| 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 | 43 | Very low | 50.6 | Low | 184 Ų | 184 | 125.5 Ų | 125.5 | 91% | 0.906 | 59% | 0.588 | S | S | * | * | 0 | -84.7 | 0 | -81.9 | -165.8 | -73.9 | 0 | 0 | 112.6 | E3 E4 E5 | M1-E3 PolarHBondContact O-N 3.36Å; M1-E4 WeakPolarHBondContact CA-OE2 3.48Å; M1-E4 PolarHBondContact N-OE2 3.12Å; M1-E4 CarbonylContact O-C 3.59Å; M1-E4 WeakPolarHBondContact O-CA 3.37Å; M1-E4 WeakPolarHBondContact O-CB 3.38Å; M1-E4 PolarHBondContact O-N 3.06Å; M1-E5 PolarHBondContact O-N 2.79Å | |||
| 2 | E | 40 | Very low | 51.6 | Low | 169 Ų | 169 | 123.3 Ų | 123.3 | 79% | 0.79 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -61.5 | -38.8 | -168.8 | -65.5 | -168.5 | 147.6 | 0 | 0 | 114.4 | E5 H6 | E2-E5 PolarHBondContact O-N 2.97Å; E2-H6 WeakPolarHBondContact O-CB 3.44Å; E2-H6 PolarHBondContact O-N 2.87Å |
| 3 | E | 38.3 | Very low | 52.1 | Low | 167 Ų | 167 | 121.3 Ų | 121.3 | 78% | 0.78 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -69.1 | -31.4 | 173.3 | -68.6 | -161.1 | 120 | 0 | 0 | 113.4 | M1 T7 | M1-E3 PolarHBondContact O-N 3.36Å; E3-T7 VanDerWaalsContact O-CB 3.23Å; E3-T7 WeakPolarHBondContact O-CB 3.4Å; E3-T7 PolarHBondContact O-N 3.24Å; E3-T7 PolarHBondContact O-OG1 3.34Å |
| 4 | E | 40.9 | Very low | 52.9 | Low | 138 Ų | 138 | 116.6 Ų | 116.6 | 65% | 0.645 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -69.5 | -42.9 | 172.6 | -69.1 | 165.8 | 106.6 | 0 | 0 | 110.6 | M1 H6 T7 D8 | M1-E4 WeakPolarHBondContact CA-OE2 3.48Å; M1-E4 PolarHBondContact N-OE2 3.12Å; M1-E4 CarbonylContact O-C 3.59Å; M1-E4 WeakPolarHBondContact O-CA 3.37Å; M1-E4 WeakPolarHBondContact O-CB 3.38Å; M1-E4 PolarHBondContact O-N 3.06Å; E4-H6 VanDerWaalsContact C-N 3.33Å; E4-H6 PolarHBondContact O-N 3.11Å; E4-T7 CarbonylContact O-C 3.58Å; E4-T7 PolarHBondContact O-N 3.02Å; E4-T7 VanDerWaalsContact O-N 3.16Å; E4-D8 PolarHBondContact O-N 2.9Å |
| 5 | E | 45.9 | Very low | 53.4 | Low | 100 Ų | 100 | 117.3 Ų | 117.3 | 47% | 0.467 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -66 | -36.8 | 176 | -165.3 | -174.7 | 155 | 0 | 0 | 111.1 | M1 E2 R9 | M1-E5 PolarHBondContact O-N 2.79Å; E2-E5 PolarHBondContact O-N 2.97Å; E5-R9 VanDerWaalsContact O-CB 3.27Å; E5-R9 WeakPolarHBondContact O-CB 3.36Å; E5-R9 WeakPolarHBondContact O-CG 3.49Å; E5-R9 PolarHBondContact O-N 2.94Å; E5-R9 IonicContact OE1-CZ 3.59Å; E5-R9 IonicContact OE1-NH1 2.96Å; E5-R9 PolarHBondContact OE1-NH1 3.26Å; E5-R9 IonicContact OE1-NH2 3.9Å; E5-R9 PolarHBondContact OE1-NH2 3.35Å |
| 6 | H | 49.2 | Very low | 53.8 | Low | 103 Ų | 103 | 115.4 Ų | 115.4 | 48% | 0.477 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -67.4 | -38.9 | 171.4 | -166.1 | -12.9 | 0 | 0 | 0 | 111.5 | E2 E4 K10 | E2-H6 WeakPolarHBondContact O-CB 3.44Å; E2-H6 PolarHBondContact O-N 2.87Å; E4-H6 VanDerWaalsContact C-N 3.33Å; E4-H6 PolarHBondContact O-N 3.11Å; H6-K10 WeakPolarHBondContact CE1-CE 3.48Å; H6-K10 PolarHBondContact CE1-NZ 2.97Å; H6-K10 WeakPolarHBondContact O-CB 3.27Å; H6-K10 PolarHBondContact O-N 3.32Å |
| 7 | T | 56.9 | Low | 53.9 | Low | 77 Ų | 77 | 118.6 Ų | 118.6 | 47% | 0.472 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -69.1 | -43.6 | 179.1 | -61.3 | 0 | 0 | 0 | 0 | 111.4 | E3 E4 K10 Q11 | E3-T7 VanDerWaalsContact O-CB 3.23Å; E3-T7 WeakPolarHBondContact O-CB 3.4Å; E3-T7 PolarHBondContact O-N 3.24Å; E3-T7 PolarHBondContact O-OG1 3.34Å; E4-T7 CarbonylContact O-C 3.58Å; E4-T7 PolarHBondContact O-N 3.02Å; E4-T7 VanDerWaalsContact O-N 3.16Å; T7-K10 CarbonylContact O-C 3.58Å; T7-K10 WeakPolarHBondContact O-CB 3.31Å; T7-K10 PolarHBondContact O-N 2.66Å; T7-Q11 PolarHBondContact O-N 3.23Å |
| 8 | D | 58.3 | Low | 53.7 | Low | 63 Ų | 63 | 119.2 Ų | 119.2 | 34% | 0.337 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -71.9 | -34.4 | 174.5 | -165.5 | 58.2 | 0 | 0 | 0 | 111.5 | E4 K10 Q11 Q12 R15 | E4-D8 PolarHBondContact O-N 2.9Å; D8-K10 VanDerWaalsContact C-N 3.31Å; D8-K10 PolarHBondContact O-N 3.47Å; D8-Q11 CarbonylContact O-C 3.57Å; D8-Q11 PolarHBondContact O-N 2.68Å; D8-Q12 WeakPolarHBondContact O-CB 3.4Å; D8-Q12 VanDerWaalsContact O-CG 3.26Å; D8-Q12 WeakPolarHBondContact O-CG 3.37Å; D8-Q12 PolarHBondContact O-N 3.26Å; D8-Q12 PolarHBondContact OD2-NE2 3Å; D8-R15 IonicContact OD1-NH2 2.85Å; D8-R15 PolarHBondContact OD1-NH2 3.09Å |
| 9 | R | 59 | Low | 53.5 | Low | 149 Ų | 149 | 122.3 Ų | 122.3 | 56% | 0.562 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -59 | -40.5 | 166.4 | -83.8 | -163 | -179.4 | 93.1 | 15.9 | 112.3 | E5 L13 | E5-R9 VanDerWaalsContact O-CB 3.27Å; E5-R9 WeakPolarHBondContact O-CB 3.36Å; E5-R9 WeakPolarHBondContact O-CG 3.49Å; E5-R9 PolarHBondContact O-N 2.94Å; E5-R9 IonicContact OE1-CZ 3.59Å; E5-R9 IonicContact OE1-NH1 2.96Å; E5-R9 PolarHBondContact OE1-NH1 3.26Å; E5-R9 IonicContact OE1-NH2 3.9Å; E5-R9 PolarHBondContact OE1-NH2 3.35Å; R9-L13 WeakPolarHBondContact O-CB 3.03Å; R9-L13 PolarHBondContact O-N 3.29Å |
| 10 | K | 64.9 | Low | 53.1 | Low | 128 Ų | 128 | 122.9 Ų | 122.9 | 56% | 0.557 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -65.6 | -40.5 | 174.4 | -89.5 | 169.6 | 170.8 | 152.7 | 0 | 111.4 | H6 T7 D8 A14 | H6-K10 WeakPolarHBondContact CE1-CE 3.48Å; H6-K10 PolarHBondContact CE1-NZ 2.97Å; H6-K10 WeakPolarHBondContact O-CB 3.27Å; H6-K10 PolarHBondContact O-N 3.32Å; T7-K10 CarbonylContact O-C 3.58Å; T7-K10 WeakPolarHBondContact O-CB 3.31Å; T7-K10 PolarHBondContact O-N 2.66Å; D8-K10 VanDerWaalsContact C-N 3.31Å; D8-K10 PolarHBondContact O-N 3.47Å; K10-A14 VanDerWaalsContact O-CB 3.29Å; K10-A14 WeakPolarHBondContact O-CB 3.13Å; K10-A14 PolarHBondContact O-N 3.22Å |
| 11 | Q | 59.8 | Low | 52.5 | Low | 102 Ų | 102 | 120.3 Ų | 120.3 | 48% | 0.477 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -67.4 | -43.8 | 173.9 | -70.5 | -159.8 | 22.2 | 0 | 0 | 112.4 | T7 D8 L13 A14 R15 | T7-Q11 PolarHBondContact O-N 3.23Å; D8-Q11 CarbonylContact O-C 3.57Å; D8-Q11 PolarHBondContact O-N 2.68Å; Q11-L13 VanDerWaalsContact C-N 3.33Å; Q11-L13 PolarHBondContact O-N 3.28Å; Q11-A14 PolarHBondContact O-N 3.36Å; Q11-R15 WeakPolarHBondContact O-CB 3.26Å; Q11-R15 WeakPolarHBondContact O-CG 3.25Å; Q11-R15 PolarHBondContact O-N 2.85Å |
| 12 | Q | 63.4 | Low | 52.4 | Low | 99 Ų | 99 | 115.5 Ų | 115.5 | 46% | 0.463 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -60.6 | -42.3 | 174.8 | -72.2 | -178.8 | 25.2 | 0 | 0 | 111.2 | D8 R15 L16 | D8-Q12 WeakPolarHBondContact O-CB 3.4Å; D8-Q12 VanDerWaalsContact O-CG 3.26Å; D8-Q12 WeakPolarHBondContact O-CG 3.37Å; D8-Q12 PolarHBondContact O-N 3.26Å; D8-Q12 PolarHBondContact OD2-NE2 3Å; Q12-R15 PolarHBondContact O-N 2.95Å; Q12-L16 WeakPolarHBondContact O-CB 3.44Å; Q12-L16 PolarHBondContact O-N 3.46Å |
| 13 | L | 57.1 | Low | 52.8 | Low | 98 Ų | 98 | 111.2 Ų | 111.2 | 51% | 0.513 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -67.5 | -38.9 | 175.9 | -170.8 | 63.4 | 0 | 0 | 0 | 111.8 | R9 Q11 L16 Y17 | R9-L13 WeakPolarHBondContact O-CB 3.03Å; R9-L13 PolarHBondContact O-N 3.29Å; Q11-L13 VanDerWaalsContact C-N 3.33Å; Q11-L13 PolarHBondContact O-N 3.28Å; L13-L16 WeakPolarHBondContact O-CB 3.42Å; L13-L16 PolarHBondContact O-N 3.21Å; L13-Y17 HydrophobicContact CD1-CD2 4.15Å; L13-Y17 HydrophobicContact CD1-CE2 4.13Å; L13-Y17 HydrophobicContact CG-CD2 4.12Å; L13-Y17 HydrophobicContact CG-CE2 4.3Å; L13-Y17 WeakPolarHBondContact O-CD2 3.49Å; L13-Y17 PolarHBondContact O-N 3.48Å |
| 14 | A | 64.3 | Low | 52.9 | Low | 56 Ų | 56 | 111.5 Ų | 111.5 | 46% | 0.463 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65.2 | -45.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | K10 Q11 L16 Y17 Q18 | K10-A14 VanDerWaalsContact O-CB 3.29Å; K10-A14 WeakPolarHBondContact O-CB 3.13Å; K10-A14 PolarHBondContact O-N 3.22Å; Q11-A14 PolarHBondContact O-N 3.36Å; A14-L16 VanDerWaalsContact C-N 3.27Å; A14-L16 PolarHBondContact O-N 2.89Å; A14-Y17 PolarHBondContact O-N 3.44Å; A14-Q18 VanDerWaalsContact O-CB 3.31Å; A14-Q18 WeakPolarHBondContact O-CB 3.48Å; A14-Q18 PolarHBondContact O-N 3.02Å |
| 15 | R | 60.6 | Low | 52.7 | Low | 127 Ų | 127 | 112.5 Ų | 112.5 | 48% | 0.479 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -58.8 | -38.9 | 172.1 | -68.4 | 172.4 | -150.4 | 156 | 12.6 | 110.6 | D8 Q11 Q12 R19 | D8-R15 IonicContact OD1-NH2 2.85Å; D8-R15 PolarHBondContact OD1-NH2 3.09Å; Q11-R15 WeakPolarHBondContact O-CB 3.26Å; Q11-R15 WeakPolarHBondContact O-CG 3.25Å; Q11-R15 PolarHBondContact O-N 2.85Å; Q12-R15 PolarHBondContact O-N 2.95Å; R15-R19 WeakPolarHBondContact O-CB 3.37Å; R15-R19 PolarHBondContact O-N 3.05Å |
| 16 | L | 59.5 | Low | 52.4 | Low | 87 Ų | 87 | 114.3 Ų | 114.3 | 46% | 0.455 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65.9 | -46.6 | 173.8 | -99.9 | 162.7 | 0 | 0 | 0 | 112.7 | Q12 L13 A14 Q18 R19 F20 | Q12-L16 WeakPolarHBondContact O-CB 3.44Å; Q12-L16 PolarHBondContact O-N 3.46Å; L13-L16 WeakPolarHBondContact O-CB 3.42Å; L13-L16 PolarHBondContact O-N 3.21Å; A14-L16 VanDerWaalsContact C-N 3.27Å; A14-L16 PolarHBondContact O-N 2.89Å; L16-Q18 VanDerWaalsContact C-N 3.34Å; L16-Q18 PolarHBondContact O-N 3.3Å; L16-R19 CarbonylContact O-C 3.5Å; L16-R19 PolarHBondContact O-N 3.17Å; L16-F20 HydrophobicContact CD2-CD2 4.21Å; L16-F20 HydrophobicContact CD2-CE2 4.04Å; L16-F20 WeakPolarHBondContact O-CB 3.38Å; L16-F20 WeakPolarHBondContact O-CD2 3.34Å; L16-F20 PolarHBondContact O-N 2.86Å |
| 17 | Y | 55.3 | Low | 52.3 | Low | 170 Ų | 170 | 116 Ų | 116 | 67% | 0.667 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -64.7 | -37.7 | 176 | -98.1 | -84.2 | 0 | 0 | 0 | 112.2 | L13 A14 F20 S21 | L13-Y17 HydrophobicContact CD1-CD2 4.15Å; L13-Y17 HydrophobicContact CD1-CE2 4.13Å; L13-Y17 HydrophobicContact CG-CD2 4.12Å; L13-Y17 HydrophobicContact CG-CE2 4.3Å; L13-Y17 WeakPolarHBondContact O-CD2 3.49Å; L13-Y17 PolarHBondContact O-N 3.48Å; A14-Y17 PolarHBondContact O-N 3.44Å; Y17-F20 PolarHBondContact O-N 3.5Å; Y17-S21 VanDerWaalsContact O-CB 3.24Å; Y17-S21 WeakPolarHBondContact O-CB 3.47Å; Y17-S21 PolarHBondContact O-N 3.3Å |
| 18 | Q | 49.6 | Very low | 51.9 | Low | 129 Ų | 129 | 115.3 Ų | 115.3 | 60% | 0.603 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -67.3 | -39.1 | 173.8 | -162.3 | 172.9 | 18.6 | 0 | 0 | 110.9 | A14 L16 S21 N22 | A14-Q18 VanDerWaalsContact O-CB 3.31Å; A14-Q18 WeakPolarHBondContact O-CB 3.48Å; A14-Q18 PolarHBondContact O-N 3.02Å; L16-Q18 VanDerWaalsContact C-N 3.34Å; L16-Q18 PolarHBondContact O-N 3.3Å; Q18-S21 PolarHBondContact O-N 3.22Å; Q18-N22 WeakPolarHBondContact O-CB 3.45Å; Q18-N22 PolarHBondContact O-N 3.15Å; Q18-N22 PolarHBondContact O-OD1 3.36Å |
| 19 | R | 51 | Low | 51.3 | Low | 178 Ų | 178 | 120 Ų | 120 | 67% | 0.672 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -66 | -40.9 | 173 | -163.6 | 174.2 | -167.7 | 170.8 | 3.9 | 112.1 | R15 L16 N22 I23 | R15-R19 WeakPolarHBondContact O-CB 3.37Å; R15-R19 PolarHBondContact O-N 3.05Å; L16-R19 CarbonylContact O-C 3.5Å; L16-R19 PolarHBondContact O-N 3.17Å; R19-N22 PolarHBondContact O-N 3.39Å; R19-I23 HydrophobicContact CG-CD1 4.23Å; R19-I23 WeakPolarHBondContact O-CB 3.5Å; R19-I23 WeakPolarHBondContact O-CD1 3.42Å; R19-I23 WeakPolarHBondContact O-CG1 3.33Å; R19-I23 PolarHBondContact O-N 3.15Å |
| 20 | F | 45.3 | Very low | 51.2 | Low | 134 Ų | 134 | 118 Ų | 118 | 59% | 0.588 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -68.7 | -36.3 | 173.6 | -93.7 | -71.2 | 0 | 0 | 0 | 112.8 | L16 Y17 I23 K24 | L16-F20 HydrophobicContact CD2-CD2 4.21Å; L16-F20 HydrophobicContact CD2-CE2 4.04Å; L16-F20 WeakPolarHBondContact O-CB 3.38Å; L16-F20 WeakPolarHBondContact O-CD2 3.34Å; L16-F20 PolarHBondContact O-N 2.86Å; Y17-F20 PolarHBondContact O-N 3.5Å; F20-I23 PolarHBondContact O-N 2.84Å; F20-K24 WeakPolarHBondContact O-CB 3.22Å; F20-K24 PolarHBondContact O-N 3.4Å |
| 21 | S | 40.8 | Very low | 51.1 | Low | 68 Ų | 68 | 112.6 Ų | 112.6 | 48% | 0.476 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -66.6 | -40.2 | 173.5 | -169.2 | 0 | 0 | 0 | 0 | 111.3 | Y17 Q18 K24 K25 | Y17-S21 VanDerWaalsContact O-CB 3.24Å; Y17-S21 WeakPolarHBondContact O-CB 3.47Å; Y17-S21 PolarHBondContact O-N 3.3Å; Q18-S21 PolarHBondContact O-N 3.22Å; S21-K24 PolarHBondContact O-N 2.93Å; S21-K25 PolarHBondContact O-N 2.93Å |
| 22 | N | 40.8 | Very low | 51.5 | Low | 84 Ų | 84 | 110 Ų | 110 | 45% | 0.449 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.7 | -44.8 | 171.7 | -71.3 | -5.4 | 0 | 0 | 0 | 111.6 | Q18 R19 K24 K25 Y26 | Q18-N22 WeakPolarHBondContact O-CB 3.45Å; Q18-N22 PolarHBondContact O-N 3.15Å; Q18-N22 PolarHBondContact O-OD1 3.36Å; R19-N22 PolarHBondContact O-N 3.39Å; N22-K24 VanDerWaalsContact C-N 3.28Å; N22-K24 PolarHBondContact O-N 3.46Å; N22-K25 CarbonylContact O-C 3.51Å; N22-K25 WeakPolarHBondContact O-CA 3.44Å; N22-K25 WeakPolarHBondContact O-CB 3.22Å; N22-K25 PolarHBondContact O-N 3.15Å; N22-K25 VanDerWaalsContact O-N 3.11Å; N22-Y26 WeakPolarHBondContact O-CD2 3.46Å; N22-Y26 PolarHBondContact O-N 2.81Å |
| 23 | I | 48 | Very low | 51.7 | Low | 78 Ų | 78 | 110.5 Ų | 110.5 | 40% | 0.4 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -59.1 | -40.4 | 173.7 | -71.8 | 162 | 0 | 0 | 0 | 110.8 | R19 F20 Y26 F27 | R19-I23 HydrophobicContact CG-CD1 4.23Å; R19-I23 WeakPolarHBondContact O-CB 3.5Å; R19-I23 WeakPolarHBondContact O-CD1 3.42Å; R19-I23 WeakPolarHBondContact O-CG1 3.33Å; R19-I23 PolarHBondContact O-N 3.15Å; F20-I23 PolarHBondContact O-N 2.84Å; I23-Y26 CarbonylContact O-C 3.42Å; I23-Y26 WeakPolarHBondContact O-CA 3.32Å; I23-Y26 WeakPolarHBondContact O-CB 3.28Å; I23-Y26 PolarHBondContact O-N 3.07Å; I23-F27 HydrophobicContact CG2-CD2 4.41Å; I23-F27 HydrophobicContact CG2-CE2 4.34Å; I23-F27 PolarHBondContact O-N 3.28Å |
| 24 | K | 40.4 | Very low | 52.6 | Low | 173 Ų | 173 | 108.7 Ų | 108.7 | 75% | 0.752 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -67.1 | -36.6 | 175.2 | -166 | 174.5 | -177.9 | -178.3 | 0 | 112.2 | F20 S21 N22 Y26 F27 | F20-K24 WeakPolarHBondContact O-CB 3.22Å; F20-K24 PolarHBondContact O-N 3.4Å; S21-K24 PolarHBondContact O-N 2.93Å; N22-K24 VanDerWaalsContact C-N 3.28Å; N22-K24 PolarHBondContact O-N 3.46Å; K24-Y26 PolarHBondContact O-N 2.82Å; K24-F27 PolarHBondContact O-N 3.41Å |
| 25 | K | 36.1 | Very low | 53.3 | Low | 159 Ų | 159 | 106 Ų | 106 | 69% | 0.691 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -68 | -14.5 | 167.4 | -85 | -169.8 | 168.7 | -169 | 0 | 114.3 | S21 N22 | S21-K25 PolarHBondContact O-N 2.93Å; N22-K25 CarbonylContact O-C 3.51Å; N22-K25 WeakPolarHBondContact O-CA 3.44Å; N22-K25 WeakPolarHBondContact O-CB 3.22Å; N22-K25 PolarHBondContact O-N 3.15Å; N22-K25 VanDerWaalsContact O-N 3.11Å |
| 26 | Y | 40.2 | Very low | 54.4 | Low | 138 Ų | 138 | 102.9 Ų | 102.9 | 54% | 0.541 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -94.6 | -7.9 | 177.4 | -86.1 | -136.6 | 0 | 0 | 0 | 112.6 | N22 I23 K24 R58 | N22-Y26 WeakPolarHBondContact O-CD2 3.46Å; N22-Y26 PolarHBondContact O-N 2.81Å; I23-Y26 CarbonylContact O-C 3.42Å; I23-Y26 WeakPolarHBondContact O-CA 3.32Å; I23-Y26 WeakPolarHBondContact O-CB 3.28Å; I23-Y26 PolarHBondContact O-N 3.07Å; K24-Y26 PolarHBondContact O-N 2.82Å; Y26-R58 PolarHBondContact O-NH2 3.12Å |
| 27 | F | 47.3 | Very low | 55.4 | Low | 139 Ų | 139 | 105.3 Ų | 105.3 | 61% | 0.61 | 49% | 0.493 | S | S | * | . | trans | -92.2 | 79.2 | 162.6 | -84 | -85 | 0 | 0 | 0 | 109.5 | I23 K24 E29 | I23-F27 HydrophobicContact CG2-CD2 4.41Å; I23-F27 HydrophobicContact CG2-CE2 4.34Å; I23-F27 PolarHBondContact O-N 3.28Å; K24-F27 PolarHBondContact O-N 3.41Å; F27-E29 PolarHBondContact O-N 3.44Å | ||
| 28 | N | 47.8 | Very low | 56.8 | Low | 63 Ų | 63 | 98.6 Ų | 98.6 | 34% | 0.337 | 47% | 0.47 | S | S | . | . | trans | -60.8 | 115.7 | 160.8 | -64.5 | -11.5 | 0 | 0 | 0 | 107.9 | D30 D31 | N28-D30 VanDerWaalsContact C-N 3.32Å; N28-D31 HydrophobicContact CB-CB 4.21Å; N28-D31 WeakPolarHBondContact CB-OD2 3.45Å; N28-D31 PolarHBondContact ND2-OD2 2.84Å | ||
| 29 | E | 46.6 | Very low | 58.5 | Low | 161 Ų | 161 | 93 Ų | 93 | 75% | 0.752 | 44% | 0.444 | S | S | * | . | S | Bend | trans | -67.1 | -41.2 | 168.3 | -67.7 | 175.4 | 147.8 | 0 | 0 | 108.4 | F27 D31 T32 | F27-E29 PolarHBondContact O-N 3.44Å; E29-D31 VanDerWaalsContact C-N 3.34Å; E29-D31 PolarHBondContact O-N 2.75Å; E29-D31 VanDerWaalsContact O-N 3.16Å; E29-T32 PolarHBondContact O-N 2.73Å |
| 30 | D | 55.9 | Low | 60 | Low | 108 Ų | 108 | 91 Ų | 91 | 58% | 0.578 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -41.7 | -49.3 | 173.7 | -52.9 | -24 | 0 | 0 | 0 | 114.5 | N28 T32 D33 N34 | N28-D30 VanDerWaalsContact C-N 3.32Å; D30-T32 PolarHBondContact O-N 3.26Å; D30-D33 PolarHBondContact O-N 3.21Å; D30-N34 VanDerWaalsContact O-CB 3.24Å; D30-N34 WeakPolarHBondContact O-CB 2.95Å; D30-N34 PolarHBondContact O-N 2.81Å; D30-N34 PolarHBondContact O-ND2 3.04Å |
| 31 | D | 63.4 | Low | 61.7 | Low | 14 Ų | 14 | 87.5 Ų | 87.5 | 8% | 0.075 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -66.4 | -11.9 | -175.5 | -75 | -47.3 | 0 | 0 | 0 | 113.3 | N28 E29 I35 Y50 L54 K57 | N28-D31 HydrophobicContact CB-CB 4.21Å; N28-D31 WeakPolarHBondContact CB-OD2 3.45Å; N28-D31 PolarHBondContact ND2-OD2 2.84Å; E29-D31 VanDerWaalsContact C-N 3.34Å; E29-D31 PolarHBondContact O-N 2.75Å; E29-D31 VanDerWaalsContact O-N 3.16Å; D31-I35 WeakPolarHBondContact O-CG2 3.42Å; D31-Y50 WeakPolarHBondContact CA-OH 3.33Å; D31-Y50 PolarHBondContact O-OH 3.09Å; D31-Y50 PolarHBondContact OD1-OH 2.73Å; D31-L54 HydrophobicContact CB-CD2 4.45Å; D31-L54 WeakPolarHBondContact OD1-CD2 3.34Å; D31-K57 IonicContact OD1-NZ 2.61Å; D31-K57 PolarHBondContact OD1-NZ 3.33Å; D31-K57 IonicContact OD2-NZ 2.81Å |
| 32 | T | 68.5 | Low | 63.7 | Low | 47 Ų | 47 | 87.9 Ų | 87.9 | 29% | 0.288 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -93.1 | -31.8 | 175.6 | -46.6 | 0 | 0 | 0 | 0 | 112.5 | E29 D30 I35 N36 | E29-T32 PolarHBondContact O-N 2.73Å; D30-T32 PolarHBondContact O-N 3.26Å; T32-I35 WeakPolarHBondContact O-CG2 3.29Å; T32-N36 VanDerWaalsContact O-CG 3.24Å; T32-N36 PolarHBondContact O-ND2 2.9Å |
| 33 | D | 67.9 | Low | 66 | Low | 109 Ų | 109 | 85 Ų | 85 | 58% | 0.583 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -82.9 | -34.9 | 175.5 | -67.2 | -27.8 | 0 | 0 | 0 | 110.9 | D30 I35 N36 Q37 | D30-D33 PolarHBondContact O-N 3.21Å; D33-I35 PolarHBondContact O-N 3.3Å; D33-N36 PolarHBondContact O-N 3.2Å; D33-Q37 PolarHBondContact O-N 2.88Å |
| 34 | N | 74.9 | Confident | 68 | Low | 61 Ų | 61 | 81.6 Ų | 81.6 | 33% | 0.326 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -60 | -44.2 | 173.1 | -71.9 | -30.9 | 0 | 0 | 0 | 112.5 | D30 N36 Q37 V38 Y50 | D30-N34 VanDerWaalsContact O-CB 3.24Å; D30-N34 WeakPolarHBondContact O-CB 2.95Å; D30-N34 PolarHBondContact O-N 2.81Å; D30-N34 PolarHBondContact O-ND2 3.04Å; N34-N36 VanDerWaalsContact C-N 3.3Å; N34-N36 PolarHBondContact O-N 2.63Å; N34-Q37 PolarHBondContact O-N 3.46Å; N34-V38 WeakPolarHBondContact O-CB 3.42Å; N34-V38 WeakPolarHBondContact O-CG2 3.36Å; N34-V38 PolarHBondContact O-N 2.84Å; N34-Y50 HydrophobicContact CB-CE2 3.93Å |
| 35 | I | 80.4 | Confident | 70.4 | Confident | 0 Ų | 0 | 77.4 Ų | 77.4 | 0% | 0 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -64.1 | -35.9 | 177 | -174.5 | 62.8 | 0 | 0 | 0 | 111.8 | D31 T32 D33 V38 I39 Y50 L51 F73 V77 | D31-I35 WeakPolarHBondContact O-CG2 3.42Å; T32-I35 WeakPolarHBondContact O-CG2 3.29Å; D33-I35 PolarHBondContact O-N 3.3Å; I35-V38 PolarHBondContact O-N 3.43Å; I35-I39 HydrophobicContact CD1-CD1 4.36Å; I35-I39 HydrophobicContact CD1-CG1 4.42Å; I35-I39 HydrophobicContact CG1-CD1 3.95Å; I35-I39 HydrophobicContact CG1-CG1 4.44Å; I35-I39 WeakPolarHBondContact O-CB 3.45Å; I35-I39 VanDerWaalsContact O-CG1 3.27Å; I35-I39 WeakPolarHBondContact O-CG1 3.15Å; I35-I39 PolarHBondContact O-N 3.31Å; I35-Y50 HydrophobicContact CB-CD1 4.46Å; I35-Y50 HydrophobicContact CB-CE1 3.78Å; I35-Y50 HydrophobicContact CD1-CD1 3.67Å; I35-Y50 HydrophobicContact CD1-CE1 3.8Å; I35-Y50 HydrophobicContact CG1-CE1 4.33Å; I35-L51 HydrophobicContact CD1-CD2 4.16Å; I35-F73 HydrophobicContact CB-CD1 4.48Å; I35-F73 HydrophobicContact CD1-CB 4.33Å; I35-F73 HydrophobicContact CG1-CB 4.13Å; I35-F73 HydrophobicContact CG1-CD1 4.23Å; I35-F73 HydrophobicContact CG1-CG 4.17Å; I35-F73 HydrophobicContact CG2-CD1 3.93Å; I35-F73 HydrophobicContact CG2-CE1 3.79Å; I35-F73 HydrophobicContact CG2-CZ 4.24Å; I35-V77 HydrophobicContact CD1-CG2 4.32Å |
| 36 | N | 81.7 | Confident | 72.9 | Confident | 60 Ų | 60 | 72.3 Ų | 72.3 | 32% | 0.321 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -66 | -47.2 | 176.5 | -60.6 | -26.6 | 0 | 0 | 0 | 110.2 | T32 D33 N34 V38 I39 D40 | T32-N36 VanDerWaalsContact O-CG 3.24Å; T32-N36 PolarHBondContact O-ND2 2.9Å; D33-N36 PolarHBondContact O-N 3.2Å; N34-N36 VanDerWaalsContact C-N 3.3Å; N34-N36 PolarHBondContact O-N 2.63Å; N36-V38 VanDerWaalsContact C-N 3.27Å; N36-V38 PolarHBondContact O-N 3.45Å; N36-I39 PolarHBondContact O-N 3.23Å; N36-I39 VanDerWaalsContact O-N 3.12Å; N36-D40 VanDerWaalsContact O-CG 3.31Å; N36-D40 PolarHBondContact O-N 3.21Å |
| 37 | Q | 81.6 | Confident | 75.2 | Confident | 138 Ų | 138 | 65.8 Ų | 65.8 | 65% | 0.645 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -59.3 | -36.1 | 176 | -172.8 | -179.1 | 15.8 | 0 | 0 | 112.8 | D33 N34 S41 | D33-Q37 PolarHBondContact O-N 2.88Å; N34-Q37 PolarHBondContact O-N 3.46Å; Q37-S41 PolarHBondContact O-N 3.45Å |
| 38 | V | 84.4 | Confident | 77.3 | Confident | 29 Ų | 29 | 60.4 Ų | 60.4 | 18% | 0.176 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -72.9 | -38 | 175.9 | 170.6 | 0 | 0 | 0 | 0 | 111.4 | N34 I35 N36 S41 C47 Y50 | N34-V38 WeakPolarHBondContact O-CB 3.42Å; N34-V38 WeakPolarHBondContact O-CG2 3.36Å; N34-V38 PolarHBondContact O-N 2.84Å; I35-V38 PolarHBondContact O-N 3.43Å; N36-V38 VanDerWaalsContact C-N 3.27Å; N36-V38 PolarHBondContact O-N 3.45Å; V38-S41 WeakPolarHBondContact O-CB 3.27Å; V38-S41 PolarHBondContact O-N 2.99Å; V38-S41 PolarHBondContact O-OG 3.17Å; V38-C47 HydrophobicContact CG1-CB 4.33Å; V38-Y50 HydrophobicContact CG1-CG 4.47Å; V38-Y50 HydrophobicContact CG2-CD2 4.27Å; V38-Y50 HydrophobicContact CG2-CG 4.09Å |
| 39 | I | 85.3 | Confident | 79.3 | Confident | 11 Ų | 11 | 60.6 Ų | 60.6 | 6% | 0.056 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -63 | -43.1 | 172.6 | -74.3 | 167.6 | 0 | 0 | 0 | 111.1 | I35 N36 S41 N42 R76 V77 N80 | I35-I39 HydrophobicContact CD1-CD1 4.36Å; I35-I39 HydrophobicContact CD1-CG1 4.42Å; I35-I39 HydrophobicContact CG1-CD1 3.95Å; I35-I39 HydrophobicContact CG1-CG1 4.44Å; I35-I39 WeakPolarHBondContact O-CB 3.45Å; I35-I39 VanDerWaalsContact O-CG1 3.27Å; I35-I39 WeakPolarHBondContact O-CG1 3.15Å; I35-I39 PolarHBondContact O-N 3.31Å; N36-I39 PolarHBondContact O-N 3.23Å; N36-I39 VanDerWaalsContact O-N 3.12Å; I39-S41 PolarHBondContact O-N 3.02Å; I39-S41 VanDerWaalsContact O-N 3.09Å; I39-N42 PolarHBondContact O-N 3.26Å; I39-R76 HydrophobicContact CD1-CB 3.72Å; I39-V77 HydrophobicContact CD1-CG2 4.03Å; I39-V77 HydrophobicContact CG1-CG2 3.72Å; I39-N80 HydrophobicContact CG2-CB 3.57Å |
| 40 | D | 83.4 | Confident | 81.3 | Confident | 137 Ų | 137 | 54.7 Ų | 54.7 | 73% | 0.733 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -18.8 | 178.5 | -71.1 | -25.4 | 0 | 0 | 0 | 113.1 | N36 N42 | N36-D40 VanDerWaalsContact O-CG 3.31Å; N36-D40 PolarHBondContact O-N 3.21Å; D40-N42 VanDerWaalsContact C-N 3.29Å; D40-N42 PolarHBondContact O-N 2.9Å |
| 41 | S | 81 | Confident | 82.9 | Confident | 61 Ų | 61 | 49.6 Ų | 49.6 | 43% | 0.427 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71 | -20.6 | 172.5 | 80 | 0 | 0 | 0 | 0 | 114 | Q37 V38 I39 S43 | Q37-S41 PolarHBondContact O-N 3.45Å; V38-S41 WeakPolarHBondContact O-CB 3.27Å; V38-S41 PolarHBondContact O-N 2.99Å; V38-S41 PolarHBondContact O-OG 3.17Å; I39-S41 PolarHBondContact O-N 3.02Å; I39-S41 VanDerWaalsContact O-N 3.09Å; S41-S43 PolarHBondContact O-N 3.34Å; S41-S43 VanDerWaalsContact O-N 3.11Å; S41-S43 PolarHBondContact OG-N 2.83Å |
| 42 | N | 81.9 | Confident | 84 | Confident | 75 Ų | 75 | 51 Ų | 51 | 40% | 0.401 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.8 | 29.4 | -173 | -159.4 | 96.7 | 0 | 0 | 0 | 113.9 | I39 D40 H86 | I39-N42 PolarHBondContact O-N 3.26Å; D40-N42 VanDerWaalsContact C-N 3.29Å; D40-N42 PolarHBondContact O-N 2.9Å; N42-H86 PolarHBondContact ND2-CE1 3.28Å; N42-H86 PolarHBondContact ND2-NE2 3.2Å |
| 43 | S | 89.1 | Confident | 84.7 | Confident | 25 Ų | 25 | 52.6 Ų | 52.6 | 18% | 0.175 | 29% | 0.29 | C | S | . | . | trans | -103.7 | 115.1 | 174.7 | 161.5 | 0 | 0 | 0 | 0 | 110.6 | S41 E45 S46 C47 | S41-S43 PolarHBondContact O-N 3.34Å; S41-S43 VanDerWaalsContact O-N 3.11Å; S41-S43 PolarHBondContact OG-N 2.83Å; S43-E45 PolarHBondContact O-N 3.43Å; S43-E45 PolarHBondContact OG-N 2.85Å; S43-E45 PolarHBondContact OG-OE2 3.35Å; S43-S46 VanDerWaalsContact CB-OG 3.27Å; S43-S46 WeakPolarHBondContact CB-OG 3.48Å; S43-S46 PolarHBondContact O-N 2.76Å; S43-S46 WeakPolarHBondContact OG-CB 3.36Å; S43-S46 PolarHBondContact OG-N 2.91Å; S43-S46 VanDerWaalsContact OG-N 3.07Å; S43-S46 PolarHBondContact OG-OG 3Å; S43-C47 PolarHBondContact O-N 3.02Å; S43-C47 PolarHBondContact O-SG 3.34Å | ||
| 44 | P | 89.4 | Confident | 85.4 | Confident | 5 Ų | 5 | 47.5 Ų | 47.5 | 3% | 0.032 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -59.8 | -31.1 | 173.7 | -26.2 | 35.9 | 0 | 0 | 0 | 113.9 | L48 M81 H86 N89 Y92 M95 | P44-L48 VanDerWaalsContact O-CB 3.26Å; P44-L48 WeakPolarHBondContact O-CB 3.33Å; P44-L48 PolarHBondContact O-N 3.44Å; P44-M81 HydrophobicContact CG-SD 4.06Å; P44-H86 HydrophobicContact CG-CB 4.44Å; P44-H86 WeakPolarHBondContact CG-ND1 3.49Å; P44-N89 WeakPolarHBondContact CB-OD1 3.27Å; P44-Y92 HydrophobicContact CB-CD2 4.34Å; P44-Y92 HydrophobicContact CG-CD2 4.31Å; P44-M95 HydrophobicContact CB-CE 3.85Å; P44-M95 WeakPolarHBondContact O-CE 3.37Å |
| 45 | E | 91.1 | Very high | 85.9 | Confident | 85 Ų | 85 | 45.7 Ų | 45.7 | 40% | 0.397 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -66.4 | -47.1 | 177.2 | -51.5 | 67.7 | -147.5 | 0 | 0 | 110.4 | S43 C47 L48 S49 N89 | S43-E45 PolarHBondContact O-N 3.43Å; S43-E45 PolarHBondContact OG-N 2.85Å; S43-E45 PolarHBondContact OG-OE2 3.35Å; E45-C47 VanDerWaalsContact C-N 3.34Å; E45-L48 PolarHBondContact O-N 2.94Å; E45-S49 VanDerWaalsContact O-CB 3.27Å; E45-S49 WeakPolarHBondContact O-CB 3.18Å; E45-S49 PolarHBondContact O-N 2.92Å; E45-N89 PolarHBondContact OE1-ND2 2.9Å |
| 46 | S | 88.4 | Confident | 85.9 | Confident | 53 Ų | 53 | 51.6 Ų | 51.6 | 37% | 0.371 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -64.2 | -41.3 | 178.2 | -53.7 | 0 | 0 | 0 | 0 | 111 | S43 Y50 | S43-S46 VanDerWaalsContact CB-OG 3.27Å; S43-S46 WeakPolarHBondContact CB-OG 3.48Å; S43-S46 PolarHBondContact O-N 2.76Å; S43-S46 WeakPolarHBondContact OG-CB 3.36Å; S43-S46 PolarHBondContact OG-N 2.91Å; S43-S46 VanDerWaalsContact OG-N 3.07Å; S43-S46 PolarHBondContact OG-OG 3Å; S46-Y50 WeakPolarHBondContact O-CB 3.33Å; S46-Y50 PolarHBondContact O-N 2.93Å |
| 47 | C | 89.2 | Confident | 85.7 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -66.6 | -47.3 | 176.6 | -65.1 | 0 | 0 | 0 | 0 | 112.2 | V38 S43 E45 S49 Y50 L51 V77 M81 M95 | V38-C47 HydrophobicContact CG1-CB 4.33Å; S43-C47 PolarHBondContact O-N 3.02Å; S43-C47 PolarHBondContact O-SG 3.34Å; E45-C47 VanDerWaalsContact C-N 3.34Å; C47-S49 PolarHBondContact O-N 3.29Å; C47-Y50 PolarHBondContact O-N 2.82Å; C47-L51 WeakPolarHBondContact O-CB 3.47Å; C47-L51 VanDerWaalsContact O-CG 3.25Å; C47-L51 WeakPolarHBondContact O-CG 3.43Å; C47-L51 PolarHBondContact O-N 2.87Å; C47-V77 HydrophobicContact CB-CG1 4.47Å; C47-V77 HydrophobicContact CB-CG2 4.1Å; C47-M81 HydrophobicContact CB-CE 4.1Å; C47-M81 WeakPolarHBondContact SG-CE 3.38Å; C47-M95 HydrophobicContact CB-CE 4.12Å; C47-M95 HydrophobicContact CB-SD 3.79Å |
| 48 | L | 90.6 | Very high | 85.2 | Confident | 26 Ų | 26 | 50.8 Ų | 50.8 | 14% | 0.136 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -60.5 | -46.5 | 177.2 | 176 | 63.3 | 0 | 0 | 0 | 111 | P44 E45 L51 T52 R94 M95 | P44-L48 VanDerWaalsContact O-CB 3.26Å; P44-L48 WeakPolarHBondContact O-CB 3.33Å; P44-L48 PolarHBondContact O-N 3.44Å; E45-L48 PolarHBondContact O-N 2.94Å; L48-L51 PolarHBondContact O-N 3.45Å; L48-T52 VanDerWaalsContact O-CB 3.25Å; L48-T52 WeakPolarHBondContact O-CB 3.43Å; L48-T52 PolarHBondContact O-N 3.48Å; L48-T52 PolarHBondContact O-OG1 3.39Å; L48-R94 HydrophobicContact CD1-CB 4.26Å; L48-R94 HydrophobicContact CD2-CB 3.92Å; L48-M95 HydrophobicContact CB-CG 3.86Å; L48-M95 HydrophobicContact CB-SD 4.09Å; L48-M95 HydrophobicContact CD1-CG 3.71Å; L48-M95 HydrophobicContact CG-CG 4.34Å |
| 49 | S | 90.6 | Very high | 84.5 | Confident | 68 Ų | 68 | 53.6 Ų | 53.6 | 48% | 0.476 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -57.1 | -52.3 | 178.2 | -175.6 | 0 | 0 | 0 | 0 | 111.4 | E45 C47 L51 T52 D53 | E45-S49 VanDerWaalsContact O-CB 3.27Å; E45-S49 WeakPolarHBondContact O-CB 3.18Å; E45-S49 PolarHBondContact O-N 2.92Å; C47-S49 PolarHBondContact O-N 3.29Å; S49-L51 PolarHBondContact O-N 2.88Å; S49-T52 PolarHBondContact O-N 2.99Å; S49-D53 PolarHBondContact O-N 3.44Å |
| 50 | Y | 88.3 | Confident | 83.7 | Confident | 37 Ų | 37 | 53.9 Ų | 53.9 | 15% | 0.145 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.1 | -41.2 | 179.2 | -178.9 | -98 | 0 | 0 | 0 | 113.1 | D31 N34 I35 V38 S46 C47 D53 L54 | D31-Y50 WeakPolarHBondContact CA-OH 3.33Å; D31-Y50 PolarHBondContact O-OH 3.09Å; D31-Y50 PolarHBondContact OD1-OH 2.73Å; N34-Y50 HydrophobicContact CB-CE2 3.93Å; I35-Y50 HydrophobicContact CB-CD1 4.46Å; I35-Y50 HydrophobicContact CB-CE1 3.78Å; I35-Y50 HydrophobicContact CD1-CD1 3.67Å; I35-Y50 HydrophobicContact CD1-CE1 3.8Å; I35-Y50 HydrophobicContact CG1-CE1 4.33Å; V38-Y50 HydrophobicContact CG1-CG 4.47Å; V38-Y50 HydrophobicContact CG2-CD2 4.27Å; V38-Y50 HydrophobicContact CG2-CG 4.09Å; S46-Y50 WeakPolarHBondContact O-CB 3.33Å; S46-Y50 PolarHBondContact O-N 2.93Å; C47-Y50 PolarHBondContact O-N 2.82Å; Y50-D53 PolarHBondContact O-N 2.96Å; Y50-L54 HydrophobicContact CD1-CD1 4.1Å; Y50-L54 HydrophobicContact CD1-CG 4.3Å; Y50-L54 HydrophobicContact CE1-CD1 3.4Å; Y50-L54 HydrophobicContact CE1-CD2 4.41Å; Y50-L54 HydrophobicContact CE1-CG 3.78Å; Y50-L54 WeakPolarHBondContact O-CG 3.3Å; Y50-L54 PolarHBondContact O-N 3Å |
| 51 | L | 88.6 | Confident | 82.6 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -67.9 | -38.1 | 177.1 | -71.3 | 169.6 | 0 | 0 | 0 | 112.3 | I35 C47 L48 S49 L54 E55 L70 F73 Y74 V77 M95 | I35-L51 HydrophobicContact CD1-CD2 4.16Å; C47-L51 WeakPolarHBondContact O-CB 3.47Å; C47-L51 VanDerWaalsContact O-CG 3.25Å; C47-L51 WeakPolarHBondContact O-CG 3.43Å; C47-L51 PolarHBondContact O-N 2.87Å; L48-L51 PolarHBondContact O-N 3.45Å; S49-L51 PolarHBondContact O-N 2.88Å; L51-L54 WeakPolarHBondContact O-CB 3.5Å; L51-L54 PolarHBondContact O-N 2.88Å; L51-E55 WeakPolarHBondContact O-CB 3.4Å; L51-E55 PolarHBondContact O-N 2.86Å; L51-L70 HydrophobicContact CD2-CD1 4.11Å; L51-F73 HydrophobicContact CD2-CB 3.72Å; L51-Y74 HydrophobicContact CB-CE2 4.06Å; L51-Y74 HydrophobicContact CD1-CD1 3.77Å; L51-Y74 HydrophobicContact CD1-CD2 4.14Å; L51-Y74 HydrophobicContact CD1-CE1 3.71Å; L51-Y74 HydrophobicContact CD1-CE2 4.08Å; L51-Y74 HydrophobicContact CD1-CG 3.98Å; L51-Y74 HydrophobicContact CD2-CD2 4.14Å; L51-Y74 HydrophobicContact CD2-CE2 4.19Å; L51-Y74 HydrophobicContact CG-CE2 4.35Å; L51-V77 HydrophobicContact CD1-CG2 4.14Å; L51-M95 HydrophobicContact CD1-SD 3.92Å |
| 52 | T | 86.8 | Confident | 81.5 | Confident | 44 Ų | 44 | 57.7 Ų | 57.7 | 27% | 0.27 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -66.2 | -39.3 | 176 | -55.3 | 0 | 0 | 0 | 0 | 111 | L48 S49 E55 K56 | L48-T52 VanDerWaalsContact O-CB 3.25Å; L48-T52 WeakPolarHBondContact O-CB 3.43Å; L48-T52 PolarHBondContact O-N 3.48Å; L48-T52 PolarHBondContact O-OG1 3.39Å; S49-T52 PolarHBondContact O-N 2.99Å; T52-E55 PolarHBondContact O-N 3.44Å; T52-K56 WeakPolarHBondContact O-CG 3.33Å; T52-K56 PolarHBondContact O-N 3.49Å |
| 53 | D | 84 | Confident | 81.1 | Confident | 80 Ų | 80 | 55.7 Ų | 55.7 | 43% | 0.428 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -75 | -27 | 175.3 | -79.4 | -1.8 | 0 | 0 | 0 | 112.9 | S49 Y50 K56 K57 | S49-D53 PolarHBondContact O-N 3.44Å; Y50-D53 PolarHBondContact O-N 2.96Å; D53-K56 IonicContact OD1-NZ 2.84Å; D53-K56 PolarHBondContact OD1-NZ 3.13Å; D53-K57 WeakPolarHBondContact O-CG 3.36Å |
| 54 | L | 82.9 | Confident | 80.4 | Confident | 2 Ų | 2 | 59.1 Ų | 59.1 | 1% | 0.01 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -65.5 | -44.5 | 166 | -79.1 | -171.7 | 0 | 0 | 0 | 111.9 | D31 Y50 L51 K57 H66 L70 F73 | D31-L54 HydrophobicContact CB-CD2 4.45Å; D31-L54 WeakPolarHBondContact OD1-CD2 3.34Å; Y50-L54 HydrophobicContact CD1-CD1 4.1Å; Y50-L54 HydrophobicContact CD1-CG 4.3Å; Y50-L54 HydrophobicContact CE1-CD1 3.4Å; Y50-L54 HydrophobicContact CE1-CD2 4.41Å; Y50-L54 HydrophobicContact CE1-CG 3.78Å; Y50-L54 WeakPolarHBondContact O-CG 3.3Å; Y50-L54 PolarHBondContact O-N 3Å; L51-L54 WeakPolarHBondContact O-CB 3.5Å; L51-L54 PolarHBondContact O-N 2.88Å; L54-K57 HydrophobicContact CD2-CD 3.93Å; L54-K57 WeakPolarHBondContact O-CB 3.38Å; L54-K57 PolarHBondContact O-N 3.39Å; L54-K57 VanDerWaalsContact O-N 3.13Å; L54-H66 PolarHBondContact O-NE2 3.23Å; L54-L70 HydrophobicContact CB-CD1 4.24Å; L54-F73 HydrophobicContact CD1-CD2 3.41Å; L54-F73 VanDerWaalsContact CD1-CD2 3.41Å; L54-F73 HydrophobicContact CD1-CE2 3.53Å |
