å; M612-D627 HydrophobicContact SD-CB 4.04Å; Q623-D627 PolarHBondContact O-N 2.93Å; L624-D627 PolarHBondContact O-N 3.09Å; D627-C629 PolarHBondContact O-N 3.26Å; D627-K630 PolarHBondContact O-N 3.02Å; D627-L631 VanDerWaalsContact O-CB 3.22Å; D627-L631 WeakPolarHBondContact O-CB 3.42Å; D627-L631 PolarHBondContact O-N 3.1Å |
| 628 | L | 96.2 | Very high | 94 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -59.4 | -47.5 | 177.2 | 176.4 | 62.5 | 0 | 0 | 0 | 111.2 | F614 L624 L625 K630 L631 L632 V656 I729 L787 | F614-L628 HydrophobicContact CE1-CD2 4.18Å; F614-L628 HydrophobicContact CZ-CD1 4.45Å; L624-L628 WeakPolarHBondContact O-CB 3.48Å; L624-L628 PolarHBondContact O-N 3.32Å; L625-L628 PolarHBondContact O-N 2.9Å; L628-K630 PolarHBondContact O-N 2.84Å; L628-L631 WeakPolarHBondContact O-CB 3.44Å; L628-L631 PolarHBondContact O-N 2.97Å; L628-L632 HydrophobicContact CD1-CD1 4.41Å; L628-L632 HydrophobicContact CD1-CG 4.28Å; L628-L632 HydrophobicContact CG-CD1 4.38Å; L628-L632 WeakPolarHBondContact O-CG 3.23Å; L628-L632 PolarHBondContact O-N 2.91Å; L628-V656 HydrophobicContact CD2-CB 4.47Å; L628-V656 HydrophobicContact CD2-CG1 3.81Å; L628-V656 HydrophobicContact CD2-CG2 3.76Å; L628-V656 HydrophobicContact CG-CG1 4.49Å; L628-I729 HydrophobicContact CD1-CD1 4.09Å; L628-I729 HydrophobicContact CD1-CG1 4.31Å; L628-I729 HydrophobicContact CD1-CG2 4.13Å; L628-I729 HydrophobicContact CD2-CG2 4.03Å; L628-L787 HydrophobicContact CD1-CD2 3.38Å |
| 629 | C | 95.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -59.8 | -46.1 | 178.5 | -69.1 | 0 | 0 | 0 | 0 | 111.9 | L625 D626 D627 L631 L632 L633 L660 I665 | L625-C629 WeakPolarHBondContact O-CB 3.46Å; L625-C629 PolarHBondContact O-N 2.83Å; L625-C629 PolarHBondContact O-SG 3.45Å; D626-C629 PolarHBondContact O-N 3.1Å; D627-C629 PolarHBondContact O-N 3.26Å; C629-L631 VanDerWaalsContact C-N 3.34Å; C629-L632 PolarHBondContact O-N 3.12Å; C629-L633 PolarHBondContact O-N 3.38Å; C629-L660 HydrophobicContact CB-CD2 3.74Å; C629-L660 VanDerWaalsContact SG-CD2 3.57Å; C629-I665 HydrophobicContact CB-CD1 3.56Å; C629-I665 HydrophobicContact CB-CG2 4.34Å |
| 630 | K | 95.4 | Very high | 94.2 | Very high | 90 Ų | 90 | 36.8 Ų | 36.8 | 39% | 0.391 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -67 | -35.1 | 177.3 | -73.2 | -177.7 | -174.8 | 179.1 | 0 | 112.5 | P607 L608 D626 D627 L628 L633 R634 I665 | P607-K630 HydrophobicContact CB-CB 4.47Å; P607-K630 HydrophobicContact CG-CB 3.62Å; L608-K630 HydrophobicContact CD1-CD 3.99Å; L608-K630 HydrophobicContact CD2-CD 3.75Å; L608-K630 HydrophobicContact CG-CD 3.98Å; D626-K630 WeakPolarHBondContact O-CG 3.43Å; D626-K630 PolarHBondContact O-N 2.9Å; D627-K630 PolarHBondContact O-N 3.02Å; L628-K630 PolarHBondContact O-N 2.84Å; K630-L633 PolarHBondContact O-N 2.96Å; K630-R634 PolarHBondContact O-N 3.1Å; K630-I665 HydrophobicContact CG-CD1 4.02Å |
| 631 | L | 96 | Very high | 94.2 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -62.7 | -49.1 | 174.6 | 178.9 | 150.2 | 0 | 0 | 0 | 110.6 | I603 P607 D627 L628 C629 L633 R634 L635 L787 F814 | I603-L631 HydrophobicContact CD1-CD1 4.23Å; I603-L631 HydrophobicContact CG2-CD1 4.1Å; P607-L631 HydrophobicContact CG-CB 4.32Å; D627-L631 VanDerWaalsContact O-CB 3.22Å; D627-L631 WeakPolarHBondContact O-CB 3.42Å; D627-L631 PolarHBondContact O-N 3.1Å; L628-L631 WeakPolarHBondContact O-CB 3.44Å; L628-L631 PolarHBondContact O-N 2.97Å; C629-L631 VanDerWaalsContact C-N 3.34Å; L631-L633 VanDerWaalsContact C-N 3.33Å; L631-L633 PolarHBondContact O-N 3.16Å; L631-R634 PolarHBondContact O-N 3.42Å; L631-R634 VanDerWaalsContact O-N 3.13Å; L631-L635 HydrophobicContact CD2-CD1 3.51Å; L631-L635 HydrophobicContact CD2-CG 4.04Å; L631-L635 HydrophobicContact CG-CD1 4.47Å; L631-L635 WeakPolarHBondContact O-CG 3.48Å; L631-L635 PolarHBondContact O-N 3.31Å; L631-L787 HydrophobicContact CD1-CD1 3.54Å; L631-L787 HydrophobicContact CD1-CD2 4.12Å; L631-L787 HydrophobicContact CD2-CD2 3.98Å; L631-F814 HydrophobicContact CB-CE2 4.29Å; L631-F814 HydrophobicContact CB-CZ 4.16Å; L631-F814 HydrophobicContact CD1-CD2 3.9Å; L631-F814 HydrophobicContact CD1-CE2 3.56Å; L631-F814 HydrophobicContact CD1-CZ 4.27Å; L631-F814 HydrophobicContact CG-CD2 4.32Å; L631-F814 HydrophobicContact CG-CE2 3.5Å; L631-F814 HydrophobicContact CG-CZ 3.77Å |
| 632 | L | 95.8 | Very high | 94.2 | Very high | 2 Ų | 2 | 32.5 Ų | 32.5 | 1% | 0.01 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -60.9 | -41.9 | 177.5 | -69.3 | 177.9 | 0 | 0 | 0 | 111.7 | L628 C629 R634 L635 S636 L660 L669 F705 | L628-L632 HydrophobicContact CD1-CD1 4.41Å; L628-L632 HydrophobicContact CD1-CG 4.28Å; L628-L632 HydrophobicContact CG-CD1 4.38Å; L628-L632 WeakPolarHBondContact O-CG 3.23Å; L628-L632 PolarHBondContact O-N 2.91Å; C629-L632 PolarHBondContact O-N 3.12Å; L632-R634 PolarHBondContact O-N 3.06Å; L632-L635 PolarHBondContact O-N 3.49Å; L632-S636 WeakPolarHBondContact O-CB 3.24Å; L632-S636 PolarHBondContact O-N 3.39Å; L632-L660 HydrophobicContact CD1-CD1 4.49Å; L632-L669 HydrophobicContact CB-CD1 4.29Å; L632-F705 HydrophobicContact CD1-CE1 4.15Å; L632-F705 HydrophobicContact CD1-CZ 3.83Å |
| 633 | L | 95.3 | Very high | 94.3 | Very high | 34 Ų | 34 | 28.7 Ų | 28.7 | 18% | 0.178 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -58.2 | -47.3 | 173.2 | -179.7 | 65.7 | 0 | 0 | 0 | 111.1 | C629 K630 L631 S636 G637 I665 Q668 L669 | C629-L633 PolarHBondContact O-N 3.38Å; K630-L633 PolarHBondContact O-N 2.96Å; L631-L633 VanDerWaalsContact C-N 3.33Å; L631-L633 PolarHBondContact O-N 3.16Å; L633-S636 PolarHBondContact O-N 3.06Å; L633-S636 PolarHBondContact O-OG 3.36Å; L633-G637 PolarHBondContact O-N 3.21Å; L633-I665 HydrophobicContact CB-CG2 4.04Å; L633-I665 HydrophobicContact CD2-CG2 4.27Å; L633-Q668 HydrophobicContact CD1-CB 3.89Å; L633-Q668 HydrophobicContact CD2-CB 4.32Å; L633-L669 HydrophobicContact CD1-CB 4.14Å |
| 634 | R | 94.7 | Very high | 94.4 | Very high | 150 Ų | 150 | 22.8 Ų | 22.8 | 57% | 0.566 | 12% | 0.123 | S | C | * | . | H | α-helix | trans | -65.6 | -41.4 | 179.6 | -171.9 | 62.1 | 172.6 | -175.7 | 1.9 | 112.7 | K630 L631 L632 S636 G637 I638 F814 | K630-R634 PolarHBondContact O-N 3.1Å; L631-R634 PolarHBondContact O-N 3.42Å; L631-R634 VanDerWaalsContact O-N 3.13Å; L632-R634 PolarHBondContact O-N 3.06Å; R634-S636 VanDerWaalsContact C-N 3.3Å; R634-S636 PolarHBondContact O-N 2.91Å; R634-G637 PolarHBondContact O-N 2.88Å; R634-I638 HydrophobicContact CG-CD1 4.1Å; R634-I638 WeakPolarHBondContact O-CG1 3.37Å; R634-I638 PolarHBondContact O-N 3.06Å; R634-F814 HydrophobicContact CB-CE1 3.88Å; R634-F814 HydrophobicContact CB-CZ 3.89Å; R634-F814 HydrophobicContact CG-CE1 3.8Å; R634-F814 HydrophobicContact CG-CZ 3.99Å |
| 635 | L | 94.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -61.5 | -39.9 | 174.6 | -70.3 | -175.5 | 0 | 0 | 0 | 111.5 | L631 L632 G637 I638 V639 I643 V727 L821 | L631-L635 HydrophobicContact CD2-CD1 3.51Å; L631-L635 HydrophobicContact CD2-CG 4.04Å; L631-L635 HydrophobicContact CG-CD1 4.47Å; L631-L635 WeakPolarHBondContact O-CG 3.48Å; L631-L635 PolarHBondContact O-N 3.31Å; L632-L635 PolarHBondContact O-N 3.49Å; L635-G637 PolarHBondContact O-N 3.3Å; L635-I638 PolarHBondContact O-N 2.78Å; L635-V639 WeakPolarHBondContact O-CG2 3.32Å; L635-V639 PolarHBondContact O-N 3.4Å; L635-I643 HydrophobicContact CB-CD1 4.45Å; L635-V727 HydrophobicContact CD1-CG2 3.89Å; L635-L821 HydrophobicContact CD2-CD1 3.35Å |
| 636 | S | 93.2 | Very high | 94.5 | Very high | 5 Ų | 5 | 21.9 Ų | 21.9 | 4% | 0.035 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -60.2 | -29.5 | 177.6 | 80.4 | 0 | 0 | 0 | 0 | 113.3 | L632 L633 R634 K673 | L632-S636 WeakPolarHBondContact O-CB 3.24Å; L632-S636 PolarHBondContact O-N 3.39Å; L633-S636 PolarHBondContact O-N 3.06Å; L633-S636 PolarHBondContact O-OG 3.36Å; R634-S636 VanDerWaalsContact C-N 3.3Å; R634-S636 PolarHBondContact O-N 2.91Å; S636-K673 WeakPolarHBondContact O-CE 3.27Å |
| 637 | G | 91.9 | Very high | 94.5 | Very high | 52 Ų | 52 | 19.8 Ų | 19.8 | 54% | 0.536 | 11% | 0.107 | S | C | . | . | H | α-helix | trans | -80.8 | -20.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | L633 R634 L635 | L633-G637 PolarHBondContact O-N 3.21Å; R634-G637 PolarHBondContact O-N 2.88Å; L635-G637 PolarHBondContact O-N 3.3Å |
| 638 | I | 93.2 | Very high | 94.3 | Very high | 29 Ų | 29 | 21.5 Ų | 21.5 | 15% | 0.149 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -98.9 | -44.7 | -174.4 | -64.4 | 168 | 0 | 0 | 0 | 111.6 | R634 L635 C818 L821 V822 Y825 | R634-I638 HydrophobicContact CG-CD1 4.1Å; R634-I638 WeakPolarHBondContact O-CG1 3.37Å; R634-I638 PolarHBondContact O-N 3.06Å; L635-I638 PolarHBondContact O-N 2.78Å; I638-C818 HydrophobicContact CD1-CB 3.7Å; I638-L821 HydrophobicContact CG2-CB 3.77Å; I638-V822 HydrophobicContact CB-CG2 4.48Å; I638-V822 HydrophobicContact CD1-CG2 4.22Å; I638-V822 HydrophobicContact CG1-CG2 4.05Å; I638-V822 HydrophobicContact CG2-CG2 3.68Å; I638-Y825 HydrophobicContact CG2-CD2 4.34Å |
| 639 | V | 93.8 | Very high | 94.1 | Very high | 4 Ų | 4 | 23 Ų | 23 | 2% | 0.024 | 13% | 0.129 | C | C | . | . | S | Bend | trans | -78.4 | 126.2 | -171.4 | 177.1 | 0 | 0 | 0 | 0 | 110.5 | L635 I643 K673 R724 C725 Y825 | L635-V639 WeakPolarHBondContact O-CG2 3.32Å; L635-V639 PolarHBondContact O-N 3.4Å; V639-I643 HydrophobicContact CB-CD1 3.88Å; V639-I643 HydrophobicContact CB-CG1 3.95Å; V639-I643 HydrophobicContact CG1-CD1 4.3Å; V639-I643 HydrophobicContact CG1-CG1 3.79Å; V639-I643 HydrophobicContact CG2-CD1 4.21Å; V639-I643 HydrophobicContact CG2-CG1 4.44Å; V639-K673 WeakPolarHBondContact O-CE 3.5Å; V639-K673 PolarHBondContact O-NZ 3.1Å; V639-R724 HydrophobicContact CG1-CB 4.02Å; V639-C725 HydrophobicContact CB-CB 4.29Å; V639-C725 HydrophobicContact CG1-CB 3.57Å; V639-C725 HydrophobicContact CG2-CB 3.77Å; V639-Y825 HydrophobicContact CB-CE2 4.2Å; V639-Y825 HydrophobicContact CG1-CE2 4.25Å; V639-Y825 HydrophobicContact CG2-CE2 3.81Å |
| 640 | P | 91.1 | Very high | 93.9 | Very high | 35 Ų | 35 | 26 Ų | 26 | 23% | 0.227 | 14% | 0.141 | C | C | . | . | trans | -73.4 | 148.1 | 171.3 | 30.5 | -33.7 | 0 | 0 | 0 | 111.5 | R724 Y825 | P640-R724 WeakPolarHBondContact O-CB 3.4Å; P640-R724 VanDerWaalsContact O-CG 3.23Å; P640-R724 WeakPolarHBondContact O-CG 3.42Å; P640-Y825 VanDerWaalsContact CD-CD1 3.46Å; P640-Y825 VanDerWaalsContact CD-CG 3.45Å; P640-Y825 HydrophobicContact CG-CD1 3.61Å; P640-Y825 HydrophobicContact CG-CE1 4.03Å; P640-Y825 HydrophobicContact CG-CG 3.97Å | ||
| 641 | G | 92.3 | Very high | 93.7 | Very high | 11 Ų | 11 | 27.6 Ų | 27.6 | 11% | 0.113 | 15% | 0.15 | C | C | . | . | S | Bend | trans | 66.8 | -142 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | K673 G701 | G641-K673 PolarHBondContact O-NZ 3.33Å; G641-G701 VanDerWaalsContact O-CA 3.3Å; G641-G701 WeakPolarHBondContact O-CA 3.35Å |
| 642 | G | 93.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 15% | 0.15 | C | C | . | . | trans | -81.7 | 135.3 | -172.7 | 0 | 0 | 0 | 0 | 0 | 115 | Y692 A702 N721 R724 C725 | G642-Y692 WeakPolarHBondContact CA-OH 3.18Å; G642-A702 CarbonylContact C-O 3.54Å; G642-A702 WeakPolarHBondContact CA-O 3.33Å; G642-N721 WeakPolarHBondContact CA-O 3.37Å; G642-N721 PolarHBondContact N-O 2.93Å; G642-R724 PolarHBondContact O-N 3.06Å; G642-C725 PolarHBondContact O-N 3.11Å | ||
| 643 | I | 95.3 | Very high | 93.6 | Very high | 1 Ų | 1 | 27.9 Ų | 27.9 | 1% | 0.005 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 124.1 | 169.7 | -54.3 | 177.6 | 0 | 0 | 0 | 108.5 | L635 V639 K673 A702 I703 L704 C725 V727 | L635-I643 HydrophobicContact CB-CD1 4.45Å; V639-I643 HydrophobicContact CB-CD1 3.88Å; V639-I643 HydrophobicContact CB-CG1 3.95Å; V639-I643 HydrophobicContact CG1-CD1 4.3Å; V639-I643 HydrophobicContact CG1-CG1 3.79Å; V639-I643 HydrophobicContact CG2-CD1 4.21Å; V639-I643 HydrophobicContact CG2-CG1 4.44Å; I643-K673 HydrophobicContact CD1-CD 4.09Å; I643-K673 HydrophobicContact CG1-CD 4.37Å; I643-A702 PolarHBondContact N-O 3.13Å; I643-I703 HydrophobicContact CB-CG1 4.26Å; I643-I703 HydrophobicContact CB-CG2 4.41Å; I643-I703 HydrophobicContact CD1-CD1 4.4Å; I643-I703 HydrophobicContact CD1-CG1 4.31Å; I643-I703 CarbonylContact O-C 3.57Å; I643-I703 WeakPolarHBondContact O-CA 3.45Å; I643-L704 PolarHBondContact O-N 3.1Å; I643-C725 WeakPolarHBondContact CA-O 3.25Å; I643-C725 HydrophobicContact CG1-CB 4.4Å; I643-C725 HydrophobicContact CG2-CB 4.35Å; I643-V727 HydrophobicContact CG2-CG2 3.89Å |
| 644 | V | 94.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 114.8 | 175.9 | -175.6 | 0 | 0 | 0 | 0 | 109.1 | F646 L704 A706 F718 C723 C725 V726 V727 | V644-F646 HydrophobicContact CB-CE2 4.42Å; V644-F646 HydrophobicContact CG1-CD2 4.18Å; V644-F646 HydrophobicContact CG1-CE1 4.31Å; V644-F646 HydrophobicContact CG1-CE2 3.64Å; V644-F646 HydrophobicContact CG1-CZ 3.71Å; V644-L704 HydrophobicContact CG1-CD2 4.46Å; V644-L704 HydrophobicContact CG2-CB 4.46Å; V644-A706 HydrophobicContact CG1-CB 4.44Å; V644-F718 HydrophobicContact CG2-CD1 4.33Å; V644-F718 HydrophobicContact CG2-CE1 4.32Å; V644-F718 HydrophobicContact CG2-CG 4.44Å; V644-F718 HydrophobicContact CG2-CZ 4.41Å; V644-C723 HydrophobicContact CG2-CB 4.08Å; V644-C725 PolarHBondContact N-O 2.92Å; V644-V726 CarbonylContact O-C 3.47Å; V644-V726 WeakPolarHBondContact O-CA 3.38Å; V644-V727 PolarHBondContact O-N 3.18Å |
| 645 | C | 95.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 116.1 | 178.4 | -59.9 | 0 | 0 | 0 | 0 | 109.9 | F647 L704 F705 A706 V727 I729 | C645-F647 HydrophobicContact CB-CE2 3.85Å; C645-F647 HydrophobicContact CB-CZ 4.42Å; C645-L704 PolarHBondContact N-O 3Å; C645-F705 HydrophobicContact CB-CD1 3.72Å; C645-F705 HydrophobicContact CB-CE1 3.95Å; C645-A706 PolarHBondContact O-N 3.3Å; C645-V727 CarbonylContact C-O 3.6Å; C645-V727 WeakPolarHBondContact CA-O 3.16Å; C645-V727 HydrophobicContact CB-CB 4.48Å; C645-I729 HydrophobicContact CB-CD1 4.01Å |
| 646 | F | 95.2 | Very high | 93.6 | Very high | 2 Ų | 2 | 24.9 Ų | 24.9 | 1% | 0.009 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 123.2 | 176.6 | -72 | -75.1 | 0 | 0 | 0 | 111.3 | V644 A706 V708 V726 V727 I729 | V644-F646 HydrophobicContact CB-CE2 4.42Å; V644-F646 HydrophobicContact CG1-CD2 4.18Å; V644-F646 HydrophobicContact CG1-CE1 4.31Å; V644-F646 HydrophobicContact CG1-CE2 3.64Å; V644-F646 HydrophobicContact CG1-CZ 3.71Å; F646-A706 CarbonylContact C-O 3.59Å; F646-A706 VanDerWaalsContact CA-O 3.31Å; F646-A706 WeakPolarHBondContact CA-O 3.15Å; F646-A706 HydrophobicContact CD1-CB 3.86Å; F646-A706 HydrophobicContact CE1-CB 3.82Å; F646-V708 HydrophobicContact CB-CG2 3.7Å; F646-V708 HydrophobicContact CD1-CG2 4.49Å; F646-V708 HydrophobicContact CG-CG2 4.41Å; F646-V726 HydrophobicContact CD2-CG1 3.6Å; F646-V726 HydrophobicContact CE2-CG1 3.68Å; F646-V727 PolarHBondContact N-O 3.26Å; F646-I729 PolarHBondContact O-N 3.47Å |
| 647 | F | 95 | Very high | 93.7 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 154.4 | 176.2 | -64.9 | -95.5 | 0 | 0 | 0 | 111.1 | C645 S649 Y652 E653 V656 F705 A706 V707 V708 I729 | C645-F647 HydrophobicContact CB-CE2 3.85Å; C645-F647 HydrophobicContact CB-CZ 4.42Å; F647-S649 VanDerWaalsContact C-N 3.3Å; F647-S649 PolarHBondContact O-N 3.37Å; F647-Y652 AromaticContact CD1-CD1 3.85Å; F647-Y652 HydrophobicContact CD1-CD1 3.85Å; F647-Y652 HydrophobicContact CD1-CE1 4.02Å; F647-E653 HydrophobicContact CB-CB 3.95Å; F647-E653 HydrophobicContact CD1-CB 4.29Å; F647-E653 HydrophobicContact CD2-CB 4Å; F647-E653 HydrophobicContact CD2-CG 3.77Å; F647-E653 HydrophobicContact CE2-CG 4.07Å; F647-E653 HydrophobicContact CG-CB 3.82Å; F647-E653 HydrophobicContact CG-CG 4.13Å; F647-V656 HydrophobicContact CD1-CG2 4.49Å; F647-V656 HydrophobicContact CE1-CB 3.87Å; F647-V656 HydrophobicContact CE1-CG1 3.91Å; F647-V656 HydrophobicContact CE1-CG2 3.89Å; F647-V656 HydrophobicContact CZ-CB 4.42Å; F647-V656 HydrophobicContact CZ-CG1 4.14Å; F647-F705 HydrophobicContact CD2-CB 4.35Å; F647-F705 HydrophobicContact CD2-CG 4.46Å; F647-F705 HydrophobicContact CE2-CB 3.82Å; F647-F705 AromaticContact CE2-CD1 3.67Å; F647-F705 HydrophobicContact CE2-CD1 3.67Å; F647-F705 AromaticContact CE2-CD2 3.78Å; F647-F705 HydrophobicContact CE2-CD2 3.78Å; F647-F705 HydrophobicContact CE2-CE1 4.1Å; F647-F705 HydrophobicContact CE2-CE2 4.21Å; F647-F705 AromaticContact CE2-CG 3.49Å; F647-F705 HydrophobicContact CE2-CG 3.49Å; F647-F705 VanDerWaalsContact CE2-CG 3.49Å; F647-F705 HydrophobicContact CE2-CZ 4.36Å; F647-F705 HydrophobicContact CZ-CD1 4.15Å; F647-F705 AromaticContact CZ-CD2 3.95Å; F647-F705 HydrophobicContact CZ-CD2 3.95Å; F647-F705 HydrophobicContact CZ-CE1 4.12Å; F647-F705 AromaticContact CZ-CE2 3.94Å; F647-F705 HydrophobicContact CZ-CE2 3.94Å; F647-F705 HydrophobicContact CZ-CG 4.06Å; F647-F705 HydrophobicContact CZ-CZ 4.02Å; F647-A706 PolarHBondContact N-O 2.87Å; F647-V707 WeakPolarHBondContact O-CA 3.49Å; F647-V708 PolarHBondContact O-N 2.89Å; F647-I729 HydrophobicContact CD1-CB 4.36Å; F647-I729 HydrophobicContact CD1-CD1 3.96Å; F647-I729 HydrophobicContact CD1-CG2 4.44Å; F647-I729 HydrophobicContact CD2-CD1 4.43Å; F647-I729 HydrophobicContact CE1-CB 4.5Å; F647-I729 HydrophobicContact CE1-CD1 3.36Å; F647-I729 HydrophobicContact CE1-CG2 4.44Å; F647-I729 HydrophobicContact CE2-CD1 3.9Å; F647-I729 HydrophobicContact CG-CD1 4.46Å; F647-I729 HydrophobicContact CZ-CD1 3.34Å |
| 648 | S | 92.1 | Very high | 93.8 | Very high | 37 Ų | 37 | 27 Ų | 27 | 26% | 0.259 | 14% | 0.14 | S | C | . | . | S | Bend | trans | -68.3 | -23 | 178.3 | 54.4 | 0 | 0 | 0 | 0 | 114.9 | ||
| 649 | S | 91.4 | Very high | 93.9 | Very high | 30 Ų | 30 | 29.2 Ų | 29.2 | 21% | 0.21 | 15% | 0.146 | C | C | . | . | trans | -161.3 | 154.8 | -178.7 | 58.9 | 0 | 0 | 0 | 0 | 111.5 | F647 E651 Y652 E653 | F647-S649 VanDerWaalsContact C-N 3.3Å; F647-S649 PolarHBondContact O-N 3.37Å; S649-E651 PolarHBondContact O-N 3.22Å; S649-Y652 PolarHBondContact O-N 3.05Å; S649-Y652 WeakPolarHBondContact OG-CB 3.38Å; S649-Y652 PolarHBondContact OG-N 3.39Å; S649-E653 PolarHBondContact O-N 3.31Å | ||
| 650 | Y | 91.2 | Very high | 93.9 | Very high | 63 Ų | 63 | 29 Ų | 29 | 25% | 0.247 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -60.5 | -32.4 | 173.7 | -69.5 | -76 | 0 | 0 | 0 | 112.7 | Q654 E678 V707 | Y650-Q654 WeakPolarHBondContact O-CB 3.37Å; Y650-Q654 PolarHBondContact O-N 3.07Å; Y650-E678 HydrophobicContact CE1-CB 4.47Å; Y650-E678 HydrophobicContact CE1-CG 4.05Å; Y650-E678 PolarHBondContact OH-OE1 3.38Å; Y650-V707 HydrophobicContact CD1-CB 4.4Å; Y650-V707 HydrophobicContact CD1-CG2 3.51Å; Y650-V707 HydrophobicContact CD2-CG1 4.39Å; Y650-V707 HydrophobicContact CD2-CG2 4.2Å; Y650-V707 HydrophobicContact CE1-CB 4.18Å; Y650-V707 HydrophobicContact CE1-CG2 3.69Å; Y650-V707 HydrophobicContact CE2-CB 4.32Å; Y650-V707 HydrophobicContact CE2-CG1 4.37Å; Y650-V707 HydrophobicContact CE2-CG2 4.36Å; Y650-V707 HydrophobicContact CG-CG2 3.78Å |
| 651 | E | 91.6 | Very high | 94 | Very high | 125 Ų | 125 | 33.4 Ų | 33.4 | 58% | 0.584 | 16% | 0.161 | S | C | * | . | H | α-helix | trans | -65.5 | -46.2 | 176.5 | -175 | -175.7 | -172.1 | 0 | 0 | 111.2 | S649 Q654 I655 | S649-E651 PolarHBondContact O-N 3.22Å; E651-Q654 WeakPolarHBondContact O-CB 3.42Å; E651-Q654 PolarHBondContact O-N 3.16Å; E651-I655 HydrophobicContact CG-CD1 4.42Å; E651-I655 WeakPolarHBondContact O-CG1 3.44Å; E651-I655 PolarHBondContact O-N 3.17Å |