| 55 | E | 85.2 | Confident | 79.7 | Confident | 24 Ų | 24 | 64.8 Ų | 64.8 | 11% | 0.112 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -61.3 | -44 | 178.4 | 177.4 | 160.1 | -142.5 | 0 | 0 | 111.8 | L51 T52 K57 R58 L60 L70 R98 | L51-E55 WeakPolarHBondContact O-CB 3.4Å; L51-E55 PolarHBondContact O-N 2.86Å; T52-E55 PolarHBondContact O-N 3.44Å; E55-K57 PolarHBondContact O-N 3.38Å; E55-K57 VanDerWaalsContact O-N 3.08Å; E55-R58 PolarHBondContact O-N 2.96Å; E55-R58 VanDerWaalsContact O-O 3.12Å; E55-L60 HydrophobicContact CG-CD1 3.93Å; E55-L60 WeakPolarHBondContact OE1-CD1 3.47Å; E55-L70 HydrophobicContact CB-CD2 3.93Å; E55-L70 HydrophobicContact CG-CD2 4.17Å; E55-R98 IonicContact OE1-CZ 3.99Å; E55-R98 IonicContact OE1-NE 3.82Å; E55-R98 PolarHBondContact OE1-NE 3.43Å; E55-R98 IonicContact OE1-NH2 3.53Å; E55-R98 PolarHBondContact OE1-NH2 3.29Å; E55-R98 IonicContact OE2-CZ 3.8Å; E55-R98 IonicContact OE2-NE 2.93Å; E55-R98 PolarHBondContact OE2-NE 2.93Å; E55-R98 IonicContact OE2-NH2 3.38Å |
| 56 | K | 81.4 | Confident | 79.2 | Confident | 123 Ų | 123 | 61.3 Ų | 61.3 | 54% | 0.535 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | -15.9 | 174.1 | -70.6 | 167.4 | -169.4 | 155.5 | 0 | 114.5 | T52 D53 R58 | T52-K56 WeakPolarHBondContact O-CG 3.33Å; T52-K56 PolarHBondContact O-N 3.49Å; D53-K56 IonicContact OD1-NZ 2.84Å; D53-K56 PolarHBondContact OD1-NZ 3.13Å; K56-R58 PolarHBondContact O-N 3.08Å |
| 57 | K | 75.8 | Confident | 78.9 | Confident | 110 Ų | 110 | 58.9 Ų | 58.9 | 48% | 0.478 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -23.9 | -178.5 | -72.5 | 170.2 | -171.6 | -176.3 | 0 | 113.4 | D31 D53 L54 E55 | D31-K57 IonicContact OD1-NZ 2.61Å; D31-K57 PolarHBondContact OD1-NZ 3.33Å; D31-K57 IonicContact OD2-NZ 2.81Å; D53-K57 WeakPolarHBondContact O-CG 3.36Å; L54-K57 HydrophobicContact CD2-CD 3.93Å; L54-K57 WeakPolarHBondContact O-CB 3.38Å; L54-K57 PolarHBondContact O-N 3.39Å; L54-K57 VanDerWaalsContact O-N 3.13Å; E55-K57 PolarHBondContact O-N 3.38Å; E55-K57 VanDerWaalsContact O-N 3.08Å |
| 58 | R | 72.8 | Confident | 78.7 | Confident | 71 Ų | 71 | 62.1 Ų | 62.1 | 27% | 0.268 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -153.4 | 153.6 | -178.1 | -57.6 | -174.5 | -171.7 | 171.4 | 8.9 | 113.4 | Y26 E55 K56 L60 D63 | Y26-R58 PolarHBondContact O-NH2 3.12Å; E55-R58 PolarHBondContact O-N 2.96Å; E55-R58 VanDerWaalsContact O-O 3.12Å; K56-R58 PolarHBondContact O-N 3.08Å; R58-L60 PolarHBondContact O-N 2.88Å; R58-D63 WeakPolarHBondContact CD-OD2 3.47Å; R58-D63 IonicContact CZ-OD2 3.98Å; R58-D63 IonicContact NE-OD2 3.89Å; R58-D63 IonicContact NH1-OD2 3.2Å; R58-D63 PolarHBondContact NH1-OD2 2.99Å |
| 59 | D | 69 | Low | 78.3 | Confident | 89 Ų | 89 | 63.4 Ų | 63.4 | 48% | 0.476 | 32% | 0.32 | S | S | . | . | trans | -67.4 | 118.7 | 168.5 | -175.2 | -13.1 | 0 | 0 | 0 | 111.4 | L61 L62 D63 | D59-L61 PolarHBondContact OD1-N 3.49Å; D59-L62 HydrophobicContact CB-CB 4.46Å; D59-L62 PolarHBondContact O-N 3.12Å; D59-D63 PolarHBondContact O-N 3.34Å | ||
| 60 | L | 69.1 | Low | 78.1 | Confident | 17 Ų | 17 | 60.2 Ų | 60.2 | 9% | 0.089 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72 | -24.2 | -179.1 | -70.1 | 169 | 0 | 0 | 0 | 114 | E55 R58 L62 L67 L70 L102 | E55-L60 HydrophobicContact CG-CD1 3.93Å; E55-L60 WeakPolarHBondContact OE1-CD1 3.47Å; R58-L60 PolarHBondContact O-N 2.88Å; L60-L62 VanDerWaalsContact C-N 3.31Å; L60-L67 HydrophobicContact CD2-CB 4.07Å; L60-L67 HydrophobicContact CD2-CD1 4.18Å; L60-L70 HydrophobicContact CD1-CD2 4.32Å; L60-L70 HydrophobicContact CD2-CD2 3.92Å; L60-L102 HydrophobicContact CD1-CD2 3.53Å; L60-L102 HydrophobicContact CD2-CD2 4.46Å |
| 61 | L | 59.6 | Low | 78.2 | Confident | 131 Ų | 131 | 59 Ų | 59 | 69% | 0.686 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.8 | -15.1 | 179.3 | -63.7 | 174.9 | 0 | 0 | 0 | 112.3 | D59 L105 | D59-L61 PolarHBondContact OD1-N 3.49Å; L61-L105 HydrophobicContact CD2-CD2 4.02Å |
| 62 | L | 58.3 | Low | 78.1 | Confident | 147 Ų | 147 | 62.2 Ų | 62.2 | 77% | 0.77 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.5 | -26.9 | 177.5 | -95.1 | 68 | 0 | 0 | 0 | 114.2 | D59 L60 | D59-L62 HydrophobicContact CB-CB 4.46Å; D59-L62 PolarHBondContact O-N 3.12Å; L60-L62 VanDerWaalsContact C-N 3.31Å |
| 63 | D | 73.9 | Confident | 78.2 | Confident | 32 Ų | 32 | 60.4 Ų | 60.4 | 17% | 0.171 | 30% | 0.299 | C | S | . | . | trans | -114.7 | 81.1 | 179.5 | -168.9 | -5.7 | 0 | 0 | 0 | 112.6 | R58 D59 N65 H66 L67 | R58-D63 WeakPolarHBondContact CD-OD2 3.47Å; R58-D63 IonicContact CZ-OD2 3.98Å; R58-D63 IonicContact NE-OD2 3.89Å; R58-D63 IonicContact NH1-OD2 3.2Å; R58-D63 PolarHBondContact NH1-OD2 2.99Å; D59-D63 PolarHBondContact O-N 3.34Å; D63-N65 PolarHBondContact O-N 3.41Å; D63-N65 WeakPolarHBondContact OD1-CB 3.32Å; D63-N65 PolarHBondContact OD1-N 2.79Å; D63-N65 VanDerWaalsContact OD1-N 3.12Å; D63-H66 HydrophobicContact CB-CB 3.85Å; D63-H66 WeakPolarHBondContact O-CA 3.42Å; D63-H66 WeakPolarHBondContact O-CB 3.33Å; D63-H66 PolarHBondContact O-N 3.23Å; D63-H66 PolarHBondContact OD1-N 2.78Å; D63-H66 VanDerWaalsContact OD1-N 3.09Å; D63-H66 WeakPolarHBondContact OD2-CB 3.39Å; D63-L67 PolarHBondContact O-N 3.43Å | ||
| 64 | Q | 74.4 | Confident | 78.5 | Confident | 97 Ų | 97 | 56.6 Ų | 56.6 | 45% | 0.453 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -56 | -24.1 | 175.6 | -158.6 | 70.2 | 2.4 | 0 | 0 | 113.4 | T68 | Q64-T68 WeakPolarHBondContact O-CB 3.41Å; Q64-T68 PolarHBondContact O-N 3.32Å; Q64-T68 PolarHBondContact O-OG1 3.18Å |
| 65 | N | 74.6 | Confident | 78.9 | Confident | 124 Ų | 124 | 59.4 Ų | 59.4 | 66% | 0.663 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -76.6 | -34.3 | 174.9 | -59 | -76.2 | 0 | 0 | 0 | 111.4 | D63 R69 | D63-N65 PolarHBondContact O-N 3.41Å; D63-N65 WeakPolarHBondContact OD1-CB 3.32Å; D63-N65 PolarHBondContact OD1-N 2.79Å; D63-N65 VanDerWaalsContact OD1-N 3.12Å; N65-R69 WeakPolarHBondContact O-CB 3.33Å; N65-R69 WeakPolarHBondContact O-CG 3.49Å; N65-R69 PolarHBondContact O-N 2.94Å |
| 66 | H | 80.3 | Confident | 79.1 | Confident | 12 Ų | 12 | 62.1 Ų | 62.1 | 6% | 0.056 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -67.8 | -46.5 | 171.8 | -174.9 | 61.3 | 0 | 0 | 0 | 111.2 | L54 D63 T68 R69 L70 | L54-H66 PolarHBondContact O-NE2 3.23Å; D63-H66 HydrophobicContact CB-CB 3.85Å; D63-H66 WeakPolarHBondContact O-CA 3.42Å; D63-H66 WeakPolarHBondContact O-CB 3.33Å; D63-H66 PolarHBondContact O-N 3.23Å; D63-H66 PolarHBondContact OD1-N 2.78Å; D63-H66 VanDerWaalsContact OD1-N 3.09Å; D63-H66 WeakPolarHBondContact OD2-CB 3.39Å; H66-T68 VanDerWaalsContact C-N 3.32Å; H66-T68 PolarHBondContact O-N 2.95Å; H66-R69 PolarHBondContact O-N 2.57Å; H66-R69 VanDerWaalsContact O-N 3.1Å; H66-L70 WeakPolarHBondContact O-CB 3.35Å; H66-L70 PolarHBondContact O-N 2.85Å |
| 67 | L | 82.5 | Confident | 79.4 | Confident | 2 Ų | 2 | 56.2 Ų | 56.2 | 1% | 0.01 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -53.7 | -48 | 172.4 | 176.5 | 60.3 | 0 | 0 | 0 | 111.6 | L60 D63 R69 L70 I71 L102 L105 | L60-L67 HydrophobicContact CD2-CB 4.07Å; L60-L67 HydrophobicContact CD2-CD1 4.18Å; D63-L67 PolarHBondContact O-N 3.43Å; L67-R69 VanDerWaalsContact C-N 3.35Å; L67-R69 PolarHBondContact O-N 3.11Å; L67-L70 PolarHBondContact O-N 3.48Å; L67-I71 HydrophobicContact CD1-CD1 3.93Å; L67-I71 HydrophobicContact CD1-CG1 4.32Å; L67-I71 HydrophobicContact CG-CD1 4.04Å; L67-I71 WeakPolarHBondContact O-CG1 3.38Å; L67-I71 PolarHBondContact O-N 3.31Å; L67-L102 HydrophobicContact CD1-CB 4.12Å; L67-L102 HydrophobicContact CD1-CD2 3.61Å; L67-L102 HydrophobicContact CD1-CG 4.45Å; L67-L105 HydrophobicContact CD1-CB 4.49Å; L67-L105 HydrophobicContact CD1-CD1 4.45Å; L67-L105 HydrophobicContact CD2-CB 3.84Å |
| 68 | T | 83 | Confident | 80.1 | Confident | 69 Ų | 69 | 52.8 Ų | 52.8 | 42% | 0.423 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -63.5 | -36.7 | 177.9 | -56.1 | 0 | 0 | 0 | 0 | 112.7 | Q64 H66 D72 | Q64-T68 WeakPolarHBondContact O-CB 3.41Å; Q64-T68 PolarHBondContact O-N 3.32Å; Q64-T68 PolarHBondContact O-OG1 3.18Å; H66-T68 VanDerWaalsContact C-N 3.32Å; H66-T68 PolarHBondContact O-N 2.95Å; T68-D72 PolarHBondContact O-N 2.85Å; T68-D72 VanDerWaalsContact O-N 3.16Å |
| 69 | R | 83.3 | Confident | 80.8 | Confident | 53 Ų | 53 | 53.6 Ų | 53.6 | 20% | 0.2 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -69.9 | -38.4 | 174.2 | -77.5 | 178.1 | 68.6 | 176.3 | 2.3 | 112.5 | N65 H66 L67 D72 F73 | N65-R69 WeakPolarHBondContact O-CB 3.33Å; N65-R69 WeakPolarHBondContact O-CG 3.49Å; N65-R69 PolarHBondContact O-N 2.94Å; H66-R69 PolarHBondContact O-N 2.57Å; H66-R69 VanDerWaalsContact O-N 3.1Å; L67-R69 VanDerWaalsContact C-N 3.35Å; L67-R69 PolarHBondContact O-N 3.11Å; R69-D72 WeakPolarHBondContact O-CB 3.28Å; R69-D72 PolarHBondContact O-N 2.96Å; R69-F73 WeakPolarHBondContact O-CG 3.43Å; R69-F73 PolarHBondContact O-N 3.4Å |
| 70 | L | 86.9 | Confident | 81.5 | Confident | 1 Ų | 1 | 53.8 Ų | 53.8 | 1% | 0.005 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -64.7 | -46.5 | 178.6 | -169.9 | 60.8 | 0 | 0 | 0 | 110 | L51 L54 E55 L60 H66 L67 D72 F73 Y74 L102 | L51-L70 HydrophobicContact CD2-CD1 4.11Å; L54-L70 HydrophobicContact CB-CD1 4.24Å; E55-L70 HydrophobicContact CB-CD2 3.93Å; E55-L70 HydrophobicContact CG-CD2 4.17Å; L60-L70 HydrophobicContact CD1-CD2 4.32Å; L60-L70 HydrophobicContact CD2-CD2 3.92Å; H66-L70 WeakPolarHBondContact O-CB 3.35Å; H66-L70 PolarHBondContact O-N 2.85Å; L67-L70 PolarHBondContact O-N 3.48Å; L70-D72 VanDerWaalsContact C-N 3.32Å; L70-D72 PolarHBondContact O-N 3.16Å; L70-F73 PolarHBondContact O-N 3.23Å; L70-F73 VanDerWaalsContact O-N 3.09Å; L70-Y74 HydrophobicContact CD1-CD2 4.19Å; L70-Y74 HydrophobicContact CD1-CE2 3.86Å; L70-Y74 HydrophobicContact CD2-CE2 4.38Å; L70-Y74 HydrophobicContact CG-CD2 4Å; L70-Y74 HydrophobicContact CG-CE2 3.8Å; L70-Y74 WeakPolarHBondContact O-CD2 3.49Å; L70-Y74 PolarHBondContact O-N 2.9Å; L70-L102 HydrophobicContact CD2-CD1 3.69Å; L70-L102 HydrophobicContact CD2-CD2 3.94Å; L70-L102 HydrophobicContact CG-CD1 3.9Å |
| 71 | I | 88.8 | Confident | 82.3 | Confident | 10 Ų | 10 | 53 Ų | 53 | 5% | 0.051 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -57.2 | -41.4 | 173.3 | -68.3 | 169.8 | 0 | 0 | 0 | 111.8 | L67 T75 F99 L102 Q106 | L67-I71 HydrophobicContact CD1-CD1 3.93Å; L67-I71 HydrophobicContact CD1-CG1 4.32Å; L67-I71 HydrophobicContact CG-CD1 4.04Å; L67-I71 WeakPolarHBondContact O-CG1 3.38Å; L67-I71 PolarHBondContact O-N 3.31Å; I71-T75 WeakPolarHBondContact O-CB 3.18Å; I71-T75 PolarHBondContact O-N 3.14Å; I71-T75 PolarHBondContact O-OG1 2.84Å; I71-F99 HydrophobicContact CG2-CE2 3.9Å; I71-L102 HydrophobicContact CD1-CB 4.46Å; I71-L102 HydrophobicContact CG1-CB 4.06Å; I71-Q106 HydrophobicContact CD1-CB 4.11Å |
| 72 | D | 86.7 | Confident | 83.2 | Confident | 69 Ų | 69 | 50 Ų | 50 | 37% | 0.369 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -61.1 | -42.8 | 174.2 | -174.7 | 80 | 0 | 0 | 0 | 111.9 | T68 R69 L70 T75 R76 | T68-D72 PolarHBondContact O-N 2.85Å; T68-D72 VanDerWaalsContact O-N 3.16Å; R69-D72 WeakPolarHBondContact O-CB 3.28Å; R69-D72 PolarHBondContact O-N 2.96Å; L70-D72 VanDerWaalsContact C-N 3.32Å; L70-D72 PolarHBondContact O-N 3.16Å; D72-T75 WeakPolarHBondContact O-CB 3.44Å; D72-T75 PolarHBondContact O-N 3.17Å; D72-R76 WeakPolarHBondContact O-CG 3.28Å; D72-R76 PolarHBondContact O-N 2.7Å; D72-R76 IonicContact OD2-CZ 2.64Å; D72-R76 VanDerWaalsContact OD2-CZ 3.22Å; D72-R76 IonicContact OD2-NE 2.63Å; D72-R76 PolarHBondContact OD2-NE 3.49Å; D72-R76 IonicContact OD2-NH2 2.69Å; D72-R76 PolarHBondContact OD2-NH2 3.46Å |
| 73 | F | 88.9 | Confident | 84.1 | Confident | 6 Ų | 6 | 45.5 Ų | 45.5 | 3% | 0.026 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -67.8 | -43.5 | 178.2 | -63.9 | -24.4 | 0 | 0 | 0 | 113.3 | I35 L51 L54 R69 L70 T75 R76 V77 | I35-F73 HydrophobicContact CB-CD1 4.48Å; I35-F73 HydrophobicContact CD1-CB 4.33Å; I35-F73 HydrophobicContact CG1-CB 4.13Å; I35-F73 HydrophobicContact CG1-CD1 4.23Å; I35-F73 HydrophobicContact CG1-CG 4.17Å; I35-F73 HydrophobicContact CG2-CD1 3.93Å; I35-F73 HydrophobicContact CG2-CE1 3.79Å; I35-F73 HydrophobicContact CG2-CZ 4.24Å; L51-F73 HydrophobicContact CD2-CB 3.72Å; L54-F73 HydrophobicContact CD1-CD2 3.41Å; L54-F73 VanDerWaalsContact CD1-CD2 3.41Å; L54-F73 HydrophobicContact CD1-CE2 3.53Å; R69-F73 WeakPolarHBondContact O-CG 3.43Å; R69-F73 PolarHBondContact O-N 3.4Å; L70-F73 PolarHBondContact O-N 3.23Å; L70-F73 VanDerWaalsContact O-N 3.09Å; F73-T75 VanDerWaalsContact C-N 3.3Å; F73-T75 PolarHBondContact O-N 3.5Å; F73-R76 PolarHBondContact O-N 2.84Å; F73-V77 PolarHBondContact O-N 3.29Å |
| 74 | Y | 91.3 | Very high | 84 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -58.6 | -42.1 | 170.5 | -85.7 | -87.2 | 0 | 0 | 0 | 111.4 | L51 L70 R76 V77 F78 M95 R98 F99 L102 | L51-Y74 HydrophobicContact CB-CE2 4.06Å; L51-Y74 HydrophobicContact CD1-CD1 3.77Å; L51-Y74 HydrophobicContact CD1-CD2 4.14Å; L51-Y74 HydrophobicContact CD1-CE1 3.71Å; L51-Y74 HydrophobicContact CD1-CE2 4.08Å; L51-Y74 HydrophobicContact CD1-CG 3.98Å; L51-Y74 HydrophobicContact CD2-CD2 4.14Å; L51-Y74 HydrophobicContact CD2-CE2 4.19Å; L51-Y74 HydrophobicContact CG-CE2 4.35Å; L70-Y74 HydrophobicContact CD1-CD2 4.19Å; L70-Y74 HydrophobicContact CD1-CE2 3.86Å; L70-Y74 HydrophobicContact CD2-CE2 4.38Å; L70-Y74 HydrophobicContact CG-CD2 4Å; L70-Y74 HydrophobicContact CG-CE2 3.8Å; L70-Y74 WeakPolarHBondContact O-CD2 3.49Å; L70-Y74 PolarHBondContact O-N 2.9Å; Y74-R76 VanDerWaalsContact C-N 3.34Å; Y74-R76 PolarHBondContact O-N 2.73Å; Y74-V77 WeakPolarHBondContact O-CB 3.39Å; Y74-V77 PolarHBondContact O-N 3.26Å; Y74-V77 VanDerWaalsContact O-N 3.15Å; Y74-F78 HydrophobicContact CD1-CE2 4.08Å; Y74-F78 HydrophobicContact CD1-CZ 4.14Å; Y74-F78 WeakPolarHBondContact O-CD2 3.45Å; Y74-F78 PolarHBondContact O-N 2.99Å; Y74-M95 HydrophobicContact CD1-CB 4.28Å; Y74-M95 HydrophobicContact CE1-CB 3.89Å; Y74-M95 HydrophobicContact CE1-CG 4Å; Y74-R98 HydrophobicContact CE1-CB 4.39Å; Y74-R98 WeakPolarHBondContact OH-CG 3.44Å; Y74-F99 HydrophobicContact CD1-CB 4.11Å; Y74-F99 HydrophobicContact CD1-CD2 4.46Å; Y74-F99 HydrophobicContact CG-CB 4.42Å; Y74-F99 AromaticContact CG-CD2 3.98Å; Y74-F99 HydrophobicContact CG-CD2 3.98Å; Y74-L102 HydrophobicContact CD2-CD1 3.8Å; Y74-L102 HydrophobicContact CE2-CD1 3.48Å; Y74-L102 VanDerWaalsContact CE2-CD1 3.48Å |
| 75 | T | 90.6 | Very high | 84.1 | Confident | 60 Ų | 60 | 50.4 Ų | 50.4 | 37% | 0.368 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -61.4 | -40.7 | 177.9 | -55.7 | 0 | 0 | 0 | 0 | 111.9 | I71 D72 F73 S79 | I71-T75 WeakPolarHBondContact O-CB 3.18Å; I71-T75 PolarHBondContact O-N 3.14Å; I71-T75 PolarHBondContact O-OG1 2.84Å; D72-T75 WeakPolarHBondContact O-CB 3.44Å; D72-T75 PolarHBondContact O-N 3.17Å; F73-T75 VanDerWaalsContact C-N 3.3Å; F73-T75 PolarHBondContact O-N 3.5Å; T75-S79 WeakPolarHBondContact O-CB 3.27Å; T75-S79 PolarHBondContact O-N 3.46Å; T75-S79 PolarHBondContact O-OG 2.97Å |
| 76 | R | 89.6 | Confident | 84.5 | Confident | 81 Ų | 81 | 45.6 Ų | 45.6 | 31% | 0.306 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -65.1 | -39.5 | 173.7 | -66.7 | 174.8 | -162.3 | -155.3 | 7.8 | 112.5 | I39 D72 F73 Y74 S79 N80 | I39-R76 HydrophobicContact CD1-CB 3.72Å; D72-R76 WeakPolarHBondContact O-CG 3.28Å; D72-R76 PolarHBondContact O-N 2.7Å; D72-R76 IonicContact OD2-CZ 2.64Å; D72-R76 VanDerWaalsContact OD2-CZ 3.22Å; D72-R76 IonicContact OD2-NE 2.63Å; D72-R76 PolarHBondContact OD2-NE 3.49Å; D72-R76 IonicContact OD2-NH2 2.69Å; D72-R76 PolarHBondContact OD2-NH2 3.46Å; F73-R76 PolarHBondContact O-N 2.84Å; Y74-R76 VanDerWaalsContact C-N 3.34Å; Y74-R76 PolarHBondContact O-N 2.73Å; R76-S79 PolarHBondContact O-N 3.43Å; R76-N80 PolarHBondContact O-N 3.25Å; R76-N80 PolarHBondContact O-ND2 3.39Å |
| 77 | V | 87.9 | Confident | 84.4 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -58.4 | -51.5 | 175.9 | 152 | 0 | 0 | 0 | 0 | 110.9 | I35 I39 C47 L51 F73 Y74 S79 N80 M81 M95 | I35-V77 HydrophobicContact CD1-CG2 4.32Å; I39-V77 HydrophobicContact CD1-CG2 4.03Å; I39-V77 HydrophobicContact CG1-CG2 3.72Å; C47-V77 HydrophobicContact CB-CG1 4.47Å; C47-V77 HydrophobicContact CB-CG2 4.1Å; L51-V77 HydrophobicContact CD1-CG2 4.14Å; F73-V77 PolarHBondContact O-N 3.29Å; Y74-V77 WeakPolarHBondContact O-CB 3.39Å; Y74-V77 PolarHBondContact O-N 3.26Å; Y74-V77 VanDerWaalsContact O-N 3.15Å; V77-S79 VanDerWaalsContact C-N 3.32Å; V77-S79 PolarHBondContact O-N 2.83Å; V77-N80 PolarHBondContact O-N 2.93Å; V77-M81 HydrophobicContact CB-CE 4.47Å; V77-M81 HydrophobicContact CG1-CE 3.82Å; V77-M81 HydrophobicContact CG2-CE 4.45Å; V77-M81 PolarHBondContact O-N 2.89Å; V77-M95 HydrophobicContact CG1-CE 4.06Å; V77-M95 HydrophobicContact CG1-SD 3.86Å |
| 78 | F | 90.3 | Very high | 84.5 | Confident | 37 Ų | 37 | 53.7 Ų | 53.7 | 16% | 0.162 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -69.4 | -27.3 | 178.3 | -57.7 | -54.9 | 0 | 0 | 0 | 113.7 | Y74 N80 Y92 M95 L96 F99 | Y74-F78 HydrophobicContact CD1-CE2 4.08Å; Y74-F78 HydrophobicContact CD1-CZ 4.14Å; Y74-F78 WeakPolarHBondContact O-CD2 3.45Å; Y74-F78 PolarHBondContact O-N 2.99Å; F78-N80 VanDerWaalsContact C-N 3.26Å; F78-N80 PolarHBondContact O-N 3.45Å; F78-Y92 HydrophobicContact CD1-CE2 4Å; F78-Y92 AromaticContact CD1-CZ 3.95Å; F78-Y92 HydrophobicContact CE1-CE2 4.24Å; F78-M95 HydrophobicContact CE1-CB 4.11Å; F78-M95 HydrophobicContact CZ-CB 3.92Å; F78-L96 HydrophobicContact CD1-CD2 4.02Å; F78-L96 HydrophobicContact CE1-CD2 3.55Å; F78-L96 HydrophobicContact CE1-CG 3.91Å; F78-L96 HydrophobicContact CE2-CD2 4.43Å; F78-L96 HydrophobicContact CZ-CD2 3.79Å; F78-L96 HydrophobicContact CZ-CG 4.21Å; F78-F99 HydrophobicContact CD2-CD1 4.36Å; F78-F99 HydrophobicContact CD2-CG 4.47Å; F78-F99 HydrophobicContact CE2-CB 3.75Å; F78-F99 AromaticContact CE2-CD1 3.88Å; F78-F99 HydrophobicContact CE2-CD1 3.88Å; F78-F99 HydrophobicContact CE2-CD2 4.18Å; F78-F99 HydrophobicContact CE2-CE1 4.49Å; F78-F99 AromaticContact CE2-CG 3.69Å; F78-F99 HydrophobicContact CE2-CG 3.69Å; F78-F99 HydrophobicContact CZ-CB 4.19Å |
| 79 | S | 87.6 | Confident | 84.8 | Confident | 89 Ų | 89 | 52.1 Ų | 52.1 | 62% | 0.622 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -66.7 | -25.7 | 175 | -60.2 | 0 | 0 | 0 | 0 | 113.2 | T75 R76 V77 | T75-S79 WeakPolarHBondContact O-CB 3.27Å; T75-S79 PolarHBondContact O-N 3.46Å; T75-S79 PolarHBondContact O-OG 2.97Å; R76-S79 PolarHBondContact O-N 3.43Å; V77-S79 VanDerWaalsContact C-N 3.32Å; V77-S79 PolarHBondContact O-N 2.83Å |
| 80 | N | 84.3 | Confident | 85.2 | Confident | 93 Ų | 93 | 54.1 Ų | 54.1 | 50% | 0.497 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -104.9 | -32 | -178.2 | -69.8 | -79.1 | 0 | 0 | 0 | 113.2 | I39 R76 V77 F78 P82 | I39-N80 HydrophobicContact CG2-CB 3.57Å; R76-N80 PolarHBondContact O-N 3.25Å; R76-N80 PolarHBondContact O-ND2 3.39Å; V77-N80 PolarHBondContact O-N 2.93Å; F78-N80 VanDerWaalsContact C-N 3.26Å; F78-N80 PolarHBondContact O-N 3.45Å; N80-P82 WeakPolarHBondContact O-CD 3.47Å |
| 81 | M | 85.1 | Confident | 85.4 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 30% | 0.303 | C | S | . | . | S | Bend | trans | -103.4 | 92.8 | 171.6 | -76.7 | 175.7 | -80 | 0 | 0 | 110.6 | P44 C47 V77 Y92 | P44-M81 HydrophobicContact CG-SD 4.06Å; C47-M81 HydrophobicContact CB-CE 4.1Å; C47-M81 WeakPolarHBondContact SG-CE 3.38Å; V77-M81 HydrophobicContact CB-CE 4.47Å; V77-M81 HydrophobicContact CG1-CE 3.82Å; V77-M81 HydrophobicContact CG2-CE 4.45Å; V77-M81 PolarHBondContact O-N 2.89Å; M81-Y92 HydrophobicContact CB-CE2 3.94Å; M81-Y92 WeakPolarHBondContact O-CE2 3.41Å; M81-Y92 PolarHBondContact O-OH 3.33Å |
| 82 | P | 79.5 | Confident | 85.6 | Confident | 67 Ų | 67 | 54.8 Ų | 54.8 | 44% | 0.435 | 30% | 0.301 | S | S | . | . | trans | -71.3 | 139.9 | -176.9 | 28.3 | -35.8 | 0 | 0 | 0 | 112.9 | N80 G84 K85 | N80-P82 WeakPolarHBondContact O-CD 3.47Å; P82-G84 VanDerWaalsContact C-N 3.27Å; P82-G84 PolarHBondContact O-N 3.46Å; P82-K85 HydrophobicContact CG-CD 4.44Å; P82-K85 PolarHBondContact O-N 2.86Å | ||
| 83 | L | 76.5 | Confident | 85.9 | Confident | 54 Ų | 54 | 51.5 Ų | 51.5 | 28% | 0.283 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -41.2 | -47.6 | -173.7 | -63.3 | 162.9 | 0 | 0 | 0 | 114.1 | K85 H86 C87 Y92 L96 V117 | L83-K85 PolarHBondContact O-N 2.7Å; L83-K85 VanDerWaalsContact O-N 3.07Å; L83-H86 PolarHBondContact O-N 2.65Å; L83-H86 VanDerWaalsContact O-N 3.1Å; L83-C87 PolarHBondContact O-N 3.04Å; L83-Y92 WeakPolarHBondContact CA-OH 3.5Å; L83-Y92 HydrophobicContact CD2-CE1 3.96Å; L83-Y92 PolarHBondContact N-OH 3.46Å; L83-L96 HydrophobicContact CD2-CD1 4.11Å; L83-L96 HydrophobicContact CD2-CD2 3.97Å; L83-V117 HydrophobicContact CD2-CG1 4.43Å |
| 84 | G | 71.9 | Confident | 86 | Confident | 71 Ų | 71 | 54.6 Ų | 54.6 | 73% | 0.732 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -64.3 | -11.9 | -174.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | P82 | P82-G84 VanDerWaalsContact C-N 3.27Å; P82-G84 PolarHBondContact O-N 3.46Å |
| 85 | K | 76.4 | Confident | 86.2 | Confident | 161 Ų | 161 | 54.6 Ų | 54.6 | 70% | 0.7 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -96.5 | -22.5 | 173.9 | -71.7 | -176.1 | 179.2 | 179.4 | 0 | 113.9 | P82 L83 | P82-K85 HydrophobicContact CG-CD 4.44Å; P82-K85 PolarHBondContact O-N 2.86Å; L83-K85 PolarHBondContact O-N 2.7Å; L83-K85 VanDerWaalsContact O-N 3.07Å |
| 86 | H | 83.1 | Confident | 86.3 | Confident | 23 Ų | 23 | 52.2 Ų | 52.2 | 11% | 0.106 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -127.3 | 3.9 | -166.7 | -59.3 | -81.9 | 0 | 0 | 0 | 114 | N42 P44 L83 H88 N89 Y92 | N42-H86 PolarHBondContact ND2-CE1 3.28Å; N42-H86 PolarHBondContact ND2-NE2 3.2Å; P44-H86 HydrophobicContact CG-CB 4.44Å; P44-H86 WeakPolarHBondContact CG-ND1 3.49Å; L83-H86 PolarHBondContact O-N 2.65Å; L83-H86 VanDerWaalsContact O-N 3.1Å; H86-H88 PolarHBondContact O-N 3.13Å; H86-H88 VanDerWaalsContact O-N 3.14Å; H86-N89 VanDerWaalsContact O-CB 3.25Å; H86-N89 WeakPolarHBondContact O-CB 3.25Å; H86-N89 PolarHBondContact O-N 3.34Å; H86-Y92 HydrophobicContact CB-CD1 3.75Å; H86-Y92 HydrophobicContact CB-CD2 3.57Å; H86-Y92 HydrophobicContact CB-CE1 4.01Å; H86-Y92 HydrophobicContact CB-CE2 3.85Å; H86-Y92 HydrophobicContact CB-CG 3.51Å; H86-Y92 WeakPolarHBondContact O-CD1 3.29Å |
| 87 | C | 78.4 | Confident | 86.5 | Confident | 23 Ų | 23 | 48.8 Ų | 48.8 | 16% | 0.155 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -48.7 | -37.2 | 176.3 | 47.6 | 0 | 0 | 0 | 0 | 115.3 | L83 N89 H121 S122 | L83-C87 PolarHBondContact O-N 3.04Å; C87-N89 VanDerWaalsContact C-N 3.33Å; C87-H121 VanDerWaalsContact CB-O 3.24Å; C87-H121 WeakPolarHBondContact CB-O 3.28Å; C87-S122 PolarHBondContact O-OG 3.34Å |
| 88 | H | 83.6 | Confident | 86.8 | Confident | 161 Ų | 161 | 53 Ų | 53 | 75% | 0.745 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.7 | 2.5 | 178.4 | -60.1 | 98.6 | 0 | 0 | 0 | 114.4 | H86 | H86-H88 PolarHBondContact O-N 3.13Å; H86-H88 VanDerWaalsContact O-N 3.14Å |
| 89 | N | 90.8 | Very high | 86.9 | Confident | 36 Ų | 36 | 52.2 Ų | 52.2 | 19% | 0.193 | 28% | 0.28 | C | S | . | . | trans | -95.6 | 124.8 | -176.8 | -178.6 | -74.8 | 0 | 0 | 0 | 111.1 | P44 E45 H86 C87 S91 Y92 A93 | P44-N89 WeakPolarHBondContact CB-OD1 3.27Å; E45-N89 PolarHBondContact OE1-ND2 2.9Å; H86-N89 VanDerWaalsContact O-CB 3.25Å; H86-N89 WeakPolarHBondContact O-CB 3.25Å; H86-N89 PolarHBondContact O-N 3.34Å; C87-N89 VanDerWaalsContact C-N 3.33Å; N89-S91 PolarHBondContact O-N 3.24Å; N89-S91 WeakPolarHBondContact OD1-CA 3.34Å; N89-S91 WeakPolarHBondContact OD1-CB 3.26Å; N89-S91 PolarHBondContact OD1-N 2.95Å; N89-Y92 PolarHBondContact O-N 2.81Å; N89-Y92 PolarHBondContact OD1-N 2.91Å; N89-A93 PolarHBondContact O-N 3.19Å | ||
| 90 | E | 91.1 | Very high | 87.1 | Confident | 94 Ų | 94 | 48 Ų | 48 | 44% | 0.439 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -64.4 | -37.4 | -175.7 | -165.1 | -178.4 | 141.6 | 0 | 0 | 113 | A93 R94 F125 F127 | E90-A93 PolarHBondContact O-N 2.92Å; E90-R94 PolarHBondContact O-N 3.01Å; E90-R94 IonicContact OE1-CZ 2.75Å; E90-R94 IonicContact OE1-NH1 3.23Å; E90-R94 PolarHBondContact OE1-NH1 3.41Å; E90-R94 IonicContact OE1-NH2 3.45Å; E90-R94 PolarHBondContact OE1-NH2 3.09Å; E90-F125 HydrophobicContact CB-CD1 4.4Å; E90-F125 HydrophobicContact CB-CE1 3.63Å; E90-F125 HydrophobicContact CB-CZ 3.98Å; E90-F125 HydrophobicContact CG-CD1 3.99Å; E90-F125 HydrophobicContact CG-CE1 3.67Å; E90-F125 HydrophobicContact CG-CZ 4.46Å; E90-F127 HydrophobicContact CG-CE1 4Å; E90-F127 HydrophobicContact CG-CZ 4.42Å |
| 91 | S | 91.8 | Very high | 87.4 | Confident | 24 Ų | 24 | 46.1 Ų | 46.1 | 17% | 0.168 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -68.7 | -38.4 | 177 | -58.5 | 0 | 0 | 0 | 0 | 111.6 | N89 R94 M95 | N89-S91 PolarHBondContact O-N 3.24Å; N89-S91 WeakPolarHBondContact OD1-CA 3.34Å; N89-S91 WeakPolarHBondContact OD1-CB 3.26Å; N89-S91 PolarHBondContact OD1-N 2.95Å; S91-R94 PolarHBondContact O-N 2.85Å; S91-M95 WeakPolarHBondContact O-CG 3.43Å; S91-M95 PolarHBondContact O-N 2.93Å |
| 92 | Y | 92.3 | Very high | 87.6 | Confident | 1 Ų | 1 | 46.1 Ų | 46.1 | 0% | 0.004 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -66.2 | -41.3 | 174 | -166.2 | -97.5 | 0 | 0 | 0 | 111.8 | P44 F78 M81 L83 H86 N89 M95 L96 | P44-Y92 HydrophobicContact CB-CD2 4.34Å; P44-Y92 HydrophobicContact CG-CD2 4.31Å; F78-Y92 HydrophobicContact CD1-CE2 4Å; F78-Y92 AromaticContact CD1-CZ 3.95Å; F78-Y92 HydrophobicContact CE1-CE2 4.24Å; M81-Y92 HydrophobicContact CB-CE2 3.94Å; M81-Y92 WeakPolarHBondContact O-CE2 3.41Å; M81-Y92 PolarHBondContact O-OH 3.33Å; L83-Y92 WeakPolarHBondContact CA-OH 3.5Å; L83-Y92 HydrophobicContact CD2-CE1 3.96Å; L83-Y92 PolarHBondContact N-OH 3.46Å; H86-Y92 HydrophobicContact CB-CD1 3.75Å; H86-Y92 HydrophobicContact CB-CD2 3.57Å; H86-Y92 HydrophobicContact CB-CE1 4.01Å; H86-Y92 HydrophobicContact CB-CE2 3.85Å; H86-Y92 HydrophobicContact CB-CG 3.51Å; H86-Y92 WeakPolarHBondContact O-CD1 3.29Å; N89-Y92 PolarHBondContact O-N 2.81Å; N89-Y92 PolarHBondContact OD1-N 2.91Å; Y92-M95 HydrophobicContact CD2-CE 3.94Å; Y92-M95 PolarHBondContact O-N 3.3Å; Y92-L96 HydrophobicContact CD1-CD1 3.95Å; Y92-L96 HydrophobicContact CD1-CG 4.39Å; Y92-L96 HydrophobicContact CE1-CD1 3.85Å; Y92-L96 HydrophobicContact CE1-CG 4.28Å; Y92-L96 PolarHBondContact O-N 2.81Å |
| 93 | A | 91.9 | Very high | 88 | Confident | 1 Ų | 1 | 44.2 Ų | 44.2 | 1% | 0.008 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62 | -42.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | N89 E90 M95 L96 V97 S122 F125 F127 V128 | N89-A93 PolarHBondContact O-N 3.19Å; E90-A93 PolarHBondContact O-N 2.92Å; A93-M95 PolarHBondContact O-N 3.13Å; A93-L96 PolarHBondContact O-N 3.22Å; A93-V97 WeakPolarHBondContact O-CG2 3.34Å; A93-V97 PolarHBondContact O-N 2.87Å; A93-V97 VanDerWaalsContact O-N 3.08Å; A93-S122 WeakPolarHBondContact CB-OG 3.46Å; A93-F125 HydrophobicContact CB-CD2 3.78Å; A93-F125 HydrophobicContact CB-CE2 4.09Å; A93-F125 HydrophobicContact CB-CG 4.23Å; A93-F127 HydrophobicContact CB-CE2 4.28Å; A93-F127 HydrophobicContact CB-CZ 3.76Å; A93-V128 HydrophobicContact CB-CG2 4.27Å |
| 94 | R | 92.9 | Very high | 88.5 | Confident | 71 Ų | 71 | 42.9 Ų | 42.9 | 27% | 0.268 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -60.7 | -41.3 | 171.5 | -79.6 | -161.6 | 178 | 83.8 | 8.4 | 112.2 | L48 E90 S91 L96 V97 R98 F127 E180 | L48-R94 HydrophobicContact CD1-CB 4.26Å; L48-R94 HydrophobicContact CD2-CB 3.92Å; E90-R94 PolarHBondContact O-N 3.01Å; E90-R94 IonicContact OE1-CZ 2.75Å; E90-R94 IonicContact OE1-NH1 3.23Å; E90-R94 PolarHBondContact OE1-NH1 3.41Å; E90-R94 IonicContact OE1-NH2 3.45Å; E90-R94 PolarHBondContact OE1-NH2 3.09Å; S91-R94 PolarHBondContact O-N 2.85Å; R94-L96 PolarHBondContact O-N 3.43Å; R94-V97 PolarHBondContact O-N 2.89Å; R94-R98 WeakPolarHBondContact O-CB 3.46Å; R94-R98 PolarHBondContact O-N 3.04Å; R94-F127 HydrophobicContact CB-CE2 4.34Å; R94-F127 HydrophobicContact CB-CZ 4.41Å; R94-F127 HydrophobicContact CG-CD2 4.43Å; R94-F127 HydrophobicContact CG-CE1 4.28Å; R94-F127 HydrophobicContact CG-CE2 3.66Å; R94-F127 HydrophobicContact CG-CZ 3.56Å; R94-E180 IonicContact CZ-OE1 2.67Å; R94-E180 IonicContact NE-OE1 3.05Å; R94-E180 IonicContact NE-OE2 3.22Å; R94-E180 IonicContact NH2-OE1 3.58Å; R94-E180 PolarHBondContact NH2-OE1 2.95Å; R94-E180 IonicContact NH2-OE2 2.69Å |
| 95 | M | 93.9 | Very high | 89.1 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -62.6 | -41 | 175.5 | -72.2 | -170.5 | -67.3 | 0 | 0 | 112.5 | P44 C47 L48 L51 Y74 V77 F78 S91 Y92 A93 R98 F99 | P44-M95 HydrophobicContact CB-CE 3.85Å; P44-M95 WeakPolarHBondContact O-CE 3.37Å; C47-M95 HydrophobicContact CB-CE 4.12Å; C47-M95 HydrophobicContact CB-SD 3.79Å; L48-M95 HydrophobicContact CB-CG 3.86Å; L48-M95 HydrophobicContact CB-SD 4.09Å; L48-M95 HydrophobicContact CD1-CG 3.71Å; L48-M95 HydrophobicContact CG-CG 4.34Å; L51-M95 HydrophobicContact CD1-SD 3.92Å; Y74-M95 HydrophobicContact CD1-CB 4.28Å; Y74-M95 HydrophobicContact CE1-CB 3.89Å; Y74-M95 HydrophobicContact CE1-CG 4Å; V77-M95 HydrophobicContact CG1-CE 4.06Å; V77-M95 HydrophobicContact CG1-SD 3.86Å; F78-M95 HydrophobicContact CE1-CB 4.11Å; F78-M95 HydrophobicContact CZ-CB 3.92Å; S91-M95 WeakPolarHBondContact O-CG 3.43Å; S91-M95 PolarHBondContact O-N 2.93Å; Y92-M95 HydrophobicContact CD2-CE 3.94Å; Y92-M95 PolarHBondContact O-N 3.3Å; A93-M95 PolarHBondContact O-N 3.13Å; M95-R98 PolarHBondContact O-N 3.36Å; M95-F99 VanDerWaalsContact O-CB 3.32Å; M95-F99 WeakPolarHBondContact O-CB 3.23Å; M95-F99 PolarHBondContact O-N 3.27Å |
| 96 | L | 92.8 | Very high | 89.4 | Confident | 9 Ų | 9 | 39.2 Ų | 39.2 | 5% | 0.047 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -63.3 | -44.5 | 177.4 | -73.4 | 171 | 0 | 0 | 0 | 112.1 | F78 L83 Y92 A93 R94 F99 A100 A118 | F78-L96 HydrophobicContact CD1-CD2 4.02Å; F78-L96 HydrophobicContact CE1-CD2 3.55Å; F78-L96 HydrophobicContact CE1-CG 3.91Å; F78-L96 HydrophobicContact CE2-CD2 4.43Å; F78-L96 HydrophobicContact CZ-CD2 3.79Å; F78-L96 HydrophobicContact CZ-CG 4.21Å; L83-L96 HydrophobicContact CD2-CD1 4.11Å; L83-L96 HydrophobicContact CD2-CD2 3.97Å; Y92-L96 HydrophobicContact CD1-CD1 3.95Å; Y92-L96 HydrophobicContact CD1-CG 4.39Å; Y92-L96 HydrophobicContact CE1-CD1 3.85Å; Y92-L96 HydrophobicContact CE1-CG 4.28Å; Y92-L96 PolarHBondContact O-N 2.81Å; A93-L96 PolarHBondContact O-N 3.22Å; R94-L96 PolarHBondContact O-N 3.43Å; L96-F99 PolarHBondContact O-N 3.45Å; L96-A100 PolarHBondContact O-N 2.87Å; L96-A100 VanDerWaalsContact O-N 3.13Å; L96-A118 HydrophobicContact CB-CB 3.94Å |
| 97 | V | 94.1 | Very high | 89.1 | Confident | 9 Ų | 9 | 41.2 Ų | 41.2 | 6% | 0.055 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -61.1 | -50.5 | 174.7 | 172.2 | 0 | 0 | 0 | 0 | 110.7 | A93 R94 F99 A100 E101 A118 F127 V128 A131 | A93-V97 WeakPolarHBondContact O-CG2 3.34Å; A93-V97 PolarHBondContact O-N 2.87Å; A93-V97 VanDerWaalsContact O-N 3.08Å; R94-V97 PolarHBondContact O-N 2.89Å; V97-F99 VanDerWaalsContact C-N 3.27Å; V97-F99 PolarHBondContact O-N 2.84Å; V97-A100 WeakPolarHBondContact O-CB 3.46Å; V97-A100 PolarHBondContact O-N 3.07Å; V97-E101 HydrophobicContact CG1-CG 4.45Å; V97-E101 WeakPolarHBondContact O-CG 3.19Å; V97-E101 PolarHBondContact O-N 2.69Å; V97-A118 HydrophobicContact CG2-CB 4.49Å; V97-F127 HydrophobicContact CG2-CD2 4.07Å; V97-F127 HydrophobicContact CG2-CE2 3.96Å; V97-V128 HydrophobicContact CG2-CB 3.94Å; V97-V128 HydrophobicContact CG2-CG1 3.82Å; V97-V128 HydrophobicContact CG2-CG2 3.76Å; V97-A131 HydrophobicContact CG1-CB 3.5Å; V97-A131 VanDerWaalsContact CG1-CB 3.5Å |
| 98 | R | 93.8 | Very high | 89.2 | Confident | 90 Ų | 90 | 42.7 Ų | 42.7 | 34% | 0.34 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -64.4 | -33.9 | -177.6 | -165.6 | 53.8 | 171.5 | -176 | 2.4 | 112.2 | E55 Y74 R94 M95 E101 L102 | E55-R98 IonicContact OE1-CZ 3.99Å; E55-R98 IonicContact OE1-NE 3.82Å; E55-R98 PolarHBondContact OE1-NE 3.43Å; E55-R98 IonicContact OE1-NH2 3.53Å; E55-R98 PolarHBondContact OE1-NH2 3.29Å; E55-R98 IonicContact OE2-CZ 3.8Å; E55-R98 IonicContact OE2-NE 2.93Å; E55-R98 PolarHBondContact OE2-NE 2.93Å; E55-R98 IonicContact OE2-NH2 3.38Å; Y74-R98 HydrophobicContact CE1-CB 4.39Å; Y74-R98 WeakPolarHBondContact OH-CG 3.44Å; R94-R98 WeakPolarHBondContact O-CB 3.46Å; R94-R98 PolarHBondContact O-N 3.04Å; M95-R98 PolarHBondContact O-N 3.36Å; R98-E101 WeakPolarHBondContact CD-OE2 3.49Å; R98-E101 IonicContact CZ-OE2 3.93Å; R98-E101 IonicContact NE-OE2 3.17Å; R98-E101 IonicContact NH1-OE2 2.69Å; R98-E101 PolarHBondContact NH1-OE2 3.29Å; R98-E101 PolarHBondContact O-N 3.29Å; R98-L102 HydrophobicContact CG-CD1 4.23Å; R98-L102 HydrophobicContact CG-CG 4.43Å; R98-L102 WeakPolarHBondContact O-CB 3.45Å; R98-L102 WeakPolarHBondContact O-CG 3.32Å; R98-L102 PolarHBondContact O-N 3.42Å |
| 99 | F | 93.6 | Very high | 88.8 | Confident | 20 Ų | 20 | 41.4 Ų | 41.4 | 9% | 0.088 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -64.4 | -40.2 | 172.8 | -174.6 | -116.5 | 0 | 0 | 0 | 112.8 | I71 Y74 F78 M95 L96 V97 L102 K103 N114 | I71-F99 HydrophobicContact CG2-CE2 3.9Å; Y74-F99 HydrophobicContact CD1-CB 4.11Å; Y74-F99 HydrophobicContact CD1-CD2 4.46Å; Y74-F99 HydrophobicContact CG-CB 4.42Å; Y74-F99 AromaticContact CG-CD2 3.98Å; Y74-F99 HydrophobicContact CG-CD2 3.98Å; F78-F99 HydrophobicContact CD2-CD1 4.36Å; F78-F99 HydrophobicContact CD2-CG 4.47Å; F78-F99 HydrophobicContact CE2-CB 3.75Å; F78-F99 AromaticContact CE2-CD1 3.88Å; F78-F99 HydrophobicContact CE2-CD1 3.88Å; F78-F99 HydrophobicContact CE2-CD2 4.18Å; F78-F99 HydrophobicContact CE2-CE1 4.49Å; F78-F99 AromaticContact CE2-CG 3.69Å; F78-F99 HydrophobicContact CE2-CG 3.69Å; F78-F99 HydrophobicContact CZ-CB 4.19Å; M95-F99 VanDerWaalsContact O-CB 3.32Å; M95-F99 WeakPolarHBondContact O-CB 3.23Å; M95-F99 PolarHBondContact O-N 3.27Å; L96-F99 PolarHBondContact O-N 3.45Å; V97-F99 VanDerWaalsContact C-N 3.27Å; V97-F99 PolarHBondContact O-N 2.84Å; F99-L102 PolarHBondContact O-N 3.27Å; F99-K103 WeakPolarHBondContact O-CB 3.47Å; F99-K103 WeakPolarHBondContact O-CG 3.22Å; F99-K103 PolarHBondContact O-N 2.72Å; F99-N114 WeakPolarHBondContact CD1-OD1 3.49Å; F99-N114 VanDerWaalsContact CE1-OD1 3.27Å; F99-N114 WeakPolarHBondContact CE1-OD1 3.47Å |
| 100 | A | 91.8 | Very high | 88 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -66 | -39.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | L96 V97 K103 A104 N114 F115 | L96-A100 PolarHBondContact O-N 2.87Å; L96-A100 VanDerWaalsContact O-N 3.13Å; V97-A100 WeakPolarHBondContact O-CB 3.46Å; V97-A100 PolarHBondContact O-N 3.07Å; A100-K103 WeakPolarHBondContact O-CB 3.34Å; A100-K103 PolarHBondContact O-N 3.1Å; A100-A104 PolarHBondContact O-N 3.28Å; A100-N114 HydrophobicContact CB-CB 3.7Å; A100-F115 HydrophobicContact CB-CB 4.47Å; A100-F115 HydrophobicContact CB-CD1 3.69Å; A100-F115 HydrophobicContact CB-CD2 3.78Å; A100-F115 HydrophobicContact CB-CE1 3.72Å; A100-F115 HydrophobicContact CB-CE2 3.79Å; A100-F115 HydrophobicContact CB-CG 3.71Å; A100-F115 HydrophobicContact CB-CZ 3.77Å |
| 101 | E | 90.9 | Very high | 87.6 | Confident | 54 Ų | 54 | 39.5 Ų | 39.5 | 25% | 0.252 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -64.1 | -47.6 | 173.2 | -67.9 | 172.5 | 170.4 | 0 | 0 | 112.2 | V97 R98 K103 A104 L105 F115 | V97-E101 HydrophobicContact CG1-CG 4.45Å; V97-E101 WeakPolarHBondContact O-CG 3.19Å; V97-E101 PolarHBondContact O-N 2.69Å; R98-E101 WeakPolarHBondContact CD-OE2 3.49Å; R98-E101 IonicContact CZ-OE2 3.93Å; R98-E101 IonicContact NE-OE2 3.17Å; R98-E101 IonicContact NH1-OE2 2.69Å; R98-E101 PolarHBondContact NH1-OE2 3.29Å; R98-E101 PolarHBondContact O-N 3.29Å; E101-K103 PolarHBondContact O-N 2.9Å; E101-A104 WeakPolarHBondContact O-CB 3.48Å; E101-A104 PolarHBondContact O-N 2.88Å; E101-L105 PolarHBondContact O-N 3.48Å; E101-F115 HydrophobicContact CG-CE1 4.3Å; E101-F115 HydrophobicContact CG-CZ 3.83Å |
| 102 | L | 89.3 | Confident | 87.4 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62 | -32.5 | 174.9 | -68.3 | 169.8 | 0 | 0 | 0 | 111.6 | L60 L67 L70 I71 Y74 R98 F99 L105 | L60-L102 HydrophobicContact CD1-CD2 3.53Å; L60-L102 HydrophobicContact CD2-CD2 4.46Å; L67-L102 HydrophobicContact CD1-CB 4.12Å; L67-L102 HydrophobicContact CD1-CD2 3.61Å; L67-L102 HydrophobicContact CD1-CG 4.45Å; L70-L102 HydrophobicContact CD2-CD1 3.69Å; L70-L102 HydrophobicContact CD2-CD2 3.94Å; L70-L102 HydrophobicContact CG-CD1 3.9Å; I71-L102 HydrophobicContact CD1-CB 4.46Å; I71-L102 HydrophobicContact CG1-CB 4.06Å; Y74-L102 HydrophobicContact CD2-CD1 3.8Å; Y74-L102 HydrophobicContact CE2-CD1 3.48Å; Y74-L102 VanDerWaalsContact CE2-CD1 3.48Å; R98-L102 HydrophobicContact CG-CD1 4.23Å; R98-L102 HydrophobicContact CG-CG 4.43Å; R98-L102 WeakPolarHBondContact O-CB 3.45Å; R98-L102 WeakPolarHBondContact O-CG 3.32Å; R98-L102 PolarHBondContact O-N 3.42Å; F99-L102 PolarHBondContact O-N 3.27Å; L102-L105 PolarHBondContact O-N 3.23Å |
| 103 | K | 87.8 | Confident | 87.1 | Confident | 26 Ų | 26 | 44.4 Ų | 44.4 | 11% | 0.113 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -68.7 | -37.8 | 170.9 | -85.5 | -71.1 | -176.6 | -179 | 0 | 112.8 | F99 A100 E101 L105 Q106 D107 E110 A111 | F99-K103 WeakPolarHBondContact O-CB 3.47Å; F99-K103 WeakPolarHBondContact O-CG 3.22Å; F99-K103 PolarHBondContact O-N 2.72Å; A100-K103 WeakPolarHBondContact O-CB 3.34Å; A100-K103 PolarHBondContact O-N 3.1Å; E101-K103 PolarHBondContact O-N 2.9Å; K103-L105 PolarHBondContact O-N 3.3Å; K103-Q106 WeakPolarHBondContact O-CA 3.36Å; K103-Q106 PolarHBondContact O-N 3.01Å; K103-D107 CarbonylContact O-C 3.57Å; K103-D107 PolarHBondContact O-N 3.18Å; K103-D107 VanDerWaalsContact O-O 3.13Å; K103-E110 HydrophobicContact CD-CB 4.4Å; K103-E110 WeakPolarHBondContact CD-OE2 3.31Å; K103-E110 WeakPolarHBondContact CE-OE2 3.4Å; K103-E110 IonicContact NZ-OE2 2.82Å; K103-E110 PolarHBondContact NZ-OE2 2.82Å; K103-A111 HydrophobicContact CB-CB 4.46Å |
| 104 | A | 87.1 | Confident | 87 | Confident | 27 Ų | 27 | 46.1 Ų | 46.1 | 22% | 0.223 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61.7 | -28.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | A100 E101 Q106 A111 F135 | A100-A104 PolarHBondContact O-N 3.28Å; E101-A104 WeakPolarHBondContact O-CB 3.48Å; E101-A104 PolarHBondContact O-N 2.88Å; A104-Q106 VanDerWaalsContact C-N 3.3Å; A104-A111 HydrophobicContact CB-CB 3.69Å; A104-F135 HydrophobicContact CB-CD2 4.08Å; A104-F135 HydrophobicContact CB-CE2 3.94Å |
| 105 | L | 84.5 | Confident | 87 | Confident | 81 Ų | 81 | 43 Ų | 43 | 42% | 0.424 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -13.6 | 171.4 | -59.6 | 179.7 | 0 | 0 | 0 | 114 | L61 L67 E101 L102 K103 | L61-L105 HydrophobicContact CD2-CD2 4.02Å; L67-L105 HydrophobicContact CD1-CB 4.49Å; L67-L105 HydrophobicContact CD1-CD1 4.45Å; L67-L105 HydrophobicContact CD2-CB 3.84Å; E101-L105 PolarHBondContact O-N 3.48Å; L102-L105 PolarHBondContact O-N 3.23Å; K103-L105 PolarHBondContact O-N 3.3Å |
| 106 | Q | 81.2 | Confident | 86.8 | Confident | 74 Ų | 74 | 46 Ų | 46 | 35% | 0.346 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106.1 | -52.8 | -178.5 | 175.6 | 169.4 | 82.6 | 0 | 0 | 112.4 | I71 K103 A104 | I71-Q106 HydrophobicContact CD1-CB 4.11Å; K103-Q106 WeakPolarHBondContact O-CA 3.36Å; K103-Q106 PolarHBondContact O-N 3.01Å; A104-Q106 VanDerWaalsContact C-N 3.3Å |
| 107 | D | 78.4 | Confident | 86.7 | Confident | 64 Ų | 64 | 48.2 Ų | 48.2 | 34% | 0.342 | 25% | 0.254 | S | S | . | . | trans | -150.8 | 116.5 | 170.9 | -167.2 | -26.7 | 0 | 0 | 0 | 109.6 | K103 N109 E110 A111 | K103-D107 CarbonylContact O-C 3.57Å; K103-D107 PolarHBondContact O-N 3.18Å; K103-D107 VanDerWaalsContact O-O 3.13Å; D107-N109 PolarHBondContact O-N 3.47Å; D107-N109 WeakPolarHBondContact OD1-CB 3.26Å; D107-N109 PolarHBondContact OD1-N 3.14Å; D107-N109 PolarHBondContact OD1-ND2 3.46Å; D107-E110 HydrophobicContact CB-CB 4.38Å; D107-E110 HydrophobicContact CB-CG 4.22Å; D107-E110 PolarHBondContact O-N 2.84Å; D107-E110 VanDerWaalsContact O-N 3.16Å; D107-A111 PolarHBondContact O-N 3.33Å | ||
| 108 | V | 78.9 | Confident | 86.5 | Confident | 55 Ų | 55 | 47.8 Ų | 47.8 | 33% | 0.333 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -56.5 | -33.7 | 177.8 | 176.1 | 0 | 0 | 0 | 0 | 112 | A111 F135 Q139 | V108-A111 WeakPolarHBondContact O-CB 3.42Å; V108-A111 PolarHBondContact O-N 3.28Å; V108-F135 HydrophobicContact CG1-CE2 4.09Å; V108-F135 HydrophobicContact CG1-CZ 3.97Å; V108-Q139 VanDerWaalsContact CG1-CD 3.5Å; V108-Q139 HydrophobicContact CG1-CG 4.21Å |
| 109 | N | 75.3 | Confident | 86.3 | Confident | 134 Ų | 134 | 44.4 Ų | 44.4 | 72% | 0.717 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -73.6 | -29.1 | -177.7 | -52.5 | -86.7 | 0 | 0 | 0 | 112.1 | D107 | D107-N109 PolarHBondContact O-N 3.47Å; D107-N109 WeakPolarHBondContact OD1-CB 3.26Å; D107-N109 PolarHBondContact OD1-N 3.14Å; D107-N109 PolarHBondContact OD1-ND2 3.46Å |
| 110 | E | 75.3 | Confident | 86 | Confident | 89 Ų | 89 | 46 Ų | 46 | 42% | 0.416 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -78.5 | -26.8 | 172.5 | -67.7 | -168.6 | 175.8 | 0 | 0 | 112 | K103 D107 E112 A113 N114 | K103-E110 HydrophobicContact CD-CB 4.4Å; K103-E110 WeakPolarHBondContact CD-OE2 3.31Å; K103-E110 WeakPolarHBondContact CE-OE2 3.4Å; K103-E110 IonicContact NZ-OE2 2.82Å; K103-E110 PolarHBondContact NZ-OE2 2.82Å; D107-E110 HydrophobicContact CB-CB 4.38Å; D107-E110 HydrophobicContact CB-CG 4.22Å; D107-E110 PolarHBondContact O-N 2.84Å; D107-E110 VanDerWaalsContact O-N 3.16Å; E110-E112 PolarHBondContact O-N 3.27Å; E110-A113 PolarHBondContact O-N 2.91Å; E110-N114 PolarHBondContact O-N 2.71Å; E110-N114 PolarHBondContact O-ND2 2.91Å |
| 111 | A | 82.7 | Confident | 85.7 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -64.7 | -40 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | K103 A104 D107 V108 A113 N114 F115 F135 | K103-A111 HydrophobicContact CB-CB 4.46Å; A104-A111 HydrophobicContact CB-CB 3.69Å; D107-A111 PolarHBondContact O-N 3.33Å; V108-A111 WeakPolarHBondContact O-CB 3.42Å; V108-A111 PolarHBondContact O-N 3.28Å; A111-A113 VanDerWaalsContact C-N 3.31Å; A111-A113 PolarHBondContact O-N 2.91Å; A111-N114 PolarHBondContact O-N 3.12Å; A111-F115 HydrophobicContact CB-CD2 4.38Å; A111-F115 HydrophobicContact CB-CE2 4.36Å; A111-F115 WeakPolarHBondContact O-CD2 3.41Å; A111-F115 PolarHBondContact O-N 3.01Å; A111-F135 HydrophobicContact CB-CE2 3.75Å; A111-F135 HydrophobicContact CB-CZ 3.82Å |
| 112 | E | 86.9 | Confident | 85.6 | Confident | 72 Ų | 72 | 47.4 Ų | 47.4 | 34% | 0.336 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -55.4 | -45 | 178.9 | -171 | -172.1 | 158.4 | 0 | 0 | 111.8 | E110 N114 F115 N116 F135 R144 | E110-E112 PolarHBondContact O-N 3.27Å; E112-N114 VanDerWaalsContact C-N 3.29Å; E112-N114 PolarHBondContact O-N 2.77Å; E112-F115 PolarHBondContact O-N 3.27Å; E112-N116 WeakPolarHBondContact O-CB 3.35Å; E112-N116 VanDerWaalsContact O-CG 3.25Å; E112-N116 PolarHBondContact O-N 3.5Å; E112-N116 PolarHBondContact O-ND2 3.11Å; E112-N116 VanDerWaalsContact O-ND2 3.17Å; E112-F135 HydrophobicContact CB-CE1 4.16Å; E112-R144 IonicContact OE1-CZ 3.47Å; E112-R144 IonicContact OE1-NH1 3.89Å; E112-R144 PolarHBondContact OE1-NH1 3.44Å; E112-R144 IonicContact OE1-NH2 2.67Å; E112-R144 PolarHBondContact OE1-NH2 3.49Å; E112-R144 IonicContact OE2-NH1 2.66Å |
| 113 | A | 86.8 | Confident | 85.5 | Confident | 56 Ų | 56 | 52.1 Ų | 52.1 | 46% | 0.463 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -62.2 | -36.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | E110 A111 V117 | E110-A113 PolarHBondContact O-N 2.91Å; A111-A113 VanDerWaalsContact C-N 3.31Å; A111-A113 PolarHBondContact O-N 2.91Å; A113-V117 WeakPolarHBondContact O-CG2 3.44Å; A113-V117 PolarHBondContact O-N 3.42Å |
| 114 | N | 89.9 | Confident | 85.4 | Confident | 38 Ų | 38 | 53.6 Ų | 53.6 | 20% | 0.203 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -74.8 | -38 | 178.8 | -71.8 | -84.5 | 0 | 0 | 0 | 112.1 | F99 A100 E110 A111 E112 V117 A118 | F99-N114 WeakPolarHBondContact CD1-OD1 3.49Å; F99-N114 VanDerWaalsContact CE1-OD1 3.27Å; F99-N114 WeakPolarHBondContact CE1-OD1 3.47Å; A100-N114 HydrophobicContact CB-CB 3.7Å; E110-N114 PolarHBondContact O-N 2.71Å; E110-N114 PolarHBondContact O-ND2 2.91Å; A111-N114 PolarHBondContact O-N 3.12Å; E112-N114 VanDerWaalsContact C-N 3.29Å; E112-N114 PolarHBondContact O-N 2.77Å; N114-V117 PolarHBondContact O-N 3.27Å; N114-A118 WeakPolarHBondContact O-CB 3.45Å; N114-A118 PolarHBondContact O-N 3.48Å |
| 115 | F | 92.7 | Very high | 85.7 | Confident | 4 Ų | 4 | 53.6 Ų | 53.6 | 2% | 0.018 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -65.6 | -38.6 | 171.1 | -79.9 | -66.8 | 0 | 0 | 0 | 112.2 | A100 E101 A111 E112 A118 T119 A131 H132 F135 | A100-F115 HydrophobicContact CB-CB 4.47Å; A100-F115 HydrophobicContact CB-CD1 3.69Å; A100-F115 HydrophobicContact CB-CD2 3.78Å; A100-F115 HydrophobicContact CB-CE1 3.72Å; A100-F115 HydrophobicContact CB-CE2 3.79Å; A100-F115 HydrophobicContact CB-CG 3.71Å; A100-F115 HydrophobicContact CB-CZ 3.77Å; E101-F115 HydrophobicContact CG-CE1 4.3Å; E101-F115 HydrophobicContact CG-CZ 3.83Å; A111-F115 HydrophobicContact CB-CD2 4.38Å; A111-F115 HydrophobicContact CB-CE2 4.36Å; A111-F115 WeakPolarHBondContact O-CD2 3.41Å; A111-F115 PolarHBondContact O-N 3.01Å; E112-F115 PolarHBondContact O-N 3.27Å; F115-A118 PolarHBondContact O-N 2.93Å; F115-T119 PolarHBondContact O-N 2.93Å; F115-T119 PolarHBondContact O-OG1 3.23Å; F115-A131 HydrophobicContact CE1-CB 4.07Å; F115-H132 HydrophobicContact CB-CB 4.15Å; F115-H132 HydrophobicContact CD1-CB 3.95Å; F115-H132 HydrophobicContact CG-CB 4.29Å; F115-F135 HydrophobicContact CD2-CB 3.97Å; F115-F135 AromaticContact CD2-CD1 3.73Å; F115-F135 HydrophobicContact CD2-CD1 3.73Å; F115-F135 HydrophobicContact CD2-CD2 4.16Å; F115-F135 HydrophobicContact CD2-CE1 4.28Å; F115-F135 AromaticContact CD2-CG 3.66Å; F115-F135 HydrophobicContact CD2-CG 3.66Å; F115-F135 HydrophobicContact CE2-CB 3.59Å; F115-F135 HydrophobicContact CE2-CD1 4.04Å; F115-F135 AromaticContact CE2-CD2 3.66Å; F115-F135 HydrophobicContact CE2-CD2 3.66Å; F115-F135 HydrophobicContact CE2-CE2 4.37Å; F115-F135 AromaticContact CE2-CG 3.47Å; F115-F135 HydrophobicContact CE2-CG 3.47Å; F115-F135 VanDerWaalsContact CE2-CG 3.47Å; F115-F135 HydrophobicContact CZ-CB 3.91Å; F115-F135 HydrophobicContact CZ-CG 4.29Å |
| 116 | N | 89.8 | Confident | 85.9 | Confident | 64 Ų | 64 | 49.8 Ų | 49.8 | 34% | 0.342 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -58.4 | -48.9 | 171.6 | -74.9 | -33.9 | 0 | 0 | 0 | 111.1 | E112 A118 T119 A120 H132 | E112-N116 WeakPolarHBondContact O-CB 3.35Å; E112-N116 VanDerWaalsContact O-CG 3.25Å; E112-N116 PolarHBondContact O-N 3.5Å; E112-N116 PolarHBondContact O-ND2 3.11Å; E112-N116 VanDerWaalsContact O-ND2 3.17Å; N116-A118 PolarHBondContact O-N 3.25Å; N116-T119 PolarHBondContact O-N 3.34Å; N116-T119 PolarHBondContact O-OG1 3.49Å; N116-A120 WeakPolarHBondContact O-CB 3.32Å; N116-A120 PolarHBondContact O-N 3.28Å; N116-H132 PolarHBondContact OD1-CE1 2.97Å; N116-H132 VanDerWaalsContact OD1-CE1 3.28Å |
| 117 | V | 89.8 | Confident | 86.5 | Confident | 55 Ų | 55 | 47.9 Ų | 47.9 | 33% | 0.333 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -58.1 | -46.1 | 174.7 | 167.4 | 0 | 0 | 0 | 0 | 111.7 | L83 A113 N114 A120 H121 | L83-V117 HydrophobicContact CD2-CG1 4.43Å; A113-V117 WeakPolarHBondContact O-CG2 3.44Å; A113-V117 PolarHBondContact O-N 3.42Å; N114-V117 PolarHBondContact O-N 3.27Å; V117-A120 PolarHBondContact O-N 2.86Å; V117-H121 PolarHBondContact O-CD2 3.13Å; V117-H121 PolarHBondContact O-N 3.39Å |
| 118 | A | 89.9 | Confident | 87.2 | Confident | 1 Ų | 1 | 44.9 Ų | 44.9 | 1% | 0.008 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -60.4 | -51.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | L96 V97 N114 F115 N116 A120 H121 S122 V128 | L96-A118 HydrophobicContact CB-CB 3.94Å; V97-A118 HydrophobicContact CG2-CB 4.49Å; N114-A118 WeakPolarHBondContact O-CB 3.45Å; N114-A118 PolarHBondContact O-N 3.48Å; F115-A118 PolarHBondContact O-N 2.93Å; N116-A118 PolarHBondContact O-N 3.25Å; A118-A120 VanDerWaalsContact C-N 3.34Å; A118-A120 PolarHBondContact O-N 3.18Å; A118-H121 PolarHBondContact O-N 3.45Å; A118-S122 WeakPolarHBondContact O-CB 3.48Å; A118-S122 PolarHBondContact O-N 2.59Å; A118-V128 VanDerWaalsContact C-CG1 3.49Å; A118-V128 HydrophobicContact CB-CG1 3.84Å |
| 119 | T | 89.4 | Confident | 87.9 | Confident | 19 Ų | 19 | 42.9 Ų | 42.9 | 12% | 0.117 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -64.3 | -34.9 | 177.8 | 49.5 | 0 | 0 | 0 | 0 | 113.1 | F115 N116 Q123 V128 H132 | F115-T119 PolarHBondContact O-N 2.93Å; F115-T119 PolarHBondContact O-OG1 3.23Å; N116-T119 PolarHBondContact O-N 3.34Å; N116-T119 PolarHBondContact O-OG1 3.49Å; T119-Q123 WeakPolarHBondContact O-CG 3.38Å; T119-Q123 PolarHBondContact O-N 3.04Å; T119-V128 HydrophobicContact CG2-CG1 3.9Å; T119-H132 HydrophobicContact CG2-CB 3.86Å; T119-H132 VanDerWaalsContact CG2-ND1 3.35Å; T119-H132 WeakPolarHBondContact CG2-ND1 3.47Å; T119-H132 PolarHBondContact OG1-ND1 3.48Å |
| 120 | A | 88.3 | Confident | 88.7 | Confident | 53 Ų | 53 | 37.2 Ų | 37.2 | 44% | 0.438 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -70.5 | -37.7 | -180 | 0 | 0 | 0 | 0 | 0 | 113.2 | N116 V117 A118 Q123 | N116-A120 WeakPolarHBondContact O-CB 3.32Å; N116-A120 PolarHBondContact O-N 3.28Å; V117-A120 PolarHBondContact O-N 2.86Å; A118-A120 VanDerWaalsContact C-N 3.34Å; A118-A120 PolarHBondContact O-N 3.18Å; A120-Q123 PolarHBondContact O-NE2 3.34Å |
| 121 | H | 84.4 | Confident | 89.5 | Confident | 82 Ų | 82 | 33.4 Ų | 33.4 | 38% | 0.38 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -96.1 | -17.9 | -176.5 | -70.7 | -71.3 | 0 | 0 | 0 | 114.9 | C87 V117 A118 | C87-H121 VanDerWaalsContact CB-O 3.24Å; C87-H121 WeakPolarHBondContact CB-O 3.28Å; V117-H121 PolarHBondContact O-CD2 3.13Å; V117-H121 PolarHBondContact O-N 3.39Å; A118-H121 PolarHBondContact O-N 3.45Å |
| 122 | S | 88.8 | Confident | 90 | Very high | 1 Ų | 1 | 33.6 Ų | 33.6 | 1% | 0.007 | 19% | 0.192 | C | C | . | . | trans | -124.9 | 37.6 | -178.3 | -67.2 | 0 | 0 | 0 | 0 | 112.5 | C87 A93 A118 S124 F125 | C87-S122 PolarHBondContact O-OG 3.34Å; A93-S122 WeakPolarHBondContact CB-OG 3.46Å; A118-S122 WeakPolarHBondContact O-CB 3.48Å; A118-S122 PolarHBondContact O-N 2.59Å; S122-S124 PolarHBondContact O-N 3.17Å; S122-F125 PolarHBondContact O-N 3.3Å; S122-F125 VanDerWaalsContact O-N 3.09Å | ||
| 123 | Q | 86.9 | Confident | 90.3 | Very high | 99 Ų | 99 | 30.2 Ų | 30.2 | 46% | 0.463 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -49.7 | -32 | -175.8 | -67.4 | 176.6 | 37.4 | 0 | 0 | 115 | T119 A120 F125 H129 A157 | T119-Q123 WeakPolarHBondContact O-CG 3.38Å; T119-Q123 PolarHBondContact O-N 3.04Å; A120-Q123 PolarHBondContact O-NE2 3.34Å; Q123-F125 VanDerWaalsContact C-N 3.25Å; Q123-F125 PolarHBondContact O-N 2.9Å; Q123-H129 PolarHBondContact O-NE2 3.34Å; Q123-A157 WeakPolarHBondContact O-CB 3.14Å |
| 124 | S | 86.8 | Confident | 90.4 | Very high | 57 Ų | 57 | 30.7 Ų | 30.7 | 40% | 0.399 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -16 | -177.8 | 51.1 | 0 | 0 | 0 | 0 | 114.7 | S122 A157 K158 | S122-S124 PolarHBondContact O-N 3.17Å; S124-A157 WeakPolarHBondContact O-CA 3.33Å; S124-K158 PolarHBondContact O-N 2.77Å |
| 125 | F | 92.4 | Very high | 90.6 | Very high | 28 Ų | 28 | 29.6 Ų | 29.6 | 12% | 0.123 | 16% | 0.162 | C | C | . | . | B | Isolated β-bridge | trans | -101.8 | 116 | -171.3 | -64.6 | -77.5 | 0 | 0 | 0 | 111.7 | E90 A93 S122 Q123 F127 V128 H129 | E90-F125 HydrophobicContact CB-CD1 4.4Å; E90-F125 HydrophobicContact CB-CE1 3.63Å; E90-F125 HydrophobicContact CB-CZ 3.98Å; E90-F125 HydrophobicContact CG-CD1 3.99Å; E90-F125 HydrophobicContact CG-CE1 3.67Å; E90-F125 HydrophobicContact CG-CZ 4.46Å; A93-F125 HydrophobicContact CB-CD2 3.78Å; A93-F125 HydrophobicContact CB-CE2 4.09Å; A93-F125 HydrophobicContact CB-CG 4.23Å; S122-F125 PolarHBondContact O-N 3.3Å; S122-F125 VanDerWaalsContact O-N 3.09Å; Q123-F125 VanDerWaalsContact C-N 3.25Å; Q123-F125 PolarHBondContact O-N 2.9Å; F125-F127 VanDerWaalsContact C-N 3.34Å; F125-F127 HydrophobicContact CB-CD1 4.11Å; F125-F127 HydrophobicContact CB-CE1 3.71Å; F125-F127 HydrophobicContact CB-CZ 4.07Å; F125-F127 AromaticContact CD1-CE1 3.9Å; F125-F127 HydrophobicContact CD1-CE1 3.9Å; F125-F127 HydrophobicContact CG-CE1 4.03Å; F125-F127 HydrophobicContact CG-CZ 4.34Å; F125-F127 PolarHBondContact O-N 2.96Å; F125-V128 HydrophobicContact CB-CG2 3.71Å; F125-V128 WeakPolarHBondContact O-CB 3.36Å; F125-V128 PolarHBondContact O-N 2.83Å; F125-H129 PolarHBondContact O-CD2 3.03Å |
| 126 | A | 90.1 | Very high | 90.5 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -58.2 | -40.8 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | V128 H129 V130 K158 P159 P162 L163 | A126-V128 PolarHBondContact O-N 2.94Å; A126-H129 PolarHBondContact O-N 3.37Å; A126-V130 WeakPolarHBondContact O-CG2 3.29Å; A126-V130 PolarHBondContact O-N 2.96Å; A126-K158 VanDerWaalsContact CB-C 3.45Å; A126-K158 VanDerWaalsContact CB-O 3.32Å; A126-K158 WeakPolarHBondContact CB-O 3.18Å; A126-K158 PolarHBondContact N-O 3.36Å; A126-P159 WeakPolarHBondContact CB-O 3.47Å; A126-P162 HydrophobicContact CB-CG 4.27Å; A126-L163 HydrophobicContact CB-CD1 3.82Å; A126-L163 HydrophobicContact CB-CD2 4.28Å; A126-L163 HydrophobicContact CB-CG 3.77Å |
| 127 | F | 93 | Very high | 90.3 | Very high | 35 Ų | 35 | 28.1 Ų | 28.1 | 15% | 0.154 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -60.7 | -30.2 | -177.6 | 66.8 | -100.2 | 0 | 0 | 0 | 112.7 | E90 A93 R94 V97 F125 V130 A131 | E90-F127 HydrophobicContact CG-CE1 4Å; E90-F127 HydrophobicContact CG-CZ 4.42Å; A93-F127 HydrophobicContact CB-CE2 4.28Å; A93-F127 HydrophobicContact CB-CZ 3.76Å; R94-F127 HydrophobicContact CB-CE2 4.34Å; R94-F127 HydrophobicContact CB-CZ 4.41Å; R94-F127 HydrophobicContact CG-CD2 4.43Å; R94-F127 HydrophobicContact CG-CE1 4.28Å; R94-F127 HydrophobicContact CG-CE2 3.66Å; R94-F127 HydrophobicContact CG-CZ 3.56Å; V97-F127 HydrophobicContact CG2-CD2 4.07Å; V97-F127 HydrophobicContact CG2-CE2 3.96Å; F125-F127 VanDerWaalsContact C-N 3.34Å; F125-F127 HydrophobicContact CB-CD1 4.11Å; F125-F127 HydrophobicContact CB-CE1 3.71Å; F125-F127 HydrophobicContact CB-CZ 4.07Å; F125-F127 AromaticContact CD1-CE1 3.9Å; F125-F127 HydrophobicContact CD1-CE1 3.9Å; F125-F127 HydrophobicContact CG-CE1 4.03Å; F125-F127 HydrophobicContact CG-CZ 4.34Å; F125-F127 PolarHBondContact O-N 2.96Å; F127-V130 PolarHBondContact O-N 2.87Å; F127-A131 WeakPolarHBondContact O-CB 3.43Å; F127-A131 PolarHBondContact O-N 3.4Å |
| 128 | V | 93.6 | Very high | 90.1 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -64 | -44.8 | 178.9 | -174.4 | 0 | 0 | 0 | 0 | 110.9 | A93 V97 A118 T119 F125 A126 H132 | A93-V128 HydrophobicContact CB-CG2 4.27Å; V97-V128 HydrophobicContact CG2-CB 3.94Å; V97-V128 HydrophobicContact CG2-CG1 3.82Å; V97-V128 HydrophobicContact CG2-CG2 3.76Å; A118-V128 VanDerWaalsContact C-CG1 3.49Å; A118-V128 HydrophobicContact CB-CG1 3.84Å; T119-V128 HydrophobicContact CG2-CG1 3.9Å; F125-V128 HydrophobicContact CB-CG2 3.71Å; F125-V128 WeakPolarHBondContact O-CB 3.36Å; F125-V128 PolarHBondContact O-N 2.83Å; A126-V128 PolarHBondContact O-N 2.94Å; V128-H132 PolarHBondContact O-N 3.07Å; V128-H132 VanDerWaalsContact O-N 3.13Å |
| 129 | H | 93.4 | Very high | 90 | Very high | 14 Ų | 14 | 33.2 Ų | 33.2 | 7% | 0.065 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -73.6 | -34.7 | 176.9 | -57.2 | -76.6 | 0 | 0 | 0 | 112.3 | Q123 F125 A126 A133 I148 A152 L163 | Q123-H129 PolarHBondContact O-NE2 3.34Å; F125-H129 PolarHBondContact O-CD2 3.03Å; A126-H129 PolarHBondContact O-N 3.37Å; H129-A133 VanDerWaalsContact O-CB 3.25Å; H129-A133 WeakPolarHBondContact O-CB 3.37Å; H129-A133 PolarHBondContact O-N 3.21Å; H129-I148 HydrophobicContact CB-CG2 4.12Å; H129-I148 WeakPolarHBondContact O-CG2 3.43Å; H129-A152 HydrophobicContact CB-CB 3.53Å; H129-A152 VanDerWaalsContact CG-CB 3.45Å; H129-L163 HydrophobicContact CB-CD2 4.16Å |
| 130 | V | 91.7 | Very high | 89.7 | Confident | 15 Ų | 15 | 34.1 Ų | 34.1 | 9% | 0.091 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -62.5 | -44.7 | 173.7 | 174.7 | 0 | 0 | 0 | 0 | 111 | A126 F127 A133 Q134 L149 L163 A166 | A126-V130 WeakPolarHBondContact O-CG2 3.29Å; A126-V130 PolarHBondContact O-N 2.96Å; F127-V130 PolarHBondContact O-N 2.87Å; V130-A133 PolarHBondContact O-N 2.88Å; V130-Q134 HydrophobicContact CG1-CG 4.41Å; V130-Q134 WeakPolarHBondContact O-CB 3.42Å; V130-Q134 VanDerWaalsContact O-CG 3.26Å; V130-Q134 WeakPolarHBondContact O-CG 3.47Å; V130-Q134 PolarHBondContact O-N 2.97Å; V130-L149 HydrophobicContact CG2-CD2 4.08Å; V130-L163 HydrophobicContact CG2-CD2 3.82Å; V130-A166 HydrophobicContact CG1-CB 4.33Å; V130-A166 HydrophobicContact CG2-CB 4.28Å |
| 131 | A | 92.3 | Very high | 89.6 | Confident | 8 Ų | 8 | 35.2 Ų | 35.2 | 7% | 0.066 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -65.2 | -45.4 | 178 | 0 | 0 | 0 | 0 | 0 | 112.2 | V97 F115 F127 A133 Q134 F135 | V97-A131 HydrophobicContact CG1-CB 3.5Å; V97-A131 VanDerWaalsContact CG1-CB 3.5Å; F115-A131 HydrophobicContact CE1-CB 4.07Å; F127-A131 WeakPolarHBondContact O-CB 3.43Å; F127-A131 PolarHBondContact O-N 3.4Å; A131-A133 PolarHBondContact O-N 2.94Å; A131-Q134 PolarHBondContact O-N 3.45Å; A131-F135 PolarHBondContact O-N 3.06Å |
| 132 | H | 93.8 | Very high | 89.7 | Confident | 5 Ų | 5 | 36.8 Ų | 36.8 | 2% | 0.023 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -61.2 | -42.4 | 174.8 | -172.3 | 177.4 | 0 | 0 | 0 | 111.5 | F115 N116 T119 V128 Q134 F135 E136 I148 | F115-H132 HydrophobicContact CB-CB 4.15Å; F115-H132 HydrophobicContact CD1-CB 3.95Å; F115-H132 HydrophobicContact CG-CB 4.29Å; N116-H132 PolarHBondContact OD1-CE1 2.97Å; N116-H132 VanDerWaalsContact OD1-CE1 3.28Å; T119-H132 HydrophobicContact CG2-CB 3.86Å; T119-H132 VanDerWaalsContact CG2-ND1 3.35Å; T119-H132 WeakPolarHBondContact CG2-ND1 3.47Å; T119-H132 PolarHBondContact OG1-ND1 3.48Å; V128-H132 PolarHBondContact O-N 3.07Å; V128-H132 VanDerWaalsContact O-N 3.13Å; H132-Q134 PolarHBondContact O-N 3.01Å; H132-F135 PolarHBondContact O-N 3.34Å; H132-E136 IonicContact NE2-OE1 2.7Å; H132-E136 PolarHBondContact O-N 2.77Å; H132-I148 HydrophobicContact CB-CG2 4.39Å |
| 133 | A | 91.7 | Very high | 89.5 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -64.9 | -38.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | H129 V130 A131 E136 H137 A145 I148 L149 M170 | H129-A133 VanDerWaalsContact O-CB 3.25Å; H129-A133 WeakPolarHBondContact O-CB 3.37Å; H129-A133 PolarHBondContact O-N 3.21Å; V130-A133 PolarHBondContact O-N 2.88Å; A131-A133 PolarHBondContact O-N 2.94Å; A133-E136 PolarHBondContact O-N 3.44Å; A133-H137 VanDerWaalsContact O-CB 3.24Å; A133-H137 WeakPolarHBondContact O-CB 3.25Å; A133-H137 PolarHBondContact O-N 3.45Å; A133-A145 HydrophobicContact CB-CB 4.27Å; A133-A145 WeakPolarHBondContact CB-O 3.5Å; A133-A145 WeakPolarHBondContact O-CB 3.25Å; A133-I148 HydrophobicContact CB-CB 4.34Å; A133-I148 HydrophobicContact CB-CG2 4.16Å; A133-L149 HydrophobicContact CB-CD1 4.05Å; A133-L149 HydrophobicContact CB-CD2 3.84Å; A133-L149 HydrophobicContact CB-CG 3.64Å; A133-M170 HydrophobicContact CB-CE 4.05Å |
| 134 | Q | 90 | Very high | 89.6 | Confident | 66 Ų | 66 | 45.1 Ų | 45.1 | 31% | 0.308 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -65.3 | -39.9 | 174.3 | -75.8 | 174.8 | 6.2 | 0 | 0 | 111.8 | V130 A131 H132 H137 S138 M170 M176 | V130-Q134 HydrophobicContact CG1-CG 4.41Å; V130-Q134 WeakPolarHBondContact O-CB 3.42Å; V130-Q134 VanDerWaalsContact O-CG 3.26Å; V130-Q134 WeakPolarHBondContact O-CG 3.47Å; V130-Q134 PolarHBondContact O-N 2.97Å; A131-Q134 PolarHBondContact O-N 3.45Å; H132-Q134 PolarHBondContact O-N 3.01Å; Q134-H137 PolarHBondContact O-N 3.05Å; Q134-S138 PolarHBondContact O-N 2.77Å; Q134-M170 HydrophobicContact CG-CE 4.4Å; Q134-M176 HydrophobicContact CG-CB 4.35Å; Q134-M176 HydrophobicContact CG-CG 4.39Å |
| 135 | F | 93 | Very high | 89.6 | Confident | 15 Ų | 15 | 42.4 Ų | 42.4 | 7% | 0.066 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -59.3 | -53.8 | 172 | 171.5 | -101.7 | 0 | 0 | 0 | 111.2 | A104 V108 A111 E112 F115 A131 H132 H137 S138 Q139 | A104-F135 HydrophobicContact CB-CD2 4.08Å; A104-F135 HydrophobicContact CB-CE2 3.94Å; V108-F135 HydrophobicContact CG1-CE2 4.09Å; V108-F135 HydrophobicContact CG1-CZ 3.97Å; A111-F135 HydrophobicContact CB-CE2 3.75Å; A111-F135 HydrophobicContact CB-CZ 3.82Å; E112-F135 HydrophobicContact CB-CE1 4.16Å; F115-F135 HydrophobicContact CD2-CB 3.97Å; F115-F135 AromaticContact CD2-CD1 3.73Å; F115-F135 HydrophobicContact CD2-CD1 3.73Å; F115-F135 HydrophobicContact CD2-CD2 4.16Å; F115-F135 HydrophobicContact CD2-CE1 4.28Å; F115-F135 AromaticContact CD2-CG 3.66Å; F115-F135 HydrophobicContact CD2-CG 3.66Å; F115-F135 HydrophobicContact CE2-CB 3.59Å; F115-F135 HydrophobicContact CE2-CD1 4.04Å; F115-F135 AromaticContact CE2-CD2 3.66Å; F115-F135 HydrophobicContact CE2-CD2 3.66Å; F115-F135 HydrophobicContact CE2-CE2 4.37Å; F115-F135 AromaticContact CE2-CG 3.47Å; F115-F135 HydrophobicContact CE2-CG 3.47Å; F115-F135 VanDerWaalsContact CE2-CG 3.47Å; F115-F135 HydrophobicContact CZ-CB 3.91Å; F115-F135 HydrophobicContact CZ-CG 4.29Å; A131-F135 PolarHBondContact O-N 3.06Å; H132-F135 PolarHBondContact O-N 3.34Å; F135-H137 VanDerWaalsContact C-N 3.29Å; F135-H137 PolarHBondContact O-N 3.43Å; F135-S138 WeakPolarHBondContact O-CA 3.3Å; F135-S138 WeakPolarHBondContact O-CB 3.43Å; F135-S138 PolarHBondContact O-N 3.4Å; F135-S138 PolarHBondContact O-OG 2.82Å; F135-Q139 HydrophobicContact CE1-CG 4.36Å; F135-Q139 HydrophobicContact CE2-CG 4.24Å; F135-Q139 HydrophobicContact CZ-CG 4.06Å; F135-Q139 PolarHBondContact O-N 2.83Å; F135-Q139 VanDerWaalsContact O-N 3.13Å |
| 136 | E | 90.8 | Very high | 89.4 | Confident | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -59.7 | -38.1 | 177.9 | -74 | -68.3 | 168.9 | 0 | 0 | 112.7 | H132 A133 Q139 G140 N141 R144 A145 I148 | H132-E136 IonicContact NE2-OE1 2.7Å; H132-E136 PolarHBondContact O-N 2.77Å; A133-E136 PolarHBondContact O-N 3.44Å; E136-Q139 PolarHBondContact O-N 2.92Å; E136-G140 PolarHBondContact O-N 3.1Å; E136-N141 HydrophobicContact CB-CB 4.3Å; E136-N141 WeakPolarHBondContact O-CB 3.42Å; E136-N141 PolarHBondContact O-N 3.31Å; E136-N141 WeakPolarHBondContact OE2-CB 3.48Å; E136-N141 PolarHBondContact OE2-ND2 3.5Å; E136-R144 VanDerWaalsContact CD-CD 3.42Å; E136-R144 HydrophobicContact CG-CG 4.09Å; E136-R144 WeakPolarHBondContact OE1-CD 3.29Å; E136-R144 IonicContact OE1-CZ 3.26Å; E136-R144 IonicContact OE1-NE 3.57Å; E136-R144 PolarHBondContact OE1-NE 3.45Å; E136-R144 IonicContact OE1-NH1 3.74Å; E136-R144 PolarHBondContact OE1-NH1 2.98Å; E136-R144 IonicContact OE1-NH2 3.87Å; E136-R144 PolarHBondContact OE1-NH2 2.94Å; E136-R144 WeakPolarHBondContact OE2-CD 3.45Å; E136-R144 IonicContact OE2-NE 2.66Å; E136-A145 HydrophobicContact CB-CB 4.06Å; E136-I148 HydrophobicContact CB-CD1 4.42Å; E136-I148 HydrophobicContact CG-CD1 3.76Å |
| 137 | H | 87.4 | Confident | 89.4 | Confident | 37 Ų | 37 | 47.6 Ų | 47.6 | 17% | 0.171 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -64.1 | -37.8 | 173 | -175.7 | -70.2 | 0 | 0 | 0 | 112 | A133 Q134 F135 Q139 G140 F142 A145 M170 | A133-H137 VanDerWaalsContact O-CB 3.24Å; A133-H137 WeakPolarHBondContact O-CB 3.25Å; A133-H137 PolarHBondContact O-N 3.45Å; Q134-H137 PolarHBondContact O-N 3.05Å; F135-H137 VanDerWaalsContact C-N 3.29Å; F135-H137 PolarHBondContact O-N 3.43Å; H137-Q139 PolarHBondContact O-N 3.05Å; H137-G140 PolarHBondContact O-N 2.92Å; H137-G140 VanDerWaalsContact O-N 3.09Å; H137-F142 AromaticContact CD2-CD1 3.66Å; H137-F142 AromaticContact CD2-CE1 3.92Å; H137-F142 AromaticContact CE1-CE1 3.76Å; H137-F142 AromaticContact NE2-CD1 3.69Å; H137-F142 AromaticContact NE2-CE1 3.58Å; H137-A145 HydrophobicContact CB-CB 4.06Å; H137-M170 HydrophobicContact CB-CE 3.84Å |
| 138 | S | 84.7 | Confident | 89.4 | Confident | 79 Ų | 79 | 46.9 Ų | 46.9 | 55% | 0.552 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -64.5 | -29 | 174.8 | 79.8 | 0 | 0 | 0 | 0 | 112.8 | Q134 F135 G140 | Q134-S138 PolarHBondContact O-N 2.77Å; F135-S138 WeakPolarHBondContact O-CA 3.3Å; F135-S138 WeakPolarHBondContact O-CB 3.43Å; F135-S138 PolarHBondContact O-N 3.4Å; F135-S138 PolarHBondContact O-OG 2.82Å; S138-G140 VanDerWaalsContact C-N 3.29Å |
| 139 | Q | 86.9 | Confident | 89.2 | Confident | 84 Ų | 84 | 46.9 Ų | 46.9 | 39% | 0.393 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85 | 2.6 | 174.7 | -55.7 | -46.5 | -52.9 | 0 | 0 | 113.4 | V108 F135 E136 H137 N141 | V108-Q139 VanDerWaalsContact CG1-CD 3.5Å; V108-Q139 HydrophobicContact CG1-CG 4.21Å; F135-Q139 HydrophobicContact CE1-CG 4.36Å; F135-Q139 HydrophobicContact CE2-CG 4.24Å; F135-Q139 HydrophobicContact CZ-CG 4.06Å; F135-Q139 PolarHBondContact O-N 2.83Å; F135-Q139 VanDerWaalsContact O-N 3.13Å; E136-Q139 PolarHBondContact O-N 2.92Å; H137-Q139 PolarHBondContact O-N 3.05Å; Q139-N141 VanDerWaalsContact C-N 3.3Å; Q139-N141 PolarHBondContact O-N 3.29Å |
| 140 | G | 83.7 | Confident | 89 | Confident | 37 Ų | 37 | 49.8 Ų | 49.8 | 38% | 0.381 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 78.6 | 8.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | E136 H137 S138 F142 | E136-G140 PolarHBondContact O-N 3.1Å; H137-G140 PolarHBondContact O-N 2.92Å; H137-G140 VanDerWaalsContact O-N 3.09Å; S138-G140 VanDerWaalsContact C-N 3.29Å; G140-F142 WeakPolarHBondContact O-CD2 3.38Å; G140-F142 WeakPolarHBondContact O-CE2 3.4Å; G140-F142 PolarHBondContact O-N 2.72Å |
| 141 | N | 87 | Confident | 88.9 | Confident | 76 Ų | 76 | 52.6 Ų | 52.6 | 41% | 0.406 | 26% | 0.263 | S | S | . | . | trans | -84.5 | 49.8 | -179.2 | -67.4 | -30 | 0 | 0 | 0 | 111.9 | E136 Q139 K143 R144 A145 | E136-N141 HydrophobicContact CB-CB 4.3Å; E136-N141 WeakPolarHBondContact O-CB 3.42Å; E136-N141 PolarHBondContact O-N 3.31Å; E136-N141 WeakPolarHBondContact OE2-CB 3.48Å; E136-N141 PolarHBondContact OE2-ND2 3.5Å; Q139-N141 VanDerWaalsContact C-N 3.3Å; Q139-N141 PolarHBondContact O-N 3.29Å; N141-K143 PolarHBondContact O-N 2.84Å; N141-R144 HydrophobicContact CB-CB 4.13Å; N141-R144 WeakPolarHBondContact O-CA 3.19Å; N141-R144 WeakPolarHBondContact O-CB 3.47Å; N141-R144 PolarHBondContact O-N 2.81Å; N141-A145 PolarHBondContact O-N 2.76Å | ||
| 142 | F | 85.8 | Confident | 88.7 | Confident | 116 Ų | 116 | 52.2 Ų | 52.2 | 51% | 0.509 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -48.1 | -39.2 | -172.6 | -56.4 | -81.2 | 0 | 0 | 0 | 114.4 | H137 G140 I146 | H137-F142 AromaticContact CD2-CD1 3.66Å; H137-F142 AromaticContact CD2-CE1 3.92Å; H137-F142 AromaticContact CE1-CE1 3.76Å; H137-F142 AromaticContact NE2-CD1 3.69Å; H137-F142 AromaticContact NE2-CE1 3.58Å; G140-F142 WeakPolarHBondContact O-CD2 3.38Å; G140-F142 WeakPolarHBondContact O-CE2 3.4Å; G140-F142 PolarHBondContact O-N 2.72Å; F142-I146 WeakPolarHBondContact O-CG1 3.36Å; F142-I146 PolarHBondContact O-N 2.94Å; F142-I146 VanDerWaalsContact O-N 3.1Å |
| 143 | K | 85.6 | Confident | 88.4 | Confident | 191 Ų | 191 | 54.4 Ų | 54.4 | 83% | 0.83 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -65.5 | -40 | 177.4 | -66.2 | -174.3 | 178.9 | -177.1 | 0 | 112.7 | N141 Q147 | N141-K143 PolarHBondContact O-N 2.84Å; K143-Q147 WeakPolarHBondContact O-CB 3.41Å; K143-Q147 PolarHBondContact O-N 2.89Å |