| 652 | Y | 93.9 | Very high | 94 | Very high | 1 Ų | 1 | 38.1 Ų | 38.1 | 0% | 0.004 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -69.7 | -39.1 | 179.7 | -175.4 | -119.3 | 0 | 0 | 0 | 112.5 | F614 R619 L625 F647 S649 Q654 I655 V656 I729 | F614-Y652 HydrophobicContact CD1-CE1 4.35Å; F614-Y652 WeakPolarHBondContact CD1-OH 3.36Å; F614-Y652 WeakPolarHBondContact CE1-OH 3.25Å; R619-Y652 HydrophobicContact CB-CD2 4.39Å; R619-Y652 HydrophobicContact CB-CE2 3.77Å; R619-Y652 HydrophobicContact CG-CD2 4.1Å; R619-Y652 HydrophobicContact CG-CE2 3.94Å; R619-Y652 WeakPolarHBondContact O-CE2 3.34Å; R619-Y652 PolarHBondContact O-OH 3.39Å; L625-Y652 HydrophobicContact CD2-CE2 4.21Å; F647-Y652 AromaticContact CD1-CD1 3.85Å; F647-Y652 HydrophobicContact CD1-CD1 3.85Å; F647-Y652 HydrophobicContact CD1-CE1 4.02Å; S649-Y652 PolarHBondContact O-N 3.05Å; S649-Y652 WeakPolarHBondContact OG-CB 3.38Å; S649-Y652 PolarHBondContact OG-N 3.39Å; Y652-Q654 VanDerWaalsContact C-N 3.27Å; Y652-Q654 PolarHBondContact O-N 2.99Å; Y652-I655 PolarHBondContact O-N 3.31Å; Y652-V656 HydrophobicContact CD2-CG2 4.48Å; Y652-V656 HydrophobicContact CE1-CG2 4.12Å; Y652-V656 HydrophobicContact CE2-CG2 3.99Å; Y652-V656 WeakPolarHBondContact O-CG2 3.42Å; Y652-V656 PolarHBondContact O-N 2.93Å; Y652-I729 HydrophobicContact CE1-CG2 4.05Å |
| 653 | E | 94.8 | Very high | 93.9 | Very high | 7 Ų | 7 | 40.3 Ų | 40.3 | 3% | 0.033 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -55.8 | -44.6 | 171.4 | -177.6 | -76.2 | 134.4 | 0 | 0 | 111.1 | F647 S649 V656 S657 R677 F705 | F647-E653 HydrophobicContact CB-CB 3.95Å; F647-E653 HydrophobicContact CD1-CB 4.29Å; F647-E653 HydrophobicContact CD2-CB 4Å; F647-E653 HydrophobicContact CD2-CG 3.77Å; F647-E653 HydrophobicContact CE2-CG 4.07Å; F647-E653 HydrophobicContact CG-CB 3.82Å; F647-E653 HydrophobicContact CG-CG 4.13Å; S649-E653 PolarHBondContact O-N 3.31Å; E653-V656 PolarHBondContact O-N 2.9Å; E653-S657 WeakPolarHBondContact O-CB 3.37Å; E653-S657 PolarHBondContact O-N 3.15Å; E653-S657 PolarHBondContact O-OG 2.93Å; E653-S657 PolarHBondContact OE1-OG 3.1Å; E653-R677 IonicContact OE1-CZ 2.61Å; E653-R677 IonicContact OE1-NE 3.13Å; E653-R677 PolarHBondContact OE1-NE 3.23Å; E653-R677 IonicContact OE1-NH2 3.89Å; E653-R677 PolarHBondContact OE1-NH2 3.48Å; E653-R677 IonicContact OE2-CZ 2.86Å; E653-R677 IonicContact OE2-NE 3.14Å; E653-R677 PolarHBondContact OE2-NE 2.84Å; E653-R677 IonicContact OE2-NH2 2.72Å; E653-R677 PolarHBondContact OE2-NH2 2.81Å; E653-F705 HydrophobicContact CG-CB 3.96Å; E653-F705 HydrophobicContact CG-CD2 4.22Å; E653-F705 WeakPolarHBondContact OE1-CD2 3.41Å |
| 654 | Q | 94.6 | Very high | 93.7 | Very high | 71 Ų | 71 | 41.6 Ų | 41.6 | 33% | 0.332 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -61.5 | -45.7 | 177.2 | -178.2 | 114.6 | -4.2 | 0 | 0 | 112 | Y650 E651 Y652 V656 S657 E658 R677 | Y650-Q654 WeakPolarHBondContact O-CB 3.37Å; Y650-Q654 PolarHBondContact O-N 3.07Å; E651-Q654 WeakPolarHBondContact O-CB 3.42Å; E651-Q654 PolarHBondContact O-N 3.16Å; Y652-Q654 VanDerWaalsContact C-N 3.27Å; Y652-Q654 PolarHBondContact O-N 2.99Å; Q654-V656 VanDerWaalsContact C-N 3.31Å; Q654-V656 PolarHBondContact O-N 3.3Å; Q654-S657 WeakPolarHBondContact O-CB 3.47Å; Q654-S657 PolarHBondContact O-N 3.41Å; Q654-E658 HydrophobicContact CG-CG 4.47Å; Q654-E658 VanDerWaalsContact CG-OE1 3.26Å; Q654-E658 WeakPolarHBondContact CG-OE1 3.46Å; Q654-E658 PolarHBondContact NE2-OE1 3.18Å; Q654-E658 WeakPolarHBondContact O-CB 3.37Å; Q654-E658 WeakPolarHBondContact O-CG 3.32Å; Q654-E658 PolarHBondContact O-N 3.32Å; Q654-R677 VanDerWaalsContact OE1-NH2 3.11Å |
| 655 | I | 95.1 | Very high | 93.6 | Very high | 49 Ų | 49 | 42.3 Ų | 42.3 | 25% | 0.251 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -57.8 | -44.7 | 177.4 | -69.1 | 167.1 | 0 | 0 | 0 | 111 | L625 E651 Y652 E658 R659 | L625-I655 HydrophobicContact CD1-CG2 4.19Å; E651-I655 HydrophobicContact CG-CD1 4.42Å; E651-I655 WeakPolarHBondContact O-CG1 3.44Å; E651-I655 PolarHBondContact O-N 3.17Å; Y652-I655 PolarHBondContact O-N 3.31Å; I655-E658 PolarHBondContact O-N 2.96Å; I655-R659 PolarHBondContact O-N 3.13Å |
| 656 | V | 95.5 | Very high | 93.4 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -67.4 | -42.5 | 178.9 | 175.2 | 0 | 0 | 0 | 0 | 111.1 | L625 L628 F647 Y652 E653 Q654 E658 R659 L660 | L625-V656 HydrophobicContact CD2-CG2 3.88Å; L628-V656 HydrophobicContact CD2-CB 4.47Å; L628-V656 HydrophobicContact CD2-CG1 3.81Å; L628-V656 HydrophobicContact CD2-CG2 3.76Å; L628-V656 HydrophobicContact CG-CG1 4.49Å; F647-V656 HydrophobicContact CD1-CG2 4.49Å; F647-V656 HydrophobicContact CE1-CB 3.87Å; F647-V656 HydrophobicContact CE1-CG1 3.91Å; F647-V656 HydrophobicContact CE1-CG2 3.89Å; F647-V656 HydrophobicContact CZ-CB 4.42Å; F647-V656 HydrophobicContact CZ-CG1 4.14Å; Y652-V656 HydrophobicContact CD2-CG2 4.48Å; Y652-V656 HydrophobicContact CE1-CG2 4.12Å; Y652-V656 HydrophobicContact CE2-CG2 3.99Å; Y652-V656 WeakPolarHBondContact O-CG2 3.42Å; Y652-V656 PolarHBondContact O-N 2.93Å; E653-V656 PolarHBondContact O-N 2.9Å; Q654-V656 VanDerWaalsContact C-N 3.31Å; Q654-V656 PolarHBondContact O-N 3.3Å; V656-E658 VanDerWaalsContact C-N 3.32Å; V656-E658 PolarHBondContact O-N 3.03Å; V656-R659 PolarHBondContact O-N 3.05Å; V656-L660 HydrophobicContact CG1-CD1 4.41Å; V656-L660 PolarHBondContact O-N 2.88Å |
| 657 | S | 94.5 | Very high | 93.3 | Very high | 5 Ų | 5 | 48.4 Ų | 48.4 | 4% | 0.035 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -59.5 | -40 | 174.2 | -82.9 | 0 | 0 | 0 | 0 | 112.8 | E653 Q654 K661 R677 F705 | E653-S657 WeakPolarHBondContact O-CB 3.37Å; E653-S657 PolarHBondContact O-N 3.15Å; E653-S657 PolarHBondContact O-OG 2.93Å; E653-S657 PolarHBondContact OE1-OG 3.1Å; Q654-S657 WeakPolarHBondContact O-CB 3.47Å; Q654-S657 PolarHBondContact O-N 3.41Å; S657-K661 WeakPolarHBondContact O-CG 3.22Å; S657-K661 PolarHBondContact O-N 2.92Å; S657-R677 PolarHBondContact OG-NE 2.87Å; S657-F705 WeakPolarHBondContact OG-CD2 3.36Å |
| 658 | E | 94.8 | Very high | 93.1 | Very high | 98 Ų | 98 | 53.5 Ų | 53.5 | 46% | 0.458 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -69.8 | -36.5 | 174.8 | -73.1 | 172 | -168.7 | 0 | 0 | 111.9 | Q654 I655 V656 K661 T662 | Q654-E658 HydrophobicContact CG-CG 4.47Å; Q654-E658 VanDerWaalsContact CG-OE1 3.26Å; Q654-E658 WeakPolarHBondContact CG-OE1 3.46Å; Q654-E658 PolarHBondContact NE2-OE1 3.18Å; Q654-E658 WeakPolarHBondContact O-CB 3.37Å; Q654-E658 WeakPolarHBondContact O-CG 3.32Å; Q654-E658 PolarHBondContact O-N 3.32Å; I655-E658 PolarHBondContact O-N 2.96Å; V656-E658 VanDerWaalsContact C-N 3.32Å; V656-E658 PolarHBondContact O-N 3.03Å; E658-K661 PolarHBondContact O-N 3.06Å; E658-T662 WeakPolarHBondContact O-CG2 3.36Å; E658-T662 PolarHBondContact O-N 3.47Å; E658-T662 PolarHBondContact O-OG1 3.12Å |
| 659 | R | 94.6 | Very high | 93.1 | Very high | 74 Ų | 74 | 51.7 Ų | 51.7 | 28% | 0.279 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -65.2 | -41.3 | 173 | -171.7 | 66 | 172.3 | -178.8 | -0.7 | 112.3 | L625 D626 I655 V656 K661 T662 S663 | L625-R659 HydrophobicContact CB-CG 3.93Å; L625-R659 HydrophobicContact CD1-CG 4.49Å; D626-R659 IonicContact OD1-CZ 3.72Å; D626-R659 IonicContact OD1-NE 2.96Å; D626-R659 PolarHBondContact OD1-NE 3.13Å; D626-R659 IonicContact OD1-NH2 2.95Å; D626-R659 PolarHBondContact OD1-NH2 3.11Å; D626-R659 IonicContact OD2-CZ 3.52Å; D626-R659 IonicContact OD2-NH2 3.81Å; D626-R659 PolarHBondContact OD2-NH2 3.4Å; I655-R659 PolarHBondContact O-N 3.13Å; V656-R659 PolarHBondContact O-N 3.05Å; R659-K661 VanDerWaalsContact C-N 3.29Å; R659-K661 PolarHBondContact O-N 3.21Å; R659-T662 WeakPolarHBondContact CA-OG1 3.29Å; R659-T662 PolarHBondContact O-N 3.42Å; R659-T662 PolarHBondContact O-OG1 2.84Å; R659-S663 VanDerWaalsContact O-CB 3.29Å; R659-S663 WeakPolarHBondContact O-CB 3.14Å; R659-S663 PolarHBondContact O-N 3.25Å; R659-S663 PolarHBondContact O-OG 2.72Å |
| 660 | L | 94.5 | Very high | 93 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -59.1 | -41.6 | 176.2 | -80 | 167.4 | 0 | 0 | 0 | 111.7 | C629 L632 V656 S663 I665 L666 L669 L675 F705 | C629-L660 HydrophobicContact CB-CD2 3.74Å; C629-L660 VanDerWaalsContact SG-CD2 3.57Å; L632-L660 HydrophobicContact CD1-CD1 4.49Å; V656-L660 HydrophobicContact CG1-CD1 4.41Å; V656-L660 PolarHBondContact O-N 2.88Å; L660-S663 PolarHBondContact O-OG 3.47Å; L660-I665 HydrophobicContact CD2-CB 4.22Å; L660-I665 HydrophobicContact CD2-CG2 3.81Å; L660-I665 PolarHBondContact O-N 3.22Å; L660-L666 HydrophobicContact CB-CB 4.24Å; L660-L666 WeakPolarHBondContact O-CB 3.42Å; L660-L666 PolarHBondContact O-N 3.39Å; L660-L669 HydrophobicContact CD2-CD1 4.39Å; L660-L675 HydrophobicContact CD1-CD2 4.45Å; L660-F705 HydrophobicContact CD1-CE2 3.75Å; L660-F705 HydrophobicContact CD1-CZ 3.64Å |
| 661 | K | 93.4 | Very high | 92.9 | Very high | 128 Ų | 128 | 56.9 Ų | 56.9 | 56% | 0.557 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -64.5 | -52.9 | 175 | -71.8 | 175.8 | -179.3 | -175.3 | 0 | 112.1 | S657 E658 R659 S663 G664 L666 | S657-K661 WeakPolarHBondContact O-CG 3.22Å; S657-K661 PolarHBondContact O-N 2.92Å; E658-K661 PolarHBondContact O-N 3.06Å; R659-K661 VanDerWaalsContact C-N 3.29Å; R659-K661 PolarHBondContact O-N 3.21Å; K661-S663 VanDerWaalsContact C-N 3.31Å; K661-S663 PolarHBondContact O-N 2.9Å; K661-G664 PolarHBondContact O-N 2.88Å; K661-L666 HydrophobicContact CD-CD2 4.4Å; K661-L666 HydrophobicContact CG-CD2 3.45Å; K661-L666 VanDerWaalsContact CG-CD2 3.45Å |
| 662 | T | 93.3 | Very high | 92.6 | Very high | 110 Ų | 110 | 55.2 Ų | 55.2 | 68% | 0.675 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -69.5 | -25.7 | -174.1 | 48.9 | 0 | 0 | 0 | 0 | 114 | E658 R659 | E658-T662 WeakPolarHBondContact O-CG2 3.36Å; E658-T662 PolarHBondContact O-N 3.47Å; E658-T662 PolarHBondContact O-OG1 3.12Å; R659-T662 WeakPolarHBondContact CA-OG1 3.29Å; R659-T662 PolarHBondContact O-N 3.42Å; R659-T662 PolarHBondContact O-OG1 2.84Å |
| 663 | S | 91.7 | Very high | 92.5 | Very high | 45 Ų | 45 | 55.4 Ų | 55.4 | 32% | 0.315 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | -9.4 | 176.1 | 57.3 | 0 | 0 | 0 | 0 | 114.4 | R659 L660 K661 I665 | R659-S663 VanDerWaalsContact O-CB 3.29Å; R659-S663 WeakPolarHBondContact O-CB 3.14Å; R659-S663 PolarHBondContact O-N 3.25Å; R659-S663 PolarHBondContact O-OG 2.72Å; L660-S663 PolarHBondContact O-OG 3.47Å; K661-S663 VanDerWaalsContact C-N 3.31Å; K661-S663 PolarHBondContact O-N 2.9Å; S663-I665 PolarHBondContact O-N 2.69Å |
| 664 | G | 90.7 | Very high | 92.4 | Very high | 28 Ų | 28 | 59.6 Ų | 59.6 | 29% | 0.289 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.2 | 0.7 | -172.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | K661 L666 | K661-G664 PolarHBondContact O-N 2.88Å; G664-L666 VanDerWaalsContact C-N 3.27Å; G664-L666 PolarHBondContact O-N 3.44Å |
| 665 | I | 91.5 | Very high | 92.4 | Very high | 15 Ų | 15 | 57.7 Ų | 57.7 | 8% | 0.077 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -70.6 | -27.2 | 177.3 | -66.2 | 172 | 0 | 0 | 0 | 110.7 | C629 K630 L633 L660 S663 D667 Q668 L669 | C629-I665 HydrophobicContact CB-CD1 3.56Å; C629-I665 HydrophobicContact CB-CG2 4.34Å; K630-I665 HydrophobicContact CG-CD1 4.02Å; L633-I665 HydrophobicContact CB-CG2 4.04Å; L633-I665 HydrophobicContact CD2-CG2 4.27Å; L660-I665 HydrophobicContact CD2-CB 4.22Å; L660-I665 HydrophobicContact CD2-CG2 3.81Å; L660-I665 PolarHBondContact O-N 3.22Å; S663-I665 PolarHBondContact O-N 2.69Å; I665-D667 VanDerWaalsContact C-N 3.32Å; I665-D667 PolarHBondContact O-N 3.37Å; I665-Q668 PolarHBondContact O-N 2.91Å; I665-L669 VanDerWaalsContact O-CB 3.27Å; I665-L669 WeakPolarHBondContact O-CB 3.29Å; I665-L669 PolarHBondContact O-N 3.45Å |
| 666 | L | 92.2 | Very high | 92.4 | Very high | 20 Ų | 20 | 56.8 Ų | 56.8 | 11% | 0.105 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -57.3 | -45 | 177.2 | -178.7 | 63.6 | 0 | 0 | 0 | 112.1 | L660 K661 G664 Q668 L669 Q670 L675 | L660-L666 HydrophobicContact CB-CB 4.24Å; L660-L666 WeakPolarHBondContact O-CB 3.42Å; L660-L666 PolarHBondContact O-N 3.39Å; K661-L666 HydrophobicContact CD-CD2 4.4Å; K661-L666 HydrophobicContact CG-CD2 3.45Å; K661-L666 VanDerWaalsContact CG-CD2 3.45Å; G664-L666 VanDerWaalsContact C-N 3.27Å; G664-L666 PolarHBondContact O-N 3.44Å; L666-Q668 VanDerWaalsContact C-N 3.33Å; L666-Q668 PolarHBondContact O-N 3.48Å; L666-L669 PolarHBondContact O-N 3.07Å; L666-Q670 HydrophobicContact CD1-CG 4.09Å; L666-Q670 HydrophobicContact CG-CG 4.34Å; L666-Q670 WeakPolarHBondContact O-CB 3.16Å; L666-Q670 WeakPolarHBondContact O-CG 3.29Å; L666-Q670 PolarHBondContact O-N 3.19Å; L666-L675 HydrophobicContact CD1-CB 4.32Å; L666-L675 HydrophobicContact CD1-CD2 3.57Å |
| 667 | D | 92.1 | Very high | 92.3 | Very high | 110 Ų | 110 | 60.8 Ų | 60.8 | 59% | 0.588 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -63.3 | -43.1 | -179.9 | -61.2 | -37.4 | 0 | 0 | 0 | 110.4 | I665 L669 Q670 T671 | I665-D667 VanDerWaalsContact C-N 3.32Å; I665-D667 PolarHBondContact O-N 3.37Å; D667-L669 PolarHBondContact O-N 3.06Å; D667-Q670 PolarHBondContact O-N 2.69Å; D667-T671 VanDerWaalsContact O-CG2 3.31Å; D667-T671 WeakPolarHBondContact O-CG2 3.44Å; D667-T671 PolarHBondContact O-N 3.23Å; D667-T671 VanDerWaalsContact O-N 3.15Å |
| 668 | Q | 91.6 | Very high | 92.1 | Very high | 107 Ų | 107 | 61.1 Ų | 61.1 | 50% | 0.5 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -61.9 | -43.2 | 174.6 | -63 | -177.7 | -10.8 | 0 | 0 | 111.8 | L633 I665 L666 T671 H672 | L633-Q668 HydrophobicContact CD1-CB 3.89Å; L633-Q668 HydrophobicContact CD2-CB 4.32Å; I665-Q668 PolarHBondContact O-N 2.91Å; L666-Q668 VanDerWaalsContact C-N 3.33Å; L666-Q668 PolarHBondContact O-N 3.48Å; Q668-T671 WeakPolarHBondContact O-CB 3.22Å; Q668-T671 PolarHBondContact O-N 3.09Å; Q668-T671 PolarHBondContact O-OG1 2.9Å; Q668-H672 PolarHBondContact O-CD2 2.89Å |
| 669 | L | 91.3 | Very high | 91.8 | Very high | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -65.2 | -41.3 | 179.4 | -173.9 | 153.7 | 0 | 0 | 0 | 110.9 | L632 L633 L660 I665 L666 D667 T671 H672 K673 L675 I703 | L632-L669 HydrophobicContact CB-CD1 4.29Å; L633-L669 HydrophobicContact CD1-CB 4.14Å; L660-L669 HydrophobicContact CD2-CD1 4.39Å; I665-L669 VanDerWaalsContact O-CB 3.27Å; I665-L669 WeakPolarHBondContact O-CB 3.29Å; I665-L669 PolarHBondContact O-N 3.45Å; L666-L669 PolarHBondContact O-N 3.07Å; D667-L669 PolarHBondContact O-N 3.06Å; L669-T671 VanDerWaalsContact C-N 3.26Å; L669-T671 PolarHBondContact O-N 3.28Å; L669-H672 PolarHBondContact O-N 3.11Å; L669-K673 WeakPolarHBondContact CD2-O 3.43Å; L669-K673 PolarHBondContact O-N 2.61Å; L669-K673 VanDerWaalsContact O-O 3.07Å; L669-L675 HydrophobicContact CD2-CB 4.33Å; L669-I703 HydrophobicContact CD1-CD1 3.91Å; L669-I703 HydrophobicContact CD2-CD1 3.56Å; L669-I703 HydrophobicContact CD2-CG1 4.4Å; L669-I703 HydrophobicContact CG-CD1 3.88Å |
| 670 | Q | 90.2 | Very high | 91.3 | Very high | 92 Ų | 92 | 62 Ų | 62 | 43% | 0.43 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -68.2 | -20.5 | 177.2 | -74.5 | -176 | -25 | 0 | 0 | 113.8 | L666 D667 H672 K673 | L666-Q670 HydrophobicContact CD1-CG 4.09Å; L666-Q670 HydrophobicContact CG-CG 4.34Å; L666-Q670 WeakPolarHBondContact O-CB 3.16Å; L666-Q670 WeakPolarHBondContact O-CG 3.29Å; L666-Q670 PolarHBondContact O-N 3.19Å; D667-Q670 PolarHBondContact O-N 2.69Å; Q670-H672 PolarHBondContact O-N 3.44Å; Q670-K673 WeakPolarHBondContact CA-O 3.25Å |
| 671 | T | 87.9 | Confident | 90.7 | Very high | 109 Ų | 109 | 68 Ų | 68 | 67% | 0.669 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -65.9 | -28.4 | 168 | 71.6 | 0 | 0 | 0 | 0 | 112.8 | D667 Q668 L669 | D667-T671 VanDerWaalsContact O-CG2 3.31Å; D667-T671 WeakPolarHBondContact O-CG2 3.44Å; D667-T671 PolarHBondContact O-N 3.23Å; D667-T671 VanDerWaalsContact O-N 3.15Å; Q668-T671 WeakPolarHBondContact O-CB 3.22Å; Q668-T671 PolarHBondContact O-N 3.09Å; Q668-T671 PolarHBondContact O-OG1 2.9Å; L669-T671 VanDerWaalsContact C-N 3.26Å; L669-T671 PolarHBondContact O-N 3.28Å |
| 672 | H | 85.8 | Confident | 89.9 | Confident | 91 Ų | 91 | 64.8 Ų | 64.8 | 42% | 0.421 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -94.3 | -49.5 | 179.5 | -67.7 | -69.5 | 0 | 0 | 0 | 112.1 | Q668 L669 Q670 | Q668-H672 PolarHBondContact O-CD2 2.89Å; L669-H672 PolarHBondContact O-N 3.11Å; Q670-H672 PolarHBondContact O-N 3.44Å |
| 673 | K | 92.9 | Very high | 89.3 | Confident | 5 Ų | 5 | 65.3 Ų | 65.3 | 2% | 0.022 | 33% | 0.332 | C | S | . | . | S | Bend | trans | -148.6 | 135.9 | -174.6 | -65.6 | -171.5 | -168.3 | -78.7 | 0 | 111.5 | S636 V639 G641 I643 L669 Q670 N700 G701 I703 | S636-K673 WeakPolarHBondContact O-CE 3.27Å; V639-K673 WeakPolarHBondContact O-CE 3.5Å; V639-K673 PolarHBondContact O-NZ 3.1Å; G641-K673 PolarHBondContact O-NZ 3.33Å; I643-K673 HydrophobicContact CD1-CD 4.09Å; I643-K673 HydrophobicContact CG1-CD 4.37Å; L669-K673 WeakPolarHBondContact CD2-O 3.43Å; L669-K673 PolarHBondContact O-N 2.61Å; L669-K673 VanDerWaalsContact O-O 3.07Å; Q670-K673 WeakPolarHBondContact CA-O 3.25Å; K673-N700 PolarHBondContact NZ-O 3.18Å; K673-G701 WeakPolarHBondContact CA-O 3.37Å; K673-G701 WeakPolarHBondContact CB-O 3.14Å; K673-G701 WeakPolarHBondContact CG-O 3.35Å; K673-I703 HydrophobicContact CB-CD1 4.35Å; K673-I703 HydrophobicContact CB-CG1 3.86Å; K673-I703 HydrophobicContact CD-CG1 4Å |
| 674 | Q | 93 | Very high | 89 | Confident | 94 Ų | 94 | 66.9 Ų | 66.9 | 44% | 0.439 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 140.9 | 174.9 | -64.3 | -173.7 | 14.9 | 0 | 0 | 111.3 | F676 A695 A702 I703 | Q674-F676 HydrophobicContact CB-CE2 3.78Å; Q674-F676 HydrophobicContact CB-CZ 4.36Å; Q674-A695 HydrophobicContact CB-CB 4.43Å; Q674-A702 CarbonylContact O-C 3.58Å; Q674-A702 WeakPolarHBondContact O-CA 3.36Å; Q674-I703 PolarHBondContact O-N 3.12Å |
| 675 | L | 94.1 | Very high | 88.6 | Confident | 31 Ų | 31 | 66.2 Ų | 66.2 | 16% | 0.162 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 123.6 | -179.4 | 178.8 | 65.1 | 0 | 0 | 0 | 111.4 | L660 L666 L669 I703 F705 | L660-L675 HydrophobicContact CD1-CD2 4.45Å; L666-L675 HydrophobicContact CD1-CB 4.32Å; L666-L675 HydrophobicContact CD1-CD2 3.57Å; L669-L675 HydrophobicContact CD2-CB 4.33Å; L675-I703 CarbonylContact C-O 3.57Å; L675-I703 WeakPolarHBondContact CA-O 3.21Å; L675-I703 HydrophobicContact CD1-CB 3.98Å; L675-I703 HydrophobicContact CD1-CG2 3.89Å; L675-F705 HydrophobicContact CD1-CD1 3.66Å; L675-F705 HydrophobicContact CD1-CD2 4Å; L675-F705 HydrophobicContact CD1-CE1 3.61Å; L675-F705 HydrophobicContact CD1-CE2 3.94Å; L675-F705 HydrophobicContact CD1-CG 3.87Å; L675-F705 HydrophobicContact CD1-CZ 3.75Å; L675-F705 HydrophobicContact CD2-CE2 4.11Å; L675-F705 HydrophobicContact CD2-CZ 4.39Å |
| 676 | F | 94.6 | Very high | 88.3 | Confident | 31 Ų | 31 | 71 Ų | 71 | 14% | 0.136 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 149.2 | 174.8 | -64.3 | -91.1 | 0 | 0 | 0 | 110.5 | Q674 L688 N691 Y692 A695 A702 I703 L704 F705 | Q674-F676 HydrophobicContact CB-CE2 3.78Å; Q674-F676 HydrophobicContact CB-CZ 4.36Å; F676-L688 HydrophobicContact CB-CD1 4.43Å; F676-N691 HydrophobicContact CE1-CB 3.77Å; F676-N691 HydrophobicContact CZ-CB 4.39Å; F676-N691 WeakPolarHBondContact CZ-O 3.4Å; F676-Y692 HydrophobicContact CB-CD2 4.44Å; F676-Y692 AromaticContact CD2-CD2 3.72Å; F676-Y692 HydrophobicContact CD2-CD2 3.72Å; F676-Y692 HydrophobicContact CE2-CD2 4.28Å; F676-Y692 HydrophobicContact CG-CD2 4.22Å; F676-A695 HydrophobicContact CE2-CB 3.59Å; F676-A695 HydrophobicContact CZ-CB 3.72Å; F676-A702 HydrophobicContact CD2-CB 4.08Å; F676-A702 HydrophobicContact CE2-CB 3.92Å; F676-I703 PolarHBondContact N-O 3.41Å; F676-L704 HydrophobicContact CB-CD1 3.95Å; F676-F705 PolarHBondContact O-N 2.77Å |