| 144 | R | 87.5 | Confident | 88.2 | Confident | 84 Ų | 84 | 61.8 Ų | 61.8 | 32% | 0.317 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -71.7 | -40.8 | 178.8 | -176.1 | 171.1 | 169.1 | 178.8 | 1.4 | 110.9 | E112 E136 N141 I146 Q147 I148 | E112-R144 IonicContact OE1-CZ 3.47Å; E112-R144 IonicContact OE1-NH1 3.89Å; E112-R144 PolarHBondContact OE1-NH1 3.44Å; E112-R144 IonicContact OE1-NH2 2.67Å; E112-R144 PolarHBondContact OE1-NH2 3.49Å; E112-R144 IonicContact OE2-NH1 2.66Å; E136-R144 VanDerWaalsContact CD-CD 3.42Å; E136-R144 HydrophobicContact CG-CG 4.09Å; E136-R144 WeakPolarHBondContact OE1-CD 3.29Å; E136-R144 IonicContact OE1-CZ 3.26Å; E136-R144 IonicContact OE1-NE 3.57Å; E136-R144 PolarHBondContact OE1-NE 3.45Å; E136-R144 IonicContact OE1-NH1 3.74Å; E136-R144 PolarHBondContact OE1-NH1 2.98Å; E136-R144 IonicContact OE1-NH2 3.87Å; E136-R144 PolarHBondContact OE1-NH2 2.94Å; E136-R144 WeakPolarHBondContact OE2-CD 3.45Å; E136-R144 IonicContact OE2-NE 2.66Å; N141-R144 HydrophobicContact CB-CB 4.13Å; N141-R144 WeakPolarHBondContact O-CA 3.19Å; N141-R144 WeakPolarHBondContact O-CB 3.47Å; N141-R144 PolarHBondContact O-N 2.81Å; R144-I146 PolarHBondContact O-N 3.18Å; R144-Q147 PolarHBondContact O-N 2.96Å; R144-I148 HydrophobicContact CG-CD1 4.05Å; R144-I148 VanDerWaalsContact O-CG1 3.32Å; R144-I148 WeakPolarHBondContact O-CG1 3.35Å; R144-I148 PolarHBondContact O-N 3.21Å |
| 145 | A | 87.4 | Confident | 87.9 | Confident | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -56.8 | -46.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | A133 E136 H137 N141 I148 L149 M170 | A133-A145 HydrophobicContact CB-CB 4.27Å; A133-A145 WeakPolarHBondContact CB-O 3.5Å; A133-A145 WeakPolarHBondContact O-CB 3.25Å; E136-A145 HydrophobicContact CB-CB 4.06Å; H137-A145 HydrophobicContact CB-CB 4.06Å; N141-A145 PolarHBondContact O-N 2.76Å; A145-I148 PolarHBondContact O-N 2.79Å; A145-L149 PolarHBondContact O-N 3.35Å; A145-M170 HydrophobicContact CB-CE 4.25Å; A145-M170 HydrophobicContact CB-SD 3.8Å |
| 146 | I | 88.6 | Confident | 87.6 | Confident | 39 Ų | 39 | 64.7 Ų | 64.7 | 20% | 0.2 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -64.4 | -43.6 | 175.2 | -69.9 | 163.7 | 0 | 0 | 0 | 111.3 | F142 R144 I148 L149 Q150 M170 Q171 | F142-I146 WeakPolarHBondContact O-CG1 3.36Å; F142-I146 PolarHBondContact O-N 2.94Å; F142-I146 VanDerWaalsContact O-N 3.1Å; R144-I146 PolarHBondContact O-N 3.18Å; I146-I148 VanDerWaalsContact C-N 3.34Å; I146-I148 PolarHBondContact O-N 3.11Å; I146-L149 PolarHBondContact O-N 3.35Å; I146-Q150 HydrophobicContact CG2-CG 4.37Å; I146-Q150 WeakPolarHBondContact O-CG 3.48Å; I146-Q150 PolarHBondContact O-N 2.93Å; I146-M170 HydrophobicContact CG1-CB 4.22Å; I146-Q171 HydrophobicContact CD1-CG 4.49Å |
| 147 | Q | 90.8 | Very high | 87.5 | Confident | 98 Ų | 98 | 64.6 Ų | 64.6 | 46% | 0.458 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -60.3 | -41.2 | 177.8 | -170.1 | 69.2 | 63.3 | 0 | 0 | 112.2 | K143 R144 L149 Q150 N151 | K143-Q147 WeakPolarHBondContact O-CB 3.41Å; K143-Q147 PolarHBondContact O-N 2.89Å; R144-Q147 PolarHBondContact O-N 2.96Å; Q147-L149 VanDerWaalsContact C-N 3.35Å; Q147-L149 PolarHBondContact O-N 3.44Å; Q147-Q150 PolarHBondContact O-N 3.28Å; Q147-N151 PolarHBondContact NE2-OD1 3.1Å; Q147-N151 WeakPolarHBondContact O-CB 3.36Å; Q147-N151 PolarHBondContact O-N 3.22Å; Q147-N151 PolarHBondContact O-OD1 2.92Å |
| 148 | I | 91.1 | Very high | 87.4 | Confident | 19 Ų | 19 | 68.4 Ų | 68.4 | 10% | 0.097 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -59.6 | -45.4 | 176.2 | -70.8 | 159.9 | 0 | 0 | 0 | 110.8 | H129 H132 A133 E136 R144 A145 I146 Q150 N151 A152 | H129-I148 HydrophobicContact CB-CG2 4.12Å; H129-I148 WeakPolarHBondContact O-CG2 3.43Å; H132-I148 HydrophobicContact CB-CG2 4.39Å; A133-I148 HydrophobicContact CB-CB 4.34Å; A133-I148 HydrophobicContact CB-CG2 4.16Å; E136-I148 HydrophobicContact CB-CD1 4.42Å; E136-I148 HydrophobicContact CG-CD1 3.76Å; R144-I148 HydrophobicContact CG-CD1 4.05Å; R144-I148 VanDerWaalsContact O-CG1 3.32Å; R144-I148 WeakPolarHBondContact O-CG1 3.35Å; R144-I148 PolarHBondContact O-N 3.21Å; A145-I148 PolarHBondContact O-N 2.79Å; I146-I148 VanDerWaalsContact C-N 3.34Å; I146-I148 PolarHBondContact O-N 3.11Å; I148-Q150 VanDerWaalsContact C-N 3.33Å; I148-Q150 PolarHBondContact O-N 2.78Å; I148-N151 PolarHBondContact O-N 2.99Å; I148-A152 VanDerWaalsContact O-CB 3.32Å; I148-A152 WeakPolarHBondContact O-CB 3.48Å; I148-A152 PolarHBondContact O-N 2.82Å |
| 149 | L | 90.8 | Very high | 87.6 | Confident | 0 Ų | 0 | 68.2 Ų | 68.2 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -68.4 | -30 | 177.8 | -64.8 | 174.7 | 0 | 0 | 0 | 113.1 | V130 A133 A145 I146 Q147 L153 L163 A166 L167 M170 | V130-L149 HydrophobicContact CG2-CD2 4.08Å; A133-L149 HydrophobicContact CB-CD1 4.05Å; A133-L149 HydrophobicContact CB-CD2 3.84Å; A133-L149 HydrophobicContact CB-CG 3.64Å; A145-L149 PolarHBondContact O-N 3.35Å; I146-L149 PolarHBondContact O-N 3.35Å; Q147-L149 VanDerWaalsContact C-N 3.35Å; Q147-L149 PolarHBondContact O-N 3.44Å; L149-L153 WeakPolarHBondContact O-CG 3.19Å; L149-L153 PolarHBondContact O-N 3.46Å; L149-L163 HydrophobicContact CD2-CD2 3.79Å; L149-A166 HydrophobicContact CD1-CB 3.83Å; L149-A166 HydrophobicContact CD2-CB 4.21Å; L149-L167 HydrophobicContact CB-CB 4.23Å; L149-L167 HydrophobicContact CB-CD1 4.06Å; L149-L167 HydrophobicContact CD1-CB 4.1Å; L149-M170 HydrophobicContact CD1-CE 4.35Å; L149-M170 HydrophobicContact CD1-SD 3.68Å |
| 150 | Q | 89 | Confident | 87.4 | Confident | 76 Ų | 76 | 67.8 Ų | 67.8 | 36% | 0.355 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -69.8 | -50.8 | 173.1 | -71.9 | 175.1 | -51.7 | 0 | 0 | 111 | I146 Q147 I148 A152 L153 E154 L167 | I146-Q150 HydrophobicContact CG2-CG 4.37Å; I146-Q150 WeakPolarHBondContact O-CG 3.48Å; I146-Q150 PolarHBondContact O-N 2.93Å; Q147-Q150 PolarHBondContact O-N 3.28Å; I148-Q150 VanDerWaalsContact C-N 3.33Å; I148-Q150 PolarHBondContact O-N 2.78Å; Q150-A152 PolarHBondContact O-N 3.32Å; Q150-L153 WeakPolarHBondContact O-CB 3.28Å; Q150-L153 PolarHBondContact O-N 3.08Å; Q150-E154 PolarHBondContact O-N 2.81Å; Q150-E154 VanDerWaalsContact O-N 3.16Å; Q150-L167 HydrophobicContact CG-CD1 3.76Å |
| 151 | N | 89.2 | Confident | 87.6 | Confident | 73 Ų | 73 | 72.6 Ų | 72.6 | 39% | 0.39 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -57 | -38.4 | 175.7 | -64.5 | 13.8 | 0 | 0 | 0 | 111.6 | Q147 I148 L153 E154 V155 | Q147-N151 PolarHBondContact NE2-OD1 3.1Å; Q147-N151 WeakPolarHBondContact O-CB 3.36Å; Q147-N151 PolarHBondContact O-N 3.22Å; Q147-N151 PolarHBondContact O-OD1 2.92Å; I148-N151 PolarHBondContact O-N 2.99Å; N151-L153 VanDerWaalsContact C-N 3.31Å; N151-L153 PolarHBondContact O-N 3.47Å; N151-E154 WeakPolarHBondContact O-CB 3.41Å; N151-E154 PolarHBondContact O-N 2.67Å; N151-V155 PolarHBondContact O-N 2.61Å |
| 152 | A | 89.1 | Confident | 87.5 | Confident | 0 Ų | 0 | 70.8 Ų | 70.8 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -61.9 | -34 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | H129 I148 Q150 A157 L163 | H129-A152 HydrophobicContact CB-CB 3.53Å; H129-A152 VanDerWaalsContact CG-CB 3.45Å; I148-A152 VanDerWaalsContact O-CB 3.32Å; I148-A152 WeakPolarHBondContact O-CB 3.48Å; I148-A152 PolarHBondContact O-N 2.82Å; Q150-A152 PolarHBondContact O-N 3.32Å; A152-A157 VanDerWaalsContact O-CB 3.27Å; A152-A157 WeakPolarHBondContact O-CB 3.22Å; A152-A157 PolarHBondContact O-N 3.29Å; A152-L163 HydrophobicContact CB-CD1 4.03Å; A152-L163 HydrophobicContact CB-CD2 3.68Å |
| 153 | L | 87.4 | Confident | 87.4 | Confident | 52 Ų | 52 | 65.2 Ų | 65.2 | 27% | 0.272 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -75.3 | -31.2 | 175.1 | -70.4 | 168.2 | 0 | 0 | 0 | 112.1 | L149 Q150 N151 D156 L163 V164 L167 | L149-L153 WeakPolarHBondContact O-CG 3.19Å; L149-L153 PolarHBondContact O-N 3.46Å; Q150-L153 WeakPolarHBondContact O-CB 3.28Å; Q150-L153 PolarHBondContact O-N 3.08Å; N151-L153 VanDerWaalsContact C-N 3.31Å; N151-L153 PolarHBondContact O-N 3.47Å; L153-D156 PolarHBondContact O-N 3.31Å; L153-L163 HydrophobicContact CD2-CB 3.83Å; L153-L163 HydrophobicContact CD2-CD1 4.08Å; L153-L163 HydrophobicContact CG-CB 4.25Å; L153-L163 HydrophobicContact CG-CD1 4.5Å; L153-V164 HydrophobicContact CD2-CG2 4.13Å; L153-L167 HydrophobicContact CD1-CD1 4.11Å |
| 154 | E | 86.4 | Confident | 87.4 | Confident | 155 Ų | 155 | 58.9 Ų | 58.9 | 72% | 0.724 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -69.5 | -38 | 175.3 | -67.4 | 177.4 | 177 | 0 | 0 | 112.3 | Q150 N151 D156 | Q150-E154 PolarHBondContact O-N 2.81Å; Q150-E154 VanDerWaalsContact O-N 3.16Å; N151-E154 WeakPolarHBondContact O-CB 3.41Å; N151-E154 PolarHBondContact O-N 2.67Å; E154-D156 PolarHBondContact O-N 3.04Å |
| 155 | V | 84.3 | Confident | 87.3 | Confident | 68 Ų | 68 | 56.9 Ų | 56.9 | 41% | 0.412 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | 14.6 | 176 | -55.6 | 0 | 0 | 0 | 0 | 114.4 | N151 A157 | N151-V155 PolarHBondContact O-N 2.61Å; V155-A157 HydrophobicContact CG2-CB 4.28Å; V155-A157 PolarHBondContact O-N 2.8Å |
| 156 | D | 86.7 | Confident | 87.1 | Confident | 73 Ų | 73 | 56.9 Ų | 56.9 | 39% | 0.39 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.1 | 30.2 | 177.9 | -161.2 | 48.4 | 0 | 0 | 0 | 114.9 | L153 E154 K158 K160 | L153-D156 PolarHBondContact O-N 3.31Å; E154-D156 PolarHBondContact O-N 3.04Å; D156-K158 WeakPolarHBondContact O-CE 3.45Å; D156-K158 WeakPolarHBondContact OD2-CE 3.35Å; D156-K158 IonicContact OD2-NZ 2.74Å; D156-K158 PolarHBondContact OD2-NZ 3.12Å; D156-K160 WeakPolarHBondContact OD1-CE 3.46Å; D156-K160 IonicContact OD1-NZ 3.73Å; D156-K160 PolarHBondContact OD1-NZ 2.85Å |
| 157 | A | 87.6 | Confident | 87 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 29% | 0.292 | C | S | . | . | trans | -62.5 | 143.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q123 S124 A152 V155 K160 L163 | Q123-A157 WeakPolarHBondContact O-CB 3.14Å; S124-A157 WeakPolarHBondContact O-CA 3.33Å; A152-A157 VanDerWaalsContact O-CB 3.27Å; A152-A157 WeakPolarHBondContact O-CB 3.22Å; A152-A157 PolarHBondContact O-N 3.29Å; V155-A157 HydrophobicContact CG2-CB 4.28Å; V155-A157 PolarHBondContact O-N 2.8Å; A157-K160 WeakPolarHBondContact O-CG 3.25Å; A157-L163 HydrophobicContact CB-CD1 3.99Å | ||
| 158 | K | 86.3 | Confident | 86.6 | Confident | 117 Ų | 117 | 57.1 Ų | 57.1 | 51% | 0.509 | 30% | 0.296 | S | S | . | . | B | Isolated β-bridge | trans | -128 | 151.5 | -169.2 | -76.4 | 153 | -168.3 | 155 | 0 | 112.7 | S124 A126 D156 | S124-K158 PolarHBondContact O-N 2.77Å; A126-K158 VanDerWaalsContact CB-C 3.45Å; A126-K158 VanDerWaalsContact CB-O 3.32Å; A126-K158 WeakPolarHBondContact CB-O 3.18Å; A126-K158 PolarHBondContact N-O 3.36Å; D156-K158 WeakPolarHBondContact O-CE 3.45Å; D156-K158 WeakPolarHBondContact OD2-CE 3.35Å; D156-K158 IonicContact OD2-NZ 2.74Å; D156-K158 PolarHBondContact OD2-NZ 3.12Å |
| 159 | P | 88.5 | Confident | 86.2 | Confident | 75 Ų | 75 | 57.5 Ų | 57.5 | 49% | 0.487 | 30% | 0.3 | S | S | . | . | cis | -66.6 | 150.6 | -11.8 | 26.7 | -32.8 | 0 | 0 | 0 | 112.6 | A126 E161 P162 | A126-P159 WeakPolarHBondContact CB-O 3.47Å; P159-E161 WeakPolarHBondContact CB-OE2 2.91Å; P159-P162 HydrophobicContact CG-CG 3.94Å; P159-P162 WeakPolarHBondContact O-CD 3.49Å; P159-P162 WeakPolarHBondContact O-CG 3.24Å | ||
| 160 | K | 83.3 | Confident | 85.6 | Confident | 74 Ų | 74 | 58.2 Ų | 58.2 | 32% | 0.322 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -81 | -24 | -174.7 | -72 | -166.7 | 177.9 | -168.4 | 0 | 113.2 | D156 A157 L163 V164 | D156-K160 WeakPolarHBondContact OD1-CE 3.46Å; D156-K160 IonicContact OD1-NZ 3.73Å; D156-K160 PolarHBondContact OD1-NZ 2.85Å; A157-K160 WeakPolarHBondContact O-CG 3.25Å; K160-L163 WeakPolarHBondContact O-CB 3.09Å; K160-L163 PolarHBondContact O-N 3.24Å; K160-L163 VanDerWaalsContact O-N 3.13Å; K160-V164 WeakPolarHBondContact O-CG2 3.44Å; K160-V164 PolarHBondContact O-N 3.1Å |
| 161 | E | 86.5 | Confident | 85 | Confident | 138 Ų | 138 | 60.3 Ų | 60.3 | 65% | 0.645 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -54 | -51.2 | -178 | -64.6 | 65.9 | -149 | 0 | 0 | 112.2 | P159 L163 V164 A165 | P159-E161 WeakPolarHBondContact CB-OE2 2.91Å; E161-L163 PolarHBondContact O-N 3.17Å; E161-V164 PolarHBondContact O-N 3.44Å; E161-A165 WeakPolarHBondContact O-CB 3.43Å; E161-A165 PolarHBondContact O-N 3.07Å |
| 162 | P | 84.8 | Confident | 84.2 | Confident | 38 Ų | 38 | 59.5 Ų | 59.5 | 25% | 0.247 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -67.9 | -29.3 | 175.4 | 26.5 | -36.2 | 0 | 0 | 0 | 114.2 | A126 P159 A166 | A126-P162 HydrophobicContact CB-CG 4.27Å; P159-P162 HydrophobicContact CG-CG 3.94Å; P159-P162 WeakPolarHBondContact O-CD 3.49Å; P159-P162 WeakPolarHBondContact O-CG 3.24Å; P162-A166 WeakPolarHBondContact O-CB 3.48Å; P162-A166 PolarHBondContact O-N 3.01Å |
| 163 | L | 84.8 | Confident | 82.9 | Confident | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -66.6 | -47.6 | 175.3 | -69.4 | 168.6 | 0 | 0 | 0 | 110.9 | A126 H129 V130 L149 A152 L153 A157 K160 E161 A166 L167 | A126-L163 HydrophobicContact CB-CD1 3.82Å; A126-L163 HydrophobicContact CB-CD2 4.28Å; A126-L163 HydrophobicContact CB-CG 3.77Å; H129-L163 HydrophobicContact CB-CD2 4.16Å; V130-L163 HydrophobicContact CG2-CD2 3.82Å; L149-L163 HydrophobicContact CD2-CD2 3.79Å; A152-L163 HydrophobicContact CB-CD1 4.03Å; A152-L163 HydrophobicContact CB-CD2 3.68Å; L153-L163 HydrophobicContact CD2-CB 3.83Å; L153-L163 HydrophobicContact CD2-CD1 4.08Å; L153-L163 HydrophobicContact CG-CB 4.25Å; L153-L163 HydrophobicContact CG-CD1 4.5Å; A157-L163 HydrophobicContact CB-CD1 3.99Å; K160-L163 WeakPolarHBondContact O-CB 3.09Å; K160-L163 PolarHBondContact O-N 3.24Å; K160-L163 VanDerWaalsContact O-N 3.13Å; E161-L163 PolarHBondContact O-N 3.17Å; L163-A166 PolarHBondContact O-N 3Å; L163-L167 VanDerWaalsContact O-CB 3.23Å; L163-L167 WeakPolarHBondContact O-CB 3.46Å; L163-L167 PolarHBondContact O-N 3.38Å |
| 164 | V | 85.2 | Confident | 81.7 | Confident | 58 Ų | 58 | 68.4 Ų | 68.4 | 35% | 0.352 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -64 | -42.3 | 177 | 175.9 | 0 | 0 | 0 | 0 | 110.7 | L153 K160 E161 L167 Q168 | L153-V164 HydrophobicContact CD2-CG2 4.13Å; K160-V164 WeakPolarHBondContact O-CG2 3.44Å; K160-V164 PolarHBondContact O-N 3.1Å; E161-V164 PolarHBondContact O-N 3.44Å; V164-L167 PolarHBondContact O-N 2.74Å; V164-Q168 HydrophobicContact CG1-CG 4.46Å; V164-Q168 WeakPolarHBondContact O-CB 3.39Å; V164-Q168 VanDerWaalsContact O-CG 3.26Å; V164-Q168 WeakPolarHBondContact O-CG 3.5Å; V164-Q168 PolarHBondContact O-N 3.24Å |
| 165 | A | 85.2 | Confident | 80 | Confident | 41 Ų | 41 | 66.8 Ų | 66.8 | 34% | 0.339 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -64.2 | -44.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | E161 Q168 S169 | E161-A165 WeakPolarHBondContact O-CB 3.43Å; E161-A165 PolarHBondContact O-N 3.07Å; A165-Q168 PolarHBondContact O-N 3.17Å; A165-S169 WeakPolarHBondContact O-CB 3.45Å; A165-S169 PolarHBondContact O-N 2.97Å |
| 166 | A | 83.8 | Confident | 78.4 | Confident | 1 Ų | 1 | 65.6 Ų | 65.6 | 1% | 0.008 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -63 | -44.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | V130 L149 P162 L163 S169 M170 M176 | V130-A166 HydrophobicContact CG1-CB 4.33Å; V130-A166 HydrophobicContact CG2-CB 4.28Å; L149-A166 HydrophobicContact CD1-CB 3.83Å; L149-A166 HydrophobicContact CD2-CB 4.21Å; P162-A166 WeakPolarHBondContact O-CB 3.48Å; P162-A166 PolarHBondContact O-N 3.01Å; L163-A166 PolarHBondContact O-N 3Å; A166-S169 PolarHBondContact O-N 3.46Å; A166-M170 WeakPolarHBondContact O-CG 3.4Å; A166-M170 PolarHBondContact O-N 2.77Å; A166-M176 HydrophobicContact CB-CE 3.81Å; A166-M176 HydrophobicContact CB-SD 4.32Å |
| 167 | L | 86.4 | Confident | 76.2 | Confident | 22 Ų | 22 | 69.2 Ų | 69.2 | 12% | 0.115 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -65 | -42.2 | 179.9 | -177.5 | 148.2 | 0 | 0 | 0 | 111.4 | L149 Q150 L153 L163 V164 Q171 | L149-L167 HydrophobicContact CB-CB 4.23Å; L149-L167 HydrophobicContact CB-CD1 4.06Å; L149-L167 HydrophobicContact CD1-CB 4.1Å; Q150-L167 HydrophobicContact CG-CD1 3.76Å; L153-L167 HydrophobicContact CD1-CD1 4.11Å; L163-L167 VanDerWaalsContact O-CB 3.23Å; L163-L167 WeakPolarHBondContact O-CB 3.46Å; L163-L167 PolarHBondContact O-N 3.38Å; V164-L167 PolarHBondContact O-N 2.74Å; L167-Q171 WeakPolarHBondContact O-CB 3.23Å; L167-Q171 VanDerWaalsContact O-CG 3.27Å; L167-Q171 WeakPolarHBondContact O-CG 3.43Å; L167-Q171 PolarHBondContact O-N 2.98Å |
| 168 | Q | 83.2 | Confident | 73.8 | Confident | 120 Ų | 120 | 72.7 Ų | 72.7 | 56% | 0.561 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -64.1 | -40.3 | 173 | -73.6 | 176.1 | 7.1 | 0 | 0 | 112.4 | V164 A165 Q171 A172 | V164-Q168 HydrophobicContact CG1-CG 4.46Å; V164-Q168 WeakPolarHBondContact O-CB 3.39Å; V164-Q168 VanDerWaalsContact O-CG 3.26Å; V164-Q168 WeakPolarHBondContact O-CG 3.5Å; V164-Q168 PolarHBondContact O-N 3.24Å; A165-Q168 PolarHBondContact O-N 3.17Å; Q168-Q171 PolarHBondContact O-N 3.43Å; Q168-A172 VanDerWaalsContact O-CB 3.26Å; Q168-A172 WeakPolarHBondContact O-CB 3.44Å; Q168-A172 PolarHBondContact O-N 3.05Å |
| 169 | S | 81.6 | Confident | 71.4 | Confident | 26 Ų | 26 | 73.3 Ų | 73.3 | 18% | 0.182 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -65.2 | -44.4 | 178.7 | -165.6 | 0 | 0 | 0 | 0 | 112.2 | A165 A166 A172 G173 R174 M176 | A165-S169 WeakPolarHBondContact O-CB 3.45Å; A165-S169 PolarHBondContact O-N 2.97Å; A166-S169 PolarHBondContact O-N 3.46Å; S169-A172 CarbonylContact O-C 3.59Å; S169-A172 PolarHBondContact O-N 3.35Å; S169-G173 PolarHBondContact O-N 3.08Å; S169-R174 PolarHBondContact O-N 3.33Å; S169-R174 PolarHBondContact OG-O 3.47Å; S169-M176 WeakPolarHBondContact CB-SD 3.46Å |
| 170 | M | 78.3 | Confident | 68.9 | Low | 16 Ų | 16 | 75.2 Ų | 75.2 | 8% | 0.079 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -66.4 | -40.8 | 176.2 | -70.8 | -173.2 | 177.8 | 0 | 0 | 112.4 | A133 Q134 H137 A145 I146 L149 A166 A172 G173 | A133-M170 HydrophobicContact CB-CE 4.05Å; Q134-M170 HydrophobicContact CG-CE 4.4Å; H137-M170 HydrophobicContact CB-CE 3.84Å; A145-M170 HydrophobicContact CB-CE 4.25Å; A145-M170 HydrophobicContact CB-SD 3.8Å; I146-M170 HydrophobicContact CG1-CB 4.22Å; L149-M170 HydrophobicContact CD1-CE 4.35Å; L149-M170 HydrophobicContact CD1-SD 3.68Å; A166-M170 WeakPolarHBondContact O-CG 3.4Å; A166-M170 PolarHBondContact O-N 2.77Å; M170-A172 VanDerWaalsContact C-N 3.25Å; M170-A172 PolarHBondContact O-N 3.39Å; M170-G173 PolarHBondContact O-N 3.21Å; M170-G173 VanDerWaalsContact O-N 3.11Å |
| 171 | Q | 77.3 | Confident | 66.5 | Low | 119 Ų | 119 | 78.3 Ų | 78.3 | 56% | 0.556 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -65.4 | -28.7 | 173.1 | -73.9 | 178.2 | -8 | 0 | 0 | 112.7 | I146 L167 Q168 G173 | I146-Q171 HydrophobicContact CD1-CG 4.49Å; L167-Q171 WeakPolarHBondContact O-CB 3.23Å; L167-Q171 VanDerWaalsContact O-CG 3.27Å; L167-Q171 WeakPolarHBondContact O-CG 3.43Å; L167-Q171 PolarHBondContact O-N 2.98Å; Q168-Q171 PolarHBondContact O-N 3.43Å; Q171-G173 VanDerWaalsContact C-N 3.3Å |
| 172 | A | 71.8 | Confident | 63.8 | Low | 57 Ų | 57 | 81.1 Ų | 81.1 | 47% | 0.471 | 44% | 0.441 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | 5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q168 S169 M170 R174 | Q168-A172 VanDerWaalsContact O-CB 3.26Å; Q168-A172 WeakPolarHBondContact O-CB 3.44Å; Q168-A172 PolarHBondContact O-N 3.05Å; S169-A172 CarbonylContact O-C 3.59Å; S169-A172 PolarHBondContact O-N 3.35Å; M170-A172 VanDerWaalsContact C-N 3.25Å; M170-A172 PolarHBondContact O-N 3.39Å; A172-R174 VanDerWaalsContact C-N 3.3Å; A172-R174 HydrophobicContact CB-CG 4.24Å; A172-R174 PolarHBondContact O-N 3.07Å |
| 173 | G | 61 | Low | 61.3 | Low | 66 Ų | 66 | 87.7 Ų | 87.7 | 68% | 0.68 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66 | 25 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115 | S169 M170 Q171 | S169-G173 PolarHBondContact O-N 3.08Å; M170-G173 PolarHBondContact O-N 3.21Å; M170-G173 VanDerWaalsContact O-N 3.11Å; Q171-G173 VanDerWaalsContact C-N 3.3Å |
| 174 | R | 62.3 | Low | 58.8 | Low | 172 Ų | 172 | 94 Ų | 94 | 65% | 0.649 | 50% | 0.502 | S | S | * | . | P | Polyproline II helix | trans | -100.8 | 134.1 | -177.8 | -53.9 | -175.9 | -164.6 | -174.2 | 6 | 111.2 | S169 A172 M176 | S169-R174 PolarHBondContact O-N 3.33Å; S169-R174 PolarHBondContact OG-O 3.47Å; A172-R174 VanDerWaalsContact C-N 3.3Å; A172-R174 HydrophobicContact CB-CG 4.24Å; A172-R174 PolarHBondContact O-N 3.07Å; R174-M176 PolarHBondContact O-N 2.9Å |
| 175 | T | 51 | Low | 55.9 | Low | 121 Ų | 121 | 101.1 Ų | 101.1 | 74% | 0.742 | 53% | 0.529 | S | S | * | . | P | Polyproline II helix | trans | -59.8 | 127.2 | 169.2 | -44.5 | 0 | 0 | 0 | 0 | 109.9 | ||
| 176 | M | 51.1 | Low | 53.1 | Low | 43 Ų | 43 | 104.9 Ų | 104.9 | 21% | 0.212 | 55% | 0.55 | C | S | . | . | P | Polyproline II helix | trans | -65.2 | 138.1 | 175.2 | -74.6 | -68.5 | -72.7 | 0 | 0 | 110.9 | Q134 A166 S169 R174 | Q134-M176 HydrophobicContact CG-CB 4.35Å; Q134-M176 HydrophobicContact CG-CG 4.39Å; A166-M176 HydrophobicContact CB-CE 3.81Å; A166-M176 HydrophobicContact CB-SD 4.32Å; S169-M176 WeakPolarHBondContact CB-SD 3.46Å; R174-M176 PolarHBondContact O-N 2.9Å |
| 177 | I | 40.2 | Very low | 50.3 | Low | 150 Ų | 150 | 109.9 Ų | 109.9 | 77% | 0.769 | 59% | 0.585 | S | S | * | * | P | Polyproline II helix | trans | -101.1 | 143.4 | 162.8 | -61 | 176.8 | 0 | 0 | 0 | 106.7 | ||
| 178 | C | 36.9 | Very low | 47.3 | Very low | 72 Ų | 72 | 117 Ų | 117 | 49% | 0.486 | 62% | 0.622 | S | S | . | * | P | Polyproline II helix | trans | -58 | 144.4 | 178.9 | -173 | 0 | 0 | 0 | 0 | 111.6 | D181 | C178-D181 WeakPolarHBondContact CB-OD2 3.4Å; C178-D181 PolarHBondContact SG-OD2 3.5Å |
| 179 | L | 37 | Very low | 44.4 | Very low | 131 Ų | 131 | 115.9 Ų | 115.9 | 69% | 0.686 | 63% | 0.628 | S | S | * | * | S | Bend | trans | -115.9 | -2.3 | -174.8 | -112.2 | 167.7 | 0 | 0 | 0 | 114.4 | ||
| 180 | E | 35.2 | Very low | 41.6 | Very low | 115 Ų | 115 | 121.9 Ų | 121.9 | 54% | 0.537 | 66% | 0.658 | S | S | . | * | S | Bend | trans | -99.5 | -9.2 | 173.5 | -66.1 | -158.8 | 141.6 | 0 | 0 | 113.5 | R94 K182 | R94-E180 IonicContact CZ-OE1 2.67Å; R94-E180 IonicContact NE-OE1 3.05Å; R94-E180 IonicContact NE-OE2 3.22Å; R94-E180 IonicContact NH2-OE1 3.58Å; R94-E180 PolarHBondContact NH2-OE1 2.95Å; R94-E180 IonicContact NH2-OE2 2.69Å; E180-K182 PolarHBondContact O-N 3.42Å |
| 181 | D | 33 | Very low | 39 | Very low | 138 Ų | 138 | 132.5 Ų | 132.5 | 74% | 0.738 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.2 | 56 | 180 | -70.9 | -52.2 | 0 | 0 | 0 | 113.9 | C178 | C178-D181 WeakPolarHBondContact CB-OD2 3.4Å; C178-D181 PolarHBondContact SG-OD2 3.5Å |
| 182 | K | 29.9 | Very low | 36.5 | Very low | 197 Ų | 197 | 133.1 Ų | 133.1 | 86% | 0.857 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -128.3 | -3.2 | 178 | -110.4 | -174.3 | 178.9 | -176.1 | 0 | 117.5 | E180 | E180-K182 PolarHBondContact O-N 3.42Š|
| 183 | E | 32.5 | Very low | 34.4 | Very low | 177 Ų | 177 | 135.8 Ų | 135.8 | 83% | 0.827 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -135.3 | 95 | 164.6 | -69.7 | -165.1 | 179.5 | 0 | 0 | 111.2 | ||
| 184 | N | 32 | Very low | 32.7 | Very low | 131 Ų | 131 | 141.7 Ų | 141.7 | 70% | 0.701 | 73% | 0.729 | S | S | * | * | trans | 156.8 | 69.9 | 144 | -87.7 | -66.9 | 0 | 0 | 0 | 113.3 | ||||
| 185 | F | 24.9 | Very low | 31 | Very low | 208 Ų | 208 | 139.3 Ų | 139.3 | 91% | 0.912 | 73% | 0.729 | S | S | * | * | trans | -151.4 | 119.5 | 157.1 | -103.8 | -71.7 | 0 | 0 | 0 | 111.7 | ||||
| 186 | P | 26.5 | Very low | 29.8 | Very low | 120 Ų | 120 | 139.1 Ų | 139.1 | 78% | 0.779 | 73% | 0.733 | S | S | * | * | trans | -79.5 | 125.2 | 168.5 | 19.2 | -10.7 | 0 | 0 | 0 | 111 | ||||
| 187 | S | 23.8 | Very low | 28.8 | Very low | 106 Ų | 106 | 141.9 Ų | 141.9 | 74% | 0.741 | 75% | 0.752 | S | S | * | * | trans | -17.2 | 132.7 | 169.6 | 57.5 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 188 | L | 23.4 | Very low | 28.3 | Very low | 171 Ų | 171 | 141.8 Ų | 141.8 | 90% | 0.895 | 75% | 0.748 | S | S | * | * | trans | -141.6 | 69.8 | 148.5 | -140.9 | 157.6 | 0 | 0 | 0 | 111.8 | ||||
| 189 | S | 22.2 | Very low | 27.8 | Very low | 98 Ų | 98 | 145.5 Ų | 145.5 | 69% | 0.685 | 76% | 0.756 | S | S | * | * | trans | -73.1 | 122.3 | 169.9 | 54.8 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 190 | N | 23.4 | Very low | 27.2 | Very low | 152 Ų | 152 | 145.4 Ų | 145.4 | 81% | 0.813 | 76% | 0.757 | S | S | * | * | trans | -171.4 | 98.4 | 145.3 | -105 | -32.7 | 0 | 0 | 0 | 113.5 | ||||
| 191 | R | 24.6 | Very low | 26.8 | Very low | 239 Ų | 239 | 144.9 Ų | 144.9 | 90% | 0.902 | 77% | 0.765 | S | S | * | * | S | Bend | -167.9 | 107.4 | 124.7 | -106.8 | 171.3 | -176.5 | -162.1 | -1.1 | 113.6 | |||
| 192 | T | 24.6 | Very low | 26.3 | Very low | 132 Ų | 132 | 146.8 Ų | 146.8 | 81% | 0.81 | 77% | 0.77 | S | S | * | * | trans | 67.7 | 85.3 | 144.7 | -36 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 193 | V | 26 | Very low | 26.1 | Very low | 113 Ų | 113 | 146.1 Ų | 146.1 | 69% | 0.685 | 77% | 0.767 | S | S | * | * | trans | -33.2 | 137.2 | 150.6 | -178.7 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 194 | Q | 26.3 | Very low | 26.3 | Very low | 190 Ų | 190 | 143.4 Ų | 143.4 | 89% | 0.888 | 77% | 0.765 | S | S | * | * | 174 | 148.2 | 121 | -94.9 | -178.1 | -26.2 | 0 | 0 | 110.5 | |||||
| 195 | D | 26.4 | Very low | 26 | Very low | 121 Ų | 121 | 145.7 Ų | 145.7 | 65% | 0.647 | 77% | 0.769 | S | S | * | * | cis | 173.4 | 124.8 | -35.5 | -141.6 | -26.2 | 0 | 0 | 0 | 105.4 | ||||
| 196 | S | 26.9 | Very low | 27.3 | Very low | 117 Ų | 117 | 141.9 Ų | 141.9 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | trans | 178.2 | 47.9 | 162.4 | 53.6 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 197 | V | 29 | Very low | 27.2 | Very low | 102 Ų | 102 | 139.8 Ų | 139.8 | 62% | 0.618 | 77% | 0.765 | S | S | * | * | 25.4 | 120.5 | 128.6 | -177.3 | 0 | 0 | 0 | 0 | 120.5 | |||||
| 198 | Q | 29.4 | Very low | 27.5 | Very low | 148 Ų | 148 | 145.8 Ų | 145.8 | 69% | 0.692 | 77% | 0.771 | S | S | * | * | trans | 74.1 | 153.6 | 150.5 | -72 | 172.2 | 32.5 | 0 | 0 | 119.6 | ||||
| 199 | K | 25.9 | Very low | 27.7 | Very low | 150 Ų | 150 | 144.8 Ų | 144.8 | 65% | 0.652 | 76% | 0.764 | S | S | * | * | cis | -151.9 | 160 | 7.2 | -144 | 151.8 | -168.6 | 157.1 | 0 | 116.4 | ||||
| 200 | D | 25.8 | Very low | 28.2 | Very low | 129 Ų | 129 | 144.5 Ų | 144.5 | 69% | 0.69 | 76% | 0.762 | S | S | * | * | trans | -22.8 | 158.6 | 147.7 | -27.4 | -44.4 | 0 | 0 | 0 | 116 | ||||
| 201 | S | 25.8 | Very low | 28.4 | Very low | 103 Ų | 103 | 144.6 Ų | 144.6 | 72% | 0.72 | 76% | 0.762 | S | S | * | * | cis | -158.1 | -172.1 | 0.3 | 40.7 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 202 | E | 24.1 | Very low | 28.7 | Very low | 179 Ų | 179 | 136.8 Ų | 136.8 | 84% | 0.836 | 76% | 0.757 | S | S | * | * | cis | -170.8 | -178.4 | 30.4 | -152.7 | 159.6 | -170 | 0 | 0 | 112 | ||||
| 203 | F | 24.9 | Very low | 29.1 | Very low | 182 Ų | 182 | 137.7 Ų | 137.7 | 80% | 0.798 | 76% | 0.762 | S | S | * | * | trans | -85.2 | 176.6 | 173 | -86.9 | -95.9 | 0 | 0 | 0 | 111.6 | ||||
| 204 | P | 37.3 | Very low | 29.2 | Very low | 121 Ų | 121 | 136 Ų | 136 | 79% | 0.786 | 77% | 0.768 | S | S | * | * | cis | -139.5 | -173.6 | 16.9 | 39 | -16.5 | 0 | 0 | 0 | 118.5 | ||||
| 205 | K | 25.8 | Very low | 29.4 | Very low | 178 Ų | 178 | 134.8 Ų | 134.8 | 77% | 0.774 | 77% | 0.767 | S | S | * | * | trans | -71.1 | -175.3 | 170.8 | -54.5 | 169.5 | 174.7 | 173 | 0 | 112.9 | ||||
| 206 | P | 51.6 | Low | 29.6 | Very low | 128 Ų | 128 | 137.6 Ų | 137.6 | 83% | 0.831 | 78% | 0.781 | S | S | * | * | cis | -130.6 | 175.3 | -16.2 | 21.6 | 2.7 | 0 | 0 | 0 | 115.4 | ||||
| 207 | G | 23.6 | Very low | 29.6 | Very low | 76 Ų | 76 | 140.1 Ų | 140.1 | 78% | 0.784 | 78% | 0.78 | S | S | * | * | trans | -145.1 | 169.2 | 167.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 208 | R | 29.8 | Very low | 29.5 | Very low | 232 Ų | 232 | 142 Ų | 142 | 88% | 0.875 | 79% | 0.786 | S | S | * | * | trans | -148.5 | 153.7 | -166 | -149 | -166 | -164.7 | -162.1 | 8.1 | 114.1 | ||||
| 209 | M | 29 | Very low | 29.5 | Very low | 151 Ų | 151 | 139.9 Ų | 139.9 | 74% | 0.744 | 79% | 0.787 | S | S | * | * | trans | 80.9 | 157.1 | 161.9 | -60.9 | -178.6 | 57 | 0 | 0 | 119.9 | ||||
| 210 | S | 31.3 | Very low | 29.7 | Very low | 91 Ų | 91 | 137.3 Ų | 137.3 | 64% | 0.636 | 79% | 0.789 | S | S | * | * | trans | 72.6 | 145.5 | 157.4 | -71.2 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 211 | D | 28.9 | Very low | 30 | Very low | 154 Ų | 154 | 137.8 Ų | 137.8 | 82% | 0.824 | 79% | 0.789 | S | S | * | * | cis | -162.4 | 174.7 | -12.1 | -92.9 | -31.6 | 0 | 0 | 0 | 109.2 | ||||
| 212 | G | 30.2 | Very low | 30.1 | Very low | 76 Ų | 76 | 142.7 Ų | 142.7 | 78% | 0.784 | 80% | 0.798 | S | S | * | * | trans | 114.9 | 100.8 | 142.9 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 213 | T | 32.3 | Very low | 30.3 | Very low | 150 Ų | 150 | 137 Ų | 137 | 92% | 0.92 | 79% | 0.788 | S | S | * | * | trans | -58.5 | 157.7 | 163.3 | 43.7 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 214 | G | 28.8 | Very low | 30.5 | Very low | 78 Ų | 78 | 135.8 Ų | 135.8 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | trans | -179.3 | 117.8 | 159 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 215 | D | 31.4 | Very low | 30.1 | Very low | 165 Ų | 165 | 133 Ų | 133 | 88% | 0.882 | 79% | 0.788 | S | S | * | * | trans | -83.6 | 157.3 | 177.9 | -63.8 | -75.6 | 0 | 0 | 0 | 113.9 | ||||
| 216 | L | 29.5 | Very low | 30.2 | Very low | 180 Ų | 180 | 131.7 Ų | 131.7 | 94% | 0.942 | 80% | 0.795 | S | S | * | * | trans | -149.4 | 140.8 | 156.4 | -94 | -177.8 | 0 | 0 | 0 | 112.6 | ||||
| 217 | Q | 26.7 | Very low | 29.3 | Very low | 170 Ų | 170 | 133.6 Ų | 133.6 | 79% | 0.794 | 79% | 0.793 | S | S | * | * | trans | -147 | 164.3 | 168.4 | -149.5 | -164.5 | 33.4 | 0 | 0 | 110.5 | ||||
| 218 | L | 28.3 | Very low | 30.3 | Very low | 142 Ų | 142 | 135.2 Ų | 135.2 | 74% | 0.743 | 79% | 0.79 | S | S | * | * | trans | 84.5 | 113.1 | 167.7 | -59.2 | 171.6 | 0 | 0 | 0 | 119.3 | ||||
| 219 | S | 28.2 | Very low | 31.4 | Very low | 102 Ų | 102 | 129 Ų | 129 | 71% | 0.713 | 78% | 0.779 | S | S | * | * | trans | 37.6 | 143.6 | 132.9 | 64.6 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 220 | S | 30.7 | Very low | 31.4 | Very low | 97 Ų | 97 | 127.7 Ų | 127.7 | 68% | 0.678 | 79% | 0.785 | S | S | * | * | -177.5 | 141.4 | 64 | 38.5 | 0 | 0 | 0 | 0 | 117.3 | |||||
| 221 | I | 31.6 | Very low | 31.3 | Very low | 138 Ų | 138 | 127 Ų | 127 | 71% | 0.708 | 79% | 0.792 | S | S | * | * | trans | 50.2 | 122.5 | 132.7 | -42.3 | 160.4 | 0 | 0 | 0 | 121.7 | ||||
| 222 | F | 28.5 | Very low | 31.3 | Very low | 207 Ų | 207 | 127 Ų | 127 | 91% | 0.908 | 79% | 0.793 | S | S | * | * | 170.4 | 173 | 117 | -97.2 | -67.6 | 0 | 0 | 0 | 112.7 | |||||
| 223 | G | 27.8 | Very low | 31.2 | Very low | 60 Ų | 60 | 127.9 Ų | 127.9 | 62% | 0.619 | 79% | 0.786 | S | S | * | * | trans | -158.3 | -146 | -170.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 224 | V | 29.6 | Very low | 31.1 | Very low | 156 Ų | 156 | 128 Ų | 128 | 95% | 0.945 | 78% | 0.781 | S | S | * | * | trans | 83 | 139.1 | -168.8 | -172.5 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 225 | G | 28.7 | Very low | 31.2 | Very low | 62 Ų | 62 | 131.9 Ų | 131.9 | 64% | 0.639 | 78% | 0.784 | S | S | * | * | cis | 162.4 | 174 | -9.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 226 | T | 28.9 | Very low | 32.1 | Very low | 151 Ų | 151 | 129.3 Ų | 129.3 | 93% | 0.926 | 78% | 0.776 | S | S | * | * | trans | 85.4 | 143.3 | 167.2 | -4 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 227 | E | 30.9 | Very low | 31.9 | Very low | 167 Ų | 167 | 130.2 Ų | 130.2 | 78% | 0.78 | 77% | 0.773 | S | S | * | * | trans | -108.5 | -168.6 | 174.7 | -122.2 | -170.3 | -127.6 | 0 | 0 | 109.4 | ||||
| 228 | P | 44.5 | Very low | 33.3 | Very low | 111 Ų | 111 | 127.9 Ų | 127.9 | 72% | 0.721 | 77% | 0.773 | S | S | * | * | cis | -145.1 | -138.3 | 28.6 | 45.3 | -19 | 0 | 0 | 0 | 114.6 | ||||
| 229 | P | 53 | Low | 33.3 | Very low | 100 Ų | 100 | 124.1 Ų | 124.1 | 65% | 0.649 | 77% | 0.768 | S | S | * | * | -140.7 | -176.7 | -121.6 | 43.1 | -19.7 | 0 | 0 | 0 | 120 | |||||
| 230 | S | 30.1 | Very low | 33.2 | Very low | 124 Ų | 124 | 129.4 Ų | 129.4 | 87% | 0.867 | 77% | 0.772 | S | S | * | * | trans | 73.9 | 153.3 | 155.2 | 77.6 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 231 | G | 28.2 | Very low | 33 | Very low | 76 Ų | 76 | 134.1 Ų | 134.1 | 78% | 0.784 | 78% | 0.775 | S | S | * | * | trans | 149.6 | 121.5 | 166.9 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 232 | N | 28.5 | Very low | 32.9 | Very low | 156 Ų | 156 | 134.1 Ų | 134.1 | 83% | 0.834 | 78% | 0.782 | S | S | * | * | trans | -67.9 | 168.2 | -174.3 | -59.9 | -20.6 | 0 | 0 | 0 | 120.1 | ||||
| 233 | S | 29.7 | Very low | 32.8 | Very low | 94 Ų | 94 | 127.7 Ų | 127.7 | 66% | 0.657 | 77% | 0.774 | S | S | * | * | trans | 66.8 | 123.2 | 133.5 | 60.9 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 234 | D | 29.7 | Very low | 33.1 | Very low | 152 Ų | 152 | 129.5 Ų | 129.5 | 81% | 0.813 | 78% | 0.777 | S | S | * | * | 58.7 | 115.7 | 124.5 | -46 | -22.7 | 0 | 0 | 0 | 124 | |||||