| 677 | R | 93.9 | Very high | 88.1 | Confident | 84 Ų | 84 | 76.1 Ų | 76.1 | 32% | 0.317 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 131.5 | -177.1 | -62.7 | 174.4 | 65.4 | -152.2 | 1.7 | 110.5 | E653 Q654 S657 L688 F705 | E653-R677 IonicContact OE1-CZ 2.61Å; E653-R677 IonicContact OE1-NE 3.13Å; E653-R677 PolarHBondContact OE1-NE 3.23Å; E653-R677 IonicContact OE1-NH2 3.89Å; E653-R677 PolarHBondContact OE1-NH2 3.48Å; E653-R677 IonicContact OE2-CZ 2.86Å; E653-R677 IonicContact OE2-NE 3.14Å; E653-R677 PolarHBondContact OE2-NE 2.84Å; E653-R677 IonicContact OE2-NH2 2.72Å; E653-R677 PolarHBondContact OE2-NH2 2.81Å; Q654-R677 VanDerWaalsContact OE1-NH2 3.11Å; S657-R677 PolarHBondContact OG-NE 2.87Å; R677-L688 WeakPolarHBondContact O-CD1 3.48Å; R677-F705 HydrophobicContact CG-CB 4.36Å; R677-F705 HydrophobicContact CG-CD2 4.5Å |
| 678 | E | 90.8 | Very high | 88 | Confident | 11 Ų | 11 | 71.9 Ų | 71.9 | 5% | 0.051 | 35% | 0.351 | C | S | . | . | trans | -54.8 | 123.6 | 178 | 177.3 | 175.8 | 171 | 0 | 0 | 112 | Y650 F705 A706 V707 K711 M712 | Y650-E678 HydrophobicContact CE1-CB 4.47Å; Y650-E678 HydrophobicContact CE1-CG 4.05Å; Y650-E678 PolarHBondContact OH-OE1 3.38Å; E678-F705 WeakPolarHBondContact CB-O 3.31Å; E678-F705 PolarHBondContact N-O 3.32Å; E678-A706 WeakPolarHBondContact OE2-CA 3.25Å; E678-V707 PolarHBondContact OE2-N 2.84Å; E678-K711 PolarHBondContact OE1-N 2.86Å; E678-M712 HydrophobicContact CB-CG 3.99Å; E678-M712 HydrophobicContact CG-CB 4.42Å; E678-M712 HydrophobicContact CG-CG 3.42Å; E678-M712 VanDerWaalsContact CG-CG 3.42Å; E678-M712 PolarHBondContact OE1-N 2.89Å | ||
| 679 | P | 88.1 | Confident | 87.8 | Confident | 18 Ų | 18 | 68.9 Ų | 68.9 | 12% | 0.117 | 34% | 0.338 | C | S | . | . | trans | -73.6 | 151.8 | 177.3 | 30.3 | -36.3 | 0 | 0 | 0 | 111.2 | K681 E684 I685 | P679-K681 VanDerWaalsContact C-N 3.31Å; P679-K681 PolarHBondContact O-N 2.8Å; P679-E684 HydrophobicContact CB-CB 3.76Å; P679-E684 WeakPolarHBondContact CB-OE2 3.41Å; P679-E684 HydrophobicContact CG-CB 3.79Å; P679-I685 HydrophobicContact CG-CG1 3.83Å | ||
| 680 | R | 83.7 | Confident | 87.8 | Confident | 174 Ų | 174 | 74.5 Ų | 74.5 | 66% | 0.657 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -71.4 | -26.4 | 174.5 | -67.7 | -172.6 | -179.8 | -174.3 | 1 | 112.5 | K711 | R680-K711 PolarHBondContact O-NZ 2.77Š|
| 681 | K | 82.4 | Confident | 87.8 | Confident | 125 Ų | 125 | 73.7 Ų | 73.7 | 54% | 0.543 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -96.1 | 140.8 | -178.8 | -58 | -175.4 | -171.6 | 161 | 0 | 111.2 | P679 N683 E684 | P679-K681 VanDerWaalsContact C-N 3.31Å; P679-K681 PolarHBondContact O-N 2.8Å; K681-N683 VanDerWaalsContact C-N 3.34Å; K681-N683 WeakPolarHBondContact CB-OD1 3.49Å; K681-N683 PolarHBondContact O-N 2.76Å; K681-E684 HydrophobicContact CB-CG 4.49Å; K681-E684 IonicContact NZ-OE1 2.67Å |
| 682 | A | 76.3 | Confident | 88.1 | Confident | 60 Ų | 60 | 68.5 Ų | 68.5 | 50% | 0.496 | 33% | 0.334 | S | S | . | . | G | 310 helix | trans | -72.9 | -26.1 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | E684 K711 | A682-E684 VanDerWaalsContact C-N 3.33Å; A682-E684 PolarHBondContact O-N 3.05Å; A682-K711 HydrophobicContact CB-CD 4.01Å; A682-K711 VanDerWaalsContact N-NZ 3.14Å |
| 683 | N | 81.2 | Confident | 88.3 | Confident | 121 Ų | 121 | 64.8 Ų | 64.8 | 65% | 0.647 | 32% | 0.321 | S | S | * | . | G | 310 helix | trans | -72 | -23.8 | -179.8 | 60.4 | -30.8 | 0 | 0 | 0 | 113.5 | K681 I685 | K681-N683 VanDerWaalsContact C-N 3.34Å; K681-N683 WeakPolarHBondContact CB-OD1 3.49Å; K681-N683 PolarHBondContact O-N 2.76Å; N683-I685 VanDerWaalsContact C-N 3.35Å |
| 684 | E | 83.9 | Confident | 88.2 | Confident | 78 Ų | 78 | 69.4 Ų | 69.4 | 36% | 0.364 | 35% | 0.346 | S | S | . | . | G | 310 helix | trans | -83.8 | -10.7 | -179.4 | -67.9 | 166.3 | -168.3 | 0 | 0 | 112.6 | P679 K681 A682 L688 | P679-E684 HydrophobicContact CB-CB 3.76Å; P679-E684 WeakPolarHBondContact CB-OE2 3.41Å; P679-E684 HydrophobicContact CG-CB 3.79Å; K681-E684 HydrophobicContact CB-CG 4.49Å; K681-E684 IonicContact NZ-OE1 2.67Å; A682-E684 VanDerWaalsContact C-N 3.33Å; A682-E684 PolarHBondContact O-N 3.05Å; E684-L688 PolarHBondContact O-N 3.1Å |
| 685 | I | 83.1 | Confident | 88.1 | Confident | 14 Ų | 14 | 65 Ų | 65 | 7% | 0.072 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -65.6 | -43.3 | -174.8 | -70.1 | 174.2 | 0 | 0 | 0 | 112.4 | P679 N683 E687 L688 L689 K711 M712 I716 | P679-I685 HydrophobicContact CG-CG1 3.83Å; N683-I685 VanDerWaalsContact C-N 3.35Å; I685-E687 VanDerWaalsContact C-N 3.34Å; I685-E687 PolarHBondContact O-N 2.97Å; I685-L688 PolarHBondContact O-N 3.22Å; I685-L689 HydrophobicContact CG2-CD1 4.19Å; I685-L689 HydrophobicContact CG2-CG 4.4Å; I685-L689 WeakPolarHBondContact O-CG 3.42Å; I685-L689 PolarHBondContact O-N 3.06Å; I685-K711 HydrophobicContact CD1-CB 3.42Å; I685-K711 VanDerWaalsContact CD1-CB 3.42Å; I685-K711 HydrophobicContact CD1-CD 3.67Å; I685-K711 HydrophobicContact CD1-CG 4.18Å; I685-M712 HydrophobicContact CB-SD 4.37Å; I685-M712 HydrophobicContact CD1-SD 4.42Å; I685-M712 HydrophobicContact CG1-SD 4.2Å; I685-M712 HydrophobicContact CG2-SD 3.46Å; I685-M712 WeakPolarHBondContact CG2-SD 3.3Å; I685-I716 HydrophobicContact CG2-CD1 3.82Å |
| 686 | N | 84.8 | Confident | 88 | Confident | 115 Ų | 115 | 64.3 Ų | 64.3 | 62% | 0.615 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -65.3 | -40.2 | -176.1 | -69.1 | -27.5 | 0 | 0 | 0 | 111.6 | L689 L690 | N686-L689 PolarHBondContact O-N 3.24Å; N686-L690 WeakPolarHBondContact O-CG 3.45Å; N686-L690 PolarHBondContact O-N 3.32Å; N686-L690 VanDerWaalsContact O-N 3.15Å |
| 687 | E | 89.1 | Confident | 87.6 | Confident | 129 Ų | 129 | 67.9 Ų | 67.9 | 60% | 0.603 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -65 | -42.9 | 176 | -172.7 | -179.1 | 171.1 | 0 | 0 | 111.2 | I685 L689 L690 N691 | I685-E687 VanDerWaalsContact C-N 3.34Å; I685-E687 PolarHBondContact O-N 2.97Å; E687-L689 VanDerWaalsContact C-N 3.35Å; E687-L689 PolarHBondContact O-N 3.46Å; E687-L690 PolarHBondContact O-N 3.11Å; E687-N691 PolarHBondContact O-N 3.1Å; E687-N691 VanDerWaalsContact O-N 3.07Å; E687-N691 PolarHBondContact O-ND2 3.16Å |
| 688 | L | 90 | Very high | 87.2 | Confident | 21 Ų | 21 | 68.5 Ų | 68.5 | 11% | 0.11 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -59.9 | -44.3 | 175.1 | 179.1 | 149.5 | 0 | 0 | 0 | 112.1 | F676 R677 E684 I685 L690 N691 Y692 L704 M712 | F676-L688 HydrophobicContact CB-CD1 4.43Å; R677-L688 WeakPolarHBondContact O-CD1 3.48Å; E684-L688 PolarHBondContact O-N 3.1Å; I685-L688 PolarHBondContact O-N 3.22Å; L688-L690 VanDerWaalsContact C-N 3.33Å; L688-L690 PolarHBondContact O-N 3.47Å; L688-N691 PolarHBondContact O-N 2.96Å; L688-Y692 VanDerWaalsContact O-CB 3.26Å; L688-Y692 WeakPolarHBondContact O-CB 3.33Å; L688-Y692 PolarHBondContact O-N 3.45Å; L688-L704 HydrophobicContact CD2-CD1 3.79Å; L688-M712 HydrophobicContact CD2-CE 3.97Å |
| 689 | L | 87.7 | Confident | 86.4 | Confident | 44 Ų | 44 | 69.9 Ų | 69.9 | 23% | 0.23 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -63.7 | -38.7 | -179.5 | -78.9 | 179 | 0 | 0 | 0 | 112.6 | I685 N686 E687 Y692 G693 M712 I716 F718 | I685-L689 HydrophobicContact CG2-CD1 4.19Å; I685-L689 HydrophobicContact CG2-CG 4.4Å; I685-L689 WeakPolarHBondContact O-CG 3.42Å; I685-L689 PolarHBondContact O-N 3.06Å; N686-L689 PolarHBondContact O-N 3.24Å; E687-L689 VanDerWaalsContact C-N 3.35Å; E687-L689 PolarHBondContact O-N 3.46Å; L689-Y692 PolarHBondContact O-N 3.11Å; L689-G693 PolarHBondContact O-N 2.85Å; L689-M712 HydrophobicContact CD2-CE 3.51Å; L689-M712 HydrophobicContact CG-CE 4.04Å; L689-I716 HydrophobicContact CD1-CD1 4.05Å; L689-I716 HydrophobicContact CD1-CG2 3.86Å; L689-I716 HydrophobicContact CD2-CG2 3.99Å; L689-F718 HydrophobicContact CD2-CE1 4.17Å |
| 690 | L | 89.4 | Confident | 86.1 | Confident | 117 Ų | 117 | 76 Ų | 76 | 61% | 0.613 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -62.7 | -51 | 174.7 | -70.3 | 170.5 | 0 | 0 | 0 | 110.5 | N686 E687 L688 Y692 G693 D694 | N686-L690 WeakPolarHBondContact O-CG 3.45Å; N686-L690 PolarHBondContact O-N 3.32Å; N686-L690 VanDerWaalsContact O-N 3.15Å; E687-L690 PolarHBondContact O-N 3.11Å; L688-L690 VanDerWaalsContact C-N 3.33Å; L688-L690 PolarHBondContact O-N 3.47Å; L690-Y692 VanDerWaalsContact C-N 3.29Å; L690-Y692 PolarHBondContact O-N 2.69Å; L690-G693 PolarHBondContact O-N 3.25Å; L690-G693 VanDerWaalsContact O-N 3.15Å; L690-D694 PolarHBondContact O-N 3.44Å |
| 691 | N | 92.1 | Very high | 86.4 | Confident | 75 Ų | 75 | 67.7 Ų | 67.7 | 40% | 0.401 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -61.2 | -37.8 | 178.4 | -66.7 | -28 | 0 | 0 | 0 | 112.6 | F676 E687 L688 A695 | F676-N691 HydrophobicContact CE1-CB 3.77Å; F676-N691 HydrophobicContact CZ-CB 4.39Å; F676-N691 WeakPolarHBondContact CZ-O 3.4Å; E687-N691 PolarHBondContact O-N 3.1Å; E687-N691 VanDerWaalsContact O-N 3.07Å; E687-N691 PolarHBondContact O-ND2 3.16Å; L688-N691 PolarHBondContact O-N 2.96Å; N691-A695 WeakPolarHBondContact O-CB 3.31Å; N691-A695 PolarHBondContact O-N 3.42Å |
| 692 | Y | 93 | Very high | 87 | Confident | 1 Ų | 1 | 61.8 Ų | 61.8 | 0% | 0.004 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -65.2 | -44.8 | 174.9 | 175.7 | -105.9 | 0 | 0 | 0 | 111.8 | G642 F676 L688 L689 L690 A695 I696 A702 L704 F718 L722 | G642-Y692 WeakPolarHBondContact CA-OH 3.18Å; F676-Y692 HydrophobicContact CB-CD2 4.44Å; F676-Y692 AromaticContact CD2-CD2 3.72Å; F676-Y692 HydrophobicContact CD2-CD2 3.72Å; F676-Y692 HydrophobicContact CE2-CD2 4.28Å; F676-Y692 HydrophobicContact CG-CD2 4.22Å; L688-Y692 VanDerWaalsContact O-CB 3.26Å; L688-Y692 WeakPolarHBondContact O-CB 3.33Å; L688-Y692 PolarHBondContact O-N 3.45Å; L689-Y692 PolarHBondContact O-N 3.11Å; L690-Y692 VanDerWaalsContact C-N 3.29Å; L690-Y692 PolarHBondContact O-N 2.69Å; Y692-A695 PolarHBondContact O-N 3.19Å; Y692-I696 HydrophobicContact CD1-CD1 3.89Å; Y692-I696 HydrophobicContact CD2-CD1 4.31Å; Y692-I696 HydrophobicContact CE1-CD1 3.36Å; Y692-I696 HydrophobicContact CE2-CD1 3.82Å; Y692-I696 HydrophobicContact CE2-CG1 4.49Å; Y692-I696 HydrophobicContact CG-CD1 4.35Å; Y692-I696 WeakPolarHBondContact O-CG1 3.43Å; Y692-I696 PolarHBondContact O-N 3.38Å; Y692-A702 HydrophobicContact CD2-CB 3.62Å; Y692-A702 HydrophobicContact CE2-CB 3.54Å; Y692-L704 HydrophobicContact CD2-CB 4.08Å; Y692-L704 HydrophobicContact CE2-CB 3.59Å; Y692-F718 HydrophobicContact CE1-CD1 4.23Å; Y692-F718 HydrophobicContact CE1-CE1 4.26Å; Y692-L722 HydrophobicContact CD1-CD2 4.41Å; Y692-L722 HydrophobicContact CE1-CB 4.5Å; Y692-L722 HydrophobicContact CE1-CD2 4.4Å; Y692-L722 WeakPolarHBondContact CE1-O 3.42Å; Y692-L722 PolarHBondContact OH-O 3.43Å |
| 693 | G | 90.9 | Very high | 87.9 | Confident | 13 Ų | 13 | 59 Ų | 59 | 13% | 0.134 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -62.8 | -40.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | L689 L690 I696 S697 | L689-G693 PolarHBondContact O-N 2.85Å; L690-G693 PolarHBondContact O-N 3.25Å; L690-G693 VanDerWaalsContact O-N 3.15Å; G693-I696 PolarHBondContact O-N 2.72Å; G693-S697 PolarHBondContact O-N 2.9Å; G693-S697 PolarHBondContact O-OG 3.34Å |
| 694 | D | 91.2 | Very high | 88.5 | Confident | 102 Ų | 102 | 53.2 Ų | 53.2 | 55% | 0.545 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -65.5 | -42.9 | 176 | -72.7 | -17.7 | 0 | 0 | 0 | 111.4 | L690 I696 S697 S698 | L690-D694 PolarHBondContact O-N 3.44Å; D694-I696 VanDerWaalsContact C-N 3.32Å; D694-I696 PolarHBondContact O-N 3.32Å; D694-S697 PolarHBondContact O-N 3.5Å; D694-S698 VanDerWaalsContact O-CB 3.28Å; D694-S698 WeakPolarHBondContact O-CB 3.28Å; D694-S698 PolarHBondContact O-N 3.25Å; D694-S698 PolarHBondContact O-OG 2.83Å |
| 695 | A | 90.9 | Very high | 89.1 | Confident | 2 Ų | 2 | 49.5 Ų | 49.5 | 2% | 0.017 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.9 | -39.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q674 F676 N691 Y692 S697 S699 A702 | Q674-A695 HydrophobicContact CB-CB 4.43Å; F676-A695 HydrophobicContact CE2-CB 3.59Å; F676-A695 HydrophobicContact CZ-CB 3.72Å; N691-A695 WeakPolarHBondContact O-CB 3.31Å; N691-A695 PolarHBondContact O-N 3.42Å; Y692-A695 PolarHBondContact O-N 3.19Å; A695-S697 VanDerWaalsContact C-N 3.32Å; A695-S697 PolarHBondContact O-N 3.08Å; A695-S699 WeakPolarHBondContact O-CB 3.34Å; A695-S699 PolarHBondContact O-N 3.01Å; A695-S699 PolarHBondContact O-OG 2.73Å; A695-A702 HydrophobicContact CB-CB 4.06Å |
| 696 | I | 90.5 | Very high | 89.5 | Confident | 16 Ų | 16 | 48.8 Ų | 48.8 | 8% | 0.082 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -66.9 | -35.3 | 176.3 | -71.3 | 174.2 | 0 | 0 | 0 | 112.2 | Y692 G693 D694 A702 N721 L722 | Y692-I696 HydrophobicContact CD1-CD1 3.89Å; Y692-I696 HydrophobicContact CD2-CD1 4.31Å; Y692-I696 HydrophobicContact CE1-CD1 3.36Å; Y692-I696 HydrophobicContact CE2-CD1 3.82Å; Y692-I696 HydrophobicContact CE2-CG1 4.49Å; Y692-I696 HydrophobicContact CG-CD1 4.35Å; Y692-I696 WeakPolarHBondContact O-CG1 3.43Å; Y692-I696 PolarHBondContact O-N 3.38Å; G693-I696 PolarHBondContact O-N 2.72Å; D694-I696 VanDerWaalsContact C-N 3.32Å; D694-I696 PolarHBondContact O-N 3.32Å; I696-A702 HydrophobicContact CD1-CB 4.29Å; I696-A702 HydrophobicContact CG1-CB 3.66Å; I696-N721 HydrophobicContact CG2-CB 3.86Å; I696-N721 WeakPolarHBondContact CG2-O 3.49Å; I696-L722 HydrophobicContact CD1-CD2 4.12Å |
| 697 | S | 86.9 | Confident | 89.8 | Confident | 105 Ų | 105 | 43.8 Ų | 43.8 | 73% | 0.734 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -79.4 | -32.3 | -178.6 | -54.9 | 0 | 0 | 0 | 0 | 112.6 | G693 D694 A695 | G693-S697 PolarHBondContact O-N 2.9Å; G693-S697 PolarHBondContact O-OG 3.34Å; D694-S697 PolarHBondContact O-N 3.5Å; A695-S697 VanDerWaalsContact C-N 3.32Å; A695-S697 PolarHBondContact O-N 3.08Å |
| 698 | S | 84.3 | Confident | 89.7 | Confident | 97 Ų | 97 | 38.4 Ų | 38.4 | 68% | 0.678 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -93.9 | -21.5 | -175.6 | 58.7 | 0 | 0 | 0 | 0 | 114.5 | D694 | D694-S698 VanDerWaalsContact O-CB 3.28Å; D694-S698 WeakPolarHBondContact O-CB 3.28Å; D694-S698 PolarHBondContact O-N 3.25Å; D694-S698 PolarHBondContact O-OG 2.83Å |
| 699 | S | 75.4 | Confident | 89.1 | Confident | 41 Ų | 41 | 40.1 Ų | 40.1 | 29% | 0.287 | 25% | 0.25 | S | S | . | . | S | Bend | trans | -124.6 | 179.7 | -178.3 | 77.5 | 0 | 0 | 0 | 0 | 111.7 | A695 G701 | A695-S699 WeakPolarHBondContact O-CB 3.34Å; A695-S699 PolarHBondContact O-N 3.01Å; A695-S699 PolarHBondContact O-OG 2.73Å; S699-G701 PolarHBondContact O-N 3.29Å; S699-G701 PolarHBondContact OG-N 3.5Å; S699-G701 PolarHBondContact OG-O 2.61Å |
| 700 | N | 80.8 | Confident | 88.3 | Confident | 146 Ų | 146 | 38.4 Ų | 38.4 | 78% | 0.781 | 24% | 0.243 | S | C | * | . | S | Bend | trans | -68.1 | 2.6 | 175.1 | -76.8 | -11.3 | 0 | 0 | 0 | 113.6 | K673 | K673-N700 PolarHBondContact NZ-O 3.18Š|
| 701 | G | 90.2 | Very high | 87.4 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 23% | 0.232 | C | C | . | . | trans | 138.6 | -178.3 | 172 | 0 | 0 | 0 | 0 | 0 | 113.6 | G641 K673 S699 | G641-G701 VanDerWaalsContact O-CA 3.3Å; G641-G701 WeakPolarHBondContact O-CA 3.35Å; K673-G701 WeakPolarHBondContact CA-O 3.37Å; K673-G701 WeakPolarHBondContact CB-O 3.14Å; K673-G701 WeakPolarHBondContact CG-O 3.35Å; S699-G701 PolarHBondContact O-N 3.29Å; S699-G701 PolarHBondContact OG-N 3.5Å; S699-G701 PolarHBondContact OG-O 2.61Å | ||
| 702 | A | 94.4 | Very high | 86.2 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 159.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | G642 I643 Q674 F676 Y692 A695 I696 | G642-A702 CarbonylContact C-O 3.54Å; G642-A702 WeakPolarHBondContact CA-O 3.33Å; I643-A702 PolarHBondContact N-O 3.13Å; Q674-A702 CarbonylContact O-C 3.58Å; Q674-A702 WeakPolarHBondContact O-CA 3.36Å; F676-A702 HydrophobicContact CD2-CB 4.08Å; F676-A702 HydrophobicContact CE2-CB 3.92Å; Y692-A702 HydrophobicContact CD2-CB 3.62Å; Y692-A702 HydrophobicContact CE2-CB 3.54Å; A695-A702 HydrophobicContact CB-CB 4.06Å; I696-A702 HydrophobicContact CD1-CB 4.29Å; I696-A702 HydrophobicContact CG1-CB 3.66Å |
| 703 | I | 95.4 | Very high | 84.7 | Confident | 1 Ų | 1 | 33.4 Ų | 33.4 | 1% | 0.005 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 130.6 | 172.7 | -52.5 | -174.1 | 0 | 0 | 0 | 108 | I643 L669 K673 Q674 L675 F676 F705 | I643-I703 HydrophobicContact CB-CG1 4.26Å; I643-I703 HydrophobicContact CB-CG2 4.41Å; I643-I703 HydrophobicContact CD1-CD1 4.4Å; I643-I703 HydrophobicContact CD1-CG1 4.31Å; I643-I703 CarbonylContact O-C 3.57Å; I643-I703 WeakPolarHBondContact O-CA 3.45Å; L669-I703 HydrophobicContact CD1-CD1 3.91Å; L669-I703 HydrophobicContact CD2-CD1 3.56Å; L669-I703 HydrophobicContact CD2-CG1 4.4Å; L669-I703 HydrophobicContact CG-CD1 3.88Å; K673-I703 HydrophobicContact CB-CD1 4.35Å; K673-I703 HydrophobicContact CB-CG1 3.86Å; K673-I703 HydrophobicContact CD-CG1 4Å; Q674-I703 PolarHBondContact O-N 3.12Å; L675-I703 CarbonylContact C-O 3.57Å; L675-I703 WeakPolarHBondContact CA-O 3.21Å; L675-I703 HydrophobicContact CD1-CB 3.98Å; L675-I703 HydrophobicContact CD1-CG2 3.89Å; F676-I703 PolarHBondContact N-O 3.41Å; I703-F705 HydrophobicContact CG2-CD1 3.92Å; I703-F705 HydrophobicContact CG2-CE1 3.69Å |
| 704 | L | 94.7 | Very high | 83.4 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 121.5 | 174.9 | 176 | 61.8 | 0 | 0 | 0 | 109.9 | I643 V644 C645 F676 L688 Y692 M712 F718 | I643-L704 PolarHBondContact O-N 3.1Å; V644-L704 HydrophobicContact CG1-CD2 4.46Å; V644-L704 HydrophobicContact CG2-CB 4.46Å; C645-L704 PolarHBondContact N-O 3Å; F676-L704 HydrophobicContact CB-CD1 3.95Å; L688-L704 HydrophobicContact CD2-CD1 3.79Å; Y692-L704 HydrophobicContact CD2-CB 4.08Å; Y692-L704 HydrophobicContact CE2-CB 3.59Å; L704-M712 HydrophobicContact CD2-CE 3.72Å; L704-F718 HydrophobicContact CD2-CE1 3.62Å; L704-F718 HydrophobicContact CD2-CZ 3.64Å |
| 705 | F | 95.6 | Very high | 82 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 120.1 | 168.4 | -72.5 | 1.9 | 0 | 0 | 0 | 109.6 | L632 C645 F647 E653 S657 L660 L675 F676 R677 E678 I703 | L632-F705 HydrophobicContact CD1-CE1 4.15Å; L632-F705 HydrophobicContact CD1-CZ 3.83Å; C645-F705 HydrophobicContact CB-CD1 3.72Å; C645-F705 HydrophobicContact CB-CE1 3.95Å; F647-F705 HydrophobicContact CD2-CB 4.35Å; F647-F705 HydrophobicContact CD2-CG 4.46Å; F647-F705 HydrophobicContact CE2-CB 3.82Å; F647-F705 AromaticContact CE2-CD1 3.67Å; F647-F705 HydrophobicContact CE2-CD1 3.67Å; F647-F705 AromaticContact CE2-CD2 3.78Å; F647-F705 HydrophobicContact CE2-CD2 3.78Å; F647-F705 HydrophobicContact CE2-CE1 4.1Å; F647-F705 HydrophobicContact CE2-CE2 4.21Å; F647-F705 AromaticContact CE2-CG 3.49Å; F647-F705 HydrophobicContact CE2-CG 3.49Å; F647-F705 VanDerWaalsContact CE2-CG 3.49Å; F647-F705 HydrophobicContact CE2-CZ 4.36Å; F647-F705 HydrophobicContact CZ-CD1 4.15Å; F647-F705 AromaticContact CZ-CD2 3.95Å; F647-F705 HydrophobicContact CZ-CD2 3.95Å; F647-F705 HydrophobicContact CZ-CE1 4.12Å; F647-F705 AromaticContact CZ-CE2 3.94Å; F647-F705 HydrophobicContact CZ-CE2 3.94Å; F647-F705 HydrophobicContact CZ-CG 4.06Å; F647-F705 HydrophobicContact CZ-CZ 4.02Å; E653-F705 HydrophobicContact CG-CB 3.96Å; E653-F705 HydrophobicContact CG-CD2 4.22Å; E653-F705 WeakPolarHBondContact OE1-CD2 3.41Å; S657-F705 WeakPolarHBondContact OG-CD2 3.36Å; L660-F705 HydrophobicContact CD1-CE2 3.75Å; L660-F705 HydrophobicContact CD1-CZ 3.64Å; L675-F705 HydrophobicContact CD1-CD1 3.66Å; L675-F705 HydrophobicContact CD1-CD2 4Å; L675-F705 HydrophobicContact CD1-CE1 3.61Å; L675-F705 HydrophobicContact CD1-CE2 3.94Å; L675-F705 HydrophobicContact CD1-CG 3.87Å; L675-F705 HydrophobicContact CD1-CZ 3.75Å; L675-F705 HydrophobicContact CD2-CE2 4.11Å; L675-F705 HydrophobicContact CD2-CZ 4.39Å; F676-F705 PolarHBondContact O-N 2.77Å; R677-F705 HydrophobicContact CG-CB 4.36Å; R677-F705 HydrophobicContact CG-CD2 4.5Å; E678-F705 WeakPolarHBondContact CB-O 3.31Å; E678-F705 PolarHBondContact N-O 3.32Å; I703-F705 HydrophobicContact CG2-CD1 3.92Å; I703-F705 HydrophobicContact CG2-CE1 3.69Å |
| 706 | A | 93.1 | Very high | 80.9 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 160.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | V644 C645 F646 F647 E678 M712 | V644-A706 HydrophobicContact CG1-CB 4.44Å; C645-A706 PolarHBondContact O-N 3.3Å; F646-A706 CarbonylContact C-O 3.59Å; F646-A706 VanDerWaalsContact CA-O 3.31Å; F646-A706 WeakPolarHBondContact CA-O 3.15Å; F646-A706 HydrophobicContact CD1-CB 3.86Å; F646-A706 HydrophobicContact CE1-CB 3.82Å; F647-A706 PolarHBondContact N-O 2.87Å; E678-A706 WeakPolarHBondContact OE2-CA 3.25Å; A706-M712 HydrophobicContact CB-CB 4.16Å |
| 707 | V | 91.3 | Very high | 79.9 | Confident | 9 Ų | 9 | 39 Ų | 39 | 6% | 0.055 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 136.1 | 178 | 177.6 | 0 | 0 | 0 | 0 | 110.1 | F647 Y650 E678 G709 G710 | F647-V707 WeakPolarHBondContact O-CA 3.49Å; Y650-V707 HydrophobicContact CD1-CB 4.4Å; Y650-V707 HydrophobicContact CD1-CG2 3.51Å; Y650-V707 HydrophobicContact CD2-CG1 4.39Å; Y650-V707 HydrophobicContact CD2-CG2 4.2Å; Y650-V707 HydrophobicContact CE1-CB 4.18Å; Y650-V707 HydrophobicContact CE1-CG2 3.69Å; Y650-V707 HydrophobicContact CE2-CB 4.32Å; Y650-V707 HydrophobicContact CE2-CG1 4.37Å; Y650-V707 HydrophobicContact CE2-CG2 4.36Å; Y650-V707 HydrophobicContact CG-CG2 3.78Å; E678-V707 PolarHBondContact OE2-N 2.84Å; V707-G709 PolarHBondContact O-N 2.78Å; V707-G710 WeakPolarHBondContact O-CA 3.46Å; V707-G710 PolarHBondContact O-N 3.19Å |
| 708 | V | 86.7 | Confident | 79.4 | Confident | 17 Ų | 17 | 34.1 Ų | 34.1 | 10% | 0.103 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | 132.3 | 173.7 | -177.7 | 0 | 0 | 0 | 0 | 109.6 | F646 F647 G710 P732 A766 | F646-V708 HydrophobicContact CB-CG2 3.7Å; F646-V708 HydrophobicContact CD1-CG2 4.49Å; F646-V708 HydrophobicContact CG-CG2 4.41Å; F647-V708 PolarHBondContact O-N 2.89Å; V708-G710 PolarHBondContact O-N 3.41Å; V708-P732 HydrophobicContact CB-CB 4.02Å; V708-P732 HydrophobicContact CB-CG 4.26Å; V708-P732 HydrophobicContact CG1-CB 4.05Å; V708-P732 HydrophobicContact CG1-CG 3.88Å; V708-P732 HydrophobicContact CG2-CB 4.25Å; V708-P732 HydrophobicContact CG2-CG 4.25Å; V708-A766 HydrophobicContact CG1-CB 3.44Å; V708-A766 VanDerWaalsContact CG1-CB 3.44Å |
| 709 | G | 77.1 | Confident | 79.1 | Confident | 57 Ų | 57 | 31.7 Ų | 31.7 | 59% | 0.588 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 70.1 | 1 | -171.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | V707 S713 | V707-G709 PolarHBondContact O-N 2.78Å; G709-S713 WeakPolarHBondContact CA-OG 3.12Å; G709-S713 PolarHBondContact N-OG 3.46Å |
| 710 | G | 71.3 | Confident | 79.5 | Confident | 8 Ų | 8 | 32.8 Ų | 32.8 | 8% | 0.082 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -72.9 | 175.6 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | V707 V708 M712 S713 E714 | V707-G710 WeakPolarHBondContact O-CA 3.46Å; V707-G710 PolarHBondContact O-N 3.19Å; V708-G710 PolarHBondContact O-N 3.41Å; G710-M712 PolarHBondContact O-N 2.93Å; G710-S713 PolarHBondContact N-OG 2.92Å; G710-S713 PolarHBondContact O-N 2.82Å; G710-S713 VanDerWaalsContact O-N 3.07Å; G710-S713 PolarHBondContact O-OG 3.37Å; G710-E714 PolarHBondContact O-N 2.88Å |
| 711 | K | 70.2 | Confident | 79.9 | Confident | 85 Ų | 85 | 30.1 Ų | 30.1 | 37% | 0.37 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -26.2 | -175.1 | -63.2 | 173.2 | 179.9 | 173.4 | 0 | 112.6 | E678 R680 A682 I685 | E678-K711 PolarHBondContact OE1-N 2.86Å; R680-K711 PolarHBondContact O-NZ 2.77Å; A682-K711 HydrophobicContact CB-CD 4.01Å; A682-K711 VanDerWaalsContact N-NZ 3.14Å; I685-K711 HydrophobicContact CD1-CB 3.42Å; I685-K711 VanDerWaalsContact CD1-CB 3.42Å; I685-K711 HydrophobicContact CD1-CD 3.67Å; I685-K711 HydrophobicContact CD1-CG 4.18Å |
| 712 | M | 66.8 | Low | 79.9 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | -24.6 | 177.8 | -56.6 | -73.4 | -70 | 0 | 0 | 113.1 | E678 I685 L688 L689 L704 A706 G710 E714 I716 F718 | E678-M712 HydrophobicContact CB-CG 3.99Å; E678-M712 HydrophobicContact CG-CB 4.42Å; E678-M712 HydrophobicContact CG-CG 3.42Å; E678-M712 VanDerWaalsContact CG-CG 3.42Å; E678-M712 PolarHBondContact OE1-N 2.89Å; I685-M712 HydrophobicContact CB-SD 4.37Å; I685-M712 HydrophobicContact CD1-SD 4.42Å; I685-M712 HydrophobicContact CG1-SD 4.2Å; I685-M712 HydrophobicContact CG2-SD 3.46Å; I685-M712 WeakPolarHBondContact CG2-SD 3.3Å; L688-M712 HydrophobicContact CD2-CE 3.97Å; L689-M712 HydrophobicContact CD2-CE 3.51Å; L689-M712 HydrophobicContact CG-CE 4.04Å; L704-M712 HydrophobicContact CD2-CE 3.72Å; A706-M712 HydrophobicContact CB-CB 4.16Å; G710-M712 PolarHBondContact O-N 2.93Å; M712-E714 VanDerWaalsContact C-N 3.29Å; M712-I716 HydrophobicContact CB-CD1 4.07Å; M712-I716 HydrophobicContact CE-CD1 3.72Å; M712-I716 HydrophobicContact CG-CD1 4.13Å; M712-I716 HydrophobicContact SD-CD1 3.15Å; M712-I716 WeakPolarHBondContact SD-CD1 3.09Å; M712-F718 HydrophobicContact CE-CZ 4.27Å |
| 713 | S | 60.2 | Low | 79.7 | Confident | 2 Ų | 2 | 32.5 Ų | 32.5 | 1% | 0.014 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | -24.4 | 178.2 | 72.1 | 0 | 0 | 0 | 0 | 112.5 | G709 G710 | G709-S713 WeakPolarHBondContact CA-OG 3.12Å; G709-S713 PolarHBondContact N-OG 3.46Å; G710-S713 PolarHBondContact N-OG 2.92Å; G710-S713 PolarHBondContact O-N 2.82Å; G710-S713 VanDerWaalsContact O-N 3.07Å; G710-S713 PolarHBondContact O-OG 3.37Å |
| 714 | E | 64.8 | Low | 79.6 | Confident | 68 Ų | 68 | 33.1 Ų | 33.1 | 32% | 0.318 | 20% | 0.203 | S | C | . | . | S | Bend | trans | -110.8 | 123.7 | 178.2 | -161.8 | -179.8 | 175.9 | 0 | 0 | 111.1 | R220 G710 M712 I716 | R220-E714 WeakPolarHBondContact CD-OE1 3.24Å; R220-E714 IonicContact CZ-OE1 3.36Å; R220-E714 IonicContact CZ-OE2 3.45Å; R220-E714 IonicContact NE-OE1 3.45Å; R220-E714 IonicContact NH1-OE1 3.7Å; R220-E714 PolarHBondContact NH1-OE1 2.79Å; R220-E714 IonicContact NH1-OE2 3.38Å; R220-E714 PolarHBondContact NH1-OE2 2.95Å; R220-E714 VanDerWaalsContact NH1-OE2 3.1Å; G710-E714 PolarHBondContact O-N 2.88Å; M712-E714 VanDerWaalsContact C-N 3.29Å; E714-I716 PolarHBondContact O-N 3.46Å |
| 715 | G | 60.7 | Low | 79.6 | Confident | 59 Ų | 59 | 33.1 Ų | 33.1 | 61% | 0.608 | 20% | 0.203 | S | C | * | . | S | Bend | trans | 87.6 | -6.9 | 166.3 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||
| 716 | I | 68.9 | Low | 79.6 | Confident | 23 Ų | 23 | 33.2 Ų | 33.2 | 12% | 0.118 | 20% | 0.204 | C | C | . | . | trans | -96.6 | 137.7 | 178.5 | -57.7 | 179.1 | 0 | 0 | 0 | 111.3 | I685 L689 M712 E714 F718 R776 | I685-I716 HydrophobicContact CG2-CD1 3.82Å; L689-I716 HydrophobicContact CD1-CD1 4.05Å; L689-I716 HydrophobicContact CD1-CG2 3.86Å; L689-I716 HydrophobicContact CD2-CG2 3.99Å; M712-I716 HydrophobicContact CB-CD1 4.07Å; M712-I716 HydrophobicContact CE-CD1 3.72Å; M712-I716 HydrophobicContact CG-CD1 4.13Å; M712-I716 HydrophobicContact SD-CD1 3.15Å; M712-I716 WeakPolarHBondContact SD-CD1 3.09Å; E714-I716 PolarHBondContact O-N 3.46Å; I716-F718 HydrophobicContact CG2-CE1 4.27Å; I716-F718 HydrophobicContact CG2-CE2 4.28Å; I716-F718 HydrophobicContact CG2-CZ 4.04Å; I716-R776 PolarHBondContact O-NH2 2.82Å; I716-R776 VanDerWaalsContact O-NH2 3.11Å | ||
| 717 | N | 68.7 | Low | 79.8 | Confident | 100 Ų | 100 | 33.2 Ų | 33.2 | 54% | 0.535 | 20% | 0.204 | S | C | . | . | trans | -102.3 | 107.6 | 179 | -69.9 | -22.9 | 0 | 0 | 0 | 110.9 | R776 | N717-R776 VanDerWaalsContact OD1-CZ 3.27Å; N717-R776 PolarHBondContact OD1-NH1 2.83Å; N717-R776 PolarHBondContact OD1-NH2 2.77Å | ||
| 718 | F | 77.8 | Confident | 80 | Confident | 4 Ų | 4 | 32.9 Ų | 32.9 | 2% | 0.018 | 20% | 0.202 | C | C | . | . | trans | -91.5 | 98.2 | 165.4 | -53.7 | -78.2 | 0 | 0 | 0 | 108.5 | V644 L689 Y692 L704 M712 I716 L722 C723 | V644-F718 HydrophobicContact CG2-CD1 4.33Å; V644-F718 HydrophobicContact CG2-CE1 4.32Å; V644-F718 HydrophobicContact CG2-CG 4.44Å; V644-F718 HydrophobicContact CG2-CZ 4.41Å; L689-F718 HydrophobicContact CD2-CE1 4.17Å; Y692-F718 HydrophobicContact CE1-CD1 4.23Å; Y692-F718 HydrophobicContact CE1-CE1 4.26Å; L704-F718 HydrophobicContact CD2-CE1 3.62Å; L704-F718 HydrophobicContact CD2-CZ 3.64Å; M712-F718 HydrophobicContact CE-CZ 4.27Å; I716-F718 HydrophobicContact CG2-CE1 4.27Å; I716-F718 HydrophobicContact CG2-CE2 4.28Å; I716-F718 HydrophobicContact CG2-CZ 4.04Å; F718-L722 HydrophobicContact CB-CB 4.07Å; F718-L722 HydrophobicContact CD1-CB 4.32Å; F718-C723 HydrophobicContact CB-CB 3.4Å; F718-C723 HydrophobicContact CG-CB 4.09Å | ||
| 719 | S | 76.8 | Confident | 80.4 | Confident | 46 Ų | 46 | 32.2 Ų | 32.2 | 32% | 0.322 | 20% | 0.198 | S | C | . | . | trans | -94.4 | 146.9 | 173.7 | 53.6 | 0 | 0 | 0 | 0 | 111 | N721 L722 | S719-N721 PolarHBondContact O-N 2.97Å; S719-L722 VanDerWaalsContact O-CB 3.22Å; S719-L722 WeakPolarHBondContact O-CB 3.43Å; S719-L722 WeakPolarHBondContact O-CG 3.44Å; S719-L722 PolarHBondContact O-N 2.85Å | ||
| 720 | D | 85 | Confident | 81.2 | Confident | 64 Ų | 64 | 29.6 Ų | 29.6 | 34% | 0.342 | 17% | 0.17 | S | C | . | . | G | 310 helix | trans | 54.4 | -124.8 | 169.7 | -59.5 | -62.7 | 0 | 0 | 0 | 113.3 | L722 C723 R724 H777 | D720-L722 PolarHBondContact O-N 2.65Å; D720-L722 VanDerWaalsContact O-N 3.13Å; D720-C723 CarbonylContact O-C 3.58Å; D720-C723 PolarHBondContact O-N 3.13Å; D720-R724 PolarHBondContact O-NE 3.21Å; D720-R724 IonicContact OD1-NH2 3.89Å; D720-H777 IonicContact OD1-CE1 2.69Å; D720-H777 PolarHBondContact OD1-CE1 2.64Å; D720-H777 IonicContact OD1-NE2 3.52Å; D720-H777 PolarHBondContact OD1-NE2 3.02Å; D720-H777 VanDerWaalsContact OD1-NE2 3.1Å; D720-H777 IonicContact OD2-NE2 2.98Å |
| 721 | N | 89.1 | Confident | 82.3 | Confident | 89 Ų | 89 | 29.6 Ų | 29.6 | 48% | 0.476 | 17% | 0.168 | S | C | . | . | G | 310 helix | trans | -68 | -12.8 | -176.2 | -67.2 | -16.1 | 0 | 0 | 0 | 112.9 | G642 I696 S719 C723 R724 | G642-N721 WeakPolarHBondContact CA-O 3.37Å; G642-N721 PolarHBondContact N-O 2.93Å; I696-N721 HydrophobicContact CG2-CB 3.86Å; I696-N721 WeakPolarHBondContact CG2-O 3.49Å; S719-N721 PolarHBondContact O-N 2.97Å; N721-C723 PolarHBondContact O-N 3.3Å; N721-R724 PolarHBondContact OD1-NE 2.84Å; N721-R724 VanDerWaalsContact OD1-NE 3.12Å; N721-R724 PolarHBondContact OD1-NH2 2.76Å; N721-R724 VanDerWaalsContact OD1-NH2 3.11Å |
| 722 | L | 89 | Confident | 83.4 | Confident | 50 Ų | 50 | 26.5 Ų | 26.5 | 26% | 0.262 | 16% | 0.157 | S | C | . | . | G | 310 helix | trans | -64.1 | -27 | 173.8 | -62.8 | 176 | 0 | 0 | 0 | 112.1 | Y692 I696 F718 S719 D720 | Y692-L722 HydrophobicContact CD1-CD2 4.41Å; Y692-L722 HydrophobicContact CE1-CB 4.5Å; Y692-L722 HydrophobicContact CE1-CD2 4.4Å; Y692-L722 WeakPolarHBondContact CE1-O 3.42Å; Y692-L722 PolarHBondContact OH-O 3.43Å; I696-L722 HydrophobicContact CD1-CD2 4.12Å; F718-L722 HydrophobicContact CB-CB 4.07Å; F718-L722 HydrophobicContact CD1-CB 4.32Å; S719-L722 VanDerWaalsContact O-CB 3.22Å; S719-L722 WeakPolarHBondContact O-CB 3.43Å; S719-L722 WeakPolarHBondContact O-CG 3.44Å; S719-L722 PolarHBondContact O-N 2.85Å; D720-L722 PolarHBondContact O-N 2.65Å; D720-L722 VanDerWaalsContact O-N 3.13Å |
| 723 | C | 91.3 | Very high | 84.5 | Confident | 1 Ų | 1 | 28.6 Ų | 28.6 | 1% | 0.007 | 17% | 0.165 | C | C | . | . | trans | -152.8 | 104.5 | 174.4 | -175.4 | 0 | 0 | 0 | 0 | 111.5 | V644 F718 D720 N721 V726 | V644-C723 HydrophobicContact CG2-CB 4.08Å; F718-C723 HydrophobicContact CB-CB 3.4Å; F718-C723 HydrophobicContact CG-CB 4.09Å; D720-C723 CarbonylContact O-C 3.58Å; D720-C723 PolarHBondContact O-N 3.13Å; N721-C723 PolarHBondContact O-N 3.3Å; C723-V726 WeakPolarHBondContact SG-CG2 3.48Å | ||
| 724 | R | 93.3 | Very high | 85.9 | Confident | 13 Ų | 13 | 30.6 Ų | 30.6 | 5% | 0.049 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -102.9 | -18.8 | 172.1 | -65.2 | -59.1 | -178.8 | -162.5 | -8.5 | 113.3 | V639 P640 G642 D720 N721 D780 F781 A782 S783 Y825 | V639-R724 HydrophobicContact CG1-CB 4.02Å; P640-R724 WeakPolarHBondContact O-CB 3.4Å; P640-R724 VanDerWaalsContact O-CG 3.23Å; P640-R724 WeakPolarHBondContact O-CG 3.42Å; G642-R724 PolarHBondContact O-N 3.06Å; D720-R724 PolarHBondContact O-NE 3.21Å; D720-R724 IonicContact OD1-NH2 3.89Å; N721-R724 PolarHBondContact OD1-NE 2.84Å; N721-R724 VanDerWaalsContact OD1-NE 3.12Å; N721-R724 PolarHBondContact OD1-NH2 2.76Å; N721-R724 VanDerWaalsContact OD1-NH2 3.11Å; R724-D780 IonicContact CZ-OD1 3.3Å; R724-D780 IonicContact NH1-OD1 2.72Å; R724-D780 PolarHBondContact NH1-OD1 3.01Å; R724-F781 PolarHBondContact NH1-O 2.91Å; R724-A782 WeakPolarHBondContact O-CA 3.36Å; R724-S783 PolarHBondContact O-N 3.29Å; R724-Y825 HydrophobicContact CB-CE1 4.2Å; R724-Y825 PolarHBondContact O-OH 3.44Å |
| 725 | C | 95 | Very high | 86.9 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 127.6 | 173.6 | -174.6 | 0 | 0 | 0 | 0 | 109.8 | V639 G642 I643 V644 S783 | V639-C725 HydrophobicContact CB-CB 4.29Å; V639-C725 HydrophobicContact CG1-CB 3.57Å; V639-C725 HydrophobicContact CG2-CB 3.77Å; G642-C725 PolarHBondContact O-N 3.11Å; I643-C725 WeakPolarHBondContact CA-O 3.25Å; I643-C725 HydrophobicContact CG1-CB 4.4Å; I643-C725 HydrophobicContact CG2-CB 4.35Å; V644-C725 PolarHBondContact N-O 2.92Å; C725-S783 WeakPolarHBondContact CA-O 3.49Å; C725-S783 WeakPolarHBondContact CB-OG 3.4Å; C725-S783 PolarHBondContact SG-OG 3.45Å |
| 726 | V | 94.8 | Very high | 88.1 | Confident | 2 Ų | 2 | 35 Ų | 35 | 1% | 0.012 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 126.4 | 165.7 | 176.4 | 0 | 0 | 0 | 0 | 108.3 | V644 F646 C723 I728 A774 S783 L784 V785 | V644-V726 CarbonylContact O-C 3.47Å; V644-V726 WeakPolarHBondContact O-CA 3.38Å; F646-V726 HydrophobicContact CD2-CG1 3.6Å; F646-V726 HydrophobicContact CE2-CG1 3.68Å; C723-V726 WeakPolarHBondContact SG-CG2 3.48Å; V726-I728 HydrophobicContact CG1-CG1 4.14Å; V726-A774 HydrophobicContact CG2-CB 3.65Å; V726-S783 PolarHBondContact N-O 3.4Å; V726-L784 HydrophobicContact CB-CD2 3.86Å; V726-L784 HydrophobicContact CG2-CD2 4.21Å; V726-L784 CarbonylContact O-C 3.57Å; V726-V785 PolarHBondContact O-N 3.42Å |
| 727 | V | 96.4 | Very high | 88.8 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 119.2 | 175.8 | -172.1 | 0 | 0 | 0 | 0 | 108.7 | L635 I643 V644 C645 F646 I729 V785 L787 | L635-V727 HydrophobicContact CD1-CG2 3.89Å; I643-V727 HydrophobicContact CG2-CG2 3.89Å; V644-V727 PolarHBondContact O-N 3.18Å; C645-V727 CarbonylContact C-O 3.6Å; C645-V727 WeakPolarHBondContact CA-O 3.16Å; C645-V727 HydrophobicContact CB-CB 4.48Å; F646-V727 PolarHBondContact N-O 3.26Å; V727-I729 HydrophobicContact CG1-CG1 3.95Å; V727-V785 CarbonylContact C-O 3.59Å; V727-V785 WeakPolarHBondContact CA-O 3.37Å; V727-V785 HydrophobicContact CB-CB 4.47Å; V727-V785 HydrophobicContact CG1-CB 4.26Å; V727-V785 HydrophobicContact CG1-CG1 4.18Å; V727-V785 HydrophobicContact CG2-CB 4.21Å; V727-L787 HydrophobicContact CG1-CB 4.49Å |
| 728 | I | 95.8 | Very high | 89.7 | Confident | 3 Ų | 3 | 39 Ų | 39 | 2% | 0.015 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 108.6 | 176.1 | -52.8 | -174.6 | 0 | 0 | 0 | 108 | V726 G730 I767 V771 V785 F786 L787 | V726-I728 HydrophobicContact CG1-CG1 4.14Å; I728-G730 PolarHBondContact O-N 3.47Å; I728-I767 HydrophobicContact CD1-CG2 3.71Å; I728-I767 HydrophobicContact CG2-CG1 4.4Å; I728-V771 HydrophobicContact CD1-CG2 3.5Å; I728-V771 VanDerWaalsContact CD1-CG2 3.5Å; I728-V785 PolarHBondContact N-O 2.83Å; I728-F786 HydrophobicContact CB-CD1 4.5Å; I728-F786 HydrophobicContact CD1-CD1 3.95Å; I728-F786 HydrophobicContact CD1-CE1 3.69Å; I728-L787 WeakPolarHBondContact O-CB 3.28Å; I728-L787 PolarHBondContact O-N 3.15Å |
| 729 | I | 96.1 | Very high | 90.1 | Very high | 3 Ų | 3 | 40.7 Ų | 40.7 | 2% | 0.015 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 103.6 | -174.2 | -57.7 | 169.2 | 0 | 0 | 0 | 108.6 | F614 L628 C645 F646 F647 Y652 V727 L787 | F614-I729 HydrophobicContact CD1-CG2 4.08Å; F614-I729 HydrophobicContact CE1-CG2 3.84Å; F614-I729 HydrophobicContact CZ-CG2 4.09Å; L628-I729 HydrophobicContact CD1-CD1 4.09Å; L628-I729 HydrophobicContact CD1-CG1 4.31Å; L628-I729 HydrophobicContact CD1-CG2 4.13Å; L628-I729 HydrophobicContact CD2-CG2 4.03Å; C645-I729 HydrophobicContact CB-CD1 4.01Å; F646-I729 PolarHBondContact O-N 3.47Å; F647-I729 HydrophobicContact CD1-CB 4.36Å; F647-I729 HydrophobicContact CD1-CD1 3.96Å; F647-I729 HydrophobicContact CD1-CG2 4.44Å; F647-I729 HydrophobicContact CD2-CD1 4.43Å; F647-I729 HydrophobicContact CE1-CB 4.5Å; F647-I729 HydrophobicContact CE1-CD1 3.36Å; F647-I729 HydrophobicContact CE1-CG2 4.44Å; F647-I729 HydrophobicContact CE2-CD1 3.9Å; F647-I729 HydrophobicContact CG-CD1 4.46Å; F647-I729 HydrophobicContact CZ-CD1 3.34Å; Y652-I729 HydrophobicContact CE1-CG2 4.05Å; V727-I729 HydrophobicContact CG1-CG1 3.95Å; I729-L787 HydrophobicContact CG1-CD2 4.29Å |
| 730 | G | 94.5 | Very high | 90.7 | Very high | 1 Ų | 1 | 41.5 Ų | 41.5 | 1% | 0.01 | 21% | 0.206 | C | C | . | . | S | Bend | trans | 78.9 | -163.1 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | I728 L787 Y791 | I728-G730 PolarHBondContact O-N 3.47Å; G730-L787 PolarHBondContact N-O 3.06Å; G730-Y791 PolarHBondContact O-OH 3.4Å |
| 731 | M | 93.8 | Very high | 91 | Very high | 9 Ų | 9 | 39 Ų | 39 | 4% | 0.044 | 19% | 0.193 | C | C | . | . | trans | -119.6 | 120.7 | 175.6 | -62.9 | -176.1 | 76.9 | 0 | 0 | 108.7 | Y733 F764 D788 R790 Y791 Y796 | M731-Y733 HydrophobicContact CB-CD2 3.6Å; M731-Y733 HydrophobicContact CB-CE2 3.61Å; M731-Y733 HydrophobicContact CE-CE2 3.59Å; M731-Y733 WeakPolarHBondContact CE-OH 3.49Å; M731-Y733 HydrophobicContact CG-CE2 4.26Å; M731-Y733 PolarHBondContact O-N 3.3Å; M731-Y733 HydrophobicContact SD-CE2 3.68Å; M731-F764 HydrophobicContact CE-CE1 4.4Å; M731-F764 HydrophobicContact CE-CE2 3.55Å; M731-F764 HydrophobicContact CE-CZ 3.39Å; M731-D788 HydrophobicContact CG-CB 4.42Å; M731-R790 HydrophobicContact SD-CB 3.67Å; M731-Y791 HydrophobicContact CE-CE1 4.25Å; M731-Y791 HydrophobicContact CG-CD2 4.5Å; M731-Y791 HydrophobicContact CG-CE1 4.2Å; M731-Y791 HydrophobicContact CG-CE2 3.82Å; M731-Y796 HydrophobicContact CE-CD2 4.4Å; M731-Y796 HydrophobicContact CE-CE2 4.33Å | ||
| 732 | P | 91.9 | Very high | 91.1 | Very high | 19 Ų | 19 | 38 Ų | 38 | 12% | 0.123 | 19% | 0.185 | C | C | . | . | trans | -77 | 53.9 | -176.1 | 35.3 | -39.2 | 0 | 0 | 0 | 112.1 | V708 C763 A766 I767 | V708-P732 HydrophobicContact CB-CB 4.02Å; V708-P732 HydrophobicContact CB-CG 4.26Å; V708-P732 HydrophobicContact CG1-CB 4.05Å; V708-P732 HydrophobicContact CG1-CG 3.88Å; V708-P732 HydrophobicContact CG2-CB 4.25Å; V708-P732 HydrophobicContact CG2-CG 4.25Å; P732-C763 VanDerWaalsContact CD-SG 3.53Å; P732-A766 HydrophobicContact CG-CB 4.39Å; P732-I767 HydrophobicContact CG-CD1 4.38Å; P732-I767 HydrophobicContact CG-CG1 3.9Å | ||
| 733 | Y | 91.8 | Very high | 91.2 | Very high | 45 Ų | 45 | 37.1 Ų | 37.1 | 18% | 0.176 | 18% | 0.18 | C | C | . | . | trans | -62.6 | 133.7 | 175.2 | -82.1 | -77 | 0 | 0 | 0 | 110.7 | M731 Y759 E760 C763 | M731-Y733 HydrophobicContact CB-CD2 3.6Å; M731-Y733 HydrophobicContact CB-CE2 3.61Å; M731-Y733 HydrophobicContact CE-CE2 3.59Å; M731-Y733 WeakPolarHBondContact CE-OH 3.49Å; M731-Y733 HydrophobicContact CG-CE2 4.26Å; M731-Y733 PolarHBondContact O-N 3.3Å; M731-Y733 HydrophobicContact SD-CE2 3.68Å; Y733-Y759 WeakPolarHBondContact CB-OH 3.49Å; Y733-Y759 AromaticContact CD1-CD1 3.83Å; Y733-Y759 HydrophobicContact CD1-CD1 3.83Å; Y733-Y759 HydrophobicContact CD1-CD2 4.47Å; Y733-Y759 AromaticContact CD1-CE1 3.35Å; Y733-Y759 HydrophobicContact CD1-CE1 3.35Å; Y733-Y759 HydrophobicContact CD1-CE2 4.08Å; Y733-Y759 HydrophobicContact CD1-CG 4.39Å; Y733-Y759 AromaticContact CD1-CZ 3.51Å; Y733-Y759 AromaticContact CE1-CD1 3.95Å; Y733-Y759 HydrophobicContact CE1-CD1 3.95Å; Y733-Y759 AromaticContact CE1-CE1 3.79Å; Y733-Y759 HydrophobicContact CE1-CE1 3.79Å; Y733-Y759 HydrophobicContact CG-CE1 4.14Å; Y733-E760 HydrophobicContact CE1-CG 4.14Å; Y733-C763 HydrophobicContact CD1-CB 3.73Å; Y733-C763 HydrophobicContact CE1-CB 3.83Å; Y733-C763 HydrophobicContact CG-CB 4.11Å | ||