| 235 | D | 29.8 | Very low | 33.1 | Very low | 159 Ų | 159 | 129.6 Ų | 129.6 | 85% | 0.85 | 77% | 0.767 | S | S | * | * | trans | 55.3 | 170.7 | 142.4 | -92 | -6.1 | 0 | 0 | 0 | 121.7 | ||||
| 236 | P | 51.7 | Low | 33.2 | Very low | 112 Ų | 112 | 137.4 Ų | 137.4 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | cis | -130.7 | -169.1 | -43.9 | 38 | -21.1 | 0 | 0 | 0 | 113.9 | ||||
| 237 | F | 25.6 | Very low | 33.4 | Very low | 198 Ų | 198 | 139.6 Ų | 139.6 | 87% | 0.868 | 77% | 0.774 | S | S | * | * | trans | -55.4 | 175.9 | 171.7 | -78.8 | -78.8 | 0 | 0 | 0 | 116.5 | ||||
| 238 | P | 56.3 | Low | 33.3 | Very low | 122 Ų | 122 | 143.2 Ų | 143.2 | 79% | 0.792 | 78% | 0.78 | S | S | * | * | cis | -140.1 | 174.4 | -28.8 | 36.8 | -19.4 | 0 | 0 | 0 | 115.9 | ||||
| 239 | G | 26.3 | Very low | 32.8 | Very low | 63 Ų | 63 | 141.8 Ų | 141.8 | 65% | 0.649 | 78% | 0.778 | S | S | * | * | trans | 162.8 | 123 | 148.7 | 0 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 240 | W | 26.4 | Very low | 31.7 | Very low | 212 Ų | 212 | 144.4 Ų | 144.4 | 80% | 0.803 | 79% | 0.792 | S | S | * | * | trans | 64.5 | 127.7 | 130.2 | -69.4 | 93.8 | 0 | 0 | 0 | 126.4 | ||||
| 241 | R | 28.1 | Very low | 31.5 | Very low | 197 Ų | 197 | 141.5 Ų | 141.5 | 74% | 0.743 | 78% | 0.782 | S | S | * | * | trans | 78.1 | 158.9 | 148.9 | -59.3 | 172 | -161.4 | -101.7 | -1.6 | 118.8 | ||||
| 242 | T | 29.5 | Very low | 31.7 | Very low | 138 Ų | 138 | 146 Ų | 146 | 85% | 0.847 | 79% | 0.787 | S | S | * | * | cis | -156.7 | 150.6 | 9.8 | -18.6 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 243 | G | 25.9 | Very low | 32.6 | Very low | 72 Ų | 72 | 144.5 Ų | 144.5 | 74% | 0.742 | 79% | 0.786 | S | S | * | * | trans | 83.1 | 162.4 | 148.8 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 244 | S | 33.2 | Very low | 32.6 | Very low | 97 Ų | 97 | 143.4 Ų | 143.4 | 68% | 0.678 | 79% | 0.789 | S | S | * | * | cis | -166.7 | 160.4 | -18.6 | -163.2 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 245 | H | 29.7 | Very low | 32.6 | Very low | 159 Ų | 159 | 147.9 Ų | 147.9 | 74% | 0.736 | 80% | 0.795 | S | S | * | * | trans | 75.5 | 116.9 | 156.4 | -62.5 | -44 | 0 | 0 | 0 | 126.1 | ||||
| 246 | R | 32.3 | Very low | 32.9 | Very low | 226 Ų | 226 | 146.3 Ų | 146.3 | 85% | 0.853 | 79% | 0.791 | S | S | * | * | 50.6 | 134.5 | 129.6 | -67.6 | 178 | 168.6 | -179.6 | -3.6 | 120.2 | |||||
| 247 | K | 31.5 | Very low | 32.5 | Very low | 197 Ų | 197 | 146.5 Ų | 146.5 | 86% | 0.857 | 79% | 0.792 | S | S | * | * | -169.9 | 155.6 | 57.8 | -128.3 | 167.1 | -174.1 | 177.1 | 0 | 112.6 | |||||
| 248 | R | 29.7 | Very low | 32.7 | Very low | 242 Ų | 242 | 142.9 Ų | 142.9 | 91% | 0.913 | 79% | 0.786 | S | S | * | * | trans | 0.7 | 154.7 | 162.2 | -72.3 | -170.4 | 175.9 | 166.9 | -1.5 | 122.4 | ||||
| 249 | A | 33.8 | Very low | 31.4 | Very low | 81 Ų | 81 | 143.2 Ų | 143.2 | 67% | 0.669 | 79% | 0.785 | S | S | * | * | cis | -175.9 | 172.3 | -13.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 250 | V | 29.1 | Very low | 32.3 | Very low | 155 Ų | 155 | 145 Ų | 145 | 94% | 0.939 | 79% | 0.786 | S | S | * | * | trans | 82.1 | 141.5 | 176.5 | -171.8 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 251 | G | 26.2 | Very low | 32.4 | Very low | 64 Ų | 64 | 144.1 Ų | 144.1 | 66% | 0.66 | 79% | 0.788 | S | S | * | * | cis | -163.3 | 176.7 | 0.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 252 | L | 32.3 | Very low | 32.3 | Very low | 170 Ų | 170 | 140 Ų | 140 | 89% | 0.89 | 79% | 0.789 | S | S | * | * | trans | -157.3 | 175.6 | -174.8 | -92.6 | 175.8 | 0 | 0 | 0 | 108.7 | ||||
| 253 | P | 48.6 | Very low | 32.5 | Very low | 125 Ų | 125 | 141.1 Ų | 141.1 | 81% | 0.812 | 79% | 0.788 | S | S | * | * | cis | -131.7 | 162.7 | 17.8 | 41.9 | -24.9 | 0 | 0 | 0 | 116.7 | ||||
| 254 | G | 29.4 | Very low | 33.3 | Very low | 71 Ų | 71 | 143 Ų | 143 | 73% | 0.732 | 79% | 0.788 | S | S | * | * | 127.5 | 164.7 | 94.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 255 | R | 30 | Very low | 33.1 | Very low | 245 Ų | 245 | 145.6 Ų | 145.6 | 93% | 0.925 | 79% | 0.789 | S | S | * | * | cis | -160.7 | 158.6 | 3 | -164.2 | -176.3 | -162.4 | 176.2 | 5.7 | 108.6 | ||||
| 256 | V | 35.3 | Very low | 33.1 | Very low | 127 Ų | 127 | 144.5 Ų | 144.5 | 77% | 0.77 | 78% | 0.782 | S | S | * | * | trans | -135.8 | 140.9 | 175.6 | 179.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 257 | P | 42.3 | Very low | 33.1 | Very low | 115 Ų | 115 | 140 Ų | 140 | 75% | 0.747 | 78% | 0.775 | S | S | * | * | trans | -126.7 | 137.5 | 136.7 | 6.8 | 15.7 | 0 | 0 | 0 | 111 | ||||
| 258 | V | 29.7 | Very low | 33 | Very low | 123 Ų | 123 | 137.9 Ų | 137.9 | 75% | 0.745 | 77% | 0.773 | S | S | * | * | 90.5 | 100.5 | 55.4 | 170.5 | 0 | 0 | 0 | 0 | 113 | |||||
| 259 | V | 30.1 | Very low | 33 | Very low | 129 Ų | 129 | 132.4 Ų | 132.4 | 78% | 0.782 | 76% | 0.762 | S | S | * | * | trans | 10.5 | 172.7 | 141.7 | -97.3 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 260 | P | 45.1 | Very low | 32.9 | Very low | 101 Ų | 101 | 134.4 Ų | 134.4 | 66% | 0.656 | 76% | 0.76 | S | S | * | * | cis | -144.7 | -176.2 | 1.7 | 25.1 | 2.5 | 0 | 0 | 0 | 119 | ||||
| 261 | F | 28.7 | Very low | 32.9 | Very low | 192 Ų | 192 | 133.3 Ų | 133.3 | 84% | 0.842 | 74% | 0.744 | S | S | * | * | trans | 88 | 134.7 | 138.6 | -88.2 | -54.4 | 0 | 0 | 0 | 125.6 | ||||
| 262 | S | 26.7 | Very low | 32.9 | Very low | 110 Ų | 110 | 137.6 Ų | 137.6 | 77% | 0.769 | 75% | 0.745 | S | S | * | * | trans | 90.2 | 145.8 | 140.5 | -64.9 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 263 | I | 33.5 | Very low | 32.5 | Very low | 162 Ų | 162 | 138.4 Ų | 138.4 | 83% | 0.831 | 74% | 0.741 | S | S | * | * | trans | -124.4 | 145.1 | 173.7 | -34.4 | 173.4 | 0 | 0 | 0 | 106.6 | ||||
| 264 | P | 40.9 | Very low | 31.5 | Very low | 113 Ų | 113 | 138.4 Ų | 138.4 | 73% | 0.734 | 74% | 0.738 | S | S | * | * | -149.4 | 171.5 | 106.3 | 38.8 | -22 | 0 | 0 | 0 | 115 | |||||
| 265 | E | 30.5 | Very low | 31.9 | Very low | 150 Ų | 150 | 140.9 Ų | 140.9 | 70% | 0.701 | 74% | 0.742 | S | S | * | * | trans | 25.9 | 151.5 | 139.2 | -60.3 | -163.2 | 157.2 | 0 | 0 | 121.6 | ||||
| 266 | K | 29.4 | Very low | 31.7 | Very low | 137 Ų | 137 | 138 Ų | 138 | 60% | 0.596 | 74% | 0.736 | S | S | * | * | cis | -169.9 | 164 | 6.5 | -123.3 | 172.3 | -171.5 | 136.4 | 0 | 109.8 | ||||
| 267 | D | 31.6 | Very low | 31.3 | Very low | 132 Ų | 132 | 136.4 Ų | 136.4 | 71% | 0.706 | 73% | 0.731 | S | S | * | * | trans | 57.1 | 169 | 155.3 | -45.6 | -28.5 | 0 | 0 | 0 | 116.6 | ||||
| 268 | D | 30 | Very low | 30.5 | Very low | 152 Ų | 152 | 136.5 Ų | 136.5 | 81% | 0.813 | 73% | 0.734 | S | S | * | * | cis | -151 | 175.8 | 5.2 | -144.2 | -9.6 | 0 | 0 | 0 | 113.2 | ||||
| 269 | D | 30.6 | Very low | 30.3 | Very low | 127 Ų | 127 | 136.3 Ų | 136.3 | 68% | 0.679 | 74% | 0.738 | S | S | * | * | trans | -51.1 | 157.3 | -168.2 | -123.7 | -8.6 | 0 | 0 | 0 | 124.3 | ||||
| 270 | I | 30.6 | Very low | 30.3 | Very low | 122 Ų | 122 | 138.3 Ų | 138.3 | 63% | 0.626 | 74% | 0.741 | S | S | * | * | trans | 84.2 | 129.5 | 131 | -88 | 169.1 | 0 | 0 | 0 | 126.9 | ||||
| 271 | H | 29.5 | Very low | 29.4 | Very low | 132 Ų | 132 | 139.4 Ų | 139.4 | 61% | 0.611 | 75% | 0.751 | S | S | * | * | trans | 90.7 | 112.7 | 142.3 | -83.5 | 22.3 | 0 | 0 | 0 | 127.5 | ||||
| 272 | K | 26.2 | Very low | 29.5 | Very low | 155 Ų | 155 | 136 Ų | 136 | 67% | 0.674 | 75% | 0.745 | S | S | * | * | 60.1 | 119 | 118.9 | -64.3 | 174.9 | -174.7 | 159.3 | 0 | 124.2 | |||||
| 273 | K | 23.9 | Very low | 29.5 | Very low | 187 Ų | 187 | 136.8 Ų | 136.8 | 81% | 0.813 | 75% | 0.746 | S | S | * | * | 78.3 | 123 | 129.7 | -73.8 | -173.4 | 175.3 | -175.5 | 0 | 123.7 | |||||
| 274 | V | 27 | Very low | 29.4 | Very low | 124 Ų | 124 | 140.6 Ų | 140.6 | 75% | 0.752 | 75% | 0.75 | S | S | * | * | 48 | 120.7 | 121 | -177.7 | 0 | 0 | 0 | 0 | 118.7 | |||||
| 275 | P | 39.1 | Very low | 28.7 | Very low | 124 Ų | 124 | 138.2 Ų | 138.2 | 81% | 0.805 | 75% | 0.746 | S | S | * | * | -140.4 | -169.7 | 71.1 | 21.9 | 2.5 | 0 | 0 | 0 | 114.4 | |||||
| 276 | K | 25.3 | Very low | 28.8 | Very low | 183 Ų | 183 | 139.7 Ų | 139.7 | 80% | 0.796 | 76% | 0.758 | S | S | * | * | cis | 145.5 | 118.2 | -26.2 | -160.8 | -172.2 | -175 | -171.7 | 0 | 110.4 | ||||
| 277 | S | 26 | Very low | 28.7 | Very low | 95 Ų | 95 | 138.7 Ų | 138.7 | 66% | 0.664 | 77% | 0.768 | S | S | * | * | trans | 67 | 130.5 | 154.4 | 54.1 | 0 | 0 | 0 | 0 | 124.9 | ||||
| 278 | S | 26.9 | Very low | 28.5 | Very low | 116 Ų | 116 | 142.5 Ų | 142.5 | 81% | 0.811 | 77% | 0.772 | S | S | * | * | trans | 67.9 | 147.9 | 145.4 | 58.1 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 279 | S | 25 | Very low | 28.5 | Very low | 120 Ų | 120 | 141.5 Ų | 141.5 | 84% | 0.839 | 76% | 0.763 | S | S | * | * | cis | -150 | -160.8 | 35.7 | 60.6 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 280 | M | 29.5 | Very low | 28.4 | Very low | 170 Ų | 170 | 140.5 Ų | 140.5 | 84% | 0.837 | 76% | 0.761 | S | S | * | * | trans | -122.4 | 159.6 | -168.1 | -60.3 | 169.5 | 61.9 | 0 | 0 | 114.3 | ||||
| 281 | S | 25.6 | Very low | 28.2 | Very low | 125 Ų | 125 | 140.5 Ų | 140.5 | 87% | 0.874 | 77% | 0.772 | S | S | * | * | trans | -155.2 | 164.9 | 153.1 | 62 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 282 | V | 31.3 | Very low | 28 | Very low | 119 Ų | 119 | 138.2 Ų | 138.2 | 72% | 0.721 | 79% | 0.785 | S | S | * | * | trans | -148.3 | 147.9 | -158.1 | 174.2 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 283 | T | 27.8 | Very low | 28.2 | Very low | 127 Ų | 127 | 135.8 Ų | 135.8 | 78% | 0.779 | 79% | 0.787 | S | S | * | * | trans | 166.2 | 157.6 | 142.8 | 31.2 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 284 | R | 29.9 | Very low | 28.2 | Very low | 242 Ų | 242 | 134.7 Ų | 134.7 | 91% | 0.913 | 79% | 0.79 | S | S | * | * | cis | -160.2 | 164.5 | 9 | -124.5 | 169.9 | -176.8 | 166.8 | -0.5 | 107.1 | ||||
| 285 | G | 27 | Very low | 28.2 | Very low | 63 Ų | 63 | 131.6 Ų | 131.6 | 65% | 0.649 | 78% | 0.783 | S | S | * | * | cis | 151.5 | 129.9 | -12.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 286 | L | 32.3 | Very low | 27.6 | Very low | 182 Ų | 182 | 133 Ų | 133 | 95% | 0.953 | 79% | 0.789 | S | S | * | * | trans | 79.8 | 157.1 | 167.4 | -47.9 | 172.2 | 0 | 0 | 0 | 117.2 | ||||
| 287 | S | 27.1 | Very low | 27.8 | Very low | 116 Ų | 116 | 130 Ų | 130 | 81% | 0.811 | 79% | 0.791 | S | S | * | * | cis | -140.6 | -132.6 | 10.4 | 76.8 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 288 | R | 28.9 | Very low | 28 | Very low | 212 Ų | 212 | 128.4 Ų | 128.4 | 80% | 0.8 | 79% | 0.79 | S | S | * | * | trans | -130.2 | -168.3 | -159 | -55.4 | 175.4 | 158.9 | -163.5 | 1.8 | 113 | ||||
| 289 | Q | 28.9 | Very low | 27.9 | Very low | 131 Ų | 131 | 133.4 Ų | 133.4 | 61% | 0.612 | 80% | 0.798 | S | S | * | * | cis | -164.4 | 157.6 | 6.2 | -149.3 | -179.1 | -102.8 | 0 | 0 | 114.4 | ||||
| 290 | T | 28.3 | Very low | 28 | Very low | 105 Ų | 105 | 130.6 Ų | 130.6 | 64% | 0.644 | 79% | 0.787 | S | S | * | * | trans | 46 | 131.7 | 149.6 | 40.2 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 291 | S | 27 | Very low | 27.8 | Very low | 123 Ų | 123 | 128.8 Ų | 128.8 | 86% | 0.86 | 79% | 0.786 | S | S | * | * | 39 | 134.8 | 129.4 | -45.3 | 0 | 0 | 0 | 0 | 123.2 | |||||
| 292 | G | 25.8 | Very low | 27.8 | Very low | 84 Ų | 84 | 128.2 Ų | 128.2 | 87% | 0.866 | 78% | 0.782 | S | S | * | * | trans | 155.1 | 153.3 | 155.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 293 | S | 28.9 | Very low | 27.6 | Very low | 103 Ų | 103 | 127.4 Ų | 127.4 | 72% | 0.72 | 78% | 0.781 | S | S | * | * | trans | -134.4 | 164 | 175.8 | 62 | 0 | 0 | 0 | 0 | 112 | ||||
| 294 | N | 25.8 | Very low | 27.5 | Very low | 165 Ų | 165 | 126.5 Ų | 126.5 | 88% | 0.882 | 78% | 0.78 | S | S | * | * | trans | 75.3 | 148.9 | -175.4 | -48.1 | -19.2 | 0 | 0 | 0 | 114.2 | ||||
| 295 | G | 25.7 | Very low | 27.4 | Very low | 59 Ų | 59 | 126.1 Ų | 126.1 | 61% | 0.608 | 78% | 0.779 | S | S | * | * | cis | 158.1 | 163.4 | -7.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 296 | T | 26.5 | Very low | 27.3 | Very low | 152 Ų | 152 | 132.8 Ų | 132.8 | 93% | 0.933 | 79% | 0.79 | S | S | * | * | trans | 65.3 | 158.8 | 178.4 | 69.7 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 297 | S | 30.4 | Very low | 26.9 | Very low | 120 Ų | 120 | 128.5 Ų | 128.5 | 84% | 0.839 | 78% | 0.775 | S | S | * | * | cis | -145 | 171.3 | 5.2 | 56.1 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 298 | G | 28.7 | Very low | 26.9 | Very low | 62 Ų | 62 | 128.6 Ų | 128.6 | 64% | 0.639 | 77% | 0.771 | S | S | * | * | cis | 154 | 133.6 | -13 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 299 | F | 25.6 | Very low | 26.7 | Very low | 222 Ų | 222 | 127.2 Ų | 127.2 | 97% | 0.974 | 77% | 0.773 | S | S | * | * | trans | -172.9 | 134.2 | 160.4 | -91.2 | -70.3 | 0 | 0 | 0 | 106.7 | ||||
| 300 | G | 26.2 | Very low | 26.6 | Very low | 60 Ų | 60 | 124.3 Ų | 124.3 | 62% | 0.619 | 78% | 0.778 | S | S | * | * | cis | 113.4 | 134.2 | -9.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 301 | V | 26.5 | Very low | 26.5 | Very low | 133 Ų | 133 | 130.4 Ų | 130.4 | 81% | 0.806 | 79% | 0.79 | S | S | * | * | cis | -160.1 | 152.4 | -0.8 | 164.4 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 302 | S | 24.6 | Very low | 26.5 | Very low | 113 Ų | 113 | 131.4 Ų | 131.4 | 79% | 0.79 | 79% | 0.785 | S | S | * | * | trans | 72.3 | 168.8 | 155.1 | 65.6 | 0 | 0 | 0 | 0 | 123 | ||||
| 303 | S | 26.9 | Very low | 26.6 | Very low | 101 Ų | 101 | 133.2 Ų | 133.2 | 71% | 0.706 | 78% | 0.779 | S | S | * | * | cis | 171.8 | 168.6 | -39.3 | -166.4 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 304 | S | 26.9 | Very low | 26.5 | Very low | 108 Ų | 108 | 134 Ų | 134 | 76% | 0.755 | 78% | 0.779 | S | S | * | * | trans | 92.1 | 151.6 | 157.9 | -53.3 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 305 | R | 26.5 | Very low | 26.5 | Very low | 234 Ų | 234 | 136.1 Ų | 136.1 | 88% | 0.883 | 78% | 0.775 | S | S | * | * | cis | 177.4 | 132.2 | -36.7 | -120.7 | -179.1 | 176.5 | -174.9 | -0.4 | 108.5 | ||||
| 306 | K | 26.4 | Very low | 26.7 | Very low | 204 Ų | 204 | 138.9 Ų | 138.9 | 89% | 0.887 | 78% | 0.776 | S | S | * | * | trans | 137.7 | 161.3 | 166.7 | -88.2 | 179.5 | 177.4 | -175.4 | 0 | 111 | ||||
| 307 | S | 23.2 | Very low | 26.6 | Very low | 92 Ų | 92 | 140.3 Ų | 140.3 | 64% | 0.643 | 77% | 0.772 | S | S | * | * | cis | -179 | 152 | -31 | 55.8 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 308 | V | 26.7 | Very low | 26.2 | Very low | 118 Ų | 118 | 143.6 Ų | 143.6 | 72% | 0.715 | 77% | 0.771 | S | S | * | * | trans | 76.8 | 154.1 | 152.6 | 167.2 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 309 | E | 25.2 | Very low | 26.8 | Very low | 182 Ų | 182 | 145.3 Ų | 145.3 | 85% | 0.85 | 77% | 0.771 | S | S | * | * | trans | -17.2 | 160.3 | 170.7 | -62.4 | 144.7 | -174.5 | 0 | 0 | 119.7 | ||||
| 310 | G | 26.5 | Very low | 26.6 | Very low | 70 Ų | 70 | 139.1 Ų | 139.1 | 72% | 0.722 | 76% | 0.755 | S | S | * | * | cis | 139 | 126.7 | 1.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 311 | R | 26.2 | Very low | 26.5 | Very low | 234 Ų | 234 | 142.6 Ų | 142.6 | 88% | 0.883 | 76% | 0.764 | S | S | * | * | trans | -169.3 | 96.9 | 164.1 | -111.3 | 177.1 | -160.5 | -163.5 | 5.2 | 113.4 | ||||
| 312 | D | 27.4 | Very low | 26.4 | Very low | 143 Ų | 143 | 143.7 Ų | 143.7 | 77% | 0.765 | 77% | 0.765 | S | S | * | * | 56.8 | 126.6 | 121.6 | -62.8 | -39.5 | 0 | 0 | 0 | 124.3 | |||||
| 313 | V | 27.3 | Very low | 26.5 | Very low | 122 Ų | 122 | 143.4 Ų | 143.4 | 74% | 0.739 | 76% | 0.763 | S | S | * | * | 97.1 | 102.4 | 125.6 | 163.2 | 0 | 0 | 0 | 0 | 120.7 | |||||
| 314 | V | 27 | Very low | 27 | Very low | 119 Ų | 119 | 144.3 Ų | 144.3 | 72% | 0.721 | 77% | 0.766 | S | S | * | * | 78.1 | 137.2 | 127.7 | 165.1 | 0 | 0 | 0 | 0 | 118.6 | |||||
| 315 | R | 26.8 | Very low | 27 | Very low | 211 Ų | 211 | 145.2 Ų | 145.2 | 80% | 0.796 | 76% | 0.762 | S | S | * | * | cis | -153.9 | 156.2 | 0.1 | -132.6 | -178 | 177.9 | 149.1 | 0.6 | 114.6 | ||||
| 316 | D | 28.5 | Very low | 27.1 | Very low | 117 Ų | 117 | 141.9 Ų | 141.9 | 63% | 0.626 | 76% | 0.756 | S | S | * | * | trans | 1.8 | 151.5 | 146.5 | -56.7 | -34.9 | 0 | 0 | 0 | 124.1 | ||||
| 317 | Q | 25.7 | Very low | 27.1 | Very low | 181 Ų | 181 | 134.9 Ų | 134.9 | 85% | 0.846 | 74% | 0.743 | S | S | * | * | 114.3 | 135.1 | 126 | -101.1 | 164.3 | 89 | 0 | 0 | 122 | |||||
| 318 | K | 22.1 | Very low | 27 | Very low | 189 Ų | 189 | 138 Ų | 138 | 82% | 0.822 | 75% | 0.747 | S | S | * | * | trans | -91.7 | -179.7 | 164.4 | -121.3 | -174 | 174.9 | -177.9 | 0 | 107.9 | ||||
| 319 | P | 40.6 | Very low | 27 | Very low | 99 Ų | 99 | 141.6 Ų | 141.6 | 64% | 0.643 | 75% | 0.748 | S | S | * | * | cis | -138.6 | -166.9 | -13.6 | 30.3 | -5.6 | 0 | 0 | 0 | 114.1 | ||||
| 320 | S | 21.8 | Very low | 26.9 | Very low | 92 Ų | 92 | 140.6 Ų | 140.6 | 64% | 0.643 | 74% | 0.743 | S | S | * | * | trans | 71.1 | 121 | 134 | 60.4 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 321 | V | 23.1 | Very low | 26.8 | Very low | 132 Ų | 132 | 144 Ų | 144 | 80% | 0.8 | 75% | 0.745 | S | S | * | * | 79.9 | 157.5 | 127.5 | 178.6 | 0 | 0 | 0 | 0 | 118.8 | |||||
| 322 | L | 25.7 | Very low | 26.8 | Very low | 157 Ų | 157 | 140.6 Ų | 140.6 | 82% | 0.822 | 74% | 0.739 | S | S | * | * | trans | 93 | 113.9 | 175 | -58.7 | -178.3 | 0 | 0 | 0 | 118.7 | ||||
| 323 | S | 25.1 | Very low | 26.7 | Very low | 107 Ų | 107 | 138 Ų | 138 | 75% | 0.748 | 74% | 0.737 | S | S | * | * | trans | -76.3 | 153.7 | 134.6 | -51.5 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 324 | P | 38.8 | Very low | 26.7 | Very low | 120 Ų | 120 | 139 Ų | 139 | 78% | 0.779 | 74% | 0.738 | S | S | * | * | -123.2 | 165.3 | 91.2 | 2.8 | 19.1 | 0 | 0 | 0 | 111.9 | |||||
| 325 | D | 26 | Very low | 26.8 | Very low | 126 Ų | 126 | 137.4 Ų | 137.4 | 67% | 0.674 | 73% | 0.732 | S | S | * | * | cis | 95.7 | 136.4 | 18.3 | -156.6 | 15.2 | 0 | 0 | 0 | 115.8 | ||||
| 326 | H | 29.4 | Very low | 26.9 | Very low | 164 Ų | 164 | 133.7 Ų | 133.7 | 76% | 0.759 | 73% | 0.733 | S | S | * | * | trans | 55.7 | 151.6 | -174.6 | -61.6 | -62.8 | 0 | 0 | 0 | 118.3 | ||||
| 327 | G | 25.3 | Very low | 26.9 | Very low | 58 Ų | 58 | 132.4 Ų | 132.4 | 60% | 0.598 | 74% | 0.739 | S | S | * | * | cis | -148.9 | 164.6 | -1.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 328 | Q | 22.8 | Very low | 27.1 | Very low | 158 Ų | 158 | 129.6 Ų | 129.6 | 74% | 0.738 | 74% | 0.735 | S | S | * | * | 59 | 127.6 | 85.9 | -72.8 | -176.5 | -35.2 | 0 | 0 | 113.5 | |||||
| 329 | W | 25.2 | Very low | 27.4 | Very low | 192 Ų | 192 | 127.7 Ų | 127.7 | 73% | 0.727 | 73% | 0.733 | S | S | * | * | cis | -139 | 163.5 | 17.4 | -85.8 | -43.7 | 0 | 0 | 0 | 112.2 | ||||
| 330 | E | 22.9 | Very low | 26.9 | Very low | 162 Ų | 162 | 130.5 Ų | 130.5 | 76% | 0.757 | 74% | 0.741 | S | S | * | * | 46.1 | 138.2 | 95.3 | -35.6 | 173.8 | 159.9 | 0 | 0 | 114.6 | |||||
| 331 | D | 24.8 | Very low | 27.2 | Very low | 140 Ų | 140 | 135.3 Ų | 135.3 | 75% | 0.749 | 75% | 0.754 | S | S | * | * | cis | -159.6 | -176.9 | -1.4 | -152.8 | -8.3 | 0 | 0 | 0 | 110.9 | ||||
| 332 | Q | 25.9 | Very low | 27.4 | Very low | 164 Ų | 164 | 134.4 Ų | 134.4 | 77% | 0.766 | 75% | 0.749 | S | S | * | * | trans | 70.7 | 133.2 | 163.6 | -66.8 | 166.1 | 18.8 | 0 | 0 | 115.7 | ||||
| 333 | A | 26.9 | Very low | 27.7 | Very low | 87 Ų | 87 | 134.7 Ų | 134.7 | 72% | 0.719 | 75% | 0.751 | S | S | * | * | 72.2 | 134.4 | 54.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 334 | D | 26.8 | Very low | 27.8 | Very low | 143 Ų | 143 | 133 Ų | 133 | 77% | 0.765 | 75% | 0.751 | S | S | * | * | cis | -155.3 | 161.1 | 10.4 | -147.2 | -38.2 | 0 | 0 | 0 | 113.5 | ||||
| 335 | S | 27.7 | Very low | 27.2 | Very low | 86 Ų | 86 | 132 Ų | 132 | 60% | 0.601 | 75% | 0.752 | S | S | * | * | trans | 68.5 | 129.3 | 142.3 | -80.5 | 0 | 0 | 0 | 0 | 125.2 | ||||
| 336 | T | 29 | Very low | 27.6 | Very low | 133 Ų | 133 | 136.2 Ų | 136.2 | 82% | 0.816 | 77% | 0.765 | S | S | * | * | trans | 83.5 | 134.6 | 136.5 | 54.1 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 337 | A | 28.5 | Very low | 27.5 | Very low | 90 Ų | 90 | 132.3 Ų | 132.3 | 74% | 0.744 | 77% | 0.768 | S | S | * | * | trans | 76.3 | 139.6 | 144.7 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 338 | T | 30.3 | Very low | 28.1 | Very low | 123 Ų | 123 | 135.7 Ų | 135.7 | 76% | 0.755 | 78% | 0.783 | S | S | * | * | cis | -160.4 | 168.2 | -25.9 | -50 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 339 | L | 28.8 | Very low | 28.5 | Very low | 149 Ų | 149 | 133 Ų | 133 | 78% | 0.78 | 78% | 0.782 | S | S | * | * | trans | 74.6 | 88.7 | 155.5 | -88.5 | 145.4 | 0 | 0 | 0 | 119.9 | ||||
| 340 | L | 29.7 | Very low | 28.9 | Very low | 158 Ų | 158 | 131 Ų | 131 | 83% | 0.827 | 78% | 0.778 | S | S | * | * | 25.4 | 117.2 | 123.4 | -67.7 | 164.1 | 0 | 0 | 0 | 119.4 | |||||
| 341 | Q | 27.8 | Very low | 29.6 | Very low | 193 Ų | 193 | 131.3 Ų | 131.3 | 90% | 0.902 | 78% | 0.781 | S | S | * | * | trans | -142.8 | 145.6 | 132.5 | -109.7 | -177.1 | 36.2 | 0 | 0 | 112.4 | ||||
| 342 | T | 28.8 | Very low | 30.2 | Very low | 113 Ų | 113 | 131.5 Ų | 131.5 | 69% | 0.693 | 78% | 0.778 | S | S | * | * | trans | -57.7 | 157.4 | 166.3 | 44.4 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 343 | N | 31.9 | Very low | 30.9 | Very low | 162 Ų | 162 | 129.7 Ų | 129.7 | 87% | 0.866 | 77% | 0.773 | S | S | * | * | cis | -163 | 165.9 | 15.5 | -112.5 | -21.2 | 0 | 0 | 0 | 109.3 | ||||
| 344 | G | 26.1 | Very low | 32 | Very low | 73 Ų | 73 | 127.2 Ų | 127.2 | 75% | 0.753 | 75% | 0.75 | S | S | * | * | trans | 128.4 | 93.6 | 145.6 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 345 | A | 27.5 | Very low | 33.2 | Very low | 97 Ų | 97 | 124 Ų | 124 | 80% | 0.802 | 74% | 0.735 | S | S | * | * | trans | 61.2 | 124.5 | 140.3 | 0 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 346 | K | 32.9 | Very low | 34.3 | Very low | 216 Ų | 216 | 128.3 Ų | 128.3 | 94% | 0.939 | 74% | 0.743 | S | S | * | * | trans | 62.2 | 101.3 | 144.6 | -66.8 | -176.5 | 176.5 | -178.7 | 0 | 119.9 | ||||
| 347 | G | 27.3 | Very low | 36.1 | Very low | 81 Ų | 81 | 126.2 Ų | 126.2 | 84% | 0.835 | 73% | 0.727 | S | S | * | * | trans | -154 | 140.9 | 152 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 348 | S | 39 | Very low | 38.7 | Very low | 129 Ų | 129 | 122.2 Ų | 122.2 | 90% | 0.902 | 69% | 0.693 | S | S | * | * | trans | -102.4 | 110.1 | -174.7 | 55.4 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 349 | S | 31.4 | Very low | 41.1 | Very low | 103 Ų | 103 | 120.4 Ų | 120.4 | 72% | 0.72 | 68% | 0.676 | S | S | * | * | trans | -174.5 | 137.4 | 178.7 | 159.6 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 350 | K | 33.6 | Very low | 43.6 | Very low | 150 Ų | 150 | 120 Ų | 120 | 65% | 0.652 | 67% | 0.67 | S | S | * | * | cis | -152.9 | 163.7 | -2.8 | -101.1 | 165.7 | 178.8 | -176.1 | 0 | 107.1 | ||||
| 351 | M | 36.4 | Very low | 46.3 | Very low | 167 Ų | 167 | 113.7 Ų | 113.7 | 82% | 0.823 | 64% | 0.638 | S | S | * | * | S | Bend | trans | -111.5 | 4.4 | 174.2 | -161.4 | 160.6 | 69.4 | 0 | 0 | 114.3 | ||
| 352 | E | 37 | Very low | 49.1 | Very low | 144 Ų | 144 | 104.7 Ų | 104.7 | 67% | 0.673 | 60% | 0.596 | S | S | * | * | trans | -87 | -29.1 | -168.9 | -63.6 | 168.8 | 129.4 | 0 | 0 | 114 | V354 T355 | E352-V354 PolarHBondContact O-N 3.12Å; E352-V354 VanDerWaalsContact O-N 3.09Å; E352-T355 PolarHBondContact O-N 3.24Å | ||
| 353 | D | 41.1 | Very low | 51.8 | Low | 126 Ų | 126 | 103.3 Ų | 103.3 | 67% | 0.674 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -59.7 | -24.1 | -173.8 | -90.3 | -52.7 | 0 | 0 | 0 | 115.3 | T355 | D353-T355 VanDerWaalsContact C-N 3.3Å; D353-T355 PolarHBondContact O-N 3.42Å |
| 354 | V | 50.7 | Low | 54.2 | Low | 36 Ų | 36 | 98.4 Ų | 98.4 | 22% | 0.218 | 56% | 0.563 | C | S | . | * | H | α-helix | trans | -68.6 | -30 | -171.9 | -176.6 | 0 | 0 | 0 | 0 | 112.3 | E352 Y373 | E352-V354 PolarHBondContact O-N 3.12Å; E352-V354 VanDerWaalsContact O-N 3.09Å; V354-Y373 WeakPolarHBondContact CG1-OH 3.47Å; V354-Y373 PolarHBondContact O-OH 2.76Å; V354-Y373 VanDerWaalsContact O-OH 3.09Å |
| 355 | T | 51.9 | Low | 57 | Low | 75 Ų | 75 | 99 Ų | 99 | 46% | 0.46 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -75.7 | -36.9 | -174.1 | -50.3 | 0 | 0 | 0 | 0 | 112.2 | E352 D353 N357 F358 | E352-T355 PolarHBondContact O-N 3.24Å; D353-T355 VanDerWaalsContact C-N 3.3Å; D353-T355 PolarHBondContact O-N 3.42Å; T355-N357 PolarHBondContact O-N 3.35Å; T355-F358 PolarHBondContact O-N 3.01Å |
| 356 | F | 49.8 | Very low | 60.1 | Low | 176 Ų | 176 | 95.9 Ų | 95.9 | 77% | 0.772 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -64.4 | -40.5 | -177.3 | -162.1 | -97.6 | 0 | 0 | 0 | 112 | F358 | F356-F358 PolarHBondContact O-N 3.16Å |
| 357 | N | 68 | Low | 62.8 | Low | 89 Ų | 89 | 85.8 Ų | 85.8 | 48% | 0.476 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -62.2 | -40.4 | 178.1 | -169.6 | -51.5 | 0 | 0 | 0 | 112.3 | T355 E359 Q360 V361 | T355-N357 PolarHBondContact O-N 3.35Å; N357-E359 PolarHBondContact O-N 3.42Å; N357-Q360 PolarHBondContact O-N 3.01Å; N357-V361 PolarHBondContact O-N 3Å |
| 358 | F | 83 | Confident | 65.9 | Low | 6 Ų | 6 | 86 Ų | 86 | 3% | 0.026 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -66 | -37.3 | -176.7 | -175.7 | -121.9 | 0 | 0 | 0 | 113.5 | T355 F356 Q360 V361 V362 Y373 C396 K399 V400 | T355-F358 PolarHBondContact O-N 3.01Å; F356-F358 PolarHBondContact O-N 3.16Å; F358-Q360 VanDerWaalsContact C-N 3.3Å; F358-Q360 PolarHBondContact O-N 3.02Å; F358-V361 WeakPolarHBondContact O-CB 3.39Å; F358-V361 PolarHBondContact O-N 3.28Å; F358-V361 VanDerWaalsContact O-N 3.12Å; F358-V362 HydrophobicContact CD1-CG2 4.1Å; F358-V362 HydrophobicContact CD2-CG2 4.09Å; F358-V362 HydrophobicContact CE1-CG2 3.56Å; F358-V362 HydrophobicContact CE2-CG2 3.58Å; F358-V362 HydrophobicContact CG-CG2 4.35Å; F358-V362 HydrophobicContact CZ-CG2 3.28Å; F358-V362 PolarHBondContact O-N 2.92Å; F358-Y373 HydrophobicContact CB-CE1 3.94Å; F358-Y373 HydrophobicContact CB-CE2 4.23Å; F358-Y373 AromaticContact CD2-CD1 3.25Å; F358-Y373 HydrophobicContact CD2-CD1 3.25Å; F358-Y373 HydrophobicContact CD2-CD2 4.31Å; F358-Y373 AromaticContact CD2-CE1 3.3Å; F358-Y373 HydrophobicContact CD2-CE1 3.3Å; F358-Y373 HydrophobicContact CD2-CE2 4.32Å; F358-Y373 AromaticContact CD2-CG 3.81Å; F358-Y373 HydrophobicContact CD2-CG 3.81Å; F358-Y373 AromaticContact CD2-CZ 3.87Å; F358-Y373 AromaticContact CE2-CD1 3.65Å; F358-Y373 HydrophobicContact CE2-CD1 3.65Å; F358-Y373 HydrophobicContact CE2-CE1 4.03Å; F358-Y373 HydrophobicContact CE2-CG 4.31Å; F358-Y373 HydrophobicContact CG-CD1 4.24Å; F358-Y373 AromaticContact CG-CE1 3.84Å; F358-Y373 HydrophobicContact CG-CE1 3.84Å; F358-C396 HydrophobicContact CD1-CB 4.31Å; F358-C396 HydrophobicContact CE1-CB 3.61Å; F358-C396 HydrophobicContact CE2-CB 4.22Å; F358-C396 HydrophobicContact CZ-CB 3.53Å; F358-C396 WeakPolarHBondContact CZ-O 3.3Å; F358-K399 HydrophobicContact CD1-CD 4.3Å; F358-K399 HydrophobicContact CE1-CB 3.89Å; F358-K399 HydrophobicContact CE1-CD 4.1Å; F358-V400 HydrophobicContact CZ-CG2 4Å |
| 359 | E | 81.1 | Confident | 68.2 | Low | 85 Ų | 85 | 82.2 Ų | 82.2 | 40% | 0.397 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -67.3 | -35 | -178.9 | -54.2 | -141.7 | 149.5 | 0 | 0 | 111.3 | N357 V361 V362 N363 K399 | N357-E359 PolarHBondContact O-N 3.42Å; E359-V361 VanDerWaalsContact C-N 3.35Å; E359-V361 PolarHBondContact O-N 3.43Å; E359-V362 PolarHBondContact O-N 2.72Å; E359-N363 VanDerWaalsContact O-CB 3.23Å; E359-N363 WeakPolarHBondContact O-CB 3.48Å; E359-N363 PolarHBondContact O-N 2.93Å; E359-N363 PolarHBondContact O-ND2 3.4Å; E359-K399 IonicContact OE1-NZ 2.69Å; E359-K399 PolarHBondContact OE1-NZ 3.34Å |
| 360 | Q | 80.9 | Confident | 71.1 | Confident | 140 Ų | 140 | 77.3 Ų | 77.3 | 65% | 0.654 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -61.7 | -40.7 | 170.9 | -168.7 | 177.2 | 10.2 | 0 | 0 | 112 | N357 F358 S364 | N357-Q360 PolarHBondContact O-N 3.01Å; F358-Q360 VanDerWaalsContact C-N 3.3Å; F358-Q360 PolarHBondContact O-N 3.02Å; Q360-S364 PolarHBondContact O-N 2.91Å |
| 361 | V | 86.2 | Confident | 73.8 | Confident | 26 Ų | 26 | 72 Ų | 72 | 16% | 0.158 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -64.4 | -47.4 | 175.5 | 174.5 | 0 | 0 | 0 | 0 | 111.6 | N357 F358 E359 N363 S364 S369 Y373 | N357-V361 PolarHBondContact O-N 3Å; F358-V361 WeakPolarHBondContact O-CB 3.39Å; F358-V361 PolarHBondContact O-N 3.28Å; F358-V361 VanDerWaalsContact O-N 3.12Å; E359-V361 VanDerWaalsContact C-N 3.35Å; E359-V361 PolarHBondContact O-N 3.43Å; V361-N363 VanDerWaalsContact C-N 3.34Å; V361-N363 PolarHBondContact O-N 2.91Å; V361-S364 VanDerWaalsContact O-CB 3.3Å; V361-S364 WeakPolarHBondContact O-CB 3.48Å; V361-S364 PolarHBondContact O-N 3.37Å; V361-S364 VanDerWaalsContact O-N 3.17Å; V361-S364 PolarHBondContact O-OG 2.66Å; V361-S369 WeakPolarHBondContact CG1-O 3.41Å; V361-Y373 HydrophobicContact CG2-CD2 3.97Å; V361-Y373 HydrophobicContact CG2-CG 4.5Å |
| 362 | V | 85.8 | Confident | 76.4 | Confident | 5 Ų | 5 | 66.9 Ų | 66.9 | 3% | 0.03 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -67.3 | -36.1 | 179.3 | -177.9 | 0 | 0 | 0 | 0 | 111.5 | F358 E359 S364 N365 V400 R403 | F358-V362 HydrophobicContact CD1-CG2 4.1Å; F358-V362 HydrophobicContact CD2-CG2 4.09Å; F358-V362 HydrophobicContact CE1-CG2 3.56Å; F358-V362 HydrophobicContact CE2-CG2 3.58Å; F358-V362 HydrophobicContact CG-CG2 4.35Å; F358-V362 HydrophobicContact CZ-CG2 3.28Å; F358-V362 PolarHBondContact O-N 2.92Å; E359-V362 PolarHBondContact O-N 2.72Å; V362-S364 PolarHBondContact O-N 2.98Å; V362-S364 VanDerWaalsContact O-N 3.17Å; V362-N365 PolarHBondContact O-N 3.42Å; V362-V400 HydrophobicContact CG2-CG2 4.17Å; V362-R403 HydrophobicContact CG1-CB 3.59Å; V362-R403 HydrophobicContact CG1-CG 3.65Å |
| 363 | N | 85.6 | Confident | 78.9 | Confident | 83 Ų | 83 | 61 Ų | 61 | 44% | 0.444 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -63.1 | -16.4 | 174.8 | -72.4 | -25.6 | 0 | 0 | 0 | 113.7 | E359 V361 N365 R403 | E359-N363 VanDerWaalsContact O-CB 3.23Å; E359-N363 WeakPolarHBondContact O-CB 3.48Å; E359-N363 PolarHBondContact O-N 2.93Å; E359-N363 PolarHBondContact O-ND2 3.4Å; V361-N363 VanDerWaalsContact C-N 3.34Å; V361-N363 PolarHBondContact O-N 2.91Å; N363-N365 PolarHBondContact O-N 3.25Å; N363-R403 PolarHBondContact OD1-NH1 3.28Å; N363-R403 PolarHBondContact OD1-NH2 2.77Å |
| 364 | S | 83.9 | Confident | 81.3 | Confident | 59 Ų | 59 | 55 Ų | 55 | 41% | 0.413 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -10.8 | 175.9 | 74.7 | 0 | 0 | 0 | 0 | 114.4 | Q360 V361 V362 S366 | Q360-S364 PolarHBondContact O-N 2.91Å; V361-S364 VanDerWaalsContact O-CB 3.3Å; V361-S364 WeakPolarHBondContact O-CB 3.48Å; V361-S364 PolarHBondContact O-N 3.37Å; V361-S364 VanDerWaalsContact O-N 3.17Å; V361-S364 PolarHBondContact O-OG 2.66Å; V362-S364 PolarHBondContact O-N 2.98Å; V362-S364 VanDerWaalsContact O-N 3.17Å; S364-S366 PolarHBondContact O-N 3.48Å; S364-S366 VanDerWaalsContact O-N 3.13Å; S364-S366 WeakPolarHBondContact OG-CB 3.07Å; S364-S366 PolarHBondContact OG-N 3Å |
| 365 | N | 84.3 | Confident | 83.2 | Confident | 87 Ų | 87 | 55.3 Ų | 55.3 | 47% | 0.465 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57 | 19.7 | -175.6 | -62 | -47.1 | 0 | 0 | 0 | 115.2 | V362 N363 L404 Y409 | V362-N365 PolarHBondContact O-N 3.42Å; N363-N365 PolarHBondContact O-N 3.25Å; N365-L404 HydrophobicContact CB-CD2 4.32Å; N365-Y409 PolarHBondContact O-OH 2.71Å |
| 366 | S | 91.8 | Very high | 84.9 | Confident | 30 Ų | 30 | 54.2 Ų | 54.2 | 21% | 0.21 | 29% | 0.291 | C | S | . | . | trans | -103.4 | 111.4 | -177.1 | 171.5 | 0 | 0 | 0 | 0 | 111.7 | S364 E368 S369 C370 | S364-S366 PolarHBondContact O-N 3.48Å; S364-S366 VanDerWaalsContact O-N 3.13Å; S364-S366 WeakPolarHBondContact OG-CB 3.07Å; S364-S366 PolarHBondContact OG-N 3Å; S366-E368 VanDerWaalsContact C-N 3.26Å; S366-E368 PolarHBondContact O-N 2.99Å; S366-S369 WeakPolarHBondContact CB-OG 3.45Å; S366-S369 PolarHBondContact O-N 2.98Å; S366-S369 WeakPolarHBondContact OG-CB 3.26Å; S366-S369 PolarHBondContact OG-N 3.39Å; S366-S369 VanDerWaalsContact OG-N 3.11Å; S366-S369 PolarHBondContact OG-OG 2.73Å; S366-C370 PolarHBondContact O-N 3.46Å; S366-C370 PolarHBondContact O-SG 2.74Å | ||
| 367 | P | 90.6 | Very high | 86.7 | Confident | 4 Ų | 4 | 46 Ų | 46 | 3% | 0.026 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -58.7 | -36.4 | 172.3 | -22.1 | 31.3 | 0 | 0 | 0 | 113.1 | C370 W371 L404 Y409 N412 Y415 | P367-C370 PolarHBondContact O-N 2.59Å; P367-W371 WeakPolarHBondContact O-CB 3.21Å; P367-W371 PolarHBondContact O-N 3.26Å; P367-L404 HydrophobicContact CB-CD1 4.36Å; P367-L404 HydrophobicContact CG-CD1 4.08Å; P367-Y409 HydrophobicContact CG-CD1 3.31Å; P367-Y409 HydrophobicContact CG-CE1 3.58Å; P367-Y409 HydrophobicContact CG-CG 4.12Å; P367-N412 WeakPolarHBondContact CB-OD1 3.32Å; P367-Y415 HydrophobicContact CB-CD2 4.45Å; P367-Y415 HydrophobicContact CG-CD2 4.49Å |