| 734 | P | 88.2 | Confident | 91.2 | Very high | 44 Ų | 44 | 38.6 Ų | 38.6 | 29% | 0.286 | 19% | 0.186 | S | C | . | . | trans | -65.2 | 162.7 | 172.6 | 24.4 | -28 | 0 | 0 | 0 | 110.5 | R736 L741 Y759 L762 | P734-R736 PolarHBondContact O-N 2.73Å; P734-L741 HydrophobicContact CB-CD2 4.11Å; P734-L741 HydrophobicContact CG-CD2 3.92Å; P734-Y759 HydrophobicContact CG-CD2 3.91Å; P734-Y759 HydrophobicContact CG-CE2 3.7Å; P734-Y759 VanDerWaalsContact O-CE2 3.24Å; P734-Y759 WeakPolarHBondContact O-CE2 3.34Å; P734-Y759 PolarHBondContact O-OH 3.32Å; P734-L762 HydrophobicContact CG-CB 4.13Å; P734-L762 HydrophobicContact CG-CD1 3.92Å | ||
| 735 | N | 86.3 | Confident | 91.2 | Very high | 100 Ų | 100 | 38.6 Ų | 38.6 | 54% | 0.535 | 19% | 0.187 | S | C | . | . | trans | -64.9 | 109.8 | 179 | -178.9 | 5.8 | 0 | 0 | 0 | 110.6 | F737 S738 L741 | N735-F737 PolarHBondContact O-N 3.39Å; N735-F737 VanDerWaalsContact O-N 3.15Å; N735-F737 WeakPolarHBondContact OD1-CB 3.37Å; N735-F737 WeakPolarHBondContact OD1-CD2 3.38Å; N735-F737 PolarHBondContact OD1-N 3.06Å; N735-S738 WeakPolarHBondContact O-CB 3.32Å; N735-S738 PolarHBondContact O-N 3.2Å; N735-L741 WeakPolarHBondContact O-CD2 3.31Å | ||
| 736 | R | 86 | Confident | 91.1 | Very high | 118 Ų | 118 | 42.5 Ų | 42.5 | 45% | 0.445 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -21.1 | 178 | -165.8 | 175.7 | -175.7 | 144 | 12.1 | 113.6 | P734 S738 Q742 Y759 | P734-R736 PolarHBondContact O-N 2.73Å; R736-S738 VanDerWaalsContact C-N 3.33Å; R736-Q742 WeakPolarHBondContact O-CG 3.11Å; R736-Q742 PolarHBondContact O-NE2 3.29Å; R736-Q742 VanDerWaalsContact O-NE2 3.08Å; R736-Y759 HydrophobicContact CB-CE2 4.32Å |
| 737 | F | 83.9 | Confident | 90.9 | Very high | 164 Ų | 164 | 44 Ų | 44 | 72% | 0.719 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.3 | -2.9 | 176.5 | -53.1 | -69.8 | 0 | 0 | 0 | 113.1 | N735 L739 | N735-F737 PolarHBondContact O-N 3.39Å; N735-F737 VanDerWaalsContact O-N 3.15Å; N735-F737 WeakPolarHBondContact OD1-CB 3.37Å; N735-F737 WeakPolarHBondContact OD1-CD2 3.38Å; N735-F737 PolarHBondContact OD1-N 3.06Å; F737-L739 PolarHBondContact O-N 3.09Å |
| 738 | S | 86.8 | Confident | 90.6 | Very high | 45 Ų | 45 | 44.2 Ų | 44.2 | 32% | 0.315 | 22% | 0.215 | S | C | . | . | trans | -64.4 | 119.8 | 171.2 | 179.7 | 0 | 0 | 0 | 0 | 109.2 | N735 R736 E740 L741 Q742 | N735-S738 WeakPolarHBondContact O-CB 3.32Å; N735-S738 PolarHBondContact O-N 3.2Å; R736-S738 VanDerWaalsContact C-N 3.33Å; S738-E740 PolarHBondContact O-N 2.87Å; S738-L741 PolarHBondContact O-N 2.93Å; S738-L741 VanDerWaalsContact O-N 3.08Å; S738-Q742 WeakPolarHBondContact O-CG 3.39Å; S738-Q742 PolarHBondContact O-N 3.4Å | ||
| 739 | L | 86.8 | Confident | 90.4 | Very high | 38 Ų | 38 | 46.8 Ų | 46.8 | 20% | 0.199 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -59.5 | -34.4 | 178.6 | -86.3 | 154.7 | 0 | 0 | 0 | 112 | V448 F737 L741 Q742 E743 | V448-L739 HydrophobicContact CB-CD1 3.57Å; V448-L739 HydrophobicContact CG1-CD1 4.08Å; V448-L739 VanDerWaalsContact O-CD1 3.29Å; V448-L739 WeakPolarHBondContact O-CD1 3.35Å; F737-L739 PolarHBondContact O-N 3.09Å; L739-L741 VanDerWaalsContact C-N 3.31Å; L739-L741 PolarHBondContact O-N 3.46Å; L739-Q742 PolarHBondContact O-N 3.06Å; L739-E743 WeakPolarHBondContact O-CB 3.45Å; L739-E743 WeakPolarHBondContact O-CG 3.38Å; L739-E743 PolarHBondContact O-N 2.87Å |
| 740 | E | 88.9 | Confident | 90.2 | Very high | 63 Ų | 63 | 50.9 Ų | 50.9 | 29% | 0.294 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -58.8 | -44.8 | 174.7 | -67.8 | 178.9 | -156.6 | 0 | 0 | 112 | L522 K536 I538 S738 K744 | L522-E740 HydrophobicContact CD1-CG 3.38Å; K536-E740 WeakPolarHBondContact CE-OE1 3.31Å; K536-E740 IonicContact NZ-OE1 2.78Å; K536-E740 PolarHBondContact NZ-OE1 2.96Å; K536-E740 IonicContact NZ-OE2 3.8Å; K536-E740 PolarHBondContact NZ-OE2 3.44Å; I538-E740 HydrophobicContact CG2-CG 4.08Å; S738-E740 PolarHBondContact O-N 2.87Å; E740-K744 WeakPolarHBondContact O-CG 3.38Å; E740-K744 PolarHBondContact O-N 2.81Å; E740-K744 VanDerWaalsContact O-N 3.15Å |
| 741 | L | 91.3 | Very high | 89.7 | Confident | 13 Ų | 13 | 54.4 Ų | 54.4 | 7% | 0.068 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -70.9 | -42.7 | 178.9 | 177.2 | 62.7 | 0 | 0 | 0 | 111 | P734 N735 S738 L739 E743 K744 M745 Y758 Y759 L762 | P734-L741 HydrophobicContact CB-CD2 4.11Å; P734-L741 HydrophobicContact CG-CD2 3.92Å; N735-L741 WeakPolarHBondContact O-CD2 3.31Å; S738-L741 PolarHBondContact O-N 2.93Å; S738-L741 VanDerWaalsContact O-N 3.08Å; L739-L741 VanDerWaalsContact C-N 3.31Å; L739-L741 PolarHBondContact O-N 3.46Å; L741-E743 VanDerWaalsContact C-N 3.31Å; L741-E743 PolarHBondContact O-N 3.45Å; L741-K744 PolarHBondContact O-N 2.91Å; L741-M745 HydrophobicContact CD1-CG 4.16Å; L741-M745 HydrophobicContact CD1-SD 4.27Å; L741-M745 HydrophobicContact CD2-SD 4.48Å; L741-M745 HydrophobicContact CG-CG 4.32Å; L741-M745 HydrophobicContact CG-SD 3.95Å; L741-M745 WeakPolarHBondContact O-CB 3.35Å; L741-M745 VanDerWaalsContact O-CG 3.24Å; L741-M745 WeakPolarHBondContact O-CG 3.24Å; L741-M745 PolarHBondContact O-N 2.91Å; L741-Y758 HydrophobicContact CD1-CD1 4.24Å; L741-Y758 HydrophobicContact CD1-CE1 3.77Å; L741-Y759 HydrophobicContact CD1-CD2 4.49Å; L741-Y759 HydrophobicContact CD2-CD2 3.66Å; L741-Y759 HydrophobicContact CD2-CE2 3.69Å; L741-Y759 HydrophobicContact CG-CD2 4.49Å; L741-L762 HydrophobicContact CD1-CD1 3.75Å |
| 742 | Q | 91.9 | Very high | 89.3 | Confident | 66 Ų | 66 | 58 Ų | 58 | 31% | 0.308 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -58.6 | -43.7 | 176.9 | -71.5 | -178.3 | -9.8 | 0 | 0 | 111.5 | R736 S738 L739 M745 N746 | R736-Q742 WeakPolarHBondContact O-CG 3.11Å; R736-Q742 PolarHBondContact O-NE2 3.29Å; R736-Q742 VanDerWaalsContact O-NE2 3.08Å; S738-Q742 WeakPolarHBondContact O-CG 3.39Å; S738-Q742 PolarHBondContact O-N 3.4Å; L739-Q742 PolarHBondContact O-N 3.06Å; Q742-M745 PolarHBondContact O-N 3.45Å; Q742-N746 VanDerWaalsContact O-CB 3.3Å; Q742-N746 WeakPolarHBondContact O-CB 3.34Å; Q742-N746 PolarHBondContact O-N 2.89Å; Q742-N746 PolarHBondContact O-ND2 3.21Å; Q742-N746 PolarHBondContact O-OD1 2.96Å |
| 743 | E | 90.9 | Very high | 89.1 | Confident | 32 Ų | 32 | 63.4 Ų | 63.4 | 15% | 0.15 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -65.8 | -39.9 | 177.9 | -72.1 | -59.3 | 108.3 | 0 | 0 | 112.5 | C450 R520 I538 L540 L739 L741 N746 Y747 | C450-E743 HydrophobicContact CB-CG 4.39Å; C450-E743 VanDerWaalsContact SG-CG 3.58Å; C450-E743 PolarHBondContact SG-OE2 2.99Å; R520-E743 IonicContact NE-OE2 2.65Å; R520-E743 PolarHBondContact NE-OE2 3.04Å; I538-E743 HydrophobicContact CD1-CB 4.03Å; L540-E743 HydrophobicContact CD2-CB 4.42Å; L739-E743 WeakPolarHBondContact O-CB 3.45Å; L739-E743 WeakPolarHBondContact O-CG 3.38Å; L739-E743 PolarHBondContact O-N 2.87Å; L741-E743 VanDerWaalsContact C-N 3.31Å; L741-E743 PolarHBondContact O-N 3.45Å; E743-N746 PolarHBondContact O-N 3.35Å; E743-N746 PolarHBondContact OE1-ND2 3.15Å; E743-Y747 WeakPolarHBondContact O-CB 3.19Å; E743-Y747 PolarHBondContact O-N 3.22Å |
| 744 | K | 91.7 | Very high | 88.9 | Confident | 33 Ų | 33 | 61.4 Ų | 61.4 | 14% | 0.143 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -61.6 | -45.4 | 172.2 | -73.3 | 175.2 | 172.4 | -172 | 0 | 111.7 | E383 L540 E740 L741 Y747 L748 Y758 | E383-K744 IonicContact OE1-NZ 3.1Å; E383-K744 IonicContact OE2-NZ 3.66Å; E383-K744 PolarHBondContact OE2-NZ 3.35Å; L540-K744 HydrophobicContact CD2-CB 4.44Å; L540-K744 HydrophobicContact CD2-CG 3.78Å; E740-K744 WeakPolarHBondContact O-CG 3.38Å; E740-K744 PolarHBondContact O-N 2.81Å; E740-K744 VanDerWaalsContact O-N 3.15Å; L741-K744 PolarHBondContact O-N 2.91Å; K744-Y747 PolarHBondContact O-N 3.41Å; K744-L748 WeakPolarHBondContact O-CG 3.17Å; K744-L748 PolarHBondContact O-N 3.49Å; K744-Y758 HydrophobicContact CB-CE1 3.9Å; K744-Y758 HydrophobicContact CD-CE1 4.29Å |
| 745 | M | 92.5 | Very high | 89 | Confident | 12 Ų | 12 | 59.3 Ų | 59.3 | 6% | 0.059 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -63.4 | -42.8 | 176.4 | -68.8 | 175.5 | 72.5 | 0 | 0 | 111.6 | L741 Q742 L748 N749 G755 Y758 Y759 | L741-M745 HydrophobicContact CD1-CG 4.16Å; L741-M745 HydrophobicContact CD1-SD 4.27Å; L741-M745 HydrophobicContact CD2-SD 4.48Å; L741-M745 HydrophobicContact CG-CG 4.32Å; L741-M745 HydrophobicContact CG-SD 3.95Å; L741-M745 WeakPolarHBondContact O-CB 3.35Å; L741-M745 VanDerWaalsContact O-CG 3.24Å; L741-M745 WeakPolarHBondContact O-CG 3.24Å; L741-M745 PolarHBondContact O-N 2.91Å; Q742-M745 PolarHBondContact O-N 3.45Å; M745-L748 PolarHBondContact O-N 3.24Å; M745-N749 VanDerWaalsContact O-CB 3.25Å; M745-N749 WeakPolarHBondContact O-CB 3.44Å; M745-N749 PolarHBondContact O-N 3.36Å; M745-N749 PolarHBondContact O-ND2 2.92Å; M745-G755 WeakPolarHBondContact CE-O 3.44Å; M745-G755 WeakPolarHBondContact CG-O 3.13Å; M745-Y758 HydrophobicContact CG-CD1 4.25Å; M745-Y759 HydrophobicContact CE-CG 4.36Å; M745-Y759 HydrophobicContact SD-CD2 4.46Å; M745-Y759 HydrophobicContact SD-CG 4.4Å |
| 746 | N | 92.6 | Very high | 89.2 | Confident | 83 Ų | 83 | 57.9 Ų | 57.9 | 44% | 0.444 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -62.8 | -42.9 | 177.9 | -70.7 | -19.2 | 0 | 0 | 0 | 111.2 | Q742 E743 N749 S750 | Q742-N746 VanDerWaalsContact O-CB 3.3Å; Q742-N746 WeakPolarHBondContact O-CB 3.34Å; Q742-N746 PolarHBondContact O-N 2.89Å; Q742-N746 PolarHBondContact O-ND2 3.21Å; Q742-N746 PolarHBondContact O-OD1 2.96Å; E743-N746 PolarHBondContact O-N 3.35Å; E743-N746 PolarHBondContact OE1-ND2 3.15Å; N746-N749 PolarHBondContact O-N 3.18Å; N746-S750 PolarHBondContact O-N 2.69Å |
| 747 | Y | 90.8 | Very high | 89.4 | Confident | 33 Ų | 33 | 54.6 Ų | 54.6 | 13% | 0.129 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -60.6 | -51.1 | 175 | 178.3 | -102.5 | 0 | 0 | 0 | 111.6 | L540 N541 E743 K744 N749 S750 L751 | L540-Y747 HydrophobicContact CB-CD1 3.96Å; L540-Y747 HydrophobicContact CB-CD2 4.12Å; L540-Y747 HydrophobicContact CB-CE1 4.27Å; L540-Y747 HydrophobicContact CB-CE2 4.41Å; L540-Y747 HydrophobicContact CB-CG 3.88Å; L540-Y747 HydrophobicContact CD1-CD2 3.95Å; L540-Y747 HydrophobicContact CD1-CG 4.04Å; L540-Y747 HydrophobicContact CG-CG 4.43Å; N541-Y747 HydrophobicContact CB-CE1 4.41Å; N541-Y747 WeakPolarHBondContact CB-OH 3.42Å; E743-Y747 WeakPolarHBondContact O-CB 3.19Å; E743-Y747 PolarHBondContact O-N 3.22Å; K744-Y747 PolarHBondContact O-N 3.41Å; Y747-N749 VanDerWaalsContact C-N 3.28Å; Y747-N749 PolarHBondContact O-N 2.86Å; Y747-S750 WeakPolarHBondContact O-CB 3.49Å; Y747-S750 PolarHBondContact O-N 2.79Å; Y747-S750 VanDerWaalsContact O-N 3.12Å; Y747-S750 PolarHBondContact O-OG 3.12Å; Y747-L751 HydrophobicContact CD1-CD1 4.1Å; Y747-L751 HydrophobicContact CE1-CD1 3.47Å; Y747-L751 VanDerWaalsContact CE1-CD1 3.47Å; Y747-L751 HydrophobicContact CE1-CG 4.49Å; Y747-L751 HydrophobicContact CE2-CD1 4.35Å; Y747-L751 PolarHBondContact O-N 3.26Å |
| 748 | L | 89.9 | Confident | 89.7 | Confident | 5 Ų | 5 | 47.3 Ų | 47.3 | 3% | 0.026 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -64.3 | -34.5 | 177.4 | -65.3 | 175.1 | 0 | 0 | 0 | 112.3 | R572 K744 M745 S750 L751 F752 N753 Y758 | R572-L748 HydrophobicContact CG-CD2 3.88Å; K744-L748 WeakPolarHBondContact O-CG 3.17Å; K744-L748 PolarHBondContact O-N 3.49Å; M745-L748 PolarHBondContact O-N 3.24Å; L748-S750 VanDerWaalsContact C-N 3.31Å; L748-S750 PolarHBondContact O-N 3.16Å; L748-L751 PolarHBondContact O-N 3.43Å; L748-F752 PolarHBondContact O-N 3.37Å; L748-N753 PolarHBondContact O-N 2.97Å; L748-Y758 VanDerWaalsContact CD1-CB 3.47Å; L748-Y758 HydrophobicContact CD1-CD1 3.77Å; L748-Y758 HydrophobicContact CD1-CD2 3.86Å; L748-Y758 HydrophobicContact CD1-CE1 4.47Å; L748-Y758 HydrophobicContact CD1-CG 3.41Å; L748-Y758 VanDerWaalsContact CD1-CG 3.41Å |
| 749 | N | 92.9 | Very high | 90 | Very high | 56 Ų | 56 | 46.4 Ų | 46.4 | 30% | 0.299 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -63.8 | -38.7 | 174.5 | -77.2 | -23.5 | 0 | 0 | 0 | 112 | M745 N746 Y747 L751 N753 G755 | M745-N749 VanDerWaalsContact O-CB 3.25Å; M745-N749 WeakPolarHBondContact O-CB 3.44Å; M745-N749 PolarHBondContact O-N 3.36Å; M745-N749 PolarHBondContact O-ND2 2.92Å; N746-N749 PolarHBondContact O-N 3.18Å; Y747-N749 VanDerWaalsContact C-N 3.28Å; Y747-N749 PolarHBondContact O-N 2.86Å; N749-L751 VanDerWaalsContact C-N 3.26Å; N749-L751 PolarHBondContact O-N 3.26Å; N749-N753 WeakPolarHBondContact O-CA 3.44Å; N749-N753 PolarHBondContact O-N 3.27Å; N749-G755 VanDerWaalsContact OD1-CA 3.23Å; N749-G755 WeakPolarHBondContact OD1-CA 3.45Å; N749-G755 PolarHBondContact OD1-N 2.97Å |
| 750 | S | 89.9 | Confident | 90.2 | Very high | 90 Ų | 90 | 46.1 Ų | 46.1 | 63% | 0.629 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -66.9 | -26.2 | 177.2 | 77.2 | 0 | 0 | 0 | 0 | 113.6 | N746 Y747 L748 | N746-S750 PolarHBondContact O-N 2.69Å; Y747-S750 WeakPolarHBondContact O-CB 3.49Å; Y747-S750 PolarHBondContact O-N 2.79Å; Y747-S750 VanDerWaalsContact O-N 3.12Å; Y747-S750 PolarHBondContact O-OG 3.12Å; L748-S750 VanDerWaalsContact C-N 3.31Å; L748-S750 PolarHBondContact O-N 3.16Å |
| 751 | L | 86.1 | Confident | 90.3 | Very high | 74 Ų | 74 | 43.3 Ų | 43.3 | 39% | 0.387 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -88.6 | -54.2 | 178.8 | -65.2 | 175.9 | 0 | 0 | 0 | 112.3 | Y747 L748 N749 | Y747-L751 HydrophobicContact CD1-CD1 4.1Å; Y747-L751 HydrophobicContact CE1-CD1 3.47Å; Y747-L751 VanDerWaalsContact CE1-CD1 3.47Å; Y747-L751 HydrophobicContact CE1-CG 4.49Å; Y747-L751 HydrophobicContact CE2-CD1 4.35Å; Y747-L751 PolarHBondContact O-N 3.26Å; L748-L751 PolarHBondContact O-N 3.43Å; N749-L751 VanDerWaalsContact C-N 3.26Å; N749-L751 PolarHBondContact O-N 3.26Å |
| 752 | F | 84.8 | Confident | 90.3 | Very high | 85 Ų | 85 | 44.9 Ų | 44.9 | 37% | 0.373 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -137.1 | 7.1 | -168 | -53.6 | -63.8 | 0 | 0 | 0 | 114.2 | D571 I575 L748 S754 | D571-F752 HydrophobicContact CB-CD2 4.3Å; D571-F752 WeakPolarHBondContact O-CE2 3.38Å; I575-F752 HydrophobicContact CB-CZ 4.19Å; I575-F752 HydrophobicContact CG2-CE1 3.83Å; I575-F752 HydrophobicContact CG2-CE2 4.32Å; I575-F752 HydrophobicContact CG2-CZ 3.43Å; I575-F752 VanDerWaalsContact CG2-CZ 3.43Å; L748-F752 PolarHBondContact O-N 3.37Å; F752-S754 PolarHBondContact O-N 3.05Å |
| 753 | N | 87.9 | Confident | 90.3 | Very high | 132 Ų | 132 | 41.8 Ų | 41.8 | 71% | 0.706 | 21% | 0.214 | S | C | * | . | S | Bend | trans | 55.6 | 27.7 | -171.7 | -156.8 | 32.6 | 0 | 0 | 0 | 113.7 | L748 N749 | L748-N753 PolarHBondContact O-N 2.97Å; N749-N753 WeakPolarHBondContact O-CA 3.44Å; N749-N753 PolarHBondContact O-N 3.27Å |
| 754 | S | 87.7 | Confident | 90.3 | Very high | 4 Ų | 4 | 40.2 Ų | 40.2 | 3% | 0.028 | 21% | 0.207 | C | C | . | . | trans | -101.8 | 14.9 | -173.6 | 62.8 | 0 | 0 | 0 | 0 | 114.4 | D571 F752 Q756 E757 Y758 | D571-S754 WeakPolarHBondContact OD2-CB 3.35Å; D571-S754 PolarHBondContact OD2-OG 3.2Å; D571-S754 VanDerWaalsContact OD2-OG 3.07Å; F752-S754 PolarHBondContact O-N 3.05Å; S754-Q756 PolarHBondContact O-N 2.91Å; S754-E757 WeakPolarHBondContact O-CB 3.43Å; S754-E757 PolarHBondContact O-N 3.48Å; S754-Y758 PolarHBondContact O-N 3.12Å | ||
| 755 | G | 89.7 | Confident | 90.2 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -63.5 | -38.4 | -180 | 0 | 0 | 0 | 0 | 0 | 113.5 | M745 N749 E757 Y759 | M745-G755 WeakPolarHBondContact CE-O 3.44Å; M745-G755 WeakPolarHBondContact CG-O 3.13Å; N749-G755 VanDerWaalsContact OD1-CA 3.23Å; N749-G755 WeakPolarHBondContact OD1-CA 3.45Å; N749-G755 PolarHBondContact OD1-N 2.97Å; G755-E757 VanDerWaalsContact C-N 3.34Å; G755-Y759 PolarHBondContact O-N 3.47Å; G755-Y759 VanDerWaalsContact O-N 3.09Å |
| 756 | Q | 90.7 | Very high | 90 | Very high | 70 Ų | 70 | 40.2 Ų | 40.2 | 33% | 0.327 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -67.3 | -37.6 | 174.3 | 179.4 | 60.4 | 38 | 0 | 0 | 111.6 | S754 Y759 E760 | S754-Q756 PolarHBondContact O-N 2.91Å; Q756-Y759 WeakPolarHBondContact O-CB 3.34Å; Q756-Y759 PolarHBondContact O-N 3.2Å; Q756-E760 PolarHBondContact NE2-OE1 3.28Å; Q756-E760 WeakPolarHBondContact O-CG 3.18Å; Q756-E760 PolarHBondContact O-N 2.9Å; Q756-E760 VanDerWaalsContact O-N 3.17Å |
| 757 | E | 89.8 | Confident | 90 | Very high | 49 Ų | 49 | 36.2 Ų | 36.2 | 23% | 0.229 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -65.3 | -44.3 | 176.8 | -173.6 | 163.4 | -152.2 | 0 | 0 | 111.2 | R567 S754 G755 Y759 E760 D761 K799 | R567-E757 WeakPolarHBondContact CD-OE1 3.35Å; R567-E757 IonicContact CZ-OE1 3.19Å; R567-E757 IonicContact CZ-OE2 3.09Å; R567-E757 IonicContact NE-OE1 2.86Å; R567-E757 IonicContact NE-OE2 2.75Å; R567-E757 PolarHBondContact NE-OE2 3.4Å; R567-E757 IonicContact NH1-OE1 2.68Å; R567-E757 PolarHBondContact NH1-OE1 3.37Å; R567-E757 IonicContact NH1-OE2 3.85Å; R567-E757 PolarHBondContact NH1-OE2 2.99Å; R567-E757 IonicContact NH2-OE2 3.93Å; R567-E757 PolarHBondContact NH2-OE2 3.36Å; S754-E757 WeakPolarHBondContact O-CB 3.43Å; S754-E757 PolarHBondContact O-N 3.48Å; G755-E757 VanDerWaalsContact C-N 3.34Å; E757-Y759 VanDerWaalsContact C-N 3.32Å; E757-Y759 PolarHBondContact O-N 3.33Å; E757-E760 CarbonylContact O-C 3.56Å; E757-E760 WeakPolarHBondContact O-CB 3.32Å; E757-E760 PolarHBondContact O-N 3.48Å; E757-E760 VanDerWaalsContact O-N 3.14Å; E757-D761 WeakPolarHBondContact O-CB 3.22Å; E757-D761 PolarHBondContact O-N 2.95Å; E757-K799 PolarHBondContact O-NZ 2.9Å |
| 758 | Y | 90.6 | Very high | 89.9 | Confident | 11 Ų | 11 | 34.7 Ų | 34.7 | 4% | 0.043 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -56.8 | -42.6 | 172.5 | 173.1 | -112.8 | 0 | 0 | 0 | 112.9 | E568 L741 K744 M745 L748 S754 E760 D761 L762 | E568-Y758 HydrophobicContact CG-CD2 4.29Å; E568-Y758 WeakPolarHBondContact OE1-CE2 3.34Å; L741-Y758 HydrophobicContact CD1-CD1 4.24Å; L741-Y758 HydrophobicContact CD1-CE1 3.77Å; K744-Y758 HydrophobicContact CB-CE1 3.9Å; K744-Y758 HydrophobicContact CD-CE1 4.29Å; M745-Y758 HydrophobicContact CG-CD1 4.25Å; L748-Y758 VanDerWaalsContact CD1-CB 3.47Å; L748-Y758 HydrophobicContact CD1-CD1 3.77Å; L748-Y758 HydrophobicContact CD1-CD2 3.86Å; L748-Y758 HydrophobicContact CD1-CE1 4.47Å; L748-Y758 HydrophobicContact CD1-CG 3.41Å; L748-Y758 VanDerWaalsContact CD1-CG 3.41Å; S754-Y758 PolarHBondContact O-N 3.12Å; Y758-E760 VanDerWaalsContact C-N 3.29Å; Y758-E760 PolarHBondContact O-N 3Å; Y758-D761 PolarHBondContact O-N 3.34Å; Y758-L762 HydrophobicContact CD1-CD1 4.37Å; Y758-L762 HydrophobicContact CD2-CG 4.44Å; Y758-L762 HydrophobicContact CE1-CD1 3.76Å; Y758-L762 HydrophobicContact CE1-CG 4.36Å; Y758-L762 HydrophobicContact CE2-CD1 4.24Å; Y758-L762 HydrophobicContact CE2-CD2 3.94Å; Y758-L762 HydrophobicContact CE2-CG 3.99Å; Y758-L762 WeakPolarHBondContact O-CG 3.23Å; Y758-L762 PolarHBondContact O-N 3.25Å |
| 759 | Y | 92.2 | Very high | 89.6 | Confident | 25 Ų | 25 | 35.3 Ų | 35.3 | 10% | 0.098 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61 | -40.1 | 177.2 | 178.9 | -120.8 | 0 | 0 | 0 | 112.6 | Y733 P734 R736 L741 M745 G755 Q756 E757 | Y733-Y759 WeakPolarHBondContact CB-OH 3.49Å; Y733-Y759 AromaticContact CD1-CD1 3.83Å; Y733-Y759 HydrophobicContact CD1-CD1 3.83Å; Y733-Y759 HydrophobicContact CD1-CD2 4.47Å; Y733-Y759 AromaticContact CD1-CE1 3.35Å; Y733-Y759 HydrophobicContact CD1-CE1 3.35Å; Y733-Y759 HydrophobicContact CD1-CE2 4.08Å; Y733-Y759 HydrophobicContact CD1-CG 4.39Å; Y733-Y759 AromaticContact CD1-CZ 3.51Å; Y733-Y759 AromaticContact CE1-CD1 3.95Å; Y733-Y759 HydrophobicContact CE1-CD1 3.95Å; Y733-Y759 AromaticContact CE1-CE1 3.79Å; Y733-Y759 HydrophobicContact CE1-CE1 3.79Å; Y733-Y759 HydrophobicContact CG-CE1 4.14Å; P734-Y759 HydrophobicContact CG-CD2 3.91Å; P734-Y759 HydrophobicContact CG-CE2 3.7Å; P734-Y759 VanDerWaalsContact O-CE2 3.24Å; P734-Y759 WeakPolarHBondContact O-CE2 3.34Å; P734-Y759 PolarHBondContact O-OH 3.32Å; R736-Y759 HydrophobicContact CB-CE2 4.32Å; L741-Y759 HydrophobicContact CD1-CD2 4.49Å; L741-Y759 HydrophobicContact CD2-CD2 3.66Å; L741-Y759 HydrophobicContact CD2-CE2 3.69Å; L741-Y759 HydrophobicContact CG-CD2 4.49Å; M745-Y759 HydrophobicContact CE-CG 4.36Å; M745-Y759 HydrophobicContact SD-CD2 4.46Å; M745-Y759 HydrophobicContact SD-CG 4.4Å; G755-Y759 PolarHBondContact O-N 3.47Å; G755-Y759 VanDerWaalsContact O-N 3.09Å; Q756-Y759 WeakPolarHBondContact O-CB 3.34Å; Q756-Y759 PolarHBondContact O-N 3.2Å; E757-Y759 VanDerWaalsContact C-N 3.32Å; E757-Y759 PolarHBondContact O-N 3.33Å |
| 760 | E | 92.4 | Very high | 89.4 | Confident | 33 Ų | 33 | 32.6 Ų | 32.6 | 15% | 0.154 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -70 | -40.6 | 174 | -67.9 | 166.6 | -163.4 | 0 | 0 | 111.4 | Y733 Q756 E757 Y758 L762 C763 F764 K799 | Y733-E760 HydrophobicContact CE1-CG 4.14Å; Q756-E760 PolarHBondContact NE2-OE1 3.28Å; Q756-E760 WeakPolarHBondContact O-CG 3.18Å; Q756-E760 PolarHBondContact O-N 2.9Å; Q756-E760 VanDerWaalsContact O-N 3.17Å; E757-E760 CarbonylContact O-C 3.56Å; E757-E760 WeakPolarHBondContact O-CB 3.32Å; E757-E760 PolarHBondContact O-N 3.48Å; E757-E760 VanDerWaalsContact O-N 3.14Å; Y758-E760 VanDerWaalsContact C-N 3.29Å; Y758-E760 PolarHBondContact O-N 3Å; E760-L762 VanDerWaalsContact C-N 3.34Å; E760-L762 PolarHBondContact O-N 2.85Å; E760-C763 WeakPolarHBondContact O-CB 3.15Å; E760-C763 PolarHBondContact O-N 3.24Å; E760-F764 WeakPolarHBondContact O-CD2 3.45Å; E760-F764 PolarHBondContact O-N 3.1Å; E760-K799 HydrophobicContact CB-CD 4.25Å; E760-K799 VanDerWaalsContact OE2-CE 3.3Å; E760-K799 WeakPolarHBondContact OE2-CE 3.4Å; E760-K799 IonicContact OE2-NZ 3.99Å |
| 761 | D | 90.7 | Very high | 89.2 | Confident | 4 Ų | 4 | 28.4 Ų | 28.4 | 2% | 0.021 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -60.3 | -42.2 | -179.7 | -70.2 | -12.5 | 0 | 0 | 0 | 111.9 | P565 E757 Y758 C763 F764 K765 K799 | P565-D761 WeakPolarHBondContact CB-OD1 3.39Å; P565-D761 HydrophobicContact CG-CB 3.47Å; P565-D761 VanDerWaalsContact CG-CB 3.47Å; P565-D761 WeakPolarHBondContact CG-OD1 3.47Å; E757-D761 WeakPolarHBondContact O-CB 3.22Å; E757-D761 PolarHBondContact O-N 2.95Å; Y758-D761 PolarHBondContact O-N 3.34Å; D761-C763 VanDerWaalsContact C-N 3.25Å; D761-C763 PolarHBondContact O-N 3.42Å; D761-F764 PolarHBondContact O-N 3.22Å; D761-K765 WeakPolarHBondContact O-CB 3.39Å; D761-K765 PolarHBondContact O-N 3Å; D761-K799 IonicContact OD1-NZ 3.63Å; D761-K799 PolarHBondContact OD1-NZ 3.27Å |
| 762 | L | 90.1 | Very high | 89 | Confident | 46 Ų | 46 | 25.5 Ų | 25.5 | 24% | 0.241 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -57 | -39.8 | 174 | -70.6 | 177.8 | 0 | 0 | 0 | 112.4 | P734 L741 Y758 E760 A766 | P734-L762 HydrophobicContact CG-CB 4.13Å; P734-L762 HydrophobicContact CG-CD1 3.92Å; L741-L762 HydrophobicContact CD1-CD1 3.75Å; Y758-L762 HydrophobicContact CD1-CD1 4.37Å; Y758-L762 HydrophobicContact CD2-CG 4.44Å; Y758-L762 HydrophobicContact CE1-CD1 3.76Å; Y758-L762 HydrophobicContact CE1-CG 4.36Å; Y758-L762 HydrophobicContact CE2-CD1 4.24Å; Y758-L762 HydrophobicContact CE2-CD2 3.94Å; Y758-L762 HydrophobicContact CE2-CG 3.99Å; Y758-L762 WeakPolarHBondContact O-CG 3.23Å; Y758-L762 PolarHBondContact O-N 3.25Å; E760-L762 VanDerWaalsContact C-N 3.34Å; E760-L762 PolarHBondContact O-N 2.85Å; L762-A766 PolarHBondContact O-N 2.71Å |
| 763 | C | 91.9 | Very high | 88.6 | Confident | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -68.4 | -49.3 | 177.9 | -179.3 | 0 | 0 | 0 | 0 | 111.2 | P732 Y733 E760 D761 A766 I767 | P732-C763 VanDerWaalsContact CD-SG 3.53Å; Y733-C763 HydrophobicContact CD1-CB 3.73Å; Y733-C763 HydrophobicContact CE1-CB 3.83Å; Y733-C763 HydrophobicContact CG-CB 4.11Å; E760-C763 WeakPolarHBondContact O-CB 3.15Å; E760-C763 PolarHBondContact O-N 3.24Å; D761-C763 VanDerWaalsContact C-N 3.25Å; D761-C763 PolarHBondContact O-N 3.42Å; C763-A766 PolarHBondContact O-N 3.4Å; C763-I767 WeakPolarHBondContact O-CD1 3.36Å; C763-I767 WeakPolarHBondContact O-CG1 3.37Å; C763-I767 PolarHBondContact O-N 3.1Å; C763-I767 VanDerWaalsContact O-N 3.13Å |
| 764 | F | 92.1 | Very high | 88.4 | Confident | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -71 | -34.1 | -176.4 | -82.2 | -80.4 | 0 | 0 | 0 | 113.2 | M731 E760 D761 A766 I767 N768 Y791 Y796 K799 L800 | M731-F764 HydrophobicContact CE-CE1 4.4Å; M731-F764 HydrophobicContact CE-CE2 3.55Å; M731-F764 HydrophobicContact CE-CZ 3.39Å; E760-F764 WeakPolarHBondContact O-CD2 3.45Å; E760-F764 PolarHBondContact O-N 3.1Å; D761-F764 PolarHBondContact O-N 3.22Å; F764-A766 VanDerWaalsContact C-N 3.3Å; F764-A766 PolarHBondContact O-N 3.09Å; F764-I767 HydrophobicContact CD1-CD1 4.13Å; F764-I767 HydrophobicContact CE1-CD1 4.25Å; F764-I767 WeakPolarHBondContact O-CB 3.3Å; F764-I767 PolarHBondContact O-N 2.89Å; F764-N768 WeakPolarHBondContact O-CB 3.41Å; F764-N768 PolarHBondContact O-N 3.32Å; F764-N768 PolarHBondContact O-ND2 3.39Å; F764-N768 PolarHBondContact O-OD1 3.38Å; F764-Y791 HydrophobicContact CE1-CD1 4.44Å; F764-Y791 HydrophobicContact CE1-CE1 4.11Å; F764-Y791 HydrophobicContact CZ-CE1 4.38Å; F764-Y796 AromaticContact CE2-CD1 3.64Å; F764-Y796 HydrophobicContact CE2-CD1 3.64Å; F764-Y796 HydrophobicContact CE2-CE1 4.25Å; F764-Y796 AromaticContact CE2-CG 3.85Å; F764-Y796 HydrophobicContact CE2-CG 3.85Å; F764-Y796 VanDerWaalsContact CZ-CB 3.42Å; F764-Y796 AromaticContact CZ-CD1 3.87Å; F764-Y796 HydrophobicContact CZ-CD1 3.87Å; F764-Y796 HydrophobicContact CZ-CD2 4.13Å; F764-Y796 AromaticContact CZ-CG 3.55Å; F764-Y796 HydrophobicContact CZ-CG 3.55Å; F764-K799 HydrophobicContact CB-CB 3.86Å; F764-K799 HydrophobicContact CB-CD 4.49Å; F764-K799 HydrophobicContact CD1-CB 3.92Å; F764-K799 HydrophobicContact CD2-CB 3.97Å; F764-K799 HydrophobicContact CD2-CD 3.52Å; F764-K799 HydrophobicContact CD2-CG 4.39Å; F764-K799 HydrophobicContact CE2-CD 4Å; F764-K799 HydrophobicContact CG-CB 3.61Å; F764-K799 HydrophobicContact CG-CD 4.06Å; F764-K799 HydrophobicContact CG-CG 4.49Å; F764-L800 HydrophobicContact CD1-CD2 3.89Å; F764-L800 HydrophobicContact CD1-CG 4.28Å; F764-L800 HydrophobicContact CE1-CD2 4.08Å; F764-L800 HydrophobicContact CE1-CG 4.26Å |
| 765 | K | 88.9 | Confident | 88.1 | Confident | 26 Ų | 26 | 16.5 Ų | 16.5 | 11% | 0.113 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -57.4 | -44.9 | 172.5 | -174 | 176.6 | -168.6 | 166 | 0 | 112 | H376 E568 D761 N768 Q769 | H376-K765 WeakPolarHBondContact O-CE 3.1Å; H376-K765 PolarHBondContact O-NZ 3.28Å; E568-K765 IonicContact OE2-NZ 3.83Å; E568-K765 PolarHBondContact OE2-NZ 3.21Å; D761-K765 WeakPolarHBondContact O-CB 3.39Å; D761-K765 PolarHBondContact O-N 3Å; K765-N768 PolarHBondContact O-N 2.92Å; K765-Q769 WeakPolarHBondContact O-CG 3.26Å; K765-Q769 PolarHBondContact O-N 2.7Å |
| 766 | A | 88.6 | Confident | 87.6 | Confident | 18 Ų | 18 | 17.9 Ų | 17.9 | 15% | 0.149 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -68.3 | -37.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112 | V708 P732 L762 C763 F764 S770 | V708-A766 HydrophobicContact CG1-CB 3.44Å; V708-A766 VanDerWaalsContact CG1-CB 3.44Å; P732-A766 HydrophobicContact CG-CB 4.39Å; L762-A766 PolarHBondContact O-N 2.71Å; C763-A766 PolarHBondContact O-N 3.4Å; F764-A766 VanDerWaalsContact C-N 3.3Å; F764-A766 PolarHBondContact O-N 3.09Å; A766-S770 PolarHBondContact O-N 3.18Å |
| 767 | I | 91.4 | Very high | 87.1 | Confident | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -61.6 | -49.9 | 171.8 | -71.5 | 161 | 0 | 0 | 0 | 111.1 | I728 P732 C763 F764 Q769 S770 V771 F786 Y791 L800 | I728-I767 HydrophobicContact CD1-CG2 3.71Å; I728-I767 HydrophobicContact CG2-CG1 4.4Å; P732-I767 HydrophobicContact CG-CD1 4.38Å; P732-I767 HydrophobicContact CG-CG1 3.9Å; C763-I767 WeakPolarHBondContact O-CD1 3.36Å; C763-I767 WeakPolarHBondContact O-CG1 3.37Å; C763-I767 PolarHBondContact O-N 3.1Å; C763-I767 VanDerWaalsContact O-N 3.13Å; F764-I767 HydrophobicContact CD1-CD1 4.13Å; F764-I767 HydrophobicContact CE1-CD1 4.25Å; F764-I767 WeakPolarHBondContact O-CB 3.3Å; F764-I767 PolarHBondContact O-N 2.89Å; I767-Q769 VanDerWaalsContact C-N 3.3Å; I767-Q769 PolarHBondContact O-N 2.89Å; I767-S770 WeakPolarHBondContact O-CB 3.13Å; I767-S770 PolarHBondContact O-N 3.18Å; I767-V771 HydrophobicContact CG2-CG2 4.14Å; I767-V771 WeakPolarHBondContact O-CG2 3.4Å; I767-V771 PolarHBondContact O-N 3.42Å; I767-F786 HydrophobicContact CG2-CE1 3.9Å; I767-Y791 HydrophobicContact CD1-CE1 3.99Å; I767-Y791 WeakPolarHBondContact CD1-OH 3.46Å; I767-L800 HydrophobicContact CG2-CD2 4.03Å |
| 768 | N | 88.8 | Confident | 86.6 | Confident | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -62.1 | -39.1 | -176.3 | -67.2 | -10.8 | 0 | 0 | 0 | 111.2 | T562 E564 F764 K765 S770 V771 G772 K799 L800 P801 | T562-N768 HydrophobicContact CG2-CB 4.39Å; E564-N768 PolarHBondContact O-ND2 3.32Å; F764-N768 WeakPolarHBondContact O-CB 3.41Å; F764-N768 PolarHBondContact O-N 3.32Å; F764-N768 PolarHBondContact O-ND2 3.39Å; F764-N768 PolarHBondContact O-OD1 3.38Å; K765-N768 PolarHBondContact O-N 2.92Å; N768-S770 VanDerWaalsContact C-N 3.34Å; N768-S770 PolarHBondContact O-N 2.84Å; N768-V771 PolarHBondContact O-N 3.39Å; N768-G772 PolarHBondContact O-N 3.35Å; N768-K799 PolarHBondContact ND2-O 3.47Å; N768-L800 WeakPolarHBondContact OD1-CD2 3.39Å; N768-P801 HydrophobicContact CB-CG 4.5Å; N768-P801 WeakPolarHBondContact OD1-CD 3.44Å |
| 769 | Q | 85.3 | Confident | 86.2 | Confident | 18 Ų | 18 | 25.6 Ų | 25.6 | 8% | 0.084 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -59.8 | -41.1 | 173 | -77.4 | 176.1 | -5.2 | 0 | 0 | 112.9 | H376 N377 K765 I767 R773 | H376-Q769 PolarHBondContact CD2-NE2 2.93Å; H376-Q769 PolarHBondContact NE2-NE2 3.19Å; N377-Q769 PolarHBondContact OD1-NE2 2.83Å; K765-Q769 WeakPolarHBondContact O-CG 3.26Å; K765-Q769 PolarHBondContact O-N 2.7Å; I767-Q769 VanDerWaalsContact C-N 3.3Å; I767-Q769 PolarHBondContact O-N 2.89Å; Q769-R773 VanDerWaalsContact O-CG 3.25Å; Q769-R773 WeakPolarHBondContact O-CG 3.48Å; Q769-R773 PolarHBondContact O-NE 3.36Å |
| 770 | S | 86.9 | Confident | 86 | Confident | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -70.1 | -43.2 | 177.1 | -74.2 | 0 | 0 | 0 | 0 | 112.1 | A766 I767 N768 R773 | A766-S770 PolarHBondContact O-N 3.18Å; I767-S770 WeakPolarHBondContact O-CB 3.13Å; I767-S770 PolarHBondContact O-N 3.18Å; N768-S770 VanDerWaalsContact C-N 3.34Å; N768-S770 PolarHBondContact O-N 2.84Å; S770-R773 PolarHBondContact O-N 3.47Å |
| 771 | V | 86.9 | Confident | 85.9 | Confident | 2 Ų | 2 | 24.3 Ų | 24.3 | 1% | 0.012 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -66.1 | -43.2 | -179.4 | 172.1 | 0 | 0 | 0 | 0 | 112 | I728 I767 N768 R773 A774 L784 F786 W803 L804 | I728-V771 HydrophobicContact CD1-CG2 3.5Å; I728-V771 VanDerWaalsContact CD1-CG2 3.5Å; I767-V771 HydrophobicContact CG2-CG2 4.14Å; I767-V771 WeakPolarHBondContact O-CG2 3.4Å; I767-V771 PolarHBondContact O-N 3.42Å; N768-V771 PolarHBondContact O-N 3.39Å; V771-R773 PolarHBondContact O-N 3.35Å; V771-A774 PolarHBondContact O-N 2.84Å; V771-L784 HydrophobicContact CG1-CD1 3.51Å; V771-L784 HydrophobicContact CG1-CD2 4.02Å; V771-L784 HydrophobicContact CG1-CG 4.38Å; V771-F786 HydrophobicContact CG2-CE1 3.99Å; V771-F786 HydrophobicContact CG2-CZ 3.94Å; V771-W803 HydrophobicContact CG1-CH2 4.18Å; V771-W803 HydrophobicContact CG1-CZ2 4.37Å; V771-L804 HydrophobicContact CG1-CD1 3.64Å |
| 772 | G | 81 | Confident | 86 | Confident | 13 Ų | 13 | 24.1 Ų | 24.1 | 13% | 0.134 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -0.4 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | T69 N768 | T69-G772 PolarHBondContact OG1-O 3.27Å; N768-G772 PolarHBondContact O-N 3.35Å |
| 773 | R | 77.6 | Confident | 86.3 | Confident | 27 Ų | 27 | 22 Ų | 22 | 10% | 0.102 | 11% | 0.108 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | -13.8 | 179.9 | -53.7 | -61.8 | 158.4 | -174.8 | -10.1 | 114.4 | Q769 S770 V771 R776 | Q769-R773 VanDerWaalsContact O-CG 3.25Å; Q769-R773 WeakPolarHBondContact O-CG 3.48Å; Q769-R773 PolarHBondContact O-NE 3.36Å; S770-R773 PolarHBondContact O-N 3.47Å; V771-R773 PolarHBondContact O-N 3.35Å; R773-R776 PolarHBondContact O-NE 3.07Å; R773-R776 PolarHBondContact O-NH2 3.48Å |
| 774 | A | 82.1 | Confident | 86.5 | Confident | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 11% | 0.109 | C | C | . | . | S | Bend | trans | -77.4 | -28.1 | -172.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | V726 V771 A782 L784 | V726-A774 HydrophobicContact CG2-CB 3.65Å; V771-A774 PolarHBondContact O-N 2.84Å; A774-A782 HydrophobicContact CB-CB 3.88Å; A774-L784 HydrophobicContact CB-CD2 4.02Å |
| 775 | I | 82.1 | Confident | 86.7 | Confident | 4 Ų | 4 | 22.1 Ų | 22.1 | 2% | 0.021 | 11% | 0.109 | C | C | . | . | trans | -122 | 124.1 | -171.8 | -53 | 176.8 | 0 | 0 | 0 | 108.7 | H591 V593 I598 D780 A782 W803 | H591-I775 WeakPolarHBondContact CE1-CG2 3.19Å; H591-I775 WeakPolarHBondContact NE2-CG2 3.4Å; V593-I775 HydrophobicContact CB-CG2 4.35Å; V593-I775 HydrophobicContact CG2-CG2 3.68Å; I598-I775 HydrophobicContact CB-CD1 4.44Å; I598-I775 HydrophobicContact CD1-CD1 3.42Å; I598-I775 VanDerWaalsContact CD1-CD1 3.42Å; I598-I775 HydrophobicContact CG1-CD1 3.54Å; I598-I775 HydrophobicContact CG2-CD1 4.2Å; I775-D780 HydrophobicContact CG2-CB 4.05Å; I775-A782 HydrophobicContact CG1-CB 4.2Å; I775-W803 HydrophobicContact CD1-CH2 4.11Å; I775-W803 HydrophobicContact CD1-CZ3 3.98Å | ||
| 776 | R | 79.2 | Confident | 87 | Confident | 29 Ų | 29 | 21 Ų | 21 | 11% | 0.109 | 10% | 0.104 | C | C | . | . | trans | -124.4 | -18.1 | -170.8 | -60.2 | -58.6 | -177.7 | 154 | 17.8 | 116.4 | T69 G70 I716 N717 R773 D780 | T69-R776 PolarHBondContact OG1-NH1 3.31Å; G70-R776 WeakPolarHBondContact CA-O 3.45Å; I716-R776 PolarHBondContact O-NH2 2.82Å; I716-R776 VanDerWaalsContact O-NH2 3.11Å; N717-R776 VanDerWaalsContact OD1-CZ 3.27Å; N717-R776 PolarHBondContact OD1-NH1 2.83Å; N717-R776 PolarHBondContact OD1-NH2 2.77Å; R773-R776 PolarHBondContact O-NE 3.07Å; R773-R776 PolarHBondContact O-NH2 3.48Å; R776-D780 PolarHBondContact N-OD2 3.15Å | ||
| 777 | H | 80.6 | Confident | 87.4 | Confident | 69 Ų | 69 | 20.1 Ų | 20.1 | 32% | 0.319 | 10% | 0.097 | S | C | . | . | S | Bend | trans | -150.7 | 168.8 | 176.5 | 53.8 | 56.8 | 0 | 0 | 0 | 111.7 | V593 D720 K779 D780 | V593-H777 WeakPolarHBondContact CG2-O 3.49Å; D720-H777 IonicContact OD1-CE1 2.69Å; D720-H777 PolarHBondContact OD1-CE1 2.64Å; D720-H777 IonicContact OD1-NE2 3.52Å; D720-H777 PolarHBondContact OD1-NE2 3.02Å; D720-H777 VanDerWaalsContact OD1-NE2 3.1Å; D720-H777 IonicContact OD2-NE2 2.98Å; H777-K779 PolarHBondContact ND1-N 2.91Å; H777-K779 PolarHBondContact O-N 3.41Å; H777-D780 PolarHBondContact ND1-N 3.35Å; H777-D780 VanDerWaalsContact ND1-N 3.16Å; H777-D780 VanDerWaalsContact O-CB 3.28Å; H777-D780 WeakPolarHBondContact O-CB 3.41Å; H777-D780 PolarHBondContact O-N 3.33Å |
| 778 | S | 78.8 | Confident | 87.6 | Confident | 43 Ų | 43 | 20.1 Ų | 20.1 | 30% | 0.301 | 10% | 0.097 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57 | -25.5 | -174.1 | 56.9 | 0 | 0 | 0 | 0 | 115.4 | ||
| 779 | K | 82.9 | Confident | 87.8 | Confident | 181 Ų | 181 | 20.5 Ų | 20.5 | 79% | 0.787 | 10% | 0.1 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -96.9 | 2.9 | 178.2 | -60.7 | -172.7 | 179.4 | -177.8 | 0 | 114.6 | H777 | H777-K779 PolarHBondContact ND1-N 2.91Å; H777-K779 PolarHBondContact O-N 3.41Å |
| 780 | D | 87.2 | Confident | 88.3 | Confident | 1 Ų | 1 | 22.2 Ų | 22.2 | 1% | 0.005 | 11% | 0.105 | C | C | . | . | trans | -79.8 | 159.4 | -175.2 | -151.4 | -2.7 | 0 | 0 | 0 | 111.1 | S597 R724 I775 R776 H777 | S597-D780 WeakPolarHBondContact CB-O 3.37Å; R724-D780 IonicContact CZ-OD1 3.3Å; R724-D780 IonicContact NH1-OD1 2.72Å; R724-D780 PolarHBondContact NH1-OD1 3.01Å; I775-D780 HydrophobicContact CG2-CB 4.05Å; R776-D780 PolarHBondContact N-OD2 3.15Å; H777-D780 PolarHBondContact ND1-N 3.35Å; H777-D780 VanDerWaalsContact ND1-N 3.16Å; H777-D780 VanDerWaalsContact O-CB 3.28Å; H777-D780 WeakPolarHBondContact O-CB 3.41Å; H777-D780 PolarHBondContact O-N 3.33Å | ||
| 781 | F | 91.8 | Very high | 88.6 | Confident | 30 Ų | 30 | 22.4 Ų | 22.4 | 13% | 0.132 | 11% | 0.106 | C | C | . | . | trans | -149 | 141.4 | 176.1 | 66.6 | -87.7 | 0 | 0 | 0 | 111.2 | S597 R724 F824 Y825 F828 | S597-F781 WeakPolarHBondContact O-CA 3.29Å; S597-F781 VanDerWaalsContact O-CB 3.31Å; S597-F781 WeakPolarHBondContact O-CB 3.39Å; R724-F781 PolarHBondContact NH1-O 2.91Å; F781-F824 HydrophobicContact CB-CZ 4.25Å; F781-F824 HydrophobicContact CD2-CE1 4.13Å; F781-F824 HydrophobicContact CD2-CZ 4.27Å; F781-Y825 HydrophobicContact CD2-CD1 4.42Å; F781-Y825 HydrophobicContact CD2-CE1 4.39Å; F781-Y825 AromaticContact CE2-CD1 3.97Å; F781-Y825 HydrophobicContact CE2-CD1 3.97Å; F781-Y825 HydrophobicContact CE2-CE1 4.16Å; F781-F828 HydrophobicContact CB-CD1 4.28Å; F781-F828 HydrophobicContact CB-CD2 4.37Å; F781-F828 HydrophobicContact CB-CE1 3.91Å; F781-F828 HydrophobicContact CB-CE2 4.03Å; F781-F828 HydrophobicContact CB-CZ 3.81Å; F781-F828 HydrophobicContact CD1-CB 4.37Å; F781-F828 AromaticContact CD1-CD1 3.56Å; F781-F828 HydrophobicContact CD1-CD1 3.56Å; F781-F828 HydrophobicContact CD1-CD2 4.43Å; F781-F828 AromaticContact CD1-CE1 3.96Å; F781-F828 HydrophobicContact CD1-CE1 3.96Å; F781-F828 AromaticContact CD1-CG 3.85Å; F781-F828 HydrophobicContact CD1-CG 3.85Å; F781-F828 HydrophobicContact CD2-CB 4.32Å; F781-F828 HydrophobicContact CD2-CD1 4.29Å; F781-F828 AromaticContact CD2-CD2 3.68Å; F781-F828 HydrophobicContact CD2-CD2 3.68Å; F781-F828 HydrophobicContact CD2-CE2 4.12Å; F781-F828 AromaticContact CD2-CG 3.81Å; F781-F828 HydrophobicContact CD2-CG 3.81Å; F781-F828 HydrophobicContact CE1-CB 3.93Å; F781-F828 AromaticContact CE1-CD1 3.89Å; F781-F828 HydrophobicContact CE1-CD1 3.89Å; F781-F828 AromaticContact CE1-CG 3.93Å; F781-F828 HydrophobicContact CE1-CG 3.93Å; F781-F828 HydrophobicContact CE2-CB 3.89Å; F781-F828 HydrophobicContact CE2-CD2 4.05Å; F781-F828 AromaticContact CE2-CG 3.91Å; F781-F828 HydrophobicContact CE2-CG 3.91Å; F781-F828 AromaticContact CG-CD1 3.78Å; F781-F828 HydrophobicContact CG-CD1 3.78Å; F781-F828 AromaticContact CG-CD2 3.91Å; F781-F828 HydrophobicContact CG-CD2 3.91Å; F781-F828 AromaticContact CG-CE1 3.93Å; F781-F828 HydrophobicContact CG-CE1 3.93Å; F781-F828 HydrophobicContact CG-CE2 4.08Å; F781-F828 AromaticContact CG-CG 3.79Å; F781-F828 HydrophobicContact CG-CG 3.79Å; F781-F828 HydrophobicContact CG-CZ 4.11Å; F781-F828 HydrophobicContact CZ-CB 3.68Å; F781-F828 HydrophobicContact CZ-CD1 4.4Å; F781-F828 AromaticContact CZ-CG 3.96Å; F781-F828 HydrophobicContact CZ-CG 3.96Å | ||
| 782 | A | 92.9 | Very high | 88.9 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 149.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | S597 L599 R724 A774 I775 | S597-A782 PolarHBondContact O-N 2.78Å; S597-A782 VanDerWaalsContact O-N 3.1Å; L599-A782 PolarHBondContact N-O 2.94Å; R724-A782 WeakPolarHBondContact O-CA 3.36Å; A774-A782 HydrophobicContact CB-CB 3.88Å; I775-A782 HydrophobicContact CG1-CB 4.2Å |
| 783 | S | 95.3 | Very high | 89.4 | Confident | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 146.3 | 164.8 | 71.8 | 0 | 0 | 0 | 0 | 110.6 | L599 R724 C725 V726 L821 Y825 | L599-S783 CarbonylContact O-C 3.52Å; L599-S783 VanDerWaalsContact O-CA 3.31Å; L599-S783 WeakPolarHBondContact O-CA 2.96Å; R724-S783 PolarHBondContact O-N 3.29Å; C725-S783 WeakPolarHBondContact CA-O 3.49Å; C725-S783 WeakPolarHBondContact CB-OG 3.4Å; C725-S783 PolarHBondContact SG-OG 3.45Å; V726-S783 PolarHBondContact N-O 3.4Å; S783-L821 WeakPolarHBondContact OG-CD2 3.48Å; S783-Y825 WeakPolarHBondContact CB-OH 3.26Å; S783-Y825 PolarHBondContact OG-OH 3.5Å |