| 368 | E | 91.6 | Very high | 87.7 | Confident | 85 Ų | 85 | 42.5 Ų | 42.5 | 40% | 0.397 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -60.7 | -47.7 | 177.7 | -73.8 | 56 | -133.4 | 0 | 0 | 111.1 | S366 W371 A372 N412 S414 | S366-E368 VanDerWaalsContact C-N 3.26Å; S366-E368 PolarHBondContact O-N 2.99Å; E368-W371 PolarHBondContact O-N 3.13Å; E368-A372 WeakPolarHBondContact O-CB 3.18Å; E368-A372 PolarHBondContact O-N 3.36Å; E368-N412 PolarHBondContact OE1-ND2 3.2Å; E368-N412 PolarHBondContact OE1-OD1 3.25Å; E368-N412 PolarHBondContact OE2-ND2 2.8Å; E368-S414 VanDerWaalsContact CD-OG 3.28Å; E368-S414 WeakPolarHBondContact CG-OG 3.4Å; E368-S414 WeakPolarHBondContact OE1-CB 3.32Å; E368-S414 PolarHBondContact OE1-OG 3.03Å |
| 369 | S | 88.6 | Confident | 88 | Confident | 51 Ų | 51 | 51.1 Ų | 51.1 | 36% | 0.357 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -67.1 | -38.9 | 178.2 | -54.2 | 0 | 0 | 0 | 0 | 111.5 | V361 S366 Y373 | V361-S369 WeakPolarHBondContact CG1-O 3.41Å; S366-S369 WeakPolarHBondContact CB-OG 3.45Å; S366-S369 PolarHBondContact O-N 2.98Å; S366-S369 WeakPolarHBondContact OG-CB 3.26Å; S366-S369 PolarHBondContact OG-N 3.39Å; S366-S369 VanDerWaalsContact OG-N 3.11Å; S366-S369 PolarHBondContact OG-OG 2.73Å; S369-Y373 PolarHBondContact O-N 2.89Å |
| 370 | C | 90.8 | Very high | 88.2 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -63.2 | -46.9 | 174.1 | -65.8 | 0 | 0 | 0 | 0 | 111.7 | S366 P367 Y373 L374 V400 I418 | S366-C370 PolarHBondContact O-N 3.46Å; S366-C370 PolarHBondContact O-SG 2.74Å; P367-C370 PolarHBondContact O-N 2.59Å; C370-Y373 PolarHBondContact O-N 3.34Å; C370-L374 WeakPolarHBondContact O-CB 3.15Å; C370-L374 WeakPolarHBondContact O-CD1 3.26Å; C370-L374 WeakPolarHBondContact O-CG 3.33Å; C370-L374 PolarHBondContact O-N 3.18Å; C370-V400 HydrophobicContact CB-CG1 4.32Å; C370-V400 HydrophobicContact CB-CG2 3.97Å; C370-I418 HydrophobicContact CB-CD1 4.02Å |
| 371 | W | 91.2 | Very high | 88.4 | Confident | 37 Ų | 37 | 49.5 Ų | 49.5 | 14% | 0.14 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61 | -47.7 | 177.5 | 178.5 | -109.5 | 0 | 0 | 0 | 111.4 | P367 E368 Y373 L374 M375 R417 I418 R421 | P367-W371 WeakPolarHBondContact O-CB 3.21Å; P367-W371 PolarHBondContact O-N 3.26Å; E368-W371 PolarHBondContact O-N 3.13Å; W371-Y373 VanDerWaalsContact C-N 3.34Å; W371-Y373 PolarHBondContact O-N 2.91Å; W371-L374 PolarHBondContact O-N 3.34Å; W371-M375 HydrophobicContact CD2-CG 4.01Å; W371-M375 HydrophobicContact CE3-CE 4.17Å; W371-M375 HydrophobicContact CE3-CG 4.46Å; W371-M375 HydrophobicContact CG-CG 4.43Å; W371-M375 HydrophobicContact CH2-CE 3.59Å; W371-M375 HydrophobicContact CH2-CG 4.41Å; W371-M375 HydrophobicContact CH2-SD 3.77Å; W371-M375 HydrophobicContact CZ2-CE 4.04Å; W371-M375 HydrophobicContact CZ2-CG 3.91Å; W371-M375 HydrophobicContact CZ2-SD 3.59Å; W371-M375 VanDerWaalsContact CZ2-SD 3.59Å; W371-M375 HydrophobicContact CZ3-CE 3.67Å; W371-M375 HydrophobicContact CZ3-SD 4.33Å; W371-M375 WeakPolarHBondContact O-CB 3.39Å; W371-M375 VanDerWaalsContact O-CG 3.3Å; W371-M375 WeakPolarHBondContact O-CG 3.3Å; W371-M375 PolarHBondContact O-N 2.65Å; W371-R417 HydrophobicContact CD2-CB 4.13Å; W371-R417 HydrophobicContact CE3-CB 4.02Å; W371-R417 HydrophobicContact CH2-CB 3.81Å; W371-R417 HydrophobicContact CZ2-CB 3.93Å; W371-R417 HydrophobicContact CZ2-CG 4.44Å; W371-R417 HydrophobicContact CZ3-CB 3.85Å; W371-I418 HydrophobicContact CB-CD1 4.14Å; W371-I418 HydrophobicContact CB-CG1 4.16Å; W371-I418 HydrophobicContact CD2-CG1 4.45Å; W371-I418 HydrophobicContact CE3-CG1 3.65Å; W371-I418 HydrophobicContact CZ3-CG1 4.46Å; W371-R421 HydrophobicContact CH2-CB 4.09Å; W371-R421 HydrophobicContact CH2-CG 4.45Å; W371-R421 HydrophobicContact CZ3-CB 3.82Å; W371-R421 HydrophobicContact CZ3-CG 4.35Å |
| 372 | A | 90.3 | Very high | 88.4 | Confident | 60 Ų | 60 | 51.7 Ų | 51.7 | 50% | 0.496 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -58.7 | -43.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | E368 S376 | E368-A372 WeakPolarHBondContact O-CB 3.18Å; E368-A372 PolarHBondContact O-N 3.36Å; A372-S376 WeakPolarHBondContact O-CB 3.3Å; A372-S376 PolarHBondContact O-N 3.46Å |
| 373 | Y | 90.4 | Very high | 88.5 | Confident | 22 Ų | 22 | 51.8 Ų | 51.8 | 9% | 0.086 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -64.1 | -48.4 | 175.1 | -176.6 | -78.3 | 0 | 0 | 0 | 111.8 | V354 F358 V361 S369 C370 W371 M375 S376 L377 | V354-Y373 WeakPolarHBondContact CG1-OH 3.47Å; V354-Y373 PolarHBondContact O-OH 2.76Å; V354-Y373 VanDerWaalsContact O-OH 3.09Å; F358-Y373 HydrophobicContact CB-CE1 3.94Å; F358-Y373 HydrophobicContact CB-CE2 4.23Å; F358-Y373 AromaticContact CD2-CD1 3.25Å; F358-Y373 HydrophobicContact CD2-CD1 3.25Å; F358-Y373 HydrophobicContact CD2-CD2 4.31Å; F358-Y373 AromaticContact CD2-CE1 3.3Å; F358-Y373 HydrophobicContact CD2-CE1 3.3Å; F358-Y373 HydrophobicContact CD2-CE2 4.32Å; F358-Y373 AromaticContact CD2-CG 3.81Å; F358-Y373 HydrophobicContact CD2-CG 3.81Å; F358-Y373 AromaticContact CD2-CZ 3.87Å; F358-Y373 AromaticContact CE2-CD1 3.65Å; F358-Y373 HydrophobicContact CE2-CD1 3.65Å; F358-Y373 HydrophobicContact CE2-CE1 4.03Å; F358-Y373 HydrophobicContact CE2-CG 4.31Å; F358-Y373 HydrophobicContact CG-CD1 4.24Å; F358-Y373 AromaticContact CG-CE1 3.84Å; F358-Y373 HydrophobicContact CG-CE1 3.84Å; V361-Y373 HydrophobicContact CG2-CD2 3.97Å; V361-Y373 HydrophobicContact CG2-CG 4.5Å; S369-Y373 PolarHBondContact O-N 2.89Å; C370-Y373 PolarHBondContact O-N 3.34Å; W371-Y373 VanDerWaalsContact C-N 3.34Å; W371-Y373 PolarHBondContact O-N 2.91Å; Y373-M375 VanDerWaalsContact C-N 3.33Å; Y373-M375 PolarHBondContact O-N 3.38Å; Y373-S376 CarbonylContact O-C 3.52Å; Y373-S376 WeakPolarHBondContact O-CA 3.43Å; Y373-S376 WeakPolarHBondContact O-CB 3.04Å; Y373-S376 PolarHBondContact O-N 2.98Å; Y373-S376 PolarHBondContact O-OG 3.33Å; Y373-L377 HydrophobicContact CE1-CB 4.22Å; Y373-L377 HydrophobicContact CE1-CD2 4.16Å; Y373-L377 PolarHBondContact O-N 2.57Å |
| 374 | L | 91.4 | Very high | 88.4 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -58.3 | -44.3 | -179.3 | -73.6 | 163.5 | 0 | 0 | 0 | 111.3 | C370 W371 S376 L377 E378 C396 Y397 V400 I418 | C370-L374 WeakPolarHBondContact O-CB 3.15Å; C370-L374 WeakPolarHBondContact O-CD1 3.26Å; C370-L374 WeakPolarHBondContact O-CG 3.33Å; C370-L374 PolarHBondContact O-N 3.18Å; W371-L374 PolarHBondContact O-N 3.34Å; L374-S376 PolarHBondContact O-N 3.44Å; L374-L377 PolarHBondContact O-N 2.87Å; L374-E378 WeakPolarHBondContact O-CB 3.43Å; L374-E378 PolarHBondContact O-N 3.29Å; L374-C396 HydrophobicContact CD2-CB 3.61Å; L374-Y397 HydrophobicContact CD1-CD1 3.91Å; L374-Y397 HydrophobicContact CD1-CE1 3.66Å; L374-Y397 HydrophobicContact CD1-CE2 4.45Å; L374-Y397 HydrophobicContact CD1-CG 4.4Å; L374-Y397 HydrophobicContact CD2-CD2 3.97Å; L374-Y397 HydrophobicContact CD2-CE2 3.88Å; L374-Y397 HydrophobicContact CD2-CG 4.27Å; L374-V400 HydrophobicContact CD1-CG2 4.22Å; L374-I418 HydrophobicContact CD1-CD1 4.45Å; L374-I418 HydrophobicContact CD1-CG1 4.2Å; L374-I418 HydrophobicContact CD1-CG2 4.48Å |
| 375 | M | 89.9 | Confident | 88.5 | Confident | 42 Ų | 42 | 55.8 Ų | 55.8 | 21% | 0.207 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -64.1 | -36.2 | 172.8 | -65.8 | -64.6 | 97.7 | 0 | 0 | 112.6 | W371 Y373 L377 E378 K379 R421 | W371-M375 HydrophobicContact CD2-CG 4.01Å; W371-M375 HydrophobicContact CE3-CE 4.17Å; W371-M375 HydrophobicContact CE3-CG 4.46Å; W371-M375 HydrophobicContact CG-CG 4.43Å; W371-M375 HydrophobicContact CH2-CE 3.59Å; W371-M375 HydrophobicContact CH2-CG 4.41Å; W371-M375 HydrophobicContact CH2-SD 3.77Å; W371-M375 HydrophobicContact CZ2-CE 4.04Å; W371-M375 HydrophobicContact CZ2-CG 3.91Å; W371-M375 HydrophobicContact CZ2-SD 3.59Å; W371-M375 VanDerWaalsContact CZ2-SD 3.59Å; W371-M375 HydrophobicContact CZ3-CE 3.67Å; W371-M375 HydrophobicContact CZ3-SD 4.33Å; W371-M375 WeakPolarHBondContact O-CB 3.39Å; W371-M375 VanDerWaalsContact O-CG 3.3Å; W371-M375 WeakPolarHBondContact O-CG 3.3Å; W371-M375 PolarHBondContact O-N 2.65Å; Y373-M375 VanDerWaalsContact C-N 3.33Å; Y373-M375 PolarHBondContact O-N 3.38Å; M375-L377 VanDerWaalsContact C-N 3.29Å; M375-L377 PolarHBondContact O-N 3.11Å; M375-E378 WeakPolarHBondContact CE-OE2 3.12Å; M375-K379 WeakPolarHBondContact O-CB 3.45Å; M375-K379 VanDerWaalsContact O-CG 3.26Å; M375-K379 WeakPolarHBondContact O-CG 3.41Å; M375-K379 PolarHBondContact O-N 2.82Å; M375-R421 HydrophobicContact CE-CG 4.19Å |
| 376 | S | 88.1 | Confident | 88.7 | Confident | 51 Ų | 51 | 54.8 Ų | 54.8 | 36% | 0.357 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -71.8 | -20.3 | 174.9 | 85.6 | 0 | 0 | 0 | 0 | 114.3 | A372 Y373 L374 R380 | A372-S376 WeakPolarHBondContact O-CB 3.3Å; A372-S376 PolarHBondContact O-N 3.46Å; Y373-S376 CarbonylContact O-C 3.52Å; Y373-S376 WeakPolarHBondContact O-CA 3.43Å; Y373-S376 WeakPolarHBondContact O-CB 3.04Å; Y373-S376 PolarHBondContact O-N 2.98Å; Y373-S376 PolarHBondContact O-OG 3.33Å; L374-S376 PolarHBondContact O-N 3.44Å; S376-R380 WeakPolarHBondContact O-CG 3.48Å; S376-R380 PolarHBondContact O-NE 3.18Å |
| 377 | L | 87.6 | Confident | 88.5 | Confident | 5 Ų | 5 | 59.1 Ų | 59.1 | 3% | 0.026 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -84.8 | -44.5 | 173.2 | 177.3 | 60.5 | 0 | 0 | 0 | 110.1 | Y373 L374 M375 K379 R380 L389 K392 L393 | Y373-L377 HydrophobicContact CE1-CB 4.22Å; Y373-L377 HydrophobicContact CE1-CD2 4.16Å; Y373-L377 PolarHBondContact O-N 2.57Å; L374-L377 PolarHBondContact O-N 2.87Å; M375-L377 VanDerWaalsContact C-N 3.29Å; M375-L377 PolarHBondContact O-N 3.11Å; L377-K379 PolarHBondContact O-N 2.92Å; L377-R380 WeakPolarHBondContact O-CB 3.46Å; L377-R380 WeakPolarHBondContact O-CG 3.42Å; L377-R380 PolarHBondContact O-N 3.03Å; L377-L389 HydrophobicContact CD1-CD1 4.24Å; L377-L389 HydrophobicContact CG-CD1 4.22Å; L377-K392 HydrophobicContact CD2-CG 4.41Å; L377-L393 HydrophobicContact CB-CD2 4.28Å; L377-L393 HydrophobicContact CD2-CD2 3.9Å; L377-L393 HydrophobicContact CD2-CG 4.48Å; L377-L393 HydrophobicContact CG-CD2 3.95Å |
| 378 | E | 89.5 | Confident | 88.3 | Confident | 15 Ų | 15 | 63.2 Ų | 63.2 | 7% | 0.07 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -64.2 | -38.5 | 178.4 | -169.6 | 162.3 | -174.3 | 0 | 0 | 112.2 | L374 M375 R380 G381 L393 R421 | L374-E378 WeakPolarHBondContact O-CB 3.43Å; L374-E378 PolarHBondContact O-N 3.29Å; M375-E378 WeakPolarHBondContact CE-OE2 3.12Å; E378-R380 PolarHBondContact O-N 3.12Å; E378-G381 PolarHBondContact O-N 2.73Å; E378-L393 HydrophobicContact CB-CD1 4.09Å; E378-L393 HydrophobicContact CB-CD2 4.03Å; E378-L393 HydrophobicContact CG-CD1 3.96Å; E378-R421 IonicContact OE1-CZ 3.72Å; E378-R421 VanDerWaalsContact OE1-CZ 3.23Å; E378-R421 IonicContact OE1-NE 3.71Å; E378-R421 PolarHBondContact OE1-NE 3.43Å; E378-R421 IonicContact OE1-NH2 2.78Å; E378-R421 PolarHBondContact OE1-NH2 3.21Å; E378-R421 IonicContact OE2-NE 2.77Å; E378-R421 PolarHBondContact OE2-NE 2.96Å |
| 379 | K | 88 | Confident | 88.2 | Confident | 186 Ų | 186 | 59.8 Ų | 59.8 | 81% | 0.809 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -0.5 | 173 | -78.9 | 178.6 | 178 | -175.1 | 0 | 115.5 | M375 L377 | M375-K379 WeakPolarHBondContact O-CB 3.45Å; M375-K379 VanDerWaalsContact O-CG 3.26Å; M375-K379 WeakPolarHBondContact O-CG 3.41Å; M375-K379 PolarHBondContact O-N 2.82Å; L377-K379 PolarHBondContact O-N 2.92Å |
| 380 | R | 85.3 | Confident | 88.3 | Confident | 150 Ų | 150 | 57.6 Ų | 57.6 | 57% | 0.566 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.8 | -5.8 | 178.3 | -54.5 | -178 | -167.2 | -158.8 | 2.5 | 113.9 | S376 L377 E378 | S376-R380 WeakPolarHBondContact O-CG 3.48Å; S376-R380 PolarHBondContact O-NE 3.18Å; L377-R380 WeakPolarHBondContact O-CB 3.46Å; L377-R380 WeakPolarHBondContact O-CG 3.42Å; L377-R380 PolarHBondContact O-N 3.03Å; E378-R380 PolarHBondContact O-N 3.12Å |
| 381 | G | 86.2 | Confident | 88.1 | Confident | 42 Ų | 42 | 60.7 Ų | 60.7 | 43% | 0.433 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -172 | -158.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | E378 | E378-G381 PolarHBondContact O-N 2.73Š|
| 382 | N | 86.5 | Confident | 88.1 | Confident | 72 Ų | 72 | 62.2 Ų | 62.2 | 39% | 0.385 | 34% | 0.335 | S | S | . | . | trans | -123.8 | 117.1 | 173.6 | 177.4 | 6.2 | 0 | 0 | 0 | 109.3 | H384 T385 D386 | N382-H384 PolarHBondContact O-N 2.8Å; N382-H384 VanDerWaalsContact O-N 3.13Å; N382-H384 PolarHBondContact OD1-N 3.04Å; N382-H384 VanDerWaalsContact OD1-N 3.12Å; N382-H384 PolarHBondContact OD1-ND1 3Å; N382-T385 PolarHBondContact O-N 2.74Å; N382-T385 PolarHBondContact O-OG1 2.97Å; N382-D386 PolarHBondContact O-N 3.24Å | ||
| 383 | P | 87 | Confident | 88.1 | Confident | 6 Ų | 6 | 59.4 Ų | 59.4 | 4% | 0.039 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65 | -15.2 | -177.7 | 26.8 | -35.6 | 0 | 0 | 0 | 114.1 | T385 L390 L393 L425 I428 | P383-T385 VanDerWaalsContact C-N 3.3Å; P383-L390 HydrophobicContact CB-CB 4.26Å; P383-L390 HydrophobicContact CB-CD1 4.24Å; P383-L393 HydrophobicContact CB-CD1 4.21Å; P383-L425 HydrophobicContact CB-CD2 3.62Å; P383-L425 HydrophobicContact CG-CD2 3.65Å; P383-I428 HydrophobicContact CB-CD1 4.08Å; P383-I428 HydrophobicContact CG-CD1 4.28Å |
| 384 | H | 82.6 | Confident | 88.1 | Confident | 116 Ų | 116 | 59.2 Ų | 59.2 | 54% | 0.537 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -14 | 174.4 | -53.9 | 86.6 | 0 | 0 | 0 | 113.4 | N382 | N382-H384 PolarHBondContact O-N 2.8Å; N382-H384 VanDerWaalsContact O-N 3.13Å; N382-H384 PolarHBondContact OD1-N 3.04Å; N382-H384 VanDerWaalsContact OD1-N 3.12Å; N382-H384 PolarHBondContact OD1-ND1 3Å |
| 385 | T | 86.4 | Confident | 88 | Confident | 110 Ų | 110 | 64.1 Ų | 64.1 | 68% | 0.675 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -124.8 | -27.8 | -178.1 | 58.1 | 0 | 0 | 0 | 0 | 112.9 | N382 P383 | N382-T385 PolarHBondContact O-N 2.74Å; N382-T385 PolarHBondContact O-OG1 2.97Å; P383-T385 VanDerWaalsContact C-N 3.3Å |
| 386 | D | 89.1 | Confident | 88 | Confident | 66 Ų | 66 | 62.7 Ų | 62.7 | 35% | 0.353 | 33% | 0.331 | S | S | . | . | trans | -102.2 | 96.2 | 176.1 | -175.9 | -9.3 | 0 | 0 | 0 | 110.8 | N382 S388 L389 L390 | N382-D386 PolarHBondContact O-N 3.24Å; D386-S388 PolarHBondContact O-N 2.68Å; D386-S388 WeakPolarHBondContact OD1-CA 3.44Å; D386-S388 WeakPolarHBondContact OD1-CB 3.44Å; D386-S388 PolarHBondContact OD1-N 3.5Å; D386-L389 HydrophobicContact CB-CB 3.86Å; D386-L389 VanDerWaalsContact CG-CB 3.42Å; D386-L389 PolarHBondContact O-N 3.31Å; D386-L389 PolarHBondContact OD1-N 3.02Å; D386-L389 WeakPolarHBondContact OD2-CB 3.21Å; D386-L390 WeakPolarHBondContact O-CB 3.41Å; D386-L390 PolarHBondContact O-N 2.9Å | ||
| 387 | I | 86.8 | Confident | 88.1 | Confident | 121 Ų | 121 | 60.2 Ų | 60.2 | 62% | 0.621 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -63.8 | -27.7 | 177.1 | -61.6 | 170.2 | 0 | 0 | 0 | 111.4 | N391 | I387-N391 WeakPolarHBondContact CG2-ND2 3.38Å; I387-N391 WeakPolarHBondContact O-CB 3.5Å; I387-N391 PolarHBondContact O-N 2.88Å; I387-N391 PolarHBondContact O-ND2 2.8Å |
| 388 | S | 87.6 | Confident | 88.2 | Confident | 91 Ų | 91 | 62.3 Ų | 62.3 | 64% | 0.636 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -71.7 | -46.4 | 177.3 | -169.3 | 0 | 0 | 0 | 0 | 110.6 | D386 N391 K392 | D386-S388 PolarHBondContact O-N 2.68Å; D386-S388 WeakPolarHBondContact OD1-CA 3.44Å; D386-S388 WeakPolarHBondContact OD1-CB 3.44Å; D386-S388 PolarHBondContact OD1-N 3.5Å; S388-N391 PolarHBondContact O-N 2.88Å; S388-K392 VanDerWaalsContact O-CB 3.32Å; S388-K392 WeakPolarHBondContact O-CB 3.35Å; S388-K392 PolarHBondContact O-N 2.87Å |
| 389 | L | 89.5 | Confident | 88.2 | Confident | 13 Ų | 13 | 65.5 Ų | 65.5 | 7% | 0.068 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -61.5 | -43.3 | 172.4 | 178 | 60.9 | 0 | 0 | 0 | 111.8 | L377 D386 K392 L393 | L377-L389 HydrophobicContact CD1-CD1 4.24Å; L377-L389 HydrophobicContact CG-CD1 4.22Å; D386-L389 HydrophobicContact CB-CB 3.86Å; D386-L389 VanDerWaalsContact CG-CB 3.42Å; D386-L389 PolarHBondContact O-N 3.31Å; D386-L389 PolarHBondContact OD1-N 3.02Å; D386-L389 WeakPolarHBondContact OD2-CB 3.21Å; L389-K392 PolarHBondContact O-N 3.06Å; L389-L393 HydrophobicContact CD1-CD1 4.07Å; L389-L393 HydrophobicContact CD1-CG 4.1Å; L389-L393 HydrophobicContact CG-CD1 3.9Å; L389-L393 HydrophobicContact CG-CG 4.39Å; L389-L393 WeakPolarHBondContact O-CB 3.21Å; L389-L393 VanDerWaalsContact O-CG 3.31Å; L389-L393 WeakPolarHBondContact O-CG 3.34Å; L389-L393 PolarHBondContact O-N 3.1Å |
| 390 | L | 89.1 | Confident | 88.3 | Confident | 4 Ų | 4 | 56.6 Ų | 56.6 | 2% | 0.021 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -60.4 | -47.4 | 177.4 | 175.1 | 56 | 0 | 0 | 0 | 112.1 | P383 D386 L393 K394 L425 I428 E429 | P383-L390 HydrophobicContact CB-CB 4.26Å; P383-L390 HydrophobicContact CB-CD1 4.24Å; D386-L390 WeakPolarHBondContact O-CB 3.41Å; D386-L390 PolarHBondContact O-N 2.9Å; L390-L393 PolarHBondContact O-N 3.41Å; L390-K394 HydrophobicContact CD1-CD 4.29Å; L390-K394 HydrophobicContact CD1-CG 4.27Å; L390-K394 HydrophobicContact CG-CD 4.47Å; L390-K394 WeakPolarHBondContact O-CG 3.35Å; L390-K394 PolarHBondContact O-N 3.47Å; L390-L425 HydrophobicContact CD1-CB 4.06Å; L390-L425 HydrophobicContact CD1-CD2 3.97Å; L390-I428 HydrophobicContact CD1-CD1 4.28Å; L390-I428 HydrophobicContact CD2-CB 4.12Å; L390-I428 HydrophobicContact CD2-CG2 3.87Å; L390-E429 HydrophobicContact CD2-CG 3.95Å |
| 391 | N | 88.4 | Confident | 88.6 | Confident | 65 Ų | 65 | 51.9 Ų | 51.9 | 35% | 0.348 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -62.2 | -46.1 | 175 | -78.2 | -71.8 | 0 | 0 | 0 | 111.9 | I387 S388 L393 K394 D395 | I387-N391 WeakPolarHBondContact CG2-ND2 3.38Å; I387-N391 WeakPolarHBondContact O-CB 3.5Å; I387-N391 PolarHBondContact O-N 2.88Å; I387-N391 PolarHBondContact O-ND2 2.8Å; S388-N391 PolarHBondContact O-N 2.88Å; N391-L393 VanDerWaalsContact C-N 3.3Å; N391-L393 PolarHBondContact O-N 2.94Å; N391-K394 PolarHBondContact O-N 3.32Å; N391-K394 VanDerWaalsContact OD1-CE 3.26Å; N391-K394 WeakPolarHBondContact OD1-CE 3.42Å; N391-K394 PolarHBondContact OD1-NZ 2.76Å; N391-D395 PolarHBondContact O-N 3.49Å |
| 392 | K | 89.8 | Confident | 88.5 | Confident | 70 Ų | 70 | 54.1 Ų | 54.1 | 30% | 0.304 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -61.4 | -36.1 | 177.1 | -170.8 | 170.2 | -176.2 | 165.9 | 0 | 113.1 | L377 S388 L389 C396 | L377-K392 HydrophobicContact CD2-CG 4.41Å; S388-K392 VanDerWaalsContact O-CB 3.32Å; S388-K392 WeakPolarHBondContact O-CB 3.35Å; S388-K392 PolarHBondContact O-N 2.87Å; L389-K392 PolarHBondContact O-N 3.06Å; K392-C396 WeakPolarHBondContact O-CB 3.44Å; K392-C396 PolarHBondContact O-N 3.44Å; K392-C396 VanDerWaalsContact O-N 3.1Å; K392-C396 PolarHBondContact O-SG 2.73Å |
| 393 | L | 90.6 | Very high | 88.6 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -65.3 | -53.7 | 172.5 | -77.7 | 166.3 | 0 | 0 | 0 | 110.5 | L377 E378 P383 L389 L390 N391 D395 C396 Y397 L425 | L377-L393 HydrophobicContact CB-CD2 4.28Å; L377-L393 HydrophobicContact CD2-CD2 3.9Å; L377-L393 HydrophobicContact CD2-CG 4.48Å; L377-L393 HydrophobicContact CG-CD2 3.95Å; E378-L393 HydrophobicContact CB-CD1 4.09Å; E378-L393 HydrophobicContact CB-CD2 4.03Å; E378-L393 HydrophobicContact CG-CD1 3.96Å; P383-L393 HydrophobicContact CB-CD1 4.21Å; L389-L393 HydrophobicContact CD1-CD1 4.07Å; L389-L393 HydrophobicContact CD1-CG 4.1Å; L389-L393 HydrophobicContact CG-CD1 3.9Å; L389-L393 HydrophobicContact CG-CG 4.39Å; L389-L393 WeakPolarHBondContact O-CB 3.21Å; L389-L393 VanDerWaalsContact O-CG 3.31Å; L389-L393 WeakPolarHBondContact O-CG 3.34Å; L389-L393 PolarHBondContact O-N 3.1Å; L390-L393 PolarHBondContact O-N 3.41Å; N391-L393 VanDerWaalsContact C-N 3.3Å; N391-L393 PolarHBondContact O-N 2.94Å; L393-D395 VanDerWaalsContact C-N 3.26Å; L393-D395 PolarHBondContact O-N 3.04Å; L393-C396 CarbonylContact O-C 3.59Å; L393-C396 WeakPolarHBondContact O-CA 3.44Å; L393-C396 WeakPolarHBondContact O-CB 3.4Å; L393-C396 PolarHBondContact O-N 3.33Å; L393-Y397 HydrophobicContact CB-CD2 4.4Å; L393-Y397 HydrophobicContact CB-CE2 4.4Å; L393-Y397 HydrophobicContact CD2-CE2 4.32Å; L393-Y397 WeakPolarHBondContact O-CD2 3.48Å; L393-Y397 PolarHBondContact O-N 2.75Å; L393-L425 HydrophobicContact CB-CD1 4.22Å; L393-L425 HydrophobicContact CD1-CD1 4.45Å; L393-L425 HydrophobicContact CD1-CD2 4.45Å |
| 394 | K | 90.4 | Very high | 88.8 | Confident | 19 Ų | 19 | 56.2 Ų | 56.2 | 8% | 0.083 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -54.4 | -40.8 | 178.8 | -70.1 | 176.4 | -52.4 | -176.9 | 0 | 112.3 | L390 N391 Y397 S398 Y422 K426 E429 | L390-K394 HydrophobicContact CD1-CD 4.29Å; L390-K394 HydrophobicContact CD1-CG 4.27Å; L390-K394 HydrophobicContact CG-CD 4.47Å; L390-K394 WeakPolarHBondContact O-CG 3.35Å; L390-K394 PolarHBondContact O-N 3.47Å; N391-K394 PolarHBondContact O-N 3.32Å; N391-K394 VanDerWaalsContact OD1-CE 3.26Å; N391-K394 WeakPolarHBondContact OD1-CE 3.42Å; N391-K394 PolarHBondContact OD1-NZ 2.76Å; K394-Y397 PolarHBondContact O-N 2.95Å; K394-S398 WeakPolarHBondContact O-CB 3.44Å; K394-S398 PolarHBondContact O-N 3.08Å; K394-S398 PolarHBondContact O-OG 3.23Å; K394-Y422 HydrophobicContact CB-CE2 4.26Å; K394-Y422 HydrophobicContact CG-CE2 4.36Å; K394-K426 HydrophobicContact CD-CD 4.09Å; K394-E429 IonicContact NZ-OE1 3.74Å; K394-E429 PolarHBondContact NZ-OE1 3.33Å; K394-E429 IonicContact NZ-OE2 2.76Å; K394-E429 PolarHBondContact NZ-OE2 3.21Å |
| 395 | D | 88.9 | Confident | 88.8 | Confident | 102 Ų | 102 | 54 Ų | 54 | 55% | 0.545 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -63.1 | -44.1 | 174.1 | -77 | -11.4 | 0 | 0 | 0 | 111.9 | N391 L393 S398 K399 | N391-D395 PolarHBondContact O-N 3.49Å; L393-D395 VanDerWaalsContact C-N 3.26Å; L393-D395 PolarHBondContact O-N 3.04Å; D395-S398 PolarHBondContact O-N 2.7Å; D395-K399 WeakPolarHBondContact O-CG 3.11Å; D395-K399 PolarHBondContact O-N 2.78Å |
| 396 | C | 90.3 | Very high | 88.7 | Confident | 12 Ų | 12 | 50.7 Ų | 50.7 | 8% | 0.081 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -63.2 | -46.8 | 176.3 | -69.5 | 0 | 0 | 0 | 0 | 111.8 | F358 L374 K392 L393 S398 K399 V400 | F358-C396 HydrophobicContact CD1-CB 4.31Å; F358-C396 HydrophobicContact CE1-CB 3.61Å; F358-C396 HydrophobicContact CE2-CB 4.22Å; F358-C396 HydrophobicContact CZ-CB 3.53Å; F358-C396 WeakPolarHBondContact CZ-O 3.3Å; L374-C396 HydrophobicContact CD2-CB 3.61Å; K392-C396 WeakPolarHBondContact O-CB 3.44Å; K392-C396 PolarHBondContact O-N 3.44Å; K392-C396 VanDerWaalsContact O-N 3.1Å; K392-C396 PolarHBondContact O-SG 2.73Å; L393-C396 CarbonylContact O-C 3.59Å; L393-C396 WeakPolarHBondContact O-CA 3.44Å; L393-C396 WeakPolarHBondContact O-CB 3.4Å; L393-C396 PolarHBondContact O-N 3.33Å; C396-S398 VanDerWaalsContact C-N 3.33Å; C396-S398 PolarHBondContact O-N 3.19Å; C396-K399 PolarHBondContact O-N 3.32Å; C396-V400 WeakPolarHBondContact O-CG2 3.4Å; C396-V400 PolarHBondContact O-N 2.7Å |
| 397 | Y | 91.7 | Very high | 88.3 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -57.5 | -44.2 | 173.4 | -80.9 | -81 | 0 | 0 | 0 | 111.7 | L374 L393 K394 K399 V400 F401 I418 R421 Y422 L425 | L374-Y397 HydrophobicContact CD1-CD1 3.91Å; L374-Y397 HydrophobicContact CD1-CE1 3.66Å; L374-Y397 HydrophobicContact CD1-CE2 4.45Å; L374-Y397 HydrophobicContact CD1-CG 4.4Å; L374-Y397 HydrophobicContact CD2-CD2 3.97Å; L374-Y397 HydrophobicContact CD2-CE2 3.88Å; L374-Y397 HydrophobicContact CD2-CG 4.27Å; L393-Y397 HydrophobicContact CB-CD2 4.4Å; L393-Y397 HydrophobicContact CB-CE2 4.4Å; L393-Y397 HydrophobicContact CD2-CE2 4.32Å; L393-Y397 WeakPolarHBondContact O-CD2 3.48Å; L393-Y397 PolarHBondContact O-N 2.75Å; K394-Y397 PolarHBondContact O-N 2.95Å; Y397-K399 PolarHBondContact O-N 2.85Å; Y397-V400 WeakPolarHBondContact O-CA 3.38Å; Y397-V400 WeakPolarHBondContact O-CB 3.29Å; Y397-V400 PolarHBondContact O-N 2.8Å; Y397-F401 HydrophobicContact CD1-CZ 4.32Å; Y397-F401 WeakPolarHBondContact O-CD2 3.24Å; Y397-F401 WeakPolarHBondContact O-CG 3.37Å; Y397-F401 PolarHBondContact O-N 3.42Å; Y397-I418 HydrophobicContact CD1-CG2 3.65Å; Y397-I418 HydrophobicContact CE1-CB 4.31Å; Y397-I418 HydrophobicContact CE1-CG2 3.82Å; Y397-I418 WeakPolarHBondContact CE1-O 3.4Å; Y397-R421 HydrophobicContact CE1-CB 4.34Å; Y397-R421 WeakPolarHBondContact OH-CG 3.5Å; Y397-Y422 HydrophobicContact CD1-CD2 4.28Å; Y397-Y422 HydrophobicContact CD1-CG 4.47Å; Y397-Y422 HydrophobicContact CD2-CD2 4.2Å; Y397-Y422 AromaticContact CG-CD2 3.71Å; Y397-Y422 HydrophobicContact CG-CD2 3.71Å; Y397-Y422 HydrophobicContact CG-CG 4.33Å; Y397-L425 HydrophobicContact CD2-CD1 3.89Å; Y397-L425 HydrophobicContact CE2-CD1 3.35Å |
| 398 | S | 89.1 | Confident | 88.2 | Confident | 49 Ų | 49 | 59 Ų | 59 | 34% | 0.343 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -63 | -38.6 | 177.4 | -59.8 | 0 | 0 | 0 | 0 | 112.8 | K394 D395 C396 F401 S402 | K394-S398 WeakPolarHBondContact O-CB 3.44Å; K394-S398 PolarHBondContact O-N 3.08Å; K394-S398 PolarHBondContact O-OG 3.23Å; D395-S398 PolarHBondContact O-N 2.7Å; C396-S398 VanDerWaalsContact C-N 3.33Å; C396-S398 PolarHBondContact O-N 3.19Å; S398-F401 PolarHBondContact O-N 2.72Å; S398-S402 PolarHBondContact O-N 3.31Å; S398-S402 VanDerWaalsContact O-N 3.1Å; S398-S402 PolarHBondContact O-OG 3.11Å |
| 399 | K | 89.3 | Confident | 88.3 | Confident | 81 Ų | 81 | 56.2 Ų | 56.2 | 35% | 0.352 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -63.8 | -36.3 | 170.7 | -78 | -173.1 | 177.9 | -167.7 | 0 | 112.4 | F358 E359 D395 C396 Y397 S402 R403 | F358-K399 HydrophobicContact CD1-CD 4.3Å; F358-K399 HydrophobicContact CE1-CB 3.89Å; F358-K399 HydrophobicContact CE1-CD 4.1Å; E359-K399 IonicContact OE1-NZ 2.69Å; E359-K399 PolarHBondContact OE1-NZ 3.34Å; D395-K399 WeakPolarHBondContact O-CG 3.11Å; D395-K399 PolarHBondContact O-N 2.78Å; C396-K399 PolarHBondContact O-N 3.32Å; Y397-K399 PolarHBondContact O-N 2.85Å; K399-S402 PolarHBondContact O-OG 3.11Å; K399-S402 VanDerWaalsContact O-OG 3.05Å; K399-R403 WeakPolarHBondContact O-CG 3.29Å; K399-R403 PolarHBondContact O-N 2.86Å |
| 400 | V | 89.9 | Confident | 88.1 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -63.6 | -49.3 | 172.5 | 178.3 | 0 | 0 | 0 | 0 | 110.9 | F358 V362 C370 L374 C396 Y397 S402 R403 L404 I418 | F358-V400 HydrophobicContact CZ-CG2 4Å; V362-V400 HydrophobicContact CG2-CG2 4.17Å; C370-V400 HydrophobicContact CB-CG1 4.32Å; C370-V400 HydrophobicContact CB-CG2 3.97Å; L374-V400 HydrophobicContact CD1-CG2 4.22Å; C396-V400 WeakPolarHBondContact O-CG2 3.4Å; C396-V400 PolarHBondContact O-N 2.7Å; Y397-V400 WeakPolarHBondContact O-CA 3.38Å; Y397-V400 WeakPolarHBondContact O-CB 3.29Å; Y397-V400 PolarHBondContact O-N 2.8Å; V400-S402 VanDerWaalsContact C-N 3.31Å; V400-S402 PolarHBondContact O-N 2.91Å; V400-R403 PolarHBondContact O-N 3.08Å; V400-R403 VanDerWaalsContact O-N 3.08Å; V400-L404 HydrophobicContact CG1-CB 4.32Å; V400-L404 HydrophobicContact CG1-CD1 3.61Å; V400-L404 HydrophobicContact CG1-CG 3.99Å; V400-L404 WeakPolarHBondContact O-CB 3.45Å; V400-L404 PolarHBondContact O-N 2.82Å; V400-I418 HydrophobicContact CG1-CD1 4.38Å; V400-I418 HydrophobicContact CG1-CG2 4.31Å |
| 401 | F | 90.9 | Very high | 88.1 | Confident | 50 Ų | 50 | 65.8 Ų | 65.8 | 22% | 0.219 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -65.4 | -30.4 | -177 | -57.9 | -49.6 | 0 | 0 | 0 | 114 | Y397 S398 R403 Y415 I418 L419 Y422 | Y397-F401 HydrophobicContact CD1-CZ 4.32Å; Y397-F401 WeakPolarHBondContact O-CD2 3.24Å; Y397-F401 WeakPolarHBondContact O-CG 3.37Å; Y397-F401 PolarHBondContact O-N 3.42Å; S398-F401 PolarHBondContact O-N 2.72Å; F401-R403 VanDerWaalsContact C-N 3.28Å; F401-R403 PolarHBondContact O-N 3.2Å; F401-Y415 HydrophobicContact CD1-CE2 4.47Å; F401-I418 HydrophobicContact CE1-CG2 3.67Å; F401-I418 HydrophobicContact CZ-CG2 3.84Å; F401-L419 HydrophobicContact CD1-CD2 4.21Å; F401-L419 HydrophobicContact CE1-CD2 3.52Å; F401-L419 HydrophobicContact CE1-CG 4.08Å; F401-L419 HydrophobicContact CZ-CD2 4.01Å; F401-Y422 AromaticContact CE2-CD1 3.55Å; F401-Y422 HydrophobicContact CE2-CD1 3.55Å; F401-Y422 HydrophobicContact CE2-CD2 4.04Å; F401-Y422 AromaticContact CE2-CE1 3.97Å; F401-Y422 HydrophobicContact CE2-CE1 3.97Å; F401-Y422 HydrophobicContact CE2-CE2 4.4Å; F401-Y422 AromaticContact CE2-CG 3.57Å; F401-Y422 HydrophobicContact CE2-CG 3.57Å; F401-Y422 HydrophobicContact CZ-CD1 4.13Å; F401-Y422 HydrophobicContact CZ-CG 4.01Å |
| 402 | S | 85.8 | Confident | 88.4 | Confident | 90 Ų | 90 | 64.4 Ų | 64.4 | 63% | 0.629 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -74.8 | -13.5 | 174.8 | 58.8 | 0 | 0 | 0 | 0 | 114.2 | S398 K399 V400 | S398-S402 PolarHBondContact O-N 3.31Å; S398-S402 VanDerWaalsContact O-N 3.1Å; S398-S402 PolarHBondContact O-OG 3.11Å; K399-S402 PolarHBondContact O-OG 3.11Å; K399-S402 VanDerWaalsContact O-OG 3.05Å; V400-S402 VanDerWaalsContact C-N 3.31Å; V400-S402 PolarHBondContact O-N 2.91Å |
| 403 | R | 88.4 | Confident | 88.5 | Confident | 122 Ų | 122 | 64.3 Ų | 64.3 | 46% | 0.46 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -112.7 | -26.9 | 178.7 | -63.1 | -57.5 | -155.3 | 76.6 | 8.2 | 114.5 | V362 N363 K399 V400 F401 P405 | V362-R403 HydrophobicContact CG1-CB 3.59Å; V362-R403 HydrophobicContact CG1-CG 3.65Å; N363-R403 PolarHBondContact OD1-NH1 3.28Å; N363-R403 PolarHBondContact OD1-NH2 2.77Å; K399-R403 WeakPolarHBondContact O-CG 3.29Å; K399-R403 PolarHBondContact O-N 2.86Å; V400-R403 PolarHBondContact O-N 3.08Å; V400-R403 VanDerWaalsContact O-N 3.08Å; F401-R403 VanDerWaalsContact C-N 3.28Å; F401-R403 PolarHBondContact O-N 3.2Å; R403-P405 WeakPolarHBondContact O-CD 3.36Å |
| 404 | L | 89.3 | Confident | 88.5 | Confident | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 32% | 0.321 | C | S | . | . | S | Bend | trans | -111.4 | 96.3 | 178.1 | -58.7 | -168.6 | 0 | 0 | 0 | 110.1 | N365 P367 V400 I406 Y409 Y415 | N365-L404 HydrophobicContact CB-CD2 4.32Å; P367-L404 HydrophobicContact CB-CD1 4.36Å; P367-L404 HydrophobicContact CG-CD1 4.08Å; V400-L404 HydrophobicContact CG1-CB 4.32Å; V400-L404 HydrophobicContact CG1-CD1 3.61Å; V400-L404 HydrophobicContact CG1-CG 3.99Å; V400-L404 WeakPolarHBondContact O-CB 3.45Å; V400-L404 PolarHBondContact O-N 2.82Å; L404-I406 PolarHBondContact O-N 2.9Å; L404-Y409 HydrophobicContact CB-CD2 3.92Å; L404-Y409 HydrophobicContact CB-CE2 3.93Å; L404-Y409 HydrophobicContact CD2-CE2 3.92Å; L404-Y409 HydrophobicContact CG-CE2 4.43Å; L404-Y415 HydrophobicContact CB-CD2 4.27Å; L404-Y415 HydrophobicContact CB-CE2 3.62Å; L404-Y415 HydrophobicContact CD1-CD2 4.18Å; L404-Y415 HydrophobicContact CD1-CE2 4.27Å; L404-Y415 WeakPolarHBondContact O-CE2 3.11Å; L404-Y415 PolarHBondContact O-OH 3.44Å |
| 405 | P | 83.9 | Confident | 88.6 | Confident | 69 Ų | 69 | 64.5 Ų | 64.5 | 45% | 0.448 | 32% | 0.318 | S | S | . | . | trans | -71.3 | 127.7 | -174.3 | -20 | 34.1 | 0 | 0 | 0 | 112.6 | R403 R407 Q408 Y409 | R403-P405 WeakPolarHBondContact O-CD 3.36Å; P405-R407 PolarHBondContact O-N 2.81Å; P405-Q408 WeakPolarHBondContact O-CB 3.42Å; P405-Q408 PolarHBondContact O-N 3.1Å; P405-Y409 PolarHBondContact O-N 2.9Å | ||
| 406 | I | 84.5 | Confident | 88.8 | Confident | 41 Ų | 41 | 59.6 Ų | 59.6 | 21% | 0.21 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -51 | -32.6 | -174.5 | -171.2 | 155.8 | 0 | 0 | 0 | 114.9 | L404 Q408 Y409 S410 Y415 L419 V440 N444 | L404-I406 PolarHBondContact O-N 2.9Å; I406-Q408 VanDerWaalsContact C-N 3.32Å; I406-Q408 PolarHBondContact O-N 3.24Å; I406-Y409 PolarHBondContact O-N 2.74Å; I406-S410 WeakPolarHBondContact O-CA 3.32Å; I406-S410 WeakPolarHBondContact O-CB 3.45Å; I406-S410 PolarHBondContact O-N 2.68Å; I406-Y415 WeakPolarHBondContact CA-OH 3.27Å; I406-Y415 HydrophobicContact CB-CE1 4.12Å; I406-Y415 HydrophobicContact CG1-CE1 3.97Å; I406-Y415 PolarHBondContact N-OH 3.25Å; I406-L419 HydrophobicContact CD1-CD1 3.79Å; I406-L419 HydrophobicContact CD1-CD2 3.97Å; I406-L419 HydrophobicContact CG1-CD1 4.32Å; I406-V440 HydrophobicContact CD1-CG1 3.82Å; I406-N444 HydrophobicContact CD1-CB 3.63Å; I406-N444 VanDerWaalsContact CD1-CG 3.41Å; I406-N444 WeakPolarHBondContact CD1-ND2 3.38Å; I406-N444 HydrophobicContact CG1-CB 3.68Å |
| 407 | R | 80.4 | Confident | 88.9 | Confident | 226 Ų | 226 | 62.1 Ų | 62.1 | 85% | 0.853 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -61.1 | -38.9 | 177.4 | -65.6 | -176.7 | 179.8 | 178.9 | 0.7 | 112.6 | P405 S410 | P405-R407 PolarHBondContact O-N 2.81Å; R407-S410 PolarHBondContact O-OG 2.67Å |
| 408 | Q | 85.6 | Confident | 89.1 | Confident | 136 Ų | 136 | 62.1 Ų | 62.1 | 64% | 0.636 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -78.5 | -37.7 | -177.7 | -178.9 | 174.5 | -9.1 | 0 | 0 | 112.1 | P405 I406 | P405-Q408 WeakPolarHBondContact O-CB 3.42Å; P405-Q408 PolarHBondContact O-N 3.1Å; I406-Q408 VanDerWaalsContact C-N 3.32Å; I406-Q408 PolarHBondContact O-N 3.24Å |
| 409 | Y | 88.4 | Confident | 89.3 | Confident | 32 Ų | 32 | 60.3 Ų | 60.3 | 13% | 0.125 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -103.1 | 4.5 | -172.7 | -62.1 | -83.3 | 0 | 0 | 0 | 114.6 | N365 P367 L404 P405 I406 K411 N412 Y415 | N365-Y409 PolarHBondContact O-OH 2.71Å; P367-Y409 HydrophobicContact CG-CD1 3.31Å; P367-Y409 HydrophobicContact CG-CE1 3.58Å; P367-Y409 HydrophobicContact CG-CG 4.12Å; L404-Y409 HydrophobicContact CB-CD2 3.92Å; L404-Y409 HydrophobicContact CB-CE2 3.93Å; L404-Y409 HydrophobicContact CD2-CE2 3.92Å; L404-Y409 HydrophobicContact CG-CE2 4.43Å; P405-Y409 PolarHBondContact O-N 2.9Å; I406-Y409 PolarHBondContact O-N 2.74Å; Y409-K411 PolarHBondContact O-N 2.97Å; Y409-N412 WeakPolarHBondContact O-CB 3.37Å; Y409-N412 PolarHBondContact O-N 3.06Å; Y409-Y415 VanDerWaalsContact CB-CG 3.46Å; Y409-Y415 HydrophobicContact CG-CD2 4.26Å; Y409-Y415 HydrophobicContact CG-CG 4.47Å |