| 784 | L | 95.3 | Very high | 90 | Very high | 3 Ų | 3 | 33.5 Ų | 33.5 | 2% | 0.016 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 112.6 | 178.8 | -56.3 | 171.9 | 0 | 0 | 0 | 108 | I598 L599 P600 L601 V726 V771 A774 F786 W803 L804 | I598-L784 HydrophobicContact CG2-CD1 4.38Å; L599-L784 PolarHBondContact O-N 3.49Å; P600-L784 CarbonylContact C-O 3.56Å; P600-L784 WeakPolarHBondContact CA-O 3.48Å; P600-L784 HydrophobicContact CB-CB 4.34Å; L601-L784 PolarHBondContact N-O 3.39Å; V726-L784 HydrophobicContact CB-CD2 3.86Å; V726-L784 HydrophobicContact CG2-CD2 4.21Å; V726-L784 CarbonylContact O-C 3.57Å; V771-L784 HydrophobicContact CG1-CD1 3.51Å; V771-L784 HydrophobicContact CG1-CD2 4.02Å; V771-L784 HydrophobicContact CG1-CG 4.38Å; A774-L784 HydrophobicContact CB-CD2 4.02Å; L784-F786 HydrophobicContact CB-CE2 4.04Å; L784-W803 HydrophobicContact CD1-CH2 4.3Å; L784-L804 HydrophobicContact CD1-CD1 3.85Å; L784-L804 HydrophobicContact CD1-CD2 3.59Å; L784-L804 HydrophobicContact CD1-CG 4.4Å |
| 785 | V | 96.5 | Very high | 90.3 | Very high | 1 Ų | 1 | 36.4 Ų | 36.4 | 1% | 0.006 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 105.1 | -178.3 | 178.7 | 0 | 0 | 0 | 0 | 109 | L601 I603 V726 V727 I728 L787 | L601-V785 CarbonylContact O-C 3.56Å; L601-V785 WeakPolarHBondContact O-CA 3.09Å; I603-V785 HydrophobicContact CD1-CG1 3.47Å; I603-V785 VanDerWaalsContact CD1-CG1 3.47Å; I603-V785 HydrophobicContact CG1-CG1 4.01Å; V726-V785 PolarHBondContact O-N 3.42Å; V727-V785 CarbonylContact C-O 3.59Å; V727-V785 WeakPolarHBondContact CA-O 3.37Å; V727-V785 HydrophobicContact CB-CB 4.47Å; V727-V785 HydrophobicContact CG1-CB 4.26Å; V727-V785 HydrophobicContact CG1-CG1 4.18Å; V727-V785 HydrophobicContact CG2-CB 4.21Å; I728-V785 PolarHBondContact N-O 2.83Å; V785-L787 PolarHBondContact O-N 3.32Å |
| 786 | F | 96.5 | Very high | 90.7 | Very high | 1 Ų | 1 | 37.9 Ų | 37.9 | 0% | 0.004 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 103.5 | 171.6 | -61.8 | -85.1 | 0 | 0 | 0 | 108.9 | P600 L601 V602 I603 I728 I767 V771 L784 D788 Y791 L800 | P600-F786 HydrophobicContact CB-CE2 4.17Å; L601-F786 PolarHBondContact O-N 3.3Å; V602-F786 WeakPolarHBondContact CA-O 3.5Å; V602-F786 HydrophobicContact CG2-CB 4.1Å; V602-F786 HydrophobicContact CG2-CD2 4.44Å; I603-F786 PolarHBondContact N-O 2.8Å; I728-F786 HydrophobicContact CB-CD1 4.5Å; I728-F786 HydrophobicContact CD1-CD1 3.95Å; I728-F786 HydrophobicContact CD1-CE1 3.69Å; I767-F786 HydrophobicContact CG2-CE1 3.9Å; V771-F786 HydrophobicContact CG2-CE1 3.99Å; V771-F786 HydrophobicContact CG2-CZ 3.94Å; L784-F786 HydrophobicContact CB-CE2 4.04Å; F786-D788 PolarHBondContact O-N 2.95Å; F786-Y791 HydrophobicContact CB-CD1 4.36Å; F786-Y791 HydrophobicContact CB-CD2 3.72Å; F786-Y791 HydrophobicContact CB-CE2 3.98Å; F786-Y791 HydrophobicContact CB-CG 3.95Å; F786-Y791 HydrophobicContact CD1-CD1 4.24Å; F786-Y791 AromaticContact CD1-CE1 3.89Å; F786-Y791 HydrophobicContact CD1-CE1 3.89Å; F786-Y791 HydrophobicContact CD1-CE2 4.39Å; F786-Y791 AromaticContact CD1-CZ 3.98Å; F786-L800 HydrophobicContact CE1-CD2 4.17Å; F786-L800 HydrophobicContact CZ-CD1 4.45Å; F786-L800 HydrophobicContact CZ-CD2 4.33Å |
| 787 | L | 95.9 | Very high | 91.2 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 78.5 | -174 | -172.6 | 61.8 | 0 | 0 | 0 | 110.1 | I603 M612 F614 L628 L631 V727 I728 I729 G730 V785 | I603-L787 HydrophobicContact CB-CD1 3.71Å; I603-L787 HydrophobicContact CG2-CD1 3.67Å; M612-L787 HydrophobicContact CB-CD1 4.27Å; M612-L787 HydrophobicContact CG-CD1 3.99Å; M612-L787 HydrophobicContact SD-CD1 4.44Å; F614-L787 WeakPolarHBondContact CD2-O 3.39Å; F614-L787 HydrophobicContact CE2-CD2 4.27Å; F614-L787 HydrophobicContact CE2-CG 3.75Å; F614-L787 WeakPolarHBondContact CE2-O 3.5Å; F614-L787 HydrophobicContact CZ-CD2 4.04Å; F614-L787 HydrophobicContact CZ-CG 4.03Å; L628-L787 HydrophobicContact CD1-CD2 3.38Å; L631-L787 HydrophobicContact CD1-CD1 3.54Å; L631-L787 HydrophobicContact CD1-CD2 4.12Å; L631-L787 HydrophobicContact CD2-CD2 3.98Å; V727-L787 HydrophobicContact CG1-CB 4.49Å; I728-L787 WeakPolarHBondContact O-CB 3.28Å; I728-L787 PolarHBondContact O-N 3.15Å; I729-L787 HydrophobicContact CG1-CD2 4.29Å; G730-L787 PolarHBondContact N-O 3.06Å; V785-L787 PolarHBondContact O-N 3.32Å |
| 788 | D | 95.2 | Very high | 91.5 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 21% | 0.209 | C | C | . | . | trans | -166.7 | 135 | 166.8 | -159.6 | -65.8 | 0 | 0 | 0 | 109.5 | M612 F614 M731 F786 R790 Y791 | M612-D788 CarbonylContact O-C 3.58Å; M612-D788 WeakPolarHBondContact O-CA 3.16Å; F614-D788 WeakPolarHBondContact CB-OD2 3.11Å; F614-D788 HydrophobicContact CD2-CB 4.29Å; F614-D788 PolarHBondContact N-OD2 2.69Å; F614-D788 VanDerWaalsContact N-OD2 3.09Å; M731-D788 HydrophobicContact CG-CB 4.42Å; F786-D788 PolarHBondContact O-N 2.95Å; D788-R790 PolarHBondContact O-N 3.43Å; D788-R790 VanDerWaalsContact O-N 3.12Å; D788-R790 VanDerWaalsContact OD1-CB 3.27Å; D788-R790 WeakPolarHBondContact OD1-CB 3.44Å; D788-R790 VanDerWaalsContact OD1-CG 3.25Å; D788-R790 WeakPolarHBondContact OD1-CG 3.36Å; D788-R790 IonicContact OD1-CZ 2.94Å; D788-R790 PolarHBondContact OD1-N 2.88Å; D788-R790 IonicContact OD1-NE 3.56Å; D788-R790 PolarHBondContact OD1-NE 2.92Å; D788-R790 IonicContact OD1-NH2 2.74Å; D788-R790 IonicContact OD2-CZ 2.89Å; D788-R790 IonicContact OD2-NE 3.42Å; D788-R790 PolarHBondContact OD2-NE 3.25Å; D788-R790 IonicContact OD2-NH2 3.26Å; D788-R790 PolarHBondContact OD2-NH2 3.46Å; D788-Y791 HydrophobicContact CB-CD2 3.52Å; D788-Y791 HydrophobicContact CB-CE2 3.63Å; D788-Y791 WeakPolarHBondContact O-CD2 3.41Å; D788-Y791 PolarHBondContact O-N 2.91Å | ||
| 789 | C | 94.4 | Very high | 92 | Very high | 9 Ų | 9 | 41 Ų | 41 | 6% | 0.061 | 20% | 0.198 | C | C | . | . | G | 310 helix | trans | -57.6 | -26.6 | 175.7 | 65.9 | 0 | 0 | 0 | 0 | 113.3 | K611 M612 Y791 S792 | K611-C789 WeakPolarHBondContact CE-SG 3.22Å; K611-C789 HydrophobicContact CG-CB 4.01Å; M612-C789 WeakPolarHBondContact O-CB 3.37Å; M612-C789 PolarHBondContact O-N 2.69Å; M612-C789 PolarHBondContact O-SG 3.01Å; C789-Y791 VanDerWaalsContact C-N 3.26Å; C789-Y791 PolarHBondContact O-N 2.84Å; C789-S792 VanDerWaalsContact O-CB 3.25Å; C789-S792 WeakPolarHBondContact O-CB 3.48Å; C789-S792 PolarHBondContact O-N 3.36Å; C789-S792 VanDerWaalsContact O-N 3.1Å; C789-S792 PolarHBondContact O-OG 3.06Å |
| 790 | R | 94.3 | Very high | 92.3 | Very high | 54 Ų | 54 | 32.6 Ų | 32.6 | 20% | 0.204 | 16% | 0.162 | C | C | . | . | G | 310 helix | trans | -66.7 | -24.6 | -179.3 | -67 | 174.4 | -68.5 | 169.8 | -3 | 113 | F614 M731 D788 S792 N793 Y796 | F614-R790 PolarHBondContact O-NH2 2.95Å; M731-R790 HydrophobicContact SD-CB 3.67Å; D788-R790 PolarHBondContact O-N 3.43Å; D788-R790 VanDerWaalsContact O-N 3.12Å; D788-R790 VanDerWaalsContact OD1-CB 3.27Å; D788-R790 WeakPolarHBondContact OD1-CB 3.44Å; D788-R790 VanDerWaalsContact OD1-CG 3.25Å; D788-R790 WeakPolarHBondContact OD1-CG 3.36Å; D788-R790 IonicContact OD1-CZ 2.94Å; D788-R790 PolarHBondContact OD1-N 2.88Å; D788-R790 IonicContact OD1-NE 3.56Å; D788-R790 PolarHBondContact OD1-NE 2.92Å; D788-R790 IonicContact OD1-NH2 2.74Å; D788-R790 IonicContact OD2-CZ 2.89Å; D788-R790 IonicContact OD2-NE 3.42Å; D788-R790 PolarHBondContact OD2-NE 3.25Å; D788-R790 IonicContact OD2-NH2 3.26Å; D788-R790 PolarHBondContact OD2-NH2 3.46Å; R790-S792 PolarHBondContact O-N 3.48Å; R790-N793 WeakPolarHBondContact O-CB 3.45Å; R790-N793 PolarHBondContact O-N 3.4Å; R790-N793 VanDerWaalsContact O-N 3.16Å; R790-Y796 VanDerWaalsContact O-CD2 3.32Å; R790-Y796 WeakPolarHBondContact O-CD2 3.12Å; R790-Y796 WeakPolarHBondContact O-CE2 3.08Å |
| 791 | Y | 94.5 | Very high | 92.1 | Very high | 3 Ų | 3 | 32.6 Ų | 32.6 | 1% | 0.012 | 16% | 0.162 | C | C | . | . | G | 310 helix | trans | -65.7 | -12.6 | 173.2 | -69.3 | -72.3 | 0 | 0 | 0 | 113.3 | G730 M731 F764 I767 F786 D788 C789 N793 W797 | G730-Y791 PolarHBondContact O-OH 3.4Å; M731-Y791 HydrophobicContact CE-CE1 4.25Å; M731-Y791 HydrophobicContact CG-CD2 4.5Å; M731-Y791 HydrophobicContact CG-CE1 4.2Å; M731-Y791 HydrophobicContact CG-CE2 3.82Å; F764-Y791 HydrophobicContact CE1-CD1 4.44Å; F764-Y791 HydrophobicContact CE1-CE1 4.11Å; F764-Y791 HydrophobicContact CZ-CE1 4.38Å; I767-Y791 HydrophobicContact CD1-CE1 3.99Å; I767-Y791 WeakPolarHBondContact CD1-OH 3.46Å; F786-Y791 HydrophobicContact CB-CD1 4.36Å; F786-Y791 HydrophobicContact CB-CD2 3.72Å; F786-Y791 HydrophobicContact CB-CE2 3.98Å; F786-Y791 HydrophobicContact CB-CG 3.95Å; F786-Y791 HydrophobicContact CD1-CD1 4.24Å; F786-Y791 AromaticContact CD1-CE1 3.89Å; F786-Y791 HydrophobicContact CD1-CE1 3.89Å; F786-Y791 HydrophobicContact CD1-CE2 4.39Å; F786-Y791 AromaticContact CD1-CZ 3.98Å; D788-Y791 HydrophobicContact CB-CD2 3.52Å; D788-Y791 HydrophobicContact CB-CE2 3.63Å; D788-Y791 WeakPolarHBondContact O-CD2 3.41Å; D788-Y791 PolarHBondContact O-N 2.91Å; C789-Y791 VanDerWaalsContact C-N 3.26Å; C789-Y791 PolarHBondContact O-N 2.84Å; Y791-N793 PolarHBondContact O-N 3.48Å; Y791-W797 PolarHBondContact O-NE1 3.13Å |
| 792 | S | 92.3 | Very high | 91.7 | Very high | 56 Ų | 56 | 33.3 Ų | 33.3 | 39% | 0.392 | 17% | 0.171 | S | C | . | . | G | 310 helix | trans | -66.1 | -18 | 172.2 | 65.5 | 0 | 0 | 0 | 0 | 113.4 | C789 R790 K794 | C789-S792 VanDerWaalsContact O-CB 3.25Å; C789-S792 WeakPolarHBondContact O-CB 3.48Å; C789-S792 PolarHBondContact O-N 3.36Å; C789-S792 VanDerWaalsContact O-N 3.1Å; C789-S792 PolarHBondContact O-OG 3.06Å; R790-S792 PolarHBondContact O-N 3.48Å; S792-K794 PolarHBondContact O-N 3.21Å; S792-K794 VanDerWaalsContact O-N 3.15Å |
| 793 | N | 92.7 | Very high | 91.2 | Very high | 74 Ų | 74 | 34.1 Ų | 34.1 | 40% | 0.396 | 17% | 0.174 | S | C | . | . | trans | -71 | 107.8 | 174.1 | -178.3 | 3.1 | 0 | 0 | 0 | 110.4 | R790 Y791 A795 Y796 | R790-N793 WeakPolarHBondContact O-CB 3.45Å; R790-N793 PolarHBondContact O-N 3.4Å; R790-N793 VanDerWaalsContact O-N 3.16Å; Y791-N793 PolarHBondContact O-N 3.48Å; N793-A795 PolarHBondContact O-N 3.04Å; N793-A795 VanDerWaalsContact O-N 3.07Å; N793-A795 WeakPolarHBondContact OD1-CB 3.41Å; N793-A795 PolarHBondContact OD1-N 3.49Å; N793-Y796 HydrophobicContact CB-CD2 3.74Å; N793-Y796 HydrophobicContact CB-CE2 3.84Å; N793-Y796 HydrophobicContact CB-CG 4.49Å; N793-Y796 WeakPolarHBondContact O-CB 3.47Å; N793-Y796 PolarHBondContact O-N 3.43Å | ||
| 794 | K | 89 | Confident | 90.8 | Very high | 146 Ų | 146 | 34.1 Ų | 34.1 | 64% | 0.635 | 17% | 0.174 | S | C | * | . | G | 310 helix | trans | -57.7 | -22.6 | 179.9 | -63.9 | -172.9 | 177.6 | -174.9 | 0 | 114.1 | S792 Y796 W797 | S792-K794 PolarHBondContact O-N 3.21Å; S792-K794 VanDerWaalsContact O-N 3.15Å; K794-Y796 PolarHBondContact O-N 2.86Å; K794-W797 HydrophobicContact CB-CD2 4.32Å; K794-W797 HydrophobicContact CB-CE3 4.43Å; K794-W797 HydrophobicContact CD-CH2 4.49Å; K794-W797 HydrophobicContact CD-CZ3 4.34Å; K794-W797 HydrophobicContact CG-CD2 4.26Å; K794-W797 HydrophobicContact CG-CE3 4.2Å; K794-W797 HydrophobicContact CG-CH2 4.05Å; K794-W797 HydrophobicContact CG-CZ2 4.09Å; K794-W797 HydrophobicContact CG-CZ3 4.09Å; K794-W797 WeakPolarHBondContact O-CB 3.35Å; K794-W797 PolarHBondContact O-N 3.36Å; K794-W797 VanDerWaalsContact O-N 3.13Å |
| 795 | A | 89.2 | Confident | 90.3 | Very high | 61 Ų | 61 | 37.9 Ų | 37.9 | 50% | 0.504 | 19% | 0.191 | S | C | . | . | G | 310 helix | trans | -60.3 | -30.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | N793 W797 | N793-A795 PolarHBondContact O-N 3.04Å; N793-A795 VanDerWaalsContact O-N 3.07Å; N793-A795 WeakPolarHBondContact OD1-CB 3.41Å; N793-A795 PolarHBondContact OD1-N 3.49Å; A795-W797 VanDerWaalsContact C-N 3.31Å; A795-W797 PolarHBondContact O-N 3.04Å |
| 796 | Y | 89.7 | Confident | 89.9 | Confident | 35 Ų | 35 | 43.2 Ų | 43.2 | 14% | 0.137 | 22% | 0.216 | C | C | . | . | G | 310 helix | trans | -74.2 | -19.2 | 178.5 | -66.8 | -32.6 | 0 | 0 | 0 | 113.8 | M731 F764 R790 N793 K794 K798 K799 | M731-Y796 HydrophobicContact CE-CD2 4.4Å; M731-Y796 HydrophobicContact CE-CE2 4.33Å; F764-Y796 AromaticContact CE2-CD1 3.64Å; F764-Y796 HydrophobicContact CE2-CD1 3.64Å; F764-Y796 HydrophobicContact CE2-CE1 4.25Å; F764-Y796 AromaticContact CE2-CG 3.85Å; F764-Y796 HydrophobicContact CE2-CG 3.85Å; F764-Y796 VanDerWaalsContact CZ-CB 3.42Å; F764-Y796 AromaticContact CZ-CD1 3.87Å; F764-Y796 HydrophobicContact CZ-CD1 3.87Å; F764-Y796 HydrophobicContact CZ-CD2 4.13Å; F764-Y796 AromaticContact CZ-CG 3.55Å; F764-Y796 HydrophobicContact CZ-CG 3.55Å; R790-Y796 VanDerWaalsContact O-CD2 3.32Å; R790-Y796 WeakPolarHBondContact O-CD2 3.12Å; R790-Y796 WeakPolarHBondContact O-CE2 3.08Å; N793-Y796 HydrophobicContact CB-CD2 3.74Å; N793-Y796 HydrophobicContact CB-CE2 3.84Å; N793-Y796 HydrophobicContact CB-CG 4.49Å; N793-Y796 WeakPolarHBondContact O-CB 3.47Å; N793-Y796 PolarHBondContact O-N 3.43Å; K794-Y796 PolarHBondContact O-N 2.86Å; Y796-K798 PolarHBondContact O-N 3.38Å; Y796-K799 WeakPolarHBondContact O-CB 3.3Å; Y796-K799 PolarHBondContact O-N 2.95Å |
| 797 | W | 89.5 | Confident | 89.6 | Confident | 37 Ų | 37 | 44.5 Ų | 44.5 | 14% | 0.14 | 22% | 0.223 | C | C | . | . | G | 310 helix | trans | -67.9 | -29.2 | -175.4 | -60 | -1.4 | 0 | 0 | 0 | 112 | Y791 K794 A795 K799 L800 E805 I808 I810 | Y791-W797 PolarHBondContact O-NE1 3.13Å; K794-W797 HydrophobicContact CB-CD2 4.32Å; K794-W797 HydrophobicContact CB-CE3 4.43Å; K794-W797 HydrophobicContact CD-CH2 4.49Å; K794-W797 HydrophobicContact CD-CZ3 4.34Å; K794-W797 HydrophobicContact CG-CD2 4.26Å; K794-W797 HydrophobicContact CG-CE3 4.2Å; K794-W797 HydrophobicContact CG-CH2 4.05Å; K794-W797 HydrophobicContact CG-CZ2 4.09Å; K794-W797 HydrophobicContact CG-CZ3 4.09Å; K794-W797 WeakPolarHBondContact O-CB 3.35Å; K794-W797 PolarHBondContact O-N 3.36Å; K794-W797 VanDerWaalsContact O-N 3.13Å; A795-W797 VanDerWaalsContact C-N 3.31Å; A795-W797 PolarHBondContact O-N 3.04Å; W797-K799 PolarHBondContact O-N 2.86Å; W797-L800 WeakPolarHBondContact O-CB 3.42Å; W797-L800 PolarHBondContact O-N 3.24Å; W797-L800 VanDerWaalsContact O-N 3.12Å; W797-E805 HydrophobicContact CB-CG 4.23Å; W797-I808 HydrophobicContact CB-CD1 4.15Å; W797-I808 HydrophobicContact CD2-CD1 4Å; W797-I808 HydrophobicContact CD2-CG2 4.46Å; W797-I808 HydrophobicContact CG-CD1 3.82Å; W797-I808 HydrophobicContact CH2-CB 4.47Å; W797-I808 HydrophobicContact CH2-CG2 4.09Å; W797-I808 HydrophobicContact CZ2-CB 4.38Å; W797-I808 HydrophobicContact CZ2-CG2 3.63Å; W797-I810 HydrophobicContact CH2-CD1 4.42Å; W797-I810 HydrophobicContact CZ2-CD1 3.85Å; W797-I810 HydrophobicContact CZ2-CG1 4.2Å |
| 798 | K | 87.2 | Confident | 89.5 | Confident | 150 Ų | 150 | 45.3 Ų | 45.3 | 65% | 0.652 | 23% | 0.227 | S | C | * | . | G | 310 helix | trans | -67.4 | -15.7 | 172.8 | -62.5 | -175.4 | 177.8 | -174.5 | 0 | 114.1 | Y796 | Y796-K798 PolarHBondContact O-N 3.38Š|
| 799 | K | 89.3 | Confident | 89.4 | Confident | 18 Ų | 18 | 48.1 Ų | 48.1 | 8% | 0.078 | 25% | 0.246 | C | C | . | . | G | 310 helix | trans | -92.3 | -10.2 | 175.6 | -61.9 | -179.7 | -179.9 | -100.7 | 0 | 112.1 | E757 E760 D761 F764 N768 Y796 W797 | E757-K799 PolarHBondContact O-NZ 2.9Å; E760-K799 HydrophobicContact CB-CD 4.25Å; E760-K799 VanDerWaalsContact OE2-CE 3.3Å; E760-K799 WeakPolarHBondContact OE2-CE 3.4Å; E760-K799 IonicContact OE2-NZ 3.99Å; D761-K799 IonicContact OD1-NZ 3.63Å; D761-K799 PolarHBondContact OD1-NZ 3.27Å; F764-K799 HydrophobicContact CB-CB 3.86Å; F764-K799 HydrophobicContact CB-CD 4.49Å; F764-K799 HydrophobicContact CD1-CB 3.92Å; F764-K799 HydrophobicContact CD2-CB 3.97Å; F764-K799 HydrophobicContact CD2-CD 3.52Å; F764-K799 HydrophobicContact CD2-CG 4.39Å; F764-K799 HydrophobicContact CE2-CD 4Å; F764-K799 HydrophobicContact CG-CB 3.61Å; F764-K799 HydrophobicContact CG-CD 4.06Å; F764-K799 HydrophobicContact CG-CG 4.49Å; N768-K799 PolarHBondContact ND2-O 3.47Å; Y796-K799 WeakPolarHBondContact O-CB 3.3Å; Y796-K799 PolarHBondContact O-N 2.95Å; W797-K799 PolarHBondContact O-N 2.86Å |
| 800 | L | 88.7 | Confident | 89.4 | Confident | 6 Ų | 6 | 51.2 Ų | 51.2 | 3% | 0.031 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -85.2 | 161.2 | 171.5 | -65.7 | 172.3 | 0 | 0 | 0 | 109.4 | F764 I767 N768 F786 W797 S802 I808 | F764-L800 HydrophobicContact CD1-CD2 3.89Å; F764-L800 HydrophobicContact CD1-CG 4.28Å; F764-L800 HydrophobicContact CE1-CD2 4.08Å; F764-L800 HydrophobicContact CE1-CG 4.26Å; I767-L800 HydrophobicContact CG2-CD2 4.03Å; N768-L800 WeakPolarHBondContact OD1-CD2 3.39Å; F786-L800 HydrophobicContact CE1-CD2 4.17Å; F786-L800 HydrophobicContact CZ-CD1 4.45Å; F786-L800 HydrophobicContact CZ-CD2 4.33Å; W797-L800 WeakPolarHBondContact O-CB 3.42Å; W797-L800 PolarHBondContact O-N 3.24Å; W797-L800 VanDerWaalsContact O-N 3.12Å; L800-S802 PolarHBondContact O-N 3.05Å; L800-I808 HydrophobicContact CD1-CD1 3.65Å |
| 801 | P | 83.8 | Confident | 89.3 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 26% | 0.256 | C | S | . | . | trans | -55 | 138.8 | 175.5 | -25.2 | 33.3 | 0 | 0 | 0 | 111.7 | N768 W803 L804 | N768-P801 HydrophobicContact CB-CG 4.5Å; N768-P801 WeakPolarHBondContact OD1-CD 3.44Å; P801-W803 HydrophobicContact CB-CD2 4.45Å; P801-W803 HydrophobicContact CB-CG 4.29Å; P801-W803 HydrophobicContact CB-CZ2 4.38Å; P801-W803 HydrophobicContact CG-CZ2 4.47Å; P801-W803 PolarHBondContact O-N 2.93Å; P801-W803 VanDerWaalsContact O-N 3.08Å; P801-L804 HydrophobicContact CG-CD1 4.37Å; P801-L804 WeakPolarHBondContact O-CB 3.29Å; P801-L804 PolarHBondContact O-N 3.25Å | ||
| 802 | S | 82.4 | Confident | 89.1 | Confident | 46 Ų | 46 | 53.1 Ų | 53.1 | 32% | 0.322 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -54.3 | -32.1 | -176.9 | 56.4 | 0 | 0 | 0 | 0 | 113.8 | L800 L804 E805 | L800-S802 PolarHBondContact O-N 3.05Å; S802-L804 PolarHBondContact O-N 3.43Å; S802-E805 PolarHBondContact O-N 2.77Å |
| 803 | W | 82.7 | Confident | 89 | Confident | 16 Ų | 16 | 52.7 Ų | 52.7 | 6% | 0.061 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -71.9 | -10.4 | 177.6 | 62.5 | -92.2 | 0 | 0 | 0 | 114.3 | H591 I598 V771 I775 L784 P801 H806 | H591-W803 HydrophobicContact CB-CB 4.39Å; H591-W803 HydrophobicContact CB-CD2 4.33Å; H591-W803 HydrophobicContact CB-CG 4.26Å; I598-W803 HydrophobicContact CD1-CE3 3.65Å; I598-W803 HydrophobicContact CD1-CZ3 3.53Å; I598-W803 HydrophobicContact CG2-CZ3 3.8Å; V771-W803 HydrophobicContact CG1-CH2 4.18Å; V771-W803 HydrophobicContact CG1-CZ2 4.37Å; I775-W803 HydrophobicContact CD1-CH2 4.11Å; I775-W803 HydrophobicContact CD1-CZ3 3.98Å; L784-W803 HydrophobicContact CD1-CH2 4.3Å; P801-W803 HydrophobicContact CB-CD2 4.45Å; P801-W803 HydrophobicContact CB-CG 4.29Å; P801-W803 HydrophobicContact CB-CZ2 4.38Å; P801-W803 HydrophobicContact CG-CZ2 4.47Å; P801-W803 PolarHBondContact O-N 2.93Å; P801-W803 VanDerWaalsContact O-N 3.08Å; W803-H806 PolarHBondContact O-CE1 2.81Å |
| 804 | L | 86.8 | Confident | 89.1 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -98.8 | -28.4 | 174.5 | -73.4 | 175.5 | 0 | 0 | 0 | 113.3 | I598 P600 V771 L784 P801 S802 H806 L807 I808 | I598-L804 HydrophobicContact CG2-CD2 3.85Å; P600-L804 HydrophobicContact CB-CD2 4.14Å; P600-L804 HydrophobicContact CG-CD2 4.02Å; V771-L804 HydrophobicContact CG1-CD1 3.64Å; L784-L804 HydrophobicContact CD1-CD1 3.85Å; L784-L804 HydrophobicContact CD1-CD2 3.59Å; L784-L804 HydrophobicContact CD1-CG 4.4Å; P801-L804 HydrophobicContact CG-CD1 4.37Å; P801-L804 WeakPolarHBondContact O-CB 3.29Å; P801-L804 PolarHBondContact O-N 3.25Å; S802-L804 PolarHBondContact O-N 3.43Å; L804-H806 VanDerWaalsContact C-N 3.26Å; L804-H806 PolarHBondContact O-N 2.77Å; L804-H806 VanDerWaalsContact O-N 3.15Å; L804-L807 PolarHBondContact O-N 3.22Å; L804-I808 WeakPolarHBondContact O-CG1 3.39Å; L804-I808 PolarHBondContact O-N 3.4Å |