| 410 | S | 86.5 | Confident | 89.5 | Confident | 28 Ų | 28 | 56.9 Ų | 56.9 | 20% | 0.196 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -48.5 | -28.7 | 177 | 53.1 | 0 | 0 | 0 | 0 | 115.9 | I406 R407 C445 | I406-S410 WeakPolarHBondContact O-CA 3.32Å; I406-S410 WeakPolarHBondContact O-CB 3.45Å; I406-S410 PolarHBondContact O-N 2.68Å; R407-S410 PolarHBondContact O-OG 2.67Å; S410-C445 PolarHBondContact O-SG 3.26Å |
| 411 | K | 88.8 | Confident | 89.8 | Confident | 189 Ų | 189 | 60 Ų | 60 | 82% | 0.822 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.6 | 1.7 | 178.5 | -61.7 | -175.2 | -178.9 | 178.7 | 0 | 114.6 | Y409 F448 | Y409-K411 PolarHBondContact O-N 2.97Å; K411-F448 WeakPolarHBondContact O-CZ 2.78Å |
| 412 | N | 93.4 | Very high | 89.9 | Confident | 36 Ų | 36 | 58.8 Ų | 58.8 | 19% | 0.193 | 28% | 0.278 | C | S | . | . | trans | -92 | 129.1 | -179.5 | 174.9 | -71.6 | 0 | 0 | 0 | 110.4 | P367 E368 Y409 S414 Y415 A416 | P367-N412 WeakPolarHBondContact CB-OD1 3.32Å; E368-N412 PolarHBondContact OE1-ND2 3.2Å; E368-N412 PolarHBondContact OE1-OD1 3.25Å; E368-N412 PolarHBondContact OE2-ND2 2.8Å; Y409-N412 WeakPolarHBondContact O-CB 3.37Å; Y409-N412 PolarHBondContact O-N 3.06Å; N412-S414 WeakPolarHBondContact OD1-CA 3.34Å; N412-S414 WeakPolarHBondContact OD1-CB 3.18Å; N412-S414 PolarHBondContact OD1-N 3.49Å; N412-Y415 PolarHBondContact O-N 3.05Å; N412-Y415 PolarHBondContact OD1-N 3.37Å; N412-A416 WeakPolarHBondContact O-CB 3.43Å; N412-A416 PolarHBondContact O-N 3.16Å | ||
| 413 | T | 91.9 | Very high | 90.2 | Very high | 69 Ų | 69 | 54.5 Ų | 54.5 | 42% | 0.423 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -64 | -43.2 | -176.4 | -45.3 | 0 | 0 | 0 | 0 | 112.4 | A416 R417 F448 F450 | T413-A416 PolarHBondContact O-N 3.44Å; T413-R417 WeakPolarHBondContact O-CG 3.46Å; T413-R417 PolarHBondContact O-N 2.91Å; T413-F448 HydrophobicContact CG2-CD1 4.47Å; T413-F448 HydrophobicContact CG2-CE1 4.03Å; T413-F448 WeakPolarHBondContact OG1-CE1 3.45Å; T413-F450 HydrophobicContact CG2-CE1 4.06Å; T413-F450 HydrophobicContact CG2-CZ 4.47Å |
| 414 | S | 91.3 | Very high | 90.4 | Very high | 18 Ų | 18 | 51.9 Ų | 51.9 | 13% | 0.126 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -64.6 | -40.7 | 179 | -49.2 | 0 | 0 | 0 | 0 | 111.3 | E368 N412 R417 I418 | E368-S414 VanDerWaalsContact CD-OG 3.28Å; E368-S414 WeakPolarHBondContact CG-OG 3.4Å; E368-S414 WeakPolarHBondContact OE1-CB 3.32Å; E368-S414 PolarHBondContact OE1-OG 3.03Å; N412-S414 WeakPolarHBondContact OD1-CA 3.34Å; N412-S414 WeakPolarHBondContact OD1-CB 3.18Å; N412-S414 PolarHBondContact OD1-N 3.49Å; S414-R417 WeakPolarHBondContact O-CB 3.49Å; S414-R417 PolarHBondContact O-N 3.25Å; S414-I418 VanDerWaalsContact O-CG1 3.25Å; S414-I418 WeakPolarHBondContact O-CG1 3.44Å; S414-I418 PolarHBondContact O-N 2.9Å |
| 415 | Y | 92.9 | Very high | 90.5 | Very high | 4 Ų | 4 | 52 Ų | 52 | 2% | 0.016 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -66.9 | -39.3 | 175.3 | -165.7 | -94.4 | 0 | 0 | 0 | 112.4 | P367 F401 L404 I406 Y409 N412 R417 I418 L419 | P367-Y415 HydrophobicContact CB-CD2 4.45Å; P367-Y415 HydrophobicContact CG-CD2 4.49Å; F401-Y415 HydrophobicContact CD1-CE2 4.47Å; L404-Y415 HydrophobicContact CB-CD2 4.27Å; L404-Y415 HydrophobicContact CB-CE2 3.62Å; L404-Y415 HydrophobicContact CD1-CD2 4.18Å; L404-Y415 HydrophobicContact CD1-CE2 4.27Å; L404-Y415 WeakPolarHBondContact O-CE2 3.11Å; L404-Y415 PolarHBondContact O-OH 3.44Å; I406-Y415 WeakPolarHBondContact CA-OH 3.27Å; I406-Y415 HydrophobicContact CB-CE1 4.12Å; I406-Y415 HydrophobicContact CG1-CE1 3.97Å; I406-Y415 PolarHBondContact N-OH 3.25Å; Y409-Y415 VanDerWaalsContact CB-CG 3.46Å; Y409-Y415 HydrophobicContact CG-CD2 4.26Å; Y409-Y415 HydrophobicContact CG-CG 4.47Å; N412-Y415 PolarHBondContact O-N 3.05Å; N412-Y415 PolarHBondContact OD1-N 3.37Å; Y415-R417 VanDerWaalsContact C-N 3.32Å; Y415-R417 PolarHBondContact O-N 2.77Å; Y415-I418 WeakPolarHBondContact O-CB 3.42Å; Y415-I418 PolarHBondContact O-N 2.66Å; Y415-L419 HydrophobicContact CD1-CD1 3.79Å; Y415-L419 HydrophobicContact CD1-CG 4.23Å; Y415-L419 HydrophobicContact CE1-CD1 3.64Å; Y415-L419 HydrophobicContact CE1-CD2 4.41Å; Y415-L419 HydrophobicContact CE1-CG 3.99Å; Y415-L419 WeakPolarHBondContact O-CG 3.29Å; Y415-L419 PolarHBondContact O-N 3.09Å |
| 416 | A | 92 | Very high | 90.7 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63.6 | -36.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | N412 T413 V420 C445 F448 F450 V451 | N412-A416 WeakPolarHBondContact O-CB 3.43Å; N412-A416 PolarHBondContact O-N 3.16Å; T413-A416 PolarHBondContact O-N 3.44Å; A416-V420 WeakPolarHBondContact O-CG2 3.46Å; A416-V420 PolarHBondContact O-N 3.42Å; A416-V420 VanDerWaalsContact O-N 3.11Å; A416-C445 HydrophobicContact CB-CB 3.87Å; A416-F448 HydrophobicContact CB-CD2 3.76Å; A416-F448 HydrophobicContact CB-CE2 3.91Å; A416-F448 HydrophobicContact CB-CG 4.31Å; A416-F450 HydrophobicContact CB-CE2 4.32Å; A416-F450 HydrophobicContact CB-CZ 3.68Å; A416-V451 HydrophobicContact CB-CG2 4.1Å |
| 417 | R | 93.8 | Very high | 90.8 | Very high | 64 Ų | 64 | 49 Ų | 49 | 24% | 0.242 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -65.8 | -43.2 | 170.7 | -72.1 | 173.5 | 169.1 | -157.2 | -10.2 | 112.3 | W371 T413 S414 Y415 L419 V420 R421 F450 D506 | W371-R417 HydrophobicContact CD2-CB 4.13Å; W371-R417 HydrophobicContact CE3-CB 4.02Å; W371-R417 HydrophobicContact CH2-CB 3.81Å; W371-R417 HydrophobicContact CZ2-CB 3.93Å; W371-R417 HydrophobicContact CZ2-CG 4.44Å; W371-R417 HydrophobicContact CZ3-CB 3.85Å; T413-R417 WeakPolarHBondContact O-CG 3.46Å; T413-R417 PolarHBondContact O-N 2.91Å; S414-R417 WeakPolarHBondContact O-CB 3.49Å; S414-R417 PolarHBondContact O-N 3.25Å; Y415-R417 VanDerWaalsContact C-N 3.32Å; Y415-R417 PolarHBondContact O-N 2.77Å; R417-L419 VanDerWaalsContact C-N 3.33Å; R417-L419 PolarHBondContact O-N 3.14Å; R417-V420 PolarHBondContact O-N 3Å; R417-R421 WeakPolarHBondContact O-CB 3.35Å; R417-R421 PolarHBondContact O-N 3.33Å; R417-F450 HydrophobicContact CB-CE2 4.46Å; R417-F450 HydrophobicContact CG-CE2 3.75Å; R417-F450 HydrophobicContact CG-CZ 3.66Å; R417-D506 IonicContact CZ-OD1 3.9Å; R417-D506 IonicContact CZ-OD2 2.73Å; R417-D506 IonicContact NH1-OD1 2.91Å; R417-D506 PolarHBondContact NH1-OD1 3.47Å; R417-D506 IonicContact NH1-OD2 2.7Å; R417-D506 PolarHBondContact NH1-OD2 3.43Å; R417-D506 IonicContact NH2-OD1 3.17Å; R417-D506 PolarHBondContact NH2-OD1 3.21Å; R417-D506 IonicContact NH2-OD2 3.2Å |
| 418 | I | 94.4 | Very high | 91 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -57.4 | -44.9 | 175 | -70.8 | 167.5 | 0 | 0 | 0 | 111 | C370 W371 L374 Y397 V400 F401 S414 Y415 Y422 | C370-I418 HydrophobicContact CB-CD1 4.02Å; W371-I418 HydrophobicContact CB-CD1 4.14Å; W371-I418 HydrophobicContact CB-CG1 4.16Å; W371-I418 HydrophobicContact CD2-CG1 4.45Å; W371-I418 HydrophobicContact CE3-CG1 3.65Å; W371-I418 HydrophobicContact CZ3-CG1 4.46Å; L374-I418 HydrophobicContact CD1-CD1 4.45Å; L374-I418 HydrophobicContact CD1-CG1 4.2Å; L374-I418 HydrophobicContact CD1-CG2 4.48Å; Y397-I418 HydrophobicContact CD1-CG2 3.65Å; Y397-I418 HydrophobicContact CE1-CB 4.31Å; Y397-I418 HydrophobicContact CE1-CG2 3.82Å; Y397-I418 WeakPolarHBondContact CE1-O 3.4Å; V400-I418 HydrophobicContact CG1-CD1 4.38Å; V400-I418 HydrophobicContact CG1-CG2 4.31Å; F401-I418 HydrophobicContact CE1-CG2 3.67Å; F401-I418 HydrophobicContact CZ-CG2 3.84Å; S414-I418 VanDerWaalsContact O-CG1 3.25Å; S414-I418 WeakPolarHBondContact O-CG1 3.44Å; S414-I418 PolarHBondContact O-N 2.9Å; Y415-I418 WeakPolarHBondContact O-CB 3.42Å; Y415-I418 PolarHBondContact O-N 2.66Å; I418-Y422 WeakPolarHBondContact O-CB 3.28Å; I418-Y422 PolarHBondContact O-N 3.49Å; I418-Y422 VanDerWaalsContact O-N 3.07Å |
| 419 | L | 92.9 | Very high | 90.8 | Very high | 12 Ų | 12 | 38.7 Ų | 38.7 | 6% | 0.063 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -63.7 | -44.5 | 177 | -74.8 | 168 | 0 | 0 | 0 | 112.8 | F401 I406 Y415 R417 A423 A441 | F401-L419 HydrophobicContact CD1-CD2 4.21Å; F401-L419 HydrophobicContact CE1-CD2 3.52Å; F401-L419 HydrophobicContact CE1-CG 4.08Å; F401-L419 HydrophobicContact CZ-CD2 4.01Å; I406-L419 HydrophobicContact CD1-CD1 3.79Å; I406-L419 HydrophobicContact CD1-CD2 3.97Å; I406-L419 HydrophobicContact CG1-CD1 4.32Å; Y415-L419 HydrophobicContact CD1-CD1 3.79Å; Y415-L419 HydrophobicContact CD1-CG 4.23Å; Y415-L419 HydrophobicContact CE1-CD1 3.64Å; Y415-L419 HydrophobicContact CE1-CD2 4.41Å; Y415-L419 HydrophobicContact CE1-CG 3.99Å; Y415-L419 WeakPolarHBondContact O-CG 3.29Å; Y415-L419 PolarHBondContact O-N 3.09Å; R417-L419 VanDerWaalsContact C-N 3.33Å; R417-L419 PolarHBondContact O-N 3.14Å; L419-A423 PolarHBondContact O-N 2.96Å; L419-A441 HydrophobicContact CB-CB 3.87Å |
| 420 | V | 95 | Very high | 90.3 | Very high | 8 Ų | 8 | 40.3 Ų | 40.3 | 5% | 0.048 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -64 | -49.4 | 177.6 | 167.7 | 0 | 0 | 0 | 0 | 111 | A416 R417 Y422 A423 E424 F438 A441 F450 V451 A454 | A416-V420 WeakPolarHBondContact O-CG2 3.46Å; A416-V420 PolarHBondContact O-N 3.42Å; A416-V420 VanDerWaalsContact O-N 3.11Å; R417-V420 PolarHBondContact O-N 3Å; V420-Y422 VanDerWaalsContact C-N 3.28Å; V420-Y422 PolarHBondContact O-N 3.41Å; V420-A423 WeakPolarHBondContact O-CB 3.19Å; V420-A423 PolarHBondContact O-N 3.1Å; V420-A423 VanDerWaalsContact O-N 3.08Å; V420-E424 HydrophobicContact CG1-CG 4.45Å; V420-E424 WeakPolarHBondContact CG1-OE1 3.19Å; V420-E424 WeakPolarHBondContact O-CG 3.45Å; V420-E424 PolarHBondContact O-N 3.25Å; V420-F438 HydrophobicContact CG1-CE1 4.5Å; V420-A441 HydrophobicContact CG2-CB 4.43Å; V420-F450 HydrophobicContact CG2-CD2 4.29Å; V420-F450 HydrophobicContact CG2-CE2 4.09Å; V420-V451 HydrophobicContact CG2-CB 4.08Å; V420-V451 HydrophobicContact CG2-CG1 3.93Å; V420-V451 HydrophobicContact CG2-CG2 3.83Å; V420-A454 HydrophobicContact CG1-CB 3.49Å; V420-A454 VanDerWaalsContact CG1-CB 3.49Å |
| 421 | R | 94.7 | Very high | 89.9 | Confident | 65 Ų | 65 | 41.6 Ų | 41.6 | 25% | 0.245 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -65.6 | -32.5 | -177.5 | -169.1 | 54.5 | 172.8 | -179.8 | 2.9 | 112.5 | W371 M375 E378 Y397 R417 E424 L425 | W371-R421 HydrophobicContact CH2-CB 4.09Å; W371-R421 HydrophobicContact CH2-CG 4.45Å; W371-R421 HydrophobicContact CZ3-CB 3.82Å; W371-R421 HydrophobicContact CZ3-CG 4.35Å; M375-R421 HydrophobicContact CE-CG 4.19Å; E378-R421 IonicContact OE1-CZ 3.72Å; E378-R421 VanDerWaalsContact OE1-CZ 3.23Å; E378-R421 IonicContact OE1-NE 3.71Å; E378-R421 PolarHBondContact OE1-NE 3.43Å; E378-R421 IonicContact OE1-NH2 2.78Å; E378-R421 PolarHBondContact OE1-NH2 3.21Å; E378-R421 IonicContact OE2-NE 2.77Å; E378-R421 PolarHBondContact OE2-NE 2.96Å; Y397-R421 HydrophobicContact CE1-CB 4.34Å; Y397-R421 WeakPolarHBondContact OH-CG 3.5Å; R417-R421 WeakPolarHBondContact O-CB 3.35Å; R417-R421 PolarHBondContact O-N 3.33Å; R421-E424 WeakPolarHBondContact CD-OE2 3.38Å; R421-E424 IonicContact CZ-OE2 2.73Å; R421-E424 IonicContact NE-OE2 2.98Å; R421-E424 IonicContact NH1-OE2 3.99Å; R421-E424 PolarHBondContact NH1-OE2 3.41Å; R421-E424 PolarHBondContact O-N 3.13Å; R421-L425 HydrophobicContact CG-CD1 4.24Å; R421-L425 HydrophobicContact CG-CG 4.48Å; R421-L425 WeakPolarHBondContact O-CB 3.41Å; R421-L425 VanDerWaalsContact O-CG 3.26Å; R421-L425 WeakPolarHBondContact O-CG 3.15Å; R421-L425 PolarHBondContact O-N 3.34Å |
| 422 | Y | 94.2 | Very high | 89 | Confident | 25 Ų | 25 | 36.8 Ų | 36.8 | 10% | 0.098 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -65.2 | -40.9 | 172 | -174.7 | -112.1 | 0 | 0 | 0 | 112.6 | K394 Y397 F401 I418 V420 L425 K426 H437 | K394-Y422 HydrophobicContact CB-CE2 4.26Å; K394-Y422 HydrophobicContact CG-CE2 4.36Å; Y397-Y422 HydrophobicContact CD1-CD2 4.28Å; Y397-Y422 HydrophobicContact CD1-CG 4.47Å; Y397-Y422 HydrophobicContact CD2-CD2 4.2Å; Y397-Y422 AromaticContact CG-CD2 3.71Å; Y397-Y422 HydrophobicContact CG-CD2 3.71Å; Y397-Y422 HydrophobicContact CG-CG 4.33Å; F401-Y422 AromaticContact CE2-CD1 3.55Å; F401-Y422 HydrophobicContact CE2-CD1 3.55Å; F401-Y422 HydrophobicContact CE2-CD2 4.04Å; F401-Y422 AromaticContact CE2-CE1 3.97Å; F401-Y422 HydrophobicContact CE2-CE1 3.97Å; F401-Y422 HydrophobicContact CE2-CE2 4.4Å; F401-Y422 AromaticContact CE2-CG 3.57Å; F401-Y422 HydrophobicContact CE2-CG 3.57Å; F401-Y422 HydrophobicContact CZ-CD1 4.13Å; F401-Y422 HydrophobicContact CZ-CG 4.01Å; I418-Y422 WeakPolarHBondContact O-CB 3.28Å; I418-Y422 PolarHBondContact O-N 3.49Å; I418-Y422 VanDerWaalsContact O-N 3.07Å; V420-Y422 VanDerWaalsContact C-N 3.28Å; V420-Y422 PolarHBondContact O-N 3.41Å; Y422-L425 PolarHBondContact O-N 2.85Å; Y422-K426 HydrophobicContact CE1-CG 4.21Å; Y422-K426 HydrophobicContact CE2-CG 4.42Å; Y422-K426 WeakPolarHBondContact O-CB 3.3Å; Y422-K426 WeakPolarHBondContact O-CG 3.31Å; Y422-K426 PolarHBondContact O-N 3.09Å; Y422-K426 VanDerWaalsContact OH-CE 3.29Å; Y422-K426 WeakPolarHBondContact OH-CE 3.36Å; Y422-H437 AromaticContact CE1-CE1 3.61Å; Y422-H437 AromaticContact CE1-ND1 3.83Å; Y422-H437 AromaticContact CE1-NE2 3.76Å |
| 423 | A | 92.3 | Very high | 88.3 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -63.7 | -41.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112 | L419 V420 K426 G427 A434 H437 F438 | L419-A423 PolarHBondContact O-N 2.96Å; V420-A423 WeakPolarHBondContact O-CB 3.19Å; V420-A423 PolarHBondContact O-N 3.1Å; V420-A423 VanDerWaalsContact O-N 3.08Å; A423-K426 PolarHBondContact O-N 2.84Å; A423-G427 PolarHBondContact O-N 3.5Å; A423-G427 VanDerWaalsContact O-N 3.14Å; A423-A434 WeakPolarHBondContact O-CB 3.48Å; A423-H437 HydrophobicContact CB-CB 3.62Å; A423-F438 HydrophobicContact CB-CB 4.48Å; A423-F438 HydrophobicContact CB-CD1 3.78Å; A423-F438 HydrophobicContact CB-CD2 3.86Å; A423-F438 HydrophobicContact CB-CE1 3.87Å; A423-F438 HydrophobicContact CB-CE2 3.93Å; A423-F438 HydrophobicContact CB-CG 3.77Å; A423-F438 HydrophobicContact CB-CZ 3.94Å |
| 424 | E | 92.6 | Very high | 88 | Confident | 68 Ų | 68 | 35 Ų | 35 | 32% | 0.318 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -61.2 | -48.1 | 173.9 | -68.6 | 170.8 | 176.7 | 0 | 0 | 112.2 | V420 R421 K426 G427 F438 | V420-E424 HydrophobicContact CG1-CG 4.45Å; V420-E424 WeakPolarHBondContact CG1-OE1 3.19Å; V420-E424 WeakPolarHBondContact O-CG 3.45Å; V420-E424 PolarHBondContact O-N 3.25Å; R421-E424 WeakPolarHBondContact CD-OE2 3.38Å; R421-E424 IonicContact CZ-OE2 2.73Å; R421-E424 IonicContact NE-OE2 2.98Å; R421-E424 IonicContact NH1-OE2 3.99Å; R421-E424 PolarHBondContact NH1-OE2 3.41Å; R421-E424 PolarHBondContact O-N 3.13Å; E424-K426 VanDerWaalsContact C-N 3.31Å; E424-K426 PolarHBondContact O-N 3.26Å; E424-G427 PolarHBondContact O-N 2.87Å; E424-G427 VanDerWaalsContact O-N 3.09Å; E424-F438 HydrophobicContact CG-CE1 4.3Å; E424-F438 HydrophobicContact CG-CZ 3.81Å |
| 425 | L | 91.3 | Very high | 87.6 | Confident | 1 Ų | 1 | 35.1 Ų | 35.1 | 1% | 0.005 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -63.7 | -34.9 | 178.6 | -72.2 | 169.4 | 0 | 0 | 0 | 112.5 | P383 L390 L393 Y397 R421 Y422 G427 I428 | P383-L425 HydrophobicContact CB-CD2 3.62Å; P383-L425 HydrophobicContact CG-CD2 3.65Å; L390-L425 HydrophobicContact CD1-CB 4.06Å; L390-L425 HydrophobicContact CD1-CD2 3.97Å; L393-L425 HydrophobicContact CB-CD1 4.22Å; L393-L425 HydrophobicContact CD1-CD1 4.45Å; L393-L425 HydrophobicContact CD1-CD2 4.45Å; Y397-L425 HydrophobicContact CD2-CD1 3.89Å; Y397-L425 HydrophobicContact CE2-CD1 3.35Å; R421-L425 HydrophobicContact CG-CD1 4.24Å; R421-L425 HydrophobicContact CG-CG 4.48Å; R421-L425 WeakPolarHBondContact O-CB 3.41Å; R421-L425 VanDerWaalsContact O-CG 3.26Å; R421-L425 WeakPolarHBondContact O-CG 3.15Å; R421-L425 PolarHBondContact O-N 3.34Å; Y422-L425 PolarHBondContact O-N 2.85Å; L425-G427 VanDerWaalsContact C-N 3.31Å; L425-I428 HydrophobicContact CD2-CD1 3.98Å; L425-I428 WeakPolarHBondContact O-CB 3.3Å; L425-I428 PolarHBondContact O-N 3.45Å |
| 426 | K | 88.9 | Confident | 87 | Confident | 24 Ų | 24 | 37.2 Ų | 37.2 | 10% | 0.104 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -65.5 | -34 | 172.7 | -77.1 | -65.3 | -144.6 | 158.1 | 0 | 112.5 | K394 Y422 A423 E424 I428 E429 D430 E433 | K394-K426 HydrophobicContact CD-CD 4.09Å; Y422-K426 HydrophobicContact CE1-CG 4.21Å; Y422-K426 HydrophobicContact CE2-CG 4.42Å; Y422-K426 WeakPolarHBondContact O-CB 3.3Å; Y422-K426 WeakPolarHBondContact O-CG 3.31Å; Y422-K426 PolarHBondContact O-N 3.09Å; Y422-K426 VanDerWaalsContact OH-CE 3.29Å; Y422-K426 WeakPolarHBondContact OH-CE 3.36Å; A423-K426 PolarHBondContact O-N 2.84Å; E424-K426 VanDerWaalsContact C-N 3.31Å; E424-K426 PolarHBondContact O-N 3.26Å; K426-I428 PolarHBondContact O-N 2.89Å; K426-I428 VanDerWaalsContact O-N 3.15Å; K426-E429 PolarHBondContact O-N 3.2Å; K426-E429 VanDerWaalsContact O-N 3.09Å; K426-D430 PolarHBondContact O-N 3Å; K426-E433 WeakPolarHBondContact CD-OE2 3.29Å; K426-E433 VanDerWaalsContact CE-CD 3.5Å; K426-E433 VanDerWaalsContact CE-OE1 3.31Å; K426-E433 WeakPolarHBondContact CE-OE1 3.33Å; K426-E433 VanDerWaalsContact CE-OE2 3.3Å; K426-E433 WeakPolarHBondContact CE-OE2 3.49Å; K426-E433 IonicContact NZ-OE1 3.26Å; K426-E433 PolarHBondContact NZ-OE1 3.48Å; K426-E433 IonicContact NZ-OE2 2.81Å; K426-E433 PolarHBondContact NZ-OE2 3.06Å |
| 427 | G | 85.1 | Confident | 86.8 | Confident | 23 Ų | 23 | 39.4 Ų | 39.4 | 24% | 0.237 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -5.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | A423 E424 L425 | A423-G427 PolarHBondContact O-N 3.5Å; A423-G427 VanDerWaalsContact O-N 3.14Å; E424-G427 PolarHBondContact O-N 2.87Å; E424-G427 VanDerWaalsContact O-N 3.09Å; L425-G427 VanDerWaalsContact C-N 3.31Å |
| 428 | I | 85.8 | Confident | 86.7 | Confident | 55 Ų | 55 | 36.5 Ų | 36.5 | 28% | 0.282 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77 | -29.4 | 170.8 | -56 | 176.9 | 0 | 0 | 0 | 111 | P383 L390 L425 K426 | P383-I428 HydrophobicContact CB-CD1 4.08Å; P383-I428 HydrophobicContact CG-CD1 4.28Å; L390-I428 HydrophobicContact CD1-CD1 4.28Å; L390-I428 HydrophobicContact CD2-CB 4.12Å; L390-I428 HydrophobicContact CD2-CG2 3.87Å; L425-I428 HydrophobicContact CD2-CD1 3.98Å; L425-I428 WeakPolarHBondContact O-CB 3.3Å; L425-I428 PolarHBondContact O-N 3.45Å; K426-I428 PolarHBondContact O-N 2.89Å; K426-I428 VanDerWaalsContact O-N 3.15Å |
| 429 | E | 79.8 | Confident | 86.2 | Confident | 91 Ų | 91 | 38.2 Ų | 38.2 | 43% | 0.425 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -104.6 | -46 | -178.3 | -67 | 174.3 | 164.5 | 0 | 0 | 112.4 | L390 K394 K426 | L390-E429 HydrophobicContact CD2-CG 3.95Å; K394-E429 IonicContact NZ-OE1 3.74Å; K394-E429 PolarHBondContact NZ-OE1 3.33Å; K394-E429 IonicContact NZ-OE2 2.76Å; K394-E429 PolarHBondContact NZ-OE2 3.21Å; K426-E429 PolarHBondContact O-N 3.2Å; K426-E429 VanDerWaalsContact O-N 3.09Å |
| 430 | D | 79.7 | Confident | 85.9 | Confident | 67 Ų | 67 | 40.6 Ų | 40.6 | 36% | 0.358 | 21% | 0.209 | S | C | . | . | trans | -141.9 | 105.6 | -179.2 | -175.4 | 2.3 | 0 | 0 | 0 | 110.9 | K426 D432 E433 A434 | K426-D430 PolarHBondContact O-N 3Å; D430-D432 PolarHBondContact O-N 3.11Å; D430-D432 WeakPolarHBondContact OD1-CA 3.39Å; D430-D432 WeakPolarHBondContact OD1-CB 3.36Å; D430-D432 PolarHBondContact OD1-N 3.28Å; D430-E433 HydrophobicContact CB-CB 3.89Å; D430-E433 PolarHBondContact O-N 3.02Å; D430-E433 VanDerWaalsContact O-N 3.16Å; D430-E433 PolarHBondContact OD1-N 3.33Å; D430-E433 PolarHBondContact OD2-N 3.44Å; D430-A434 PolarHBondContact O-N 3.32Å | ||
| 431 | P | 77.1 | Confident | 85.6 | Confident | 54 Ų | 54 | 40.2 Ų | 40.2 | 35% | 0.351 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -56.8 | -30.8 | 171.9 | -24.5 | 34.7 | 0 | 0 | 0 | 113.1 | A434 Q435 F458 | P431-A434 PolarHBondContact O-N 3.4Å; P431-Q435 PolarHBondContact O-N 3.37Å; P431-Q435 VanDerWaalsContact O-N 3.17Å; P431-F458 HydrophobicContact CB-CE2 4.28Å; P431-F458 HydrophobicContact CB-CZ 3.92Å; P431-F458 VanDerWaalsContact O-CZ 3.3Å; P431-F458 WeakPolarHBondContact O-CZ 3.43Å |
| 432 | D | 71.1 | Confident | 85.5 | Confident | 89 Ų | 89 | 38 Ų | 38 | 48% | 0.476 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -76.9 | -26.2 | -178.5 | -137.8 | 39.6 | 0 | 0 | 0 | 110.9 | D430 R679 | D430-D432 PolarHBondContact O-N 3.11Å; D430-D432 WeakPolarHBondContact OD1-CA 3.39Å; D430-D432 WeakPolarHBondContact OD1-CB 3.36Å; D430-D432 PolarHBondContact OD1-N 3.28Å; D432-R679 VanDerWaalsContact O-CZ 3.28Å; D432-R679 PolarHBondContact O-NH1 2.91Å; D432-R679 PolarHBondContact O-NH2 3.4Å; D432-R679 IonicContact OD1-NH1 2.74Å; D432-R679 IonicContact OD2-CZ 3.23Å; D432-R679 IonicContact OD2-NE 2.65Å; D432-R679 IonicContact OD2-NH1 2.59Å; D432-R679 PolarHBondContact OD2-NH1 3.36Å |
| 433 | E | 78.6 | Confident | 85 | Confident | 66 Ų | 66 | 38.3 Ų | 38.3 | 31% | 0.308 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -78.2 | -41.2 | 169.1 | -164 | -177.2 | -167.3 | 0 | 0 | 111.4 | K426 D430 Q435 D436 H437 | K426-E433 WeakPolarHBondContact CD-OE2 3.29Å; K426-E433 VanDerWaalsContact CE-CD 3.5Å; K426-E433 VanDerWaalsContact CE-OE1 3.31Å; K426-E433 WeakPolarHBondContact CE-OE1 3.33Å; K426-E433 VanDerWaalsContact CE-OE2 3.3Å; K426-E433 WeakPolarHBondContact CE-OE2 3.49Å; K426-E433 IonicContact NZ-OE1 3.26Å; K426-E433 PolarHBondContact NZ-OE1 3.48Å; K426-E433 IonicContact NZ-OE2 2.81Å; K426-E433 PolarHBondContact NZ-OE2 3.06Å; D430-E433 HydrophobicContact CB-CB 3.89Å; D430-E433 PolarHBondContact O-N 3.02Å; D430-E433 VanDerWaalsContact O-N 3.16Å; D430-E433 PolarHBondContact OD1-N 3.33Å; D430-E433 PolarHBondContact OD2-N 3.44Å; E433-Q435 PolarHBondContact O-N 2.94Å; E433-D436 PolarHBondContact O-N 3.45Å; E433-D436 VanDerWaalsContact O-N 3.1Å; E433-H437 PolarHBondContact O-CD2 3.09Å; E433-H437 PolarHBondContact O-N 3.49Å; E433-H437 IonicContact OE1-NE2 2.73Å |
| 434 | A | 85.1 | Confident | 84.7 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -53.8 | -41.4 | 176 | 0 | 0 | 0 | 0 | 0 | 112.6 | A423 D430 P431 D436 H437 F438 F458 | A423-A434 WeakPolarHBondContact O-CB 3.48Å; D430-A434 PolarHBondContact O-N 3.32Å; P431-A434 PolarHBondContact O-N 3.4Å; A434-D436 VanDerWaalsContact C-N 3.32Å; A434-D436 PolarHBondContact O-N 3.04Å; A434-H437 PolarHBondContact O-N 3.35Å; A434-H437 VanDerWaalsContact O-N 3.12Å; A434-F438 HydrophobicContact CB-CD2 4.41Å; A434-F438 HydrophobicContact CB-CE2 4.34Å; A434-F438 VanDerWaalsContact O-CD2 3.24Å; A434-F438 WeakPolarHBondContact O-CD2 3.43Å; A434-F438 PolarHBondContact O-N 3.3Å; A434-F458 HydrophobicContact CB-CE2 4.01Å; A434-F458 HydrophobicContact CB-CZ 4.01Å |
| 435 | Q | 81.8 | Confident | 84.6 | Confident | 21 Ų | 21 | 38 Ų | 38 | 10% | 0.098 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -57.1 | -41.7 | 177.9 | -176.6 | 65.2 | 8.7 | 0 | 0 | 113.1 | P431 E433 I439 H455 F458 E459 | P431-Q435 PolarHBondContact O-N 3.37Å; P431-Q435 VanDerWaalsContact O-N 3.17Å; E433-Q435 PolarHBondContact O-N 2.94Å; Q435-I439 HydrophobicContact CG-CD1 4.29Å; Q435-I439 WeakPolarHBondContact O-CD1 3.38Å; Q435-I439 VanDerWaalsContact O-CG1 3.28Å; Q435-I439 WeakPolarHBondContact O-CG1 3.2Å; Q435-I439 PolarHBondContact O-N 3.33Å; Q435-I439 VanDerWaalsContact O-N 3.14Å; Q435-H455 PolarHBondContact NE2-NE2 2.86Å; Q435-H455 PolarHBondContact OE1-NE2 2.82Å; Q435-F458 HydrophobicContact CB-CE1 4.42Å; Q435-E459 PolarHBondContact NE2-OE1 3.01Å; Q435-E459 PolarHBondContact OE1-OE1 2.83Å; Q435-E459 VanDerWaalsContact OE1-OE1 3.04Å |
| 436 | D | 81.6 | Confident | 84.5 | Confident | 49 Ų | 49 | 41.6 Ų | 41.6 | 26% | 0.262 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -66.9 | -40.2 | 177.2 | -84.9 | -3.1 | 0 | 0 | 0 | 110.6 | E433 A434 I439 V440 R679 K684 | E433-D436 PolarHBondContact O-N 3.45Å; E433-D436 VanDerWaalsContact O-N 3.1Å; A434-D436 VanDerWaalsContact C-N 3.32Å; A434-D436 PolarHBondContact O-N 3.04Å; D436-I439 PolarHBondContact O-N 3.45Å; D436-V440 WeakPolarHBondContact O-CG2 3.43Å; D436-V440 PolarHBondContact O-N 2.99Å; D436-R679 IonicContact OD1-NH2 3.23Å; D436-R679 PolarHBondContact OD1-NH2 3.04Å; D436-R679 IonicContact OD2-NH2 2.66Å; D436-R679 PolarHBondContact OD2-NH2 2.89Å; D436-K684 IonicContact OD1-NZ 2.7Å; D436-K684 PolarHBondContact OD1-NZ 3.5Å; D436-K684 IonicContact OD2-NZ 2.65Å; D436-K684 PolarHBondContact OD2-NZ 2.92Å |
| 437 | H | 88 | Confident | 84.5 | Confident | 45 Ų | 45 | 42.7 Ų | 42.7 | 21% | 0.208 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -69.4 | -38.7 | 178.1 | -69.5 | -54.8 | 0 | 0 | 0 | 113.4 | Y422 A423 E433 A434 I439 V440 A441 | Y422-H437 AromaticContact CE1-CE1 3.61Å; Y422-H437 AromaticContact CE1-ND1 3.83Å; Y422-H437 AromaticContact CE1-NE2 3.76Å; A423-H437 HydrophobicContact CB-CB 3.62Å; E433-H437 PolarHBondContact O-CD2 3.09Å; E433-H437 PolarHBondContact O-N 3.49Å; E433-H437 IonicContact OE1-NE2 2.73Å; A434-H437 PolarHBondContact O-N 3.35Å; A434-H437 VanDerWaalsContact O-N 3.12Å; H437-I439 VanDerWaalsContact C-N 3.31Å; H437-I439 PolarHBondContact O-N 2.72Å; H437-V440 PolarHBondContact O-N 3.23Å; H437-A441 PolarHBondContact O-N 3.03Å |
| 438 | F | 91.4 | Very high | 84.9 | Confident | 3 Ų | 3 | 43.3 Ų | 43.3 | 1% | 0.013 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61.2 | -40.5 | 171.4 | -81.5 | -64.8 | 0 | 0 | 0 | 111.5 | V420 A423 E424 A434 V440 A441 R442 A454 H455 F458 | V420-F438 HydrophobicContact CG1-CE1 4.5Å; A423-F438 HydrophobicContact CB-CB 4.48Å; A423-F438 HydrophobicContact CB-CD1 3.78Å; A423-F438 HydrophobicContact CB-CD2 3.86Å; A423-F438 HydrophobicContact CB-CE1 3.87Å; A423-F438 HydrophobicContact CB-CE2 3.93Å; A423-F438 HydrophobicContact CB-CG 3.77Å; A423-F438 HydrophobicContact CB-CZ 3.94Å; E424-F438 HydrophobicContact CG-CE1 4.3Å; E424-F438 HydrophobicContact CG-CZ 3.81Å; A434-F438 HydrophobicContact CB-CD2 4.41Å; A434-F438 HydrophobicContact CB-CE2 4.34Å; A434-F438 VanDerWaalsContact O-CD2 3.24Å; A434-F438 WeakPolarHBondContact O-CD2 3.43Å; A434-F438 PolarHBondContact O-N 3.3Å; F438-V440 VanDerWaalsContact C-N 3.35Å; F438-V440 PolarHBondContact O-N 3.37Å; F438-A441 PolarHBondContact O-N 3.47Å; F438-R442 WeakPolarHBondContact O-CB 3.49Å; F438-R442 PolarHBondContact O-N 3.21Å; F438-A454 HydrophobicContact CE1-CB 4.07Å; F438-H455 HydrophobicContact CB-CB 4.06Å; F438-H455 VanDerWaalsContact CB-CD2 3.43Å; F438-H455 WeakPolarHBondContact CB-CD2 3.29Å; F438-H455 HydrophobicContact CD1-CB 3.86Å; F438-H455 HydrophobicContact CG-CB 4.09Å; F438-H455 AromaticContact CG-CD2 3.68Å; F438-H455 AromaticContact CG-CG 3.96Å; F438-F458 HydrophobicContact CD2-CB 4.18Å; F438-F458 AromaticContact CD2-CD1 3.96Å; F438-F458 HydrophobicContact CD2-CD1 3.96Å; F438-F458 HydrophobicContact CD2-CD2 4.49Å; F438-F458 AromaticContact CD2-CG 3.94Å; F438-F458 HydrophobicContact CD2-CG 3.94Å; F438-F458 HydrophobicContact CE2-CB 3.6Å; F438-F458 HydrophobicContact CE2-CD1 4.01Å; F438-F458 AromaticContact CE2-CD2 3.78Å; F438-F458 HydrophobicContact CE2-CD2 3.78Å; F438-F458 AromaticContact CE2-CG 3.5Å; F438-F458 HydrophobicContact CE2-CG 3.5Å; F438-F458 HydrophobicContact CZ-CB 3.91Å; F438-F458 HydrophobicContact CZ-CG 4.29Å |
| 439 | I | 84.4 | Confident | 85.2 | Confident | 36 Ų | 36 | 40.7 Ų | 40.7 | 19% | 0.185 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -62.7 | -40.2 | 174.2 | -68.6 | 165.1 | 0 | 0 | 0 | 111.1 | Q435 D436 H437 R442 S443 | Q435-I439 HydrophobicContact CG-CD1 4.29Å; Q435-I439 WeakPolarHBondContact O-CD1 3.38Å; Q435-I439 VanDerWaalsContact O-CG1 3.28Å; Q435-I439 WeakPolarHBondContact O-CG1 3.2Å; Q435-I439 PolarHBondContact O-N 3.33Å; Q435-I439 VanDerWaalsContact O-N 3.14Å; D436-I439 PolarHBondContact O-N 3.45Å; H437-I439 VanDerWaalsContact C-N 3.31Å; H437-I439 PolarHBondContact O-N 2.72Å; I439-R442 PolarHBondContact O-N 3.11Å; I439-S443 WeakPolarHBondContact O-CB 3.31Å; I439-S443 PolarHBondContact O-N 3.45Å; I439-S443 PolarHBondContact O-OG 2.89Å |
| 440 | V | 84.7 | Confident | 86 | Confident | 62 Ų | 62 | 38.7 Ų | 38.7 | 38% | 0.376 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -62.1 | -44.8 | 173.7 | 171.4 | 0 | 0 | 0 | 0 | 111.6 | I406 D436 H437 F438 S443 N444 | I406-V440 HydrophobicContact CD1-CG1 3.82Å; D436-V440 WeakPolarHBondContact O-CG2 3.43Å; D436-V440 PolarHBondContact O-N 2.99Å; H437-V440 PolarHBondContact O-N 3.23Å; F438-V440 VanDerWaalsContact C-N 3.35Å; F438-V440 PolarHBondContact O-N 3.37Å; V440-S443 WeakPolarHBondContact CA-OG 3.5Å; V440-S443 PolarHBondContact O-OG 3.49Å; V440-S443 VanDerWaalsContact O-OG 3.07Å; V440-N444 PolarHBondContact O-N 3.17Å; V440-N444 PolarHBondContact O-ND2 3.04Å |
| 441 | A | 89.9 | Confident | 86.7 | Confident | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -60.7 | -51.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | L419 V420 H437 F438 S443 N444 C445 V451 | L419-A441 HydrophobicContact CB-CB 3.87Å; V420-A441 HydrophobicContact CG2-CB 4.43Å; H437-A441 PolarHBondContact O-N 3.03Å; F438-A441 PolarHBondContact O-N 3.47Å; A441-S443 PolarHBondContact O-N 3.31Å; A441-N444 PolarHBondContact O-N 3.39Å; A441-C445 WeakPolarHBondContact O-CB 3.32Å; A441-C445 PolarHBondContact O-N 2.95Å; A441-V451 HydrophobicContact CB-CG1 3.84Å |
| 442 | R | 91.6 | Very high | 87.5 | Confident | 19 Ų | 19 | 33 Ų | 33 | 7% | 0.072 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -67.7 | -33.6 | -176.4 | -134.2 | -177.3 | 73.2 | -131.9 | -6.4 | 113.2 | F438 I439 K446 V451 H452 H455 E705 | F438-R442 WeakPolarHBondContact O-CB 3.49Å; F438-R442 PolarHBondContact O-N 3.21Å; I439-R442 PolarHBondContact O-N 3.11Å; R442-K446 WeakPolarHBondContact O-CG 3.45Å; R442-V451 HydrophobicContact CB-CG1 4.38Å; R442-V451 HydrophobicContact CG-CG1 4.29Å; R442-H452 WeakPolarHBondContact CD-ND1 3.37Å; R442-H452 VanDerWaalsContact CG-ND1 3.3Å; R442-H452 WeakPolarHBondContact CG-ND1 3.44Å; R442-H455 PolarHBondContact NH1-CE1 3.44Å; R442-H455 VanDerWaalsContact NH1-CE1 3.28Å; R442-H455 PolarHBondContact NH1-ND1 2.81Å; R442-E705 IonicContact CZ-OE1 2.66Å; R442-E705 IonicContact NH1-OE1 2.75Å; R442-E705 PolarHBondContact NH1-OE1 3.25Å; R442-E705 IonicContact NH2-OE1 3.2Å; R442-E705 PolarHBondContact NH2-OE1 3.17Å |
| 443 | S | 84.2 | Confident | 88.6 | Confident | 32 Ų | 32 | 29.4 Ų | 29.4 | 22% | 0.224 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -72.8 | -30.7 | -180 | 55.2 | 0 | 0 | 0 | 0 | 113.3 | I439 V440 A441 K446 E704 | I439-S443 WeakPolarHBondContact O-CB 3.31Å; I439-S443 PolarHBondContact O-N 3.45Å; I439-S443 PolarHBondContact O-OG 2.89Å; V440-S443 WeakPolarHBondContact CA-OG 3.5Å; V440-S443 PolarHBondContact O-OG 3.49Å; V440-S443 VanDerWaalsContact O-OG 3.07Å; A441-S443 PolarHBondContact O-N 3.31Å; S443-K446 WeakPolarHBondContact O-CE 3.43Å; S443-K446 PolarHBondContact O-NZ 3.26Å; S443-E704 WeakPolarHBondContact CB-OE2 3.36Å |
| 444 | N | 85.7 | Confident | 89.4 | Confident | 59 Ų | 59 | 27 Ų | 27 | 32% | 0.316 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -97.3 | -39.4 | -178.7 | -69.6 | -89.7 | 0 | 0 | 0 | 113.1 | I406 V440 A441 K446 | I406-N444 HydrophobicContact CD1-CB 3.63Å; I406-N444 VanDerWaalsContact CD1-CG 3.41Å; I406-N444 WeakPolarHBondContact CD1-ND2 3.38Å; I406-N444 HydrophobicContact CG1-CB 3.68Å; V440-N444 PolarHBondContact O-N 3.17Å; V440-N444 PolarHBondContact O-ND2 3.04Å; A441-N444 PolarHBondContact O-N 3.39Å; N444-K446 PolarHBondContact O-N 3.09Å |
| 445 | C | 90.8 | Very high | 89.8 | Confident | 2 Ų | 2 | 27 Ų | 27 | 1% | 0.014 | 15% | 0.15 | C | C | . | . | trans | -100.8 | 37 | -175.3 | -66.8 | 0 | 0 | 0 | 0 | 112.7 | S410 A416 A441 G447 F448 V451 | S410-C445 PolarHBondContact O-SG 3.26Å; A416-C445 HydrophobicContact CB-CB 3.87Å; A441-C445 WeakPolarHBondContact O-CB 3.32Å; A441-C445 PolarHBondContact O-N 2.95Å; C445-G447 PolarHBondContact O-N 3.42Å; C445-F448 HydrophobicContact CB-CD2 4Å; C445-F448 PolarHBondContact O-N 2.98Å; C445-F448 VanDerWaalsContact O-N 3.15Å; C445-V451 HydrophobicContact CB-CG2 4.16Å | ||
| 446 | K | 89.1 | Confident | 90.3 | Very high | 77 Ų | 77 | 26 Ų | 26 | 34% | 0.335 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -49.9 | -27.7 | -172.1 | -75.6 | 176.7 | 173.6 | 160.1 | 0 | 115.9 | R442 S443 N444 H452 L478 A480 E704 | R442-K446 WeakPolarHBondContact O-CG 3.45Å; S443-K446 WeakPolarHBondContact O-CE 3.43Å; S443-K446 PolarHBondContact O-NZ 3.26Å; N444-K446 PolarHBondContact O-N 3.09Å; K446-H452 PolarHBondContact O-NE2 3.36Å; K446-L478 HydrophobicContact CG-CD1 4.49Å; K446-A480 WeakPolarHBondContact O-CB 3.36Å; K446-E704 IonicContact NZ-OE1 2.68Å; K446-E704 PolarHBondContact NZ-OE1 3.1Å |
| 447 | G | 88.5 | Confident | 90.9 | Very high | 46 Ų | 46 | 26 Ų | 26 | 47% | 0.474 | 14% | 0.144 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | -8.5 | -176.7 | 0 | 0 | 0 | 0 | 0 | 116 | C445 A480 K481 | C445-G447 PolarHBondContact O-N 3.42Å; G447-A480 CarbonylContact O-C 3.57Å; G447-A480 WeakPolarHBondContact O-CA 3.26Å; G447-K481 PolarHBondContact O-N 3.33Å |
| 448 | F | 94.5 | Very high | 91.2 | Very high | 37 Ų | 37 | 24.9 Ų | 24.9 | 16% | 0.162 | 14% | 0.139 | C | C | . | . | B | Isolated β-bridge | trans | -102.5 | 116.7 | -174.5 | -66.2 | -77 | 0 | 0 | 0 | 112 | K411 T413 A416 C445 F450 V451 H452 | K411-F448 WeakPolarHBondContact O-CZ 2.78Å; T413-F448 HydrophobicContact CG2-CD1 4.47Å; T413-F448 HydrophobicContact CG2-CE1 4.03Å; T413-F448 WeakPolarHBondContact OG1-CE1 3.45Å; A416-F448 HydrophobicContact CB-CD2 3.76Å; A416-F448 HydrophobicContact CB-CE2 3.91Å; A416-F448 HydrophobicContact CB-CG 4.31Å; C445-F448 HydrophobicContact CB-CD2 4Å; C445-F448 PolarHBondContact O-N 2.98Å; C445-F448 VanDerWaalsContact O-N 3.15Å; F448-F450 VanDerWaalsContact C-N 3.3Å; F448-F450 HydrophobicContact CB-CD1 3.95Å; F448-F450 HydrophobicContact CB-CE1 3.69Å; F448-F450 HydrophobicContact CB-CZ 4.24Å; F448-F450 HydrophobicContact CD1-CD1 4.43Å; F448-F450 AromaticContact CD1-CE1 3.71Å; F448-F450 HydrophobicContact CD1-CE1 3.71Å; F448-F450 HydrophobicContact CD1-CZ 4.5Å; F448-F450 AromaticContact CG-CE1 3.87Å; F448-F450 HydrophobicContact CG-CE1 3.87Å; F448-F450 HydrophobicContact CG-CZ 4.38Å; F448-F450 PolarHBondContact O-N 2.88Å; F448-V451 HydrophobicContact CB-CB 4.45Å; F448-V451 HydrophobicContact CB-CG2 3.7Å; F448-V451 PolarHBondContact O-N 2.87Å; F448-V451 VanDerWaalsContact O-N 3.17Å; F448-H452 PolarHBondContact O-CD2 3.43Å; F448-H452 VanDerWaalsContact O-CD2 3.3Å |