| 805 | E | 86.2 | Confident | 89.3 | Confident | 82 Ų | 82 | 46.9 Ų | 46.9 | 38% | 0.383 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -52.8 | -42.7 | -168.6 | -174.3 | 177.3 | 179.2 | 0 | 0 | 112.7 | W797 S802 | W797-E805 HydrophobicContact CB-CG 4.23Å; S802-E805 PolarHBondContact O-N 2.77Å |
| 806 | H | 86.8 | Confident | 89.5 | Confident | 113 Ų | 113 | 48.7 Ų | 48.7 | 52% | 0.523 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | -11.4 | -178.5 | 65 | -70.3 | 0 | 0 | 0 | 114.8 | D595 W803 L804 | D595-H806 IonicContact OD1-NE2 2.71Å; D595-H806 PolarHBondContact OD1-NE2 2.86Å; D595-H806 IonicContact OD2-CD2 3.36Å; D595-H806 IonicContact OD2-NE2 3.48Å; D595-H806 PolarHBondContact OD2-NE2 2.72Å; W803-H806 PolarHBondContact O-CE1 2.81Å; L804-H806 VanDerWaalsContact C-N 3.26Å; L804-H806 PolarHBondContact O-N 2.77Å; L804-H806 VanDerWaalsContact O-N 3.15Å |
| 807 | L | 91.5 | Very high | 89.8 | Confident | 29 Ų | 29 | 47.1 Ų | 47.1 | 15% | 0.152 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.8 | -14.9 | -176.3 | -60.2 | -179.7 | 0 | 0 | 0 | 113.3 | D595 I598 P600 L804 C809 | D595-L807 HydrophobicContact CB-CD1 4.32Å; D595-L807 HydrophobicContact CB-CD2 3.73Å; I598-L807 HydrophobicContact CB-CD1 4.13Å; I598-L807 HydrophobicContact CG2-CD1 4.39Å; P600-L807 VanDerWaalsContact CG-C 3.5Å; P600-L807 HydrophobicContact CG-CB 3.57Å; P600-L807 WeakPolarHBondContact CG-O 3.46Å; L804-L807 PolarHBondContact O-N 3.22Å; L807-C809 PolarHBondContact O-N 2.87Å; L807-C809 PolarHBondContact O-SG 2.78Å |
| 808 | I | 93.4 | Very high | 90 | Very high | 17 Ų | 17 | 45.7 Ų | 45.7 | 9% | 0.087 | 25% | 0.254 | C | S | . | . | trans | -60 | 119.9 | -174.3 | -68.5 | 161.2 | 0 | 0 | 0 | 111.1 | P600 V602 W797 L800 L804 | P600-I808 HydrophobicContact CB-CG1 4.3Å; P600-I808 HydrophobicContact CG-CG1 4.35Å; V602-I808 HydrophobicContact CG2-CG2 3.76Å; W797-I808 HydrophobicContact CB-CD1 4.15Å; W797-I808 HydrophobicContact CD2-CD1 4Å; W797-I808 HydrophobicContact CD2-CG2 4.46Å; W797-I808 HydrophobicContact CG-CD1 3.82Å; W797-I808 HydrophobicContact CH2-CB 4.47Å; W797-I808 HydrophobicContact CH2-CG2 4.09Å; W797-I808 HydrophobicContact CZ2-CB 4.38Å; W797-I808 HydrophobicContact CZ2-CG2 3.63Å; L800-I808 HydrophobicContact CD1-CD1 3.65Å; L804-I808 WeakPolarHBondContact O-CG1 3.39Å; L804-I808 PolarHBondContact O-N 3.4Å | ||
| 809 | C | 92.8 | Very high | 90.4 | Very high | 59 Ų | 59 | 42.1 Ų | 42.1 | 40% | 0.399 | 25% | 0.245 | S | C | . | . | B | Isolated β-bridge | trans | -107.4 | 135 | 174.5 | -63 | 0 | 0 | 0 | 0 | 110.4 | P600 L601 V602 L807 P811 | P600-C809 PolarHBondContact O-N 3.4Å; L601-C809 WeakPolarHBondContact CA-O 3.4Å; L601-C809 HydrophobicContact CD2-CB 3.87Å; V602-C809 PolarHBondContact N-O 3.17Å; L807-C809 PolarHBondContact O-N 2.87Å; L807-C809 PolarHBondContact O-SG 2.78Å; C809-P811 WeakPolarHBondContact O-CD 3.45Å |
| 810 | I | 93.9 | Very high | 90.7 | Very high | 73 Ų | 73 | 42.7 Ų | 42.7 | 37% | 0.374 | 25% | 0.253 | S | S | . | . | trans | -111.1 | 98.1 | 169.1 | -51.1 | 173.5 | 0 | 0 | 0 | 108.2 | V602 T604 W797 | V602-I810 HydrophobicContact CB-CG1 4.07Å; V602-I810 HydrophobicContact CG1-CG1 4.42Å; T604-I810 HydrophobicContact CG2-CG2 3.94Å; W797-I810 HydrophobicContact CH2-CD1 4.42Å; W797-I810 HydrophobicContact CZ2-CD1 3.85Å; W797-I810 HydrophobicContact CZ2-CG1 4.2Å | ||
| 811 | P | 93.1 | Very high | 91.1 | Very high | 16 Ų | 16 | 42.4 Ų | 42.4 | 10% | 0.104 | 25% | 0.252 | C | S | . | . | trans | -64.6 | 144.6 | 172.7 | -21 | 34.9 | 0 | 0 | 0 | 111.3 | L601 V602 C809 S813 E816 A817 | L601-P811 HydrophobicContact CD2-CG 4.07Å; V602-P811 WeakPolarHBondContact O-CD 2.94Å; C809-P811 WeakPolarHBondContact O-CD 3.45Å; P811-S813 VanDerWaalsContact C-N 3.27Å; P811-S813 PolarHBondContact O-N 3.36Å; P811-E816 HydrophobicContact CB-CB 3.88Å; P811-A817 HydrophobicContact CB-CB 3.99Å; P811-A817 HydrophobicContact CG-CB 3.76Å | ||
| 812 | A | 89.7 | Confident | 91.6 | Very high | 81 Ų | 81 | 45.8 Ų | 45.8 | 67% | 0.669 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -72.5 | -24.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | E816 | A812-E816 WeakPolarHBondContact CB-OE2 3.27Å; A812-E816 PolarHBondContact N-OE2 3.26Å |
| 813 | S | 91.4 | Very high | 92.2 | Very high | 47 Ų | 47 | 48.6 Ų | 48.6 | 33% | 0.329 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -140.6 | 159.6 | 177.4 | 71.1 | 0 | 0 | 0 | 0 | 112.3 | P811 S815 E816 A817 | P811-S813 VanDerWaalsContact C-N 3.27Å; P811-S813 PolarHBondContact O-N 3.36Å; S813-S815 PolarHBondContact O-N 2.81Å; S813-E816 PolarHBondContact O-N 2.72Å; S813-E816 VanDerWaalsContact O-N 3.16Å; S813-E816 PolarHBondContact OG-N 2.98Å; S813-A817 PolarHBondContact O-N 2.95Å; S813-A817 VanDerWaalsContact O-N 3.12Å |
| 814 | F | 93 | Very high | 92.8 | Very high | 17 Ų | 17 | 48.8 Ų | 48.8 | 8% | 0.075 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -60.3 | -30.1 | 173.1 | -178 | -114.2 | 0 | 0 | 0 | 112.7 | I603 P607 L631 R634 A817 C818 | I603-F814 HydrophobicContact CD1-CD2 4.14Å; I603-F814 HydrophobicContact CD1-CE2 4.1Å; I603-F814 HydrophobicContact CG2-CD2 4.23Å; P607-F814 HydrophobicContact CB-CD1 3.59Å; P607-F814 HydrophobicContact CB-CE1 3.85Å; P607-F814 HydrophobicContact CB-CG 4.43Å; P607-F814 HydrophobicContact CG-CD1 4.27Å; P607-F814 HydrophobicContact CG-CE1 4.27Å; L631-F814 HydrophobicContact CB-CE2 4.29Å; L631-F814 HydrophobicContact CB-CZ 4.16Å; L631-F814 HydrophobicContact CD1-CD2 3.9Å; L631-F814 HydrophobicContact CD1-CE2 3.56Å; L631-F814 HydrophobicContact CD1-CZ 4.27Å; L631-F814 HydrophobicContact CG-CD2 4.32Å; L631-F814 HydrophobicContact CG-CE2 3.5Å; L631-F814 HydrophobicContact CG-CZ 3.77Å; R634-F814 HydrophobicContact CB-CE1 3.88Å; R634-F814 HydrophobicContact CB-CZ 3.89Å; R634-F814 HydrophobicContact CG-CE1 3.8Å; R634-F814 HydrophobicContact CG-CZ 3.99Å; F814-A817 WeakPolarHBondContact O-CB 3.4Å; F814-A817 PolarHBondContact O-N 3.17Å; F814-C818 VanDerWaalsContact CE1-SG 3.57Å; F814-C818 VanDerWaalsContact CZ-SG 3.56Å; F814-C818 PolarHBondContact O-N 3.4Å; F814-C818 PolarHBondContact O-SG 2.97Å |
| 815 | S | 93.3 | Very high | 93.1 | Very high | 82 Ų | 82 | 49 Ų | 49 | 57% | 0.573 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -65.2 | -42.5 | 175.8 | -169.9 | 0 | 0 | 0 | 0 | 111.6 | S813 A817 C818 T819 | S813-S815 PolarHBondContact O-N 2.81Å; S815-A817 VanDerWaalsContact C-N 3.34Å; S815-C818 WeakPolarHBondContact O-CB 3.36Å; S815-C818 PolarHBondContact O-N 3.31Å; S815-T819 PolarHBondContact O-N 2.88Å; S815-T819 PolarHBondContact O-OG1 3.35Å |
| 816 | E | 94.7 | Very high | 93.4 | Very high | 99 Ų | 99 | 47.1 Ų | 47.1 | 46% | 0.463 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -64.4 | -39.6 | 174.9 | -72.8 | 173.5 | -166.2 | 0 | 0 | 111.7 | P811 A812 S813 C818 T819 A820 | P811-E816 HydrophobicContact CB-CB 3.88Å; A812-E816 WeakPolarHBondContact CB-OE2 3.27Å; A812-E816 PolarHBondContact N-OE2 3.26Å; S813-E816 PolarHBondContact O-N 2.72Å; S813-E816 VanDerWaalsContact O-N 3.16Å; S813-E816 PolarHBondContact OG-N 2.98Å; E816-C818 VanDerWaalsContact C-N 3.31Å; E816-C818 PolarHBondContact O-N 2.57Å; E816-T819 PolarHBondContact O-N 2.87Å; E816-A820 PolarHBondContact O-N 2.64Å |
| 817 | A | 94.8 | Very high | 93.5 | Very high | 1 Ų | 1 | 44.4 Ų | 44.4 | 1% | 0.008 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -58.7 | -43.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | L601 I603 P811 S813 F814 S815 A820 L821 | L601-A817 HydrophobicContact CD1-CB 4.4Å; I603-A817 HydrophobicContact CD1-CB 4.17Å; I603-A817 HydrophobicContact CG1-CB 4.18Å; P811-A817 HydrophobicContact CB-CB 3.99Å; P811-A817 HydrophobicContact CG-CB 3.76Å; S813-A817 PolarHBondContact O-N 2.95Å; S813-A817 VanDerWaalsContact O-N 3.12Å; F814-A817 WeakPolarHBondContact O-CB 3.4Å; F814-A817 PolarHBondContact O-N 3.17Å; S815-A817 VanDerWaalsContact C-N 3.34Å; A817-A820 PolarHBondContact O-N 3.01Å; A817-L821 WeakPolarHBondContact O-CG 3.4Å; A817-L821 PolarHBondContact O-N 3.03Å |
| 818 | C | 95.1 | Very high | 93.3 | Very high | 8 Ų | 8 | 45.2 Ų | 45.2 | 5% | 0.054 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -61.8 | -44.5 | 174.9 | -68.8 | 0 | 0 | 0 | 0 | 112 | I638 F814 S815 E816 A820 L821 V822 | I638-C818 HydrophobicContact CD1-CB 3.7Å; F814-C818 VanDerWaalsContact CE1-SG 3.57Å; F814-C818 VanDerWaalsContact CZ-SG 3.56Å; F814-C818 PolarHBondContact O-N 3.4Å; F814-C818 PolarHBondContact O-SG 2.97Å; S815-C818 WeakPolarHBondContact O-CB 3.36Å; S815-C818 PolarHBondContact O-N 3.31Å; E816-C818 VanDerWaalsContact C-N 3.31Å; E816-C818 PolarHBondContact O-N 2.57Å; C818-A820 VanDerWaalsContact C-N 3.33Å; C818-A820 PolarHBondContact O-N 3.01Å; C818-L821 PolarHBondContact O-N 2.66Å; C818-V822 VanDerWaalsContact O-CG2 3.3Å; C818-V822 WeakPolarHBondContact O-CG2 3.5Å; C818-V822 PolarHBondContact O-N 2.99Å |
| 819 | T | 95.6 | Very high | 92.5 | Very high | 74 Ų | 74 | 49.9 Ų | 49.9 | 45% | 0.454 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -61.4 | -42.1 | 177.6 | -61.7 | 0 | 0 | 0 | 0 | 111.6 | S815 E816 V822 N823 | S815-T819 PolarHBondContact O-N 2.88Å; S815-T819 PolarHBondContact O-OG1 3.35Å; E816-T819 PolarHBondContact O-N 2.87Å; T819-V822 PolarHBondContact O-N 3.48Å; T819-N823 WeakPolarHBondContact O-CB 3.34Å; T819-N823 PolarHBondContact O-N 3.21Å; T819-N823 PolarHBondContact O-ND2 3.35Å |
| 820 | A | 95.7 | Very high | 90.6 | Very high | 31 Ų | 31 | 55.7 Ų | 55.7 | 26% | 0.256 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -60.7 | -45.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | L599 L601 E816 A817 C818 N823 F824 | L599-A820 HydrophobicContact CD2-CB 4.3Å; L601-A820 HydrophobicContact CD1-CB 4.49Å; L601-A820 HydrophobicContact CD2-CB 4.34Å; E816-A820 PolarHBondContact O-N 2.64Å; A817-A820 PolarHBondContact O-N 3.01Å; C818-A820 VanDerWaalsContact C-N 3.33Å; C818-A820 PolarHBondContact O-N 3.01Å; A820-N823 PolarHBondContact O-N 3.37Å; A820-F824 VanDerWaalsContact O-CB 3.31Å; A820-F824 WeakPolarHBondContact O-CB 3.28Å; A820-F824 PolarHBondContact O-N 3.24Å |
| 821 | L | 95.8 | Very high | 88 | Confident | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -62.7 | -45.4 | 176.6 | -70.6 | 169.3 | 0 | 0 | 0 | 112.3 | L599 L601 L635 I638 S783 A817 C818 N823 F824 Y825 | L599-L821 HydrophobicContact CD2-CD2 4.08Å; L601-L821 HydrophobicContact CD1-CD1 4.19Å; L601-L821 HydrophobicContact CD1-CD2 3.74Å; L601-L821 HydrophobicContact CD1-CG 3.61Å; L635-L821 HydrophobicContact CD2-CD1 3.35Å; I638-L821 HydrophobicContact CG2-CB 3.77Å; S783-L821 WeakPolarHBondContact OG-CD2 3.48Å; A817-L821 WeakPolarHBondContact O-CG 3.4Å; A817-L821 PolarHBondContact O-N 3.03Å; C818-L821 PolarHBondContact O-N 2.66Å; L821-N823 VanDerWaalsContact C-N 3.34Å; L821-N823 PolarHBondContact O-N 3.47Å; L821-F824 PolarHBondContact O-N 2.84Å; L821-Y825 HydrophobicContact CB-CE2 4.4Å; L821-Y825 HydrophobicContact CD2-CE2 4.11Å; L821-Y825 WeakPolarHBondContact O-CD2 3.31Å; L821-Y825 PolarHBondContact O-N 3.25Å |
| 822 | V | 95.3 | Very high | 87.8 | Confident | 71 Ų | 71 | 65.1 Ų | 65.1 | 43% | 0.43 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -59.4 | -47.3 | 177.3 | 170.2 | 0 | 0 | 0 | 0 | 110.4 | I638 C818 T819 F824 A826 | I638-V822 HydrophobicContact CB-CG2 4.48Å; I638-V822 HydrophobicContact CD1-CG2 4.22Å; I638-V822 HydrophobicContact CG1-CG2 4.05Å; I638-V822 HydrophobicContact CG2-CG2 3.68Å; C818-V822 VanDerWaalsContact O-CG2 3.3Å; C818-V822 WeakPolarHBondContact O-CG2 3.5Å; C818-V822 PolarHBondContact O-N 2.99Å; T819-V822 PolarHBondContact O-N 3.48Å; V822-F824 PolarHBondContact O-N 3.49Å; V822-A826 WeakPolarHBondContact O-CB 3.37Å; V822-A826 PolarHBondContact O-N 3.39Å |
| 823 | N | 94.5 | Very high | 87.6 | Confident | 104 Ų | 104 | 64.3 Ų | 64.3 | 56% | 0.556 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -62.9 | -42.1 | 179 | -70.9 | -16.5 | 0 | 0 | 0 | 112.1 | T819 A820 L821 A827 | T819-N823 WeakPolarHBondContact O-CB 3.34Å; T819-N823 PolarHBondContact O-N 3.21Å; T819-N823 PolarHBondContact O-ND2 3.35Å; A820-N823 PolarHBondContact O-N 3.37Å; L821-N823 VanDerWaalsContact C-N 3.34Å; L821-N823 PolarHBondContact O-N 3.47Å; N823-A827 PolarHBondContact O-N 3.15Å |
| 824 | F | 95 | Very high | 87.4 | Confident | 20 Ų | 20 | 65.2 Ų | 65.2 | 9% | 0.088 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -60.4 | -54.8 | 177.5 | 173.6 | -102 | 0 | 0 | 0 | 111.7 | S596 S597 L599 F781 A820 L821 V822 A826 A827 F828 | S596-F824 WeakPolarHBondContact O-CE2 3.33Å; S597-F824 WeakPolarHBondContact O-CZ 3.1Å; L599-F824 HydrophobicContact CB-CB 4.5Å; L599-F824 HydrophobicContact CB-CD1 4.24Å; L599-F824 HydrophobicContact CB-CD2 3.67Å; L599-F824 HydrophobicContact CB-CE1 4.38Å; L599-F824 HydrophobicContact CB-CE2 3.81Å; L599-F824 HydrophobicContact CB-CG 3.89Å; L599-F824 HydrophobicContact CB-CZ 4.17Å; L599-F824 HydrophobicContact CD2-CB 3.55Å; L599-F824 HydrophobicContact CD2-CD1 4.36Å; L599-F824 HydrophobicContact CD2-CD2 4.29Å; L599-F824 HydrophobicContact CD2-CG 3.83Å; L599-F824 HydrophobicContact CG-CG 4.49Å; F781-F824 HydrophobicContact CB-CZ 4.25Å; F781-F824 HydrophobicContact CD2-CE1 4.13Å; F781-F824 HydrophobicContact CD2-CZ 4.27Å; A820-F824 VanDerWaalsContact O-CB 3.31Å; A820-F824 WeakPolarHBondContact O-CB 3.28Å; A820-F824 PolarHBondContact O-N 3.24Å; L821-F824 PolarHBondContact O-N 2.84Å; V822-F824 PolarHBondContact O-N 3.49Å; F824-A826 VanDerWaalsContact C-N 3.34Å; F824-A826 PolarHBondContact O-N 2.8Å; F824-A827 WeakPolarHBondContact O-CB 3.41Å; F824-A827 PolarHBondContact O-N 2.62Å; F824-F828 HydrophobicContact CD2-CE2 4.06Å; F824-F828 HydrophobicContact CE1-CE2 4.43Å; F824-F828 AromaticContact CE2-CE2 3.7Å; F824-F828 HydrophobicContact CE2-CE2 3.7Å; F824-F828 HydrophobicContact CE2-CZ 4.48Å; F824-F828 HydrophobicContact CZ-CD2 4.49Å; F824-F828 AromaticContact CZ-CE2 3.9Å; F824-F828 HydrophobicContact CZ-CE2 3.9Å; F824-F828 VanDerWaalsContact O-CD2 3.24Å; F824-F828 WeakPolarHBondContact O-CD2 3.5Å |
| 825 | Y | 93.8 | Very high | 87.1 | Confident | 5 Ų | 5 | 68.1 Ų | 68.1 | 2% | 0.02 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -69.4 | -30.7 | -179.7 | -66.4 | -60.4 | 0 | 0 | 0 | 113.2 | I638 V639 P640 R724 F781 S783 L821 A827 F828 N829 | I638-Y825 HydrophobicContact CG2-CD2 4.34Å; V639-Y825 HydrophobicContact CB-CE2 4.2Å; V639-Y825 HydrophobicContact CG1-CE2 4.25Å; V639-Y825 HydrophobicContact CG2-CE2 3.81Å; P640-Y825 VanDerWaalsContact CD-CD1 3.46Å; P640-Y825 VanDerWaalsContact CD-CG 3.45Å; P640-Y825 HydrophobicContact CG-CD1 3.61Å; P640-Y825 HydrophobicContact CG-CE1 4.03Å; P640-Y825 HydrophobicContact CG-CG 3.97Å; R724-Y825 HydrophobicContact CB-CE1 4.2Å; R724-Y825 PolarHBondContact O-OH 3.44Å; F781-Y825 HydrophobicContact CD2-CD1 4.42Å; F781-Y825 HydrophobicContact CD2-CE1 4.39Å; F781-Y825 AromaticContact CE2-CD1 3.97Å; F781-Y825 HydrophobicContact CE2-CD1 3.97Å; F781-Y825 HydrophobicContact CE2-CE1 4.16Å; S783-Y825 WeakPolarHBondContact CB-OH 3.26Å; S783-Y825 PolarHBondContact OG-OH 3.5Å; L821-Y825 HydrophobicContact CB-CE2 4.4Å; L821-Y825 HydrophobicContact CD2-CE2 4.11Å; L821-Y825 WeakPolarHBondContact O-CD2 3.31Å; L821-Y825 PolarHBondContact O-N 3.25Å; Y825-A827 PolarHBondContact O-N 3.41Å; Y825-F828 PolarHBondContact O-N 3.27Å; Y825-F828 VanDerWaalsContact O-N 3.1Å; Y825-N829 PolarHBondContact O-N 3.24Å |
| 826 | A | 91.5 | Very high | 86.7 | Confident | 43 Ų | 43 | 67.2 Ų | 67.2 | 36% | 0.355 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -62.8 | -28.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | V822 F824 F828 | V822-A826 WeakPolarHBondContact O-CB 3.37Å; V822-A826 PolarHBondContact O-N 3.39Å; F824-A826 VanDerWaalsContact C-N 3.34Å; F824-A826 PolarHBondContact O-N 2.8Å; A826-F828 VanDerWaalsContact C-N 3.3Å |
| 827 | A | 89.3 | Confident | 86.2 | Confident | 55 Ų | 55 | 65.1 Ų | 65.1 | 46% | 0.455 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -67 | -31.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | N823 F824 Y825 | N823-A827 PolarHBondContact O-N 3.15Å; F824-A827 WeakPolarHBondContact O-CB 3.41Å; F824-A827 PolarHBondContact O-N 2.62Å; Y825-A827 PolarHBondContact O-N 3.41Å |
| 828 | F | 87.2 | Confident | 85.6 | Confident | 47 Ų | 47 | 69.6 Ų | 69.6 | 21% | 0.206 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -90.1 | -26.8 | 179.9 | -65.8 | -77.5 | 0 | 0 | 0 | 113.7 | F781 F824 Y825 A826 K830 H831 | F781-F828 HydrophobicContact CB-CD1 4.28Å; F781-F828 HydrophobicContact CB-CD2 4.37Å; F781-F828 HydrophobicContact CB-CE1 3.91Å; F781-F828 HydrophobicContact CB-CE2 4.03Å; F781-F828 HydrophobicContact CB-CZ 3.81Å; F781-F828 HydrophobicContact CD1-CB 4.37Å; F781-F828 AromaticContact CD1-CD1 3.56Å; F781-F828 HydrophobicContact CD1-CD1 3.56Å; F781-F828 HydrophobicContact CD1-CD2 4.43Å; F781-F828 AromaticContact CD1-CE1 3.96Å; F781-F828 HydrophobicContact CD1-CE1 3.96Å; F781-F828 AromaticContact CD1-CG 3.85Å; F781-F828 HydrophobicContact CD1-CG 3.85Å; F781-F828 HydrophobicContact CD2-CB 4.32Å; F781-F828 HydrophobicContact CD2-CD1 4.29Å; F781-F828 AromaticContact CD2-CD2 3.68Å; F781-F828 HydrophobicContact CD2-CD2 3.68Å; F781-F828 HydrophobicContact CD2-CE2 4.12Å; F781-F828 AromaticContact CD2-CG 3.81Å; F781-F828 HydrophobicContact CD2-CG 3.81Å; F781-F828 HydrophobicContact CE1-CB 3.93Å; F781-F828 AromaticContact CE1-CD1 3.89Å; F781-F828 HydrophobicContact CE1-CD1 3.89Å; F781-F828 AromaticContact CE1-CG 3.93Å; F781-F828 HydrophobicContact CE1-CG 3.93Å; F781-F828 HydrophobicContact CE2-CB 3.89Å; F781-F828 HydrophobicContact CE2-CD2 4.05Å; F781-F828 AromaticContact CE2-CG 3.91Å; F781-F828 HydrophobicContact CE2-CG 3.91Å; F781-F828 AromaticContact CG-CD1 3.78Å; F781-F828 HydrophobicContact CG-CD1 3.78Å; F781-F828 AromaticContact CG-CD2 3.91Å; F781-F828 HydrophobicContact CG-CD2 3.91Å; F781-F828 AromaticContact CG-CE1 3.93Å; F781-F828 HydrophobicContact CG-CE1 3.93Å; F781-F828 HydrophobicContact CG-CE2 4.08Å; F781-F828 AromaticContact CG-CG 3.79Å; F781-F828 HydrophobicContact CG-CG 3.79Å; F781-F828 HydrophobicContact CG-CZ 4.11Å; F781-F828 HydrophobicContact CZ-CB 3.68Å; F781-F828 HydrophobicContact CZ-CD1 4.4Å; F781-F828 AromaticContact CZ-CG 3.96Å; F781-F828 HydrophobicContact CZ-CG 3.96Å; F824-F828 HydrophobicContact CD2-CE2 4.06Å; F824-F828 HydrophobicContact CE1-CE2 4.43Å; F824-F828 AromaticContact CE2-CE2 3.7Å; F824-F828 HydrophobicContact CE2-CE2 3.7Å; F824-F828 HydrophobicContact CE2-CZ 4.48Å; F824-F828 HydrophobicContact CZ-CD2 4.49Å; F824-F828 AromaticContact CZ-CE2 3.9Å; F824-F828 HydrophobicContact CZ-CE2 3.9Å; F824-F828 VanDerWaalsContact O-CD2 3.24Å; F824-F828 WeakPolarHBondContact O-CD2 3.5Å; Y825-F828 PolarHBondContact O-N 3.27Å; Y825-F828 VanDerWaalsContact O-N 3.1Å; A826-F828 VanDerWaalsContact C-N 3.3Å; F828-K830 PolarHBondContact O-N 3.37Å; F828-H831 PolarHBondContact O-N 3.45Å |
| 829 | N | 76.2 | Confident | 84.8 | Confident | 115 Ų | 115 | 74.4 Ų | 74.4 | 62% | 0.615 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.7 | -10.9 | 175.2 | -74.9 | -14.6 | 0 | 0 | 0 | 114.1 | Y825 H831 | Y825-N829 PolarHBondContact O-N 3.24Å; N829-H831 VanDerWaalsContact C-N 3.26Å |
| 830 | K | 54.1 | Low | 83.9 | Confident | 181 Ų | 181 | 74.4 Ų | 74.4 | 79% | 0.787 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.4 | -7.9 | 175.8 | -78.5 | -177.6 | 179.7 | 179.4 | 0 | 113.4 | F828 | F828-K830 PolarHBondContact O-N 3.37Š|
| 831 | H | 39 | Very low | 82.9 | Confident | 221 Ų | 221 | 78.4 Ų | 78.4 | 100% | 1.023 | 41% | 0.412 | S | S | * | . | trans | -114.6 | 0 | 176.1 | -69.6 | -59 | 0 | 0 | 0 | 109.7 | F828 N829 | F828-H831 PolarHBondContact O-N 3.45Å; N829-H831 VanDerWaalsContact C-N 3.26Å |
Retrieved 831 of 831 residues in 1597.1 ms
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