| 449 | A | 92.8 | Very high | 91.1 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -56.3 | -42.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | V451 H452 I453 K481 P482 L486 | A449-V451 PolarHBondContact O-N 3.27Å; A449-H452 PolarHBondContact O-N 3.08Å; A449-H452 VanDerWaalsContact O-N 3.12Å; A449-I453 HydrophobicContact CB-CD1 4.22Å; A449-I453 VanDerWaalsContact O-CG1 3.28Å; A449-I453 WeakPolarHBondContact O-CG1 3.33Å; A449-I453 PolarHBondContact O-N 3.01Å; A449-K481 VanDerWaalsContact CB-C 3.49Å; A449-K481 WeakPolarHBondContact CB-O 3.36Å; A449-K481 PolarHBondContact N-O 2.95Å; A449-P482 VanDerWaalsContact CB-O 3.22Å; A449-P482 WeakPolarHBondContact CB-O 3.48Å; A449-L486 HydrophobicContact CB-CD1 4.18Å; A449-L486 HydrophobicContact CB-CD2 3.98Å; A449-L486 HydrophobicContact CB-CG 3.79Å |
| 450 | F | 94.7 | Very high | 91.4 | Very high | 48 Ų | 48 | 24 Ų | 24 | 21% | 0.211 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -60.4 | -28.8 | -178.4 | 74.6 | -97.9 | 0 | 0 | 0 | 113.4 | T413 A416 R417 V420 F448 I453 A454 | T413-F450 HydrophobicContact CG2-CE1 4.06Å; T413-F450 HydrophobicContact CG2-CZ 4.47Å; A416-F450 HydrophobicContact CB-CE2 4.32Å; A416-F450 HydrophobicContact CB-CZ 3.68Å; R417-F450 HydrophobicContact CB-CE2 4.46Å; R417-F450 HydrophobicContact CG-CE2 3.75Å; R417-F450 HydrophobicContact CG-CZ 3.66Å; V420-F450 HydrophobicContact CG2-CD2 4.29Å; V420-F450 HydrophobicContact CG2-CE2 4.09Å; F448-F450 VanDerWaalsContact C-N 3.3Å; F448-F450 HydrophobicContact CB-CD1 3.95Å; F448-F450 HydrophobicContact CB-CE1 3.69Å; F448-F450 HydrophobicContact CB-CZ 4.24Å; F448-F450 HydrophobicContact CD1-CD1 4.43Å; F448-F450 AromaticContact CD1-CE1 3.71Å; F448-F450 HydrophobicContact CD1-CE1 3.71Å; F448-F450 HydrophobicContact CD1-CZ 4.5Å; F448-F450 AromaticContact CG-CE1 3.87Å; F448-F450 HydrophobicContact CG-CE1 3.87Å; F448-F450 HydrophobicContact CG-CZ 4.38Å; F448-F450 PolarHBondContact O-N 2.88Å; F450-I453 PolarHBondContact O-N 2.89Å; F450-A454 VanDerWaalsContact O-CB 3.28Å; F450-A454 WeakPolarHBondContact O-CB 3.37Å; F450-A454 PolarHBondContact O-N 2.96Å |
| 451 | V | 94.6 | Very high | 91.5 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -69.5 | -39.9 | 178.3 | -177.8 | 0 | 0 | 0 | 0 | 111 | A416 V420 A441 R442 C445 F448 A449 H455 | A416-V451 HydrophobicContact CB-CG2 4.1Å; V420-V451 HydrophobicContact CG2-CB 4.08Å; V420-V451 HydrophobicContact CG2-CG1 3.93Å; V420-V451 HydrophobicContact CG2-CG2 3.83Å; A441-V451 HydrophobicContact CB-CG1 3.84Å; R442-V451 HydrophobicContact CB-CG1 4.38Å; R442-V451 HydrophobicContact CG-CG1 4.29Å; C445-V451 HydrophobicContact CB-CG2 4.16Å; F448-V451 HydrophobicContact CB-CB 4.45Å; F448-V451 HydrophobicContact CB-CG2 3.7Å; F448-V451 PolarHBondContact O-N 2.87Å; F448-V451 VanDerWaalsContact O-N 3.17Å; A449-V451 PolarHBondContact O-N 3.27Å; V451-H455 PolarHBondContact O-N 3.45Å |
| 452 | H | 94.4 | Very high | 91.2 | Very high | 1 Ų | 1 | 28.9 Ų | 28.9 | 1% | 0.005 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -73.3 | -36.4 | 174.1 | -57.6 | -92.2 | 0 | 0 | 0 | 111.9 | R442 K446 F448 A449 H455 A456 I471 A475 | R442-H452 WeakPolarHBondContact CD-ND1 3.37Å; R442-H452 VanDerWaalsContact CG-ND1 3.3Å; R442-H452 WeakPolarHBondContact CG-ND1 3.44Å; K446-H452 PolarHBondContact O-NE2 3.36Å; F448-H452 PolarHBondContact O-CD2 3.43Å; F448-H452 VanDerWaalsContact O-CD2 3.3Å; A449-H452 PolarHBondContact O-N 3.08Å; A449-H452 VanDerWaalsContact O-N 3.12Å; H452-H455 PolarHBondContact O-N 3.44Å; H452-A456 WeakPolarHBondContact O-CB 3.02Å; H452-A456 PolarHBondContact O-N 2.88Å; H452-I471 HydrophobicContact CB-CG2 4.08Å; H452-I471 WeakPolarHBondContact O-CG2 3.42Å; H452-A475 HydrophobicContact CB-CB 3.53Å |
| 453 | I | 94.7 | Very high | 90.7 | Very high | 14 Ų | 14 | 30.1 Ų | 30.1 | 7% | 0.072 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -68.4 | -42.7 | 178.9 | -65.9 | 164.7 | 0 | 0 | 0 | 111.2 | A449 F450 H455 A456 Q457 L472 L485 L486 A489 L500 V501 | A449-I453 HydrophobicContact CB-CD1 4.22Å; A449-I453 VanDerWaalsContact O-CG1 3.28Å; A449-I453 WeakPolarHBondContact O-CG1 3.33Å; A449-I453 PolarHBondContact O-N 3.01Å; F450-I453 PolarHBondContact O-N 2.89Å; I453-H455 VanDerWaalsContact C-N 3.34Å; I453-H455 PolarHBondContact O-N 3.33Å; I453-A456 PolarHBondContact O-N 2.81Å; I453-Q457 VanDerWaalsContact O-CB 3.25Å; I453-Q457 WeakPolarHBondContact O-CB 3.44Å; I453-Q457 PolarHBondContact O-N 3.07Å; I453-L472 HydrophobicContact CG1-CD2 3.89Å; I453-L485 HydrophobicContact CD1-CB 3.6Å; I453-L486 HydrophobicContact CD1-CD2 3.97Å; I453-L486 HydrophobicContact CG1-CD2 3.79Å; I453-A489 HydrophobicContact CD1-CB 4.32Å; I453-A489 HydrophobicContact CG1-CB 4.03Å; I453-A489 HydrophobicContact CG2-CB 4.32Å; I453-L500 HydrophobicContact CG2-CB 4.4Å; I453-V501 HydrophobicContact CD1-CG2 4.24Å; I453-V501 HydrophobicContact CG2-CB 4.37Å; I453-V501 HydrophobicContact CG2-CG2 3.78Å |
| 454 | A | 94.4 | Very high | 90.7 | Very high | 15 Ų | 15 | 31.1 Ų | 31.1 | 12% | 0.124 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -62.1 | -42.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | V420 F438 F450 Q457 F458 | V420-A454 HydrophobicContact CG1-CB 3.49Å; V420-A454 VanDerWaalsContact CG1-CB 3.49Å; F438-A454 HydrophobicContact CE1-CB 4.07Å; F450-A454 VanDerWaalsContact O-CB 3.28Å; F450-A454 WeakPolarHBondContact O-CB 3.37Å; F450-A454 PolarHBondContact O-N 2.96Å; A454-Q457 PolarHBondContact O-N 3.2Å; A454-F458 PolarHBondContact O-N 3.49Å |
| 455 | H | 93.9 | Very high | 90.6 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -65.3 | -44.3 | 173.8 | -169.1 | -166.9 | 0 | 0 | 0 | 112 | Q435 F438 R442 V451 H452 I453 Q457 F458 E459 | Q435-H455 PolarHBondContact NE2-NE2 2.86Å; Q435-H455 PolarHBondContact OE1-NE2 2.82Å; F438-H455 HydrophobicContact CB-CB 4.06Å; F438-H455 VanDerWaalsContact CB-CD2 3.43Å; F438-H455 WeakPolarHBondContact CB-CD2 3.29Å; F438-H455 HydrophobicContact CD1-CB 3.86Å; F438-H455 HydrophobicContact CG-CB 4.09Å; F438-H455 AromaticContact CG-CD2 3.68Å; F438-H455 AromaticContact CG-CG 3.96Å; R442-H455 PolarHBondContact NH1-CE1 3.44Å; R442-H455 VanDerWaalsContact NH1-CE1 3.28Å; R442-H455 PolarHBondContact NH1-ND1 2.81Å; V451-H455 PolarHBondContact O-N 3.45Å; H452-H455 PolarHBondContact O-N 3.44Å; I453-H455 VanDerWaalsContact C-N 3.34Å; I453-H455 PolarHBondContact O-N 3.33Å; H455-Q457 VanDerWaalsContact C-N 3.27Å; H455-Q457 PolarHBondContact O-N 3.25Å; H455-F458 WeakPolarHBondContact O-CB 3.35Å; H455-F458 PolarHBondContact O-N 3.36Å; H455-E459 IonicContact CD2-OE1 3.84Å; H455-E459 IonicContact CE1-OE1 3.5Å; H455-E459 IonicContact NE2-OE1 2.84Å; H455-E459 PolarHBondContact NE2-OE1 3.49Å; H455-E459 VanDerWaalsContact NE2-OE1 3.1Å; H455-E459 VanDerWaalsContact O-CG 3.29Å; H455-E459 WeakPolarHBondContact O-CG 3.47Å; H455-E459 PolarHBondContact O-N 3.43Å |
| 456 | A | 93.6 | Very high | 90 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -61.2 | -35.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | H452 I453 E459 V460 A468 I471 L472 L500 | H452-A456 WeakPolarHBondContact O-CB 3.02Å; H452-A456 PolarHBondContact O-N 2.88Å; I453-A456 PolarHBondContact O-N 2.81Å; A456-E459 PolarHBondContact O-N 3.01Å; A456-V460 VanDerWaalsContact O-CG2 3.29Å; A456-V460 WeakPolarHBondContact O-CG2 3.34Å; A456-V460 PolarHBondContact O-N 2.9Å; A456-A468 HydrophobicContact CB-CB 4.11Å; A456-A468 WeakPolarHBondContact O-CB 3.36Å; A456-I471 HydrophobicContact CB-CB 4.46Å; A456-I471 HydrophobicContact CB-CG2 4.23Å; A456-L472 HydrophobicContact CB-CD1 4.32Å; A456-L472 HydrophobicContact CB-CD2 3.88Å; A456-L472 HydrophobicContact CB-CG 3.86Å; A456-L500 HydrophobicContact CB-CD1 3.76Å |
| 457 | Q | 93.8 | Very high | 89.5 | Confident | 49 Ų | 49 | 35.9 Ų | 35.9 | 23% | 0.229 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -69.2 | -37.3 | 176.6 | -179.9 | 62.7 | 78.9 | 0 | 0 | 112.1 | I453 A454 H455 V460 S461 K498 L500 | I453-Q457 VanDerWaalsContact O-CB 3.25Å; I453-Q457 WeakPolarHBondContact O-CB 3.44Å; I453-Q457 PolarHBondContact O-N 3.07Å; A454-Q457 PolarHBondContact O-N 3.2Å; H455-Q457 VanDerWaalsContact C-N 3.27Å; H455-Q457 PolarHBondContact O-N 3.25Å; Q457-V460 PolarHBondContact O-N 3.07Å; Q457-S461 PolarHBondContact O-N 3.17Å; Q457-K498 PolarHBondContact NE2-O 2.88Å; Q457-L500 HydrophobicContact CB-CD1 4.2Å |
| 458 | F | 92.8 | Very high | 89.5 | Confident | 23 Ų | 23 | 33.7 Ų | 33.7 | 10% | 0.101 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -63.4 | -48 | 169.7 | 173.7 | -98.5 | 0 | 0 | 0 | 111 | P431 A434 Q435 F438 A454 H455 V460 S461 Q462 | P431-F458 HydrophobicContact CB-CE2 4.28Å; P431-F458 HydrophobicContact CB-CZ 3.92Å; P431-F458 VanDerWaalsContact O-CZ 3.3Å; P431-F458 WeakPolarHBondContact O-CZ 3.43Å; A434-F458 HydrophobicContact CB-CE2 4.01Å; A434-F458 HydrophobicContact CB-CZ 4.01Å; Q435-F458 HydrophobicContact CB-CE1 4.42Å; F438-F458 HydrophobicContact CD2-CB 4.18Å; F438-F458 AromaticContact CD2-CD1 3.96Å; F438-F458 HydrophobicContact CD2-CD1 3.96Å; F438-F458 HydrophobicContact CD2-CD2 4.49Å; F438-F458 AromaticContact CD2-CG 3.94Å; F438-F458 HydrophobicContact CD2-CG 3.94Å; F438-F458 HydrophobicContact CE2-CB 3.6Å; F438-F458 HydrophobicContact CE2-CD1 4.01Å; F438-F458 AromaticContact CE2-CD2 3.78Å; F438-F458 HydrophobicContact CE2-CD2 3.78Å; F438-F458 AromaticContact CE2-CG 3.5Å; F438-F458 HydrophobicContact CE2-CG 3.5Å; F438-F458 HydrophobicContact CZ-CB 3.91Å; F438-F458 HydrophobicContact CZ-CG 4.29Å; A454-F458 PolarHBondContact O-N 3.49Å; H455-F458 WeakPolarHBondContact O-CB 3.35Å; H455-F458 PolarHBondContact O-N 3.36Å; F458-V460 VanDerWaalsContact C-N 3.26Å; F458-V460 PolarHBondContact O-N 3.22Å; F458-S461 PolarHBondContact O-N 3.11Å; F458-S461 PolarHBondContact O-OG 3.02Å; F458-Q462 HydrophobicContact CD1-CG 4.42Å; F458-Q462 HydrophobicContact CE1-CG 3.95Å; F458-Q462 HydrophobicContact CE2-CG 4.17Å; F458-Q462 HydrophobicContact CZ-CG 3.8Å; F458-Q462 WeakPolarHBondContact O-CG 3.41Å; F458-Q462 PolarHBondContact O-N 3.33Å |
| 459 | E | 90.7 | Very high | 89.2 | Confident | 1 Ų | 1 | 34.2 Ų | 34.2 | 1% | 0.005 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -60.5 | -35.7 | 176.1 | -61.4 | -78.6 | -169.5 | 0 | 0 | 111.8 | Q435 H455 A456 Q462 G463 N464 K467 A468 I471 | Q435-E459 PolarHBondContact NE2-OE1 3.01Å; Q435-E459 PolarHBondContact OE1-OE1 2.83Å; Q435-E459 VanDerWaalsContact OE1-OE1 3.04Å; H455-E459 IonicContact CD2-OE1 3.84Å; H455-E459 IonicContact CE1-OE1 3.5Å; H455-E459 IonicContact NE2-OE1 2.84Å; H455-E459 PolarHBondContact NE2-OE1 3.49Å; H455-E459 VanDerWaalsContact NE2-OE1 3.1Å; H455-E459 VanDerWaalsContact O-CG 3.29Å; H455-E459 WeakPolarHBondContact O-CG 3.47Å; H455-E459 PolarHBondContact O-N 3.43Å; A456-E459 PolarHBondContact O-N 3.01Å; E459-Q462 CarbonylContact O-C 3.46Å; E459-Q462 PolarHBondContact O-N 3.35Å; E459-G463 PolarHBondContact O-N 3.43Å; E459-G463 VanDerWaalsContact O-N 3.16Å; E459-N464 HydrophobicContact CB-CB 4.08Å; E459-N464 WeakPolarHBondContact O-CA 3.39Å; E459-N464 WeakPolarHBondContact O-CB 3.31Å; E459-N464 PolarHBondContact O-N 3.15Å; E459-N464 WeakPolarHBondContact OE2-CB 3.47Å; E459-N464 PolarHBondContact OE2-ND2 3.34Å; E459-K467 VanDerWaalsContact CD-CE 3.48Å; E459-K467 HydrophobicContact CG-CG 4.41Å; E459-K467 WeakPolarHBondContact OE1-CE 3.36Å; E459-K467 IonicContact OE1-NZ 3.1Å; E459-K467 PolarHBondContact OE1-NZ 3.11Å; E459-K467 WeakPolarHBondContact OE2-CD 3.28Å; E459-K467 WeakPolarHBondContact OE2-CE 3.23Å; E459-K467 IonicContact OE2-NZ 2.72Å; E459-K467 PolarHBondContact OE2-NZ 3.47Å; E459-A468 HydrophobicContact CB-CB 4.07Å; E459-I471 HydrophobicContact CG-CD1 3.75Å |
| 460 | V | 89.3 | Confident | 88.8 | Confident | 20 Ų | 20 | 36.4 Ų | 36.4 | 12% | 0.121 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -64.7 | -39.8 | 171.9 | 167.5 | 0 | 0 | 0 | 0 | 112.1 | A456 Q457 F458 Q462 G463 L465 A468 L493 L500 | A456-V460 VanDerWaalsContact O-CG2 3.29Å; A456-V460 WeakPolarHBondContact O-CG2 3.34Å; A456-V460 PolarHBondContact O-N 2.9Å; Q457-V460 PolarHBondContact O-N 3.07Å; F458-V460 VanDerWaalsContact C-N 3.26Å; F458-V460 PolarHBondContact O-N 3.22Å; V460-Q462 VanDerWaalsContact C-N 3.27Å; V460-Q462 PolarHBondContact O-N 2.85Å; V460-G463 PolarHBondContact O-N 2.92Å; V460-L465 HydrophobicContact CB-CD2 4.48Å; V460-L465 HydrophobicContact CG1-CD2 4.31Å; V460-L465 HydrophobicContact CG2-CD2 4Å; V460-A468 HydrophobicContact CG2-CB 3.74Å; V460-L493 HydrophobicContact CG2-CD1 3.76Å; V460-L500 HydrophobicContact CG2-CD1 4.21Å; V460-L500 HydrophobicContact CG2-CD2 4.19Å; V460-L500 HydrophobicContact CG2-CG 4.39Å |
| 461 | S | 86.9 | Confident | 88.6 | Confident | 78 Ų | 78 | 34.1 Ų | 34.1 | 55% | 0.545 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -67.5 | -29.5 | 176.2 | 79.8 | 0 | 0 | 0 | 0 | 112.4 | Q457 F458 G463 | Q457-S461 PolarHBondContact O-N 3.17Å; F458-S461 PolarHBondContact O-N 3.11Å; F458-S461 PolarHBondContact O-OG 3.02Å; S461-G463 VanDerWaalsContact C-N 3.28Å |
| 462 | Q | 83.9 | Confident | 88.4 | Confident | 86 Ų | 86 | 34.1 Ų | 34.1 | 40% | 0.402 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | 3.6 | 170.3 | -52.8 | -48.2 | -76.3 | 0 | 0 | 113.7 | F458 E459 V460 N464 | F458-Q462 HydrophobicContact CD1-CG 4.42Å; F458-Q462 HydrophobicContact CE1-CG 3.95Å; F458-Q462 HydrophobicContact CE2-CG 4.17Å; F458-Q462 HydrophobicContact CZ-CG 3.8Å; F458-Q462 WeakPolarHBondContact O-CG 3.41Å; F458-Q462 PolarHBondContact O-N 3.33Å; E459-Q462 CarbonylContact O-C 3.46Å; E459-Q462 PolarHBondContact O-N 3.35Å; V460-Q462 VanDerWaalsContact C-N 3.27Å; V460-Q462 PolarHBondContact O-N 2.85Å; Q462-N464 VanDerWaalsContact C-N 3.29Å; Q462-N464 PolarHBondContact O-N 3.25Å |
| 463 | G | 82.5 | Confident | 88.1 | Confident | 45 Ų | 45 | 38.5 Ų | 38.5 | 46% | 0.464 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 76.7 | 2.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | E459 V460 S461 L465 | E459-G463 PolarHBondContact O-N 3.43Å; E459-G463 VanDerWaalsContact O-N 3.16Å; V460-G463 PolarHBondContact O-N 2.92Å; S461-G463 VanDerWaalsContact C-N 3.28Å; G463-L465 PolarHBondContact O-N 3.43Å |
| 464 | N | 82.5 | Confident | 87.8 | Confident | 53 Ų | 53 | 40.5 Ų | 40.5 | 28% | 0.283 | 23% | 0.229 | S | C | . | . | trans | -79 | 52.6 | -175.8 | -67.7 | -38 | 0 | 0 | 0 | 113.4 | E459 Q462 V466 K467 A468 | E459-N464 HydrophobicContact CB-CB 4.08Å; E459-N464 WeakPolarHBondContact O-CA 3.39Å; E459-N464 WeakPolarHBondContact O-CB 3.31Å; E459-N464 PolarHBondContact O-N 3.15Å; E459-N464 WeakPolarHBondContact OE2-CB 3.47Å; E459-N464 PolarHBondContact OE2-ND2 3.34Å; Q462-N464 VanDerWaalsContact C-N 3.29Å; Q462-N464 PolarHBondContact O-N 3.25Å; N464-V466 VanDerWaalsContact C-N 3.27Å; N464-V466 PolarHBondContact O-N 3.23Å; N464-V466 VanDerWaalsContact O-N 3.12Å; N464-K467 HydrophobicContact CB-CB 3.97Å; N464-K467 HydrophobicContact CB-CD 4.43Å; N464-K467 WeakPolarHBondContact O-CA 3.4Å; N464-K467 WeakPolarHBondContact O-CB 3.48Å; N464-K467 PolarHBondContact O-N 2.89Å; N464-A468 PolarHBondContact O-N 2.97Å | ||
| 465 | L | 83.9 | Confident | 87.5 | Confident | 90 Ų | 90 | 39.8 Ų | 39.8 | 47% | 0.471 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -53.8 | -37 | -173 | -56.5 | -177.7 | 0 | 0 | 0 | 114.3 | V460 G463 K467 T469 L493 | V460-L465 HydrophobicContact CB-CD2 4.48Å; V460-L465 HydrophobicContact CG1-CD2 4.31Å; V460-L465 HydrophobicContact CG2-CD2 4Å; G463-L465 PolarHBondContact O-N 3.43Å; L465-K467 VanDerWaalsContact C-N 3.34Å; L465-K467 PolarHBondContact O-N 3.02Å; L465-T469 WeakPolarHBondContact O-CB 3.37Å; L465-T469 PolarHBondContact O-N 2.99Å; L465-T469 PolarHBondContact O-OG1 2.92Å; L465-L493 HydrophobicContact CD2-CD1 4.04Å |
| 466 | V | 77.6 | Confident | 87.3 | Confident | 79 Ų | 79 | 42 Ų | 42 | 48% | 0.479 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -64.7 | -38.9 | 177.1 | -179 | 0 | 0 | 0 | 0 | 111.3 | N464 T469 S470 I824 | N464-V466 VanDerWaalsContact C-N 3.27Å; N464-V466 PolarHBondContact O-N 3.23Å; N464-V466 VanDerWaalsContact O-N 3.12Å; V466-T469 PolarHBondContact O-N 2.9Å; V466-S470 PolarHBondContact O-N 3.41Å; V466-I824 HydrophobicContact CG2-CD1 3.98Å |
| 467 | K | 80.5 | Confident | 86.9 | Confident | 68 Ų | 68 | 45.9 Ų | 45.9 | 30% | 0.296 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -73.5 | -44 | -179.6 | -163.7 | 165.4 | 163.7 | -135.3 | 0 | 110.6 | E459 N464 L465 T469 S470 I471 | E459-K467 VanDerWaalsContact CD-CE 3.48Å; E459-K467 HydrophobicContact CG-CG 4.41Å; E459-K467 WeakPolarHBondContact OE1-CE 3.36Å; E459-K467 IonicContact OE1-NZ 3.1Å; E459-K467 PolarHBondContact OE1-NZ 3.11Å; E459-K467 WeakPolarHBondContact OE2-CD 3.28Å; E459-K467 WeakPolarHBondContact OE2-CE 3.23Å; E459-K467 IonicContact OE2-NZ 2.72Å; E459-K467 PolarHBondContact OE2-NZ 3.47Å; N464-K467 HydrophobicContact CB-CB 3.97Å; N464-K467 HydrophobicContact CB-CD 4.43Å; N464-K467 WeakPolarHBondContact O-CA 3.4Å; N464-K467 WeakPolarHBondContact O-CB 3.48Å; N464-K467 PolarHBondContact O-N 2.89Å; L465-K467 VanDerWaalsContact C-N 3.34Å; L465-K467 PolarHBondContact O-N 3.02Å; K467-T469 VanDerWaalsContact C-N 3.3Å; K467-T469 PolarHBondContact O-N 3.33Å; K467-S470 WeakPolarHBondContact O-CB 3.33Å; K467-S470 PolarHBondContact O-N 3.44Å; K467-S470 VanDerWaalsContact O-N 3.13Å; K467-I471 HydrophobicContact CG-CD1 4.48Å; K467-I471 VanDerWaalsContact O-CG1 3.32Å; K467-I471 WeakPolarHBondContact O-CG1 3.48Å; K467-I471 PolarHBondContact O-N 3.37Å |
| 468 | A | 87.2 | Confident | 86.5 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -54.4 | -45.1 | 169.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | A456 E459 V460 N464 S470 I471 L472 L493 | A456-A468 HydrophobicContact CB-CB 4.11Å; A456-A468 WeakPolarHBondContact O-CB 3.36Å; E459-A468 HydrophobicContact CB-CB 4.07Å; V460-A468 HydrophobicContact CG2-CB 3.74Å; N464-A468 PolarHBondContact O-N 2.97Å; A468-S470 PolarHBondContact O-N 3.35Å; A468-I471 PolarHBondContact O-N 2.98Å; A468-L472 WeakPolarHBondContact O-CG 3.4Å; A468-L472 PolarHBondContact O-N 3.22Å; A468-L472 VanDerWaalsContact O-N 3.08Å; A468-L493 HydrophobicContact CB-CD2 4.1Å |
| 469 | T | 87.9 | Confident | 86.3 | Confident | 49 Ų | 49 | 53.1 Ų | 53.1 | 30% | 0.301 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -60.8 | -45.6 | 175.5 | -54.4 | 0 | 0 | 0 | 0 | 111.6 | L465 V466 K467 I471 L472 H473 L493 | L465-T469 WeakPolarHBondContact O-CB 3.37Å; L465-T469 PolarHBondContact O-N 2.99Å; L465-T469 PolarHBondContact O-OG1 2.92Å; V466-T469 PolarHBondContact O-N 2.9Å; K467-T469 VanDerWaalsContact C-N 3.3Å; K467-T469 PolarHBondContact O-N 3.33Å; T469-I471 VanDerWaalsContact C-N 3.33Å; T469-I471 PolarHBondContact O-N 3.24Å; T469-L472 PolarHBondContact O-N 2.95Å; T469-H473 PolarHBondContact O-N 2.64Å; T469-L493 WeakPolarHBondContact OG1-CD2 3.48Å |
| 470 | S | 85.8 | Confident | 86.3 | Confident | 45 Ų | 45 | 53.1 Ų | 53.1 | 32% | 0.315 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -60.3 | -41.3 | 177.2 | -164.6 | 0 | 0 | 0 | 0 | 112.2 | V466 K467 A468 K474 | V466-S470 PolarHBondContact O-N 3.41Å; K467-S470 WeakPolarHBondContact O-CB 3.33Å; K467-S470 PolarHBondContact O-N 3.44Å; K467-S470 VanDerWaalsContact O-N 3.13Å; A468-S470 PolarHBondContact O-N 3.35Å; S470-K474 WeakPolarHBondContact O-CB 3.46Å; S470-K474 WeakPolarHBondContact O-CD 3.27Å; S470-K474 VanDerWaalsContact O-CG 3.26Å; S470-K474 WeakPolarHBondContact O-CG 3.37Å; S470-K474 PolarHBondContact O-N 3.01Å; S470-K474 PolarHBondContact OG-NZ 2.63Å |
| 471 | I | 89.5 | Confident | 86.4 | Confident | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -63.8 | -47.2 | 178.7 | -69 | 163.4 | 0 | 0 | 0 | 111 | H452 A456 E459 K467 A468 T469 K474 A475 | H452-I471 HydrophobicContact CB-CG2 4.08Å; H452-I471 WeakPolarHBondContact O-CG2 3.42Å; A456-I471 HydrophobicContact CB-CB 4.46Å; A456-I471 HydrophobicContact CB-CG2 4.23Å; E459-I471 HydrophobicContact CG-CD1 3.75Å; K467-I471 HydrophobicContact CG-CD1 4.48Å; K467-I471 VanDerWaalsContact O-CG1 3.32Å; K467-I471 WeakPolarHBondContact O-CG1 3.48Å; K467-I471 PolarHBondContact O-N 3.37Å; A468-I471 PolarHBondContact O-N 2.98Å; T469-I471 VanDerWaalsContact C-N 3.33Å; T469-I471 PolarHBondContact O-N 3.24Å; I471-K474 PolarHBondContact O-N 3Å; I471-A475 WeakPolarHBondContact O-CB 3.32Å; I471-A475 PolarHBondContact O-N 2.78Å |
| 472 | L | 91.6 | Very high | 86.7 | Confident | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -66.8 | -40 | 179.4 | -63.6 | 175.4 | 0 | 0 | 0 | 112.4 | I453 A456 A468 T469 K474 A475 L476 L486 A489 M490 L493 L500 | I453-L472 HydrophobicContact CG1-CD2 3.89Å; A456-L472 HydrophobicContact CB-CD1 4.32Å; A456-L472 HydrophobicContact CB-CD2 3.88Å; A456-L472 HydrophobicContact CB-CG 3.86Å; A468-L472 WeakPolarHBondContact O-CG 3.4Å; A468-L472 PolarHBondContact O-N 3.22Å; A468-L472 VanDerWaalsContact O-N 3.08Å; T469-L472 PolarHBondContact O-N 2.95Å; L472-K474 PolarHBondContact O-N 3.09Å; L472-A475 WeakPolarHBondContact O-CB 3.39Å; L472-A475 PolarHBondContact O-N 2.66Å; L472-L476 PolarHBondContact O-N 2.95Å; L472-L486 HydrophobicContact CD2-CD2 4.07Å; L472-A489 HydrophobicContact CD1-CB 3.86Å; L472-A489 HydrophobicContact CD2-CB 4Å; L472-M490 HydrophobicContact CB-CG 3.58Å; L472-M490 HydrophobicContact CB-SD 3.94Å; L472-M490 HydrophobicContact CD1-CG 3.73Å; L472-M490 HydrophobicContact CG-CG 4.27Å; L472-L493 HydrophobicContact CD1-CD2 3.92Å; L472-L500 HydrophobicContact CD1-CD1 4.42Å |
| 473 | H | 87.8 | Confident | 86.9 | Confident | 93 Ų | 93 | 56.6 Ų | 56.6 | 43% | 0.431 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -61.7 | -41.3 | 172.5 | -73.2 | 175.7 | 0 | 0 | 0 | 112.3 | T469 A475 L476 A477 M490 | T469-H473 PolarHBondContact O-N 2.64Å; H473-A475 VanDerWaalsContact C-N 3.34Å; H473-L476 PolarHBondContact O-N 2.69Å; H473-A477 PolarHBondContact O-N 3.34Å; H473-M490 VanDerWaalsContact CD2-CE 3.44Å; H473-M490 WeakPolarHBondContact CD2-CE 3.43Å |
| 474 | K | 86.8 | Confident | 87.3 | Confident | 56 Ų | 56 | 60.9 Ų | 60.9 | 24% | 0.243 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -64.1 | -37.5 | 174 | -76 | 162.3 | 175.8 | 152.4 | 0 | 111.7 | S470 I471 L472 A477 L478 E705 | S470-K474 WeakPolarHBondContact O-CB 3.46Å; S470-K474 WeakPolarHBondContact O-CD 3.27Å; S470-K474 VanDerWaalsContact O-CG 3.26Å; S470-K474 WeakPolarHBondContact O-CG 3.37Å; S470-K474 PolarHBondContact O-N 3.01Å; S470-K474 PolarHBondContact OG-NZ 2.63Å; I471-K474 PolarHBondContact O-N 3Å; L472-K474 PolarHBondContact O-N 3.09Å; K474-A477 PolarHBondContact O-N 3.15Å; K474-L478 WeakPolarHBondContact O-CB 3.39Å; K474-L478 VanDerWaalsContact O-CG 3.25Å; K474-L478 WeakPolarHBondContact O-CG 3.43Å; K474-L478 PolarHBondContact O-N 3.47Å; K474-E705 PolarHBondContact NZ-O 3.41Å |
| 475 | A | 90 | Very high | 87.7 | Confident | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -64.5 | -41.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | H452 I471 L472 H473 L478 N479 A480 L486 | H452-A475 HydrophobicContact CB-CB 3.53Å; I471-A475 WeakPolarHBondContact O-CB 3.32Å; I471-A475 PolarHBondContact O-N 2.78Å; L472-A475 WeakPolarHBondContact O-CB 3.39Å; L472-A475 PolarHBondContact O-N 2.66Å; H473-A475 VanDerWaalsContact C-N 3.34Å; A475-L478 PolarHBondContact O-N 3.02Å; A475-N479 PolarHBondContact O-N 2.93Å; A475-A480 PolarHBondContact O-N 2.8Å; A475-A480 VanDerWaalsContact O-N 3.11Å; A475-L486 HydrophobicContact CB-CD1 3.87Å; A475-L486 HydrophobicContact CB-CD2 3.64Å; A475-L486 HydrophobicContact CB-CG 4.43Å |
| 476 | L | 87.9 | Confident | 87.9 | Confident | 47 Ų | 47 | 55.6 Ų | 55.6 | 25% | 0.246 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -63.3 | -46.5 | 172 | -75.6 | -179.6 | 0 | 0 | 0 | 111.6 | L472 H473 L478 N479 L486 M490 | L472-L476 PolarHBondContact O-N 2.95Å; H473-L476 PolarHBondContact O-N 2.69Å; L476-L478 PolarHBondContact O-N 3.46Å; L476-N479 WeakPolarHBondContact O-CA 3.47Å; L476-N479 PolarHBondContact O-N 3.34Å; L476-L486 HydrophobicContact CD2-CB 3.7Å; L476-L486 HydrophobicContact CD2-CD1 3.83Å; L476-L486 HydrophobicContact CD2-CG 4.42Å; L476-L486 HydrophobicContact CG-CB 4.16Å; L476-L486 HydrophobicContact CG-CD1 4.28Å; L476-M490 HydrophobicContact CD1-CE 3.75Å; L476-M490 HydrophobicContact CD1-SD 3.38Å; L476-M490 WeakPolarHBondContact CD1-SD 3.47Å; L476-M490 HydrophobicContact CG-SD 4.12Å |
| 477 | A | 85.7 | Confident | 88.5 | Confident | 81 Ų | 81 | 56.2 Ų | 56.2 | 67% | 0.669 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -61.6 | -28.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | H473 K474 N479 | H473-A477 PolarHBondContact O-N 3.34Å; K474-A477 PolarHBondContact O-N 3.15Å; A477-N479 VanDerWaalsContact C-N 3.3Å |
| 478 | L | 86.5 | Confident | 89 | Confident | 90 Ų | 90 | 54.9 Ų | 54.9 | 47% | 0.471 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82 | -0.6 | 173.1 | -72.2 | 171.5 | 0 | 0 | 0 | 114 | K446 K474 A475 L476 A480 | K446-L478 HydrophobicContact CG-CD1 4.49Å; K474-L478 WeakPolarHBondContact O-CB 3.39Å; K474-L478 VanDerWaalsContact O-CG 3.25Å; K474-L478 WeakPolarHBondContact O-CG 3.43Å; K474-L478 PolarHBondContact O-N 3.47Å; A475-L478 PolarHBondContact O-N 3.02Å; L476-L478 PolarHBondContact O-N 3.46Å; L478-A480 VanDerWaalsContact C-N 3.26Å; L478-A480 PolarHBondContact O-N 3.36Å |
| 479 | N | 88.2 | Confident | 89.1 | Confident | 135 Ų | 135 | 54.9 Ų | 54.9 | 72% | 0.722 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.7 | 37.4 | -175.2 | -64.3 | -82.7 | 0 | 0 | 0 | 113.7 | A475 L476 A477 | A475-N479 PolarHBondContact O-N 2.93Å; L476-N479 WeakPolarHBondContact O-CA 3.47Å; L476-N479 PolarHBondContact O-N 3.34Å; A477-N479 VanDerWaalsContact C-N 3.3Å |
| 480 | A | 91 | Very high | 89.2 | Confident | 1 Ų | 1 | 53.2 Ų | 53.2 | 1% | 0.008 | 29% | 0.289 | C | S | . | . | trans | -67.5 | 141.7 | 179 | 0 | 0 | 0 | 0 | 0 | 111.7 | K446 G447 A475 L478 L486 | K446-A480 WeakPolarHBondContact O-CB 3.36Å; G447-A480 CarbonylContact O-C 3.57Å; G447-A480 WeakPolarHBondContact O-CA 3.26Å; A475-A480 PolarHBondContact O-N 2.8Å; A475-A480 VanDerWaalsContact O-N 3.11Å; L478-A480 VanDerWaalsContact C-N 3.26Å; L478-A480 PolarHBondContact O-N 3.36Å; A480-L486 HydrophobicContact CB-CD1 4.2Å; A480-L486 WeakPolarHBondContact O-CD1 3.37Å | ||
| 481 | K | 91.7 | Very high | 89.4 | Confident | 152 Ų | 152 | 57.4 Ų | 57.4 | 66% | 0.661 | 30% | 0.298 | S | S | * | . | B | Isolated β-bridge | trans | -116.6 | 152.3 | -169 | -67.6 | -171.2 | 172.9 | -174.6 | 0 | 113.6 | G447 A449 | G447-K481 PolarHBondContact O-N 3.33Å; A449-K481 VanDerWaalsContact CB-C 3.49Å; A449-K481 WeakPolarHBondContact CB-O 3.36Å; A449-K481 PolarHBondContact N-O 2.95Å |
| 482 | P | 92.6 | Very high | 89.5 | Confident | 62 Ų | 62 | 59.1 Ų | 59.1 | 40% | 0.403 | 31% | 0.307 | S | S | . | . | cis | -70.7 | 142.5 | -10.6 | 29.9 | -35.4 | 0 | 0 | 0 | 111.9 | A449 E484 L485 | A449-P482 VanDerWaalsContact CB-O 3.22Å; A449-P482 WeakPolarHBondContact CB-O 3.48Å; P482-E484 VanDerWaalsContact C-N 3.31Å; P482-E484 VanDerWaalsContact CB-OE2 3.27Å; P482-E484 WeakPolarHBondContact CB-OE2 3.33Å; P482-E484 PolarHBondContact O-N 3.47Å; P482-L485 HydrophobicContact CG-CB 4.5Å; P482-L485 HydrophobicContact CG-CD1 3.49Å; P482-L485 VanDerWaalsContact CG-CD1 3.49Å; P482-L485 HydrophobicContact CG-CG 3.78Å | ||
| 483 | A | 87.5 | Confident | 89.3 | Confident | 43 Ų | 43 | 60 Ų | 60 | 36% | 0.355 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -74.6 | -26.5 | -173.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | L485 L486 E487 | A483-L485 PolarHBondContact O-N 3.34Å; A483-L486 WeakPolarHBondContact O-CB 3.32Å; A483-L486 PolarHBondContact O-N 3.09Å; A483-E487 PolarHBondContact O-N 3.04Å |
| 484 | E | 90.1 | Very high | 89.3 | Confident | 134 Ų | 134 | 63.2 Ų | 63.2 | 63% | 0.626 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -58.3 | -31.2 | 177.8 | -60.4 | 75.5 | -169.2 | 0 | 0 | 112.1 | P482 T488 | P482-E484 VanDerWaalsContact C-N 3.31Å; P482-E484 VanDerWaalsContact CB-OE2 3.27Å; P482-E484 WeakPolarHBondContact CB-OE2 3.33Å; P482-E484 PolarHBondContact O-N 3.47Å; E484-T488 WeakPolarHBondContact O-CB 3.3Å; E484-T488 PolarHBondContact O-N 3.37Å; E484-T488 VanDerWaalsContact O-N 3.15Å; E484-T488 PolarHBondContact O-OG1 3.12Å |
| 485 | L | 91.1 | Very high | 89.1 | Confident | 32 Ų | 32 | 64.6 Ų | 64.6 | 17% | 0.168 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -76.4 | -34.3 | 173.7 | -63.9 | 179.1 | 0 | 0 | 0 | 112.6 | I453 P482 A483 T488 A489 V501 M504 | I453-L485 HydrophobicContact CD1-CB 3.6Å; P482-L485 HydrophobicContact CG-CB 4.5Å; P482-L485 HydrophobicContact CG-CD1 3.49Å; P482-L485 VanDerWaalsContact CG-CD1 3.49Å; P482-L485 HydrophobicContact CG-CG 3.78Å; A483-L485 PolarHBondContact O-N 3.34Å; L485-T488 PolarHBondContact O-N 3.17Å; L485-A489 VanDerWaalsContact O-CB 3.28Å; L485-A489 WeakPolarHBondContact O-CB 3.44Å; L485-A489 PolarHBondContact O-N 3.38Å; L485-V501 HydrophobicContact CD2-CG1 4.03Å; L485-M504 HydrophobicContact CD1-CE 3.4Å; L485-M504 HydrophobicContact CD2-CE 4.18Å; L485-M504 HydrophobicContact CG-CE 4.41Å |
| 486 | L | 89.8 | Confident | 88.7 | Confident | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -68.8 | -45.1 | 176.6 | -65.3 | 173.3 | 0 | 0 | 0 | 110.7 | A449 I453 L472 A475 L476 A480 A483 T488 A489 M490 | A449-L486 HydrophobicContact CB-CD1 4.18Å; A449-L486 HydrophobicContact CB-CD2 3.98Å; A449-L486 HydrophobicContact CB-CG 3.79Å; I453-L486 HydrophobicContact CD1-CD2 3.97Å; I453-L486 HydrophobicContact CG1-CD2 3.79Å; L472-L486 HydrophobicContact CD2-CD2 4.07Å; A475-L486 HydrophobicContact CB-CD1 3.87Å; A475-L486 HydrophobicContact CB-CD2 3.64Å; A475-L486 HydrophobicContact CB-CG 4.43Å; L476-L486 HydrophobicContact CD2-CB 3.7Å; L476-L486 HydrophobicContact CD2-CD1 3.83Å; L476-L486 HydrophobicContact CD2-CG 4.42Å; L476-L486 HydrophobicContact CG-CB 4.16Å; L476-L486 HydrophobicContact CG-CD1 4.28Å; A480-L486 HydrophobicContact CB-CD1 4.2Å; A480-L486 WeakPolarHBondContact O-CD1 3.37Å; A483-L486 WeakPolarHBondContact O-CB 3.32Å; A483-L486 PolarHBondContact O-N 3.09Å; L486-T488 VanDerWaalsContact C-N 3.27Å; L486-T488 PolarHBondContact O-N 3.13Å; L486-A489 PolarHBondContact O-N 2.87Å; L486-M490 WeakPolarHBondContact O-CB 3.44Å; L486-M490 WeakPolarHBondContact O-CG 3.34Å; L486-M490 PolarHBondContact O-N 3.2Å |
| 487 | E | 89.8 | Confident | 88.3 | Confident | 93 Ų | 93 | 70.5 Ų | 70.5 | 44% | 0.435 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -61.1 | -36.5 | 173.5 | -72.6 | -61.6 | 158 | 0 | 0 | 112.1 | A483 R491 | A483-E487 PolarHBondContact O-N 3.04Å; E487-R491 WeakPolarHBondContact O-CB 3.43Å; E487-R491 PolarHBondContact O-N 3.21Å |
| 488 | T | 90.1 | Very high | 87.8 | Confident | 40 Ų | 40 | 74.9 Ų | 74.9 | 25% | 0.245 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -73 | -43.3 | 176.6 | -61.7 | 0 | 0 | 0 | 0 | 112.3 | E484 L485 L486 M490 R491 N492 | E484-T488 WeakPolarHBondContact O-CB 3.3Å; E484-T488 PolarHBondContact O-N 3.37Å; E484-T488 VanDerWaalsContact O-N 3.15Å; E484-T488 PolarHBondContact O-OG1 3.12Å; L485-T488 PolarHBondContact O-N 3.17Å; L486-T488 VanDerWaalsContact C-N 3.27Å; L486-T488 PolarHBondContact O-N 3.13Å; T488-M490 VanDerWaalsContact C-N 3.31Å; T488-M490 PolarHBondContact O-N 2.83Å; T488-R491 WeakPolarHBondContact O-CB 3.41Å; T488-R491 PolarHBondContact O-N 3.29Å; T488-R491 PolarHBondContact OG1-NH1 2.82Å; T488-N492 WeakPolarHBondContact O-CB 3.39Å; T488-N492 VanDerWaalsContact O-CG 3.25Å; T488-N492 PolarHBondContact O-N 3.46Å; T488-N492 PolarHBondContact O-OD1 3.03Å |
| 489 | A | 90.6 | Very high | 87.7 | Confident | 0 Ų | 0 | 74.3 Ų | 74.3 | 0% | 0 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -58.2 | -42.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | I453 L472 L485 L486 N492 L493 L500 V501 | I453-A489 HydrophobicContact CD1-CB 4.32Å; I453-A489 HydrophobicContact CG1-CB 4.03Å; I453-A489 HydrophobicContact CG2-CB 4.32Å; L472-A489 HydrophobicContact CD1-CB 3.86Å; L472-A489 HydrophobicContact CD2-CB 4Å; L485-A489 VanDerWaalsContact O-CB 3.28Å; L485-A489 WeakPolarHBondContact O-CB 3.44Å; L485-A489 PolarHBondContact O-N 3.38Å; L486-A489 PolarHBondContact O-N 2.87Å; A489-N492 PolarHBondContact O-N 3.25Å; A489-L493 VanDerWaalsContact O-CB 3.27Å; A489-L493 WeakPolarHBondContact O-CB 3.39Å; A489-L493 PolarHBondContact O-N 3.06Å; A489-L500 WeakPolarHBondContact CA-O 3.47Å; A489-L500 HydrophobicContact CB-CB 4.05Å; A489-V501 HydrophobicContact CB-CG2 4Å |
| 490 | M | 89.7 | Confident | 87.5 | Confident | 14 Ų | 14 | 67.9 Ų | 67.9 | 7% | 0.069 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -69.6 | -33.9 | 177.1 | -77 | 175.6 | 42.1 | 0 | 0 | 113.4 | L472 H473 L476 L486 T488 K494 | L472-M490 HydrophobicContact CB-CG 3.58Å; L472-M490 HydrophobicContact CB-SD 3.94Å; L472-M490 HydrophobicContact CD1-CG 3.73Å; L472-M490 HydrophobicContact CG-CG 4.27Å; H473-M490 VanDerWaalsContact CD2-CE 3.44Å; H473-M490 WeakPolarHBondContact CD2-CE 3.43Å; L476-M490 HydrophobicContact CD1-CE 3.75Å; L476-M490 HydrophobicContact CD1-SD 3.38Å; L476-M490 WeakPolarHBondContact CD1-SD 3.47Å; L476-M490 HydrophobicContact CG-SD 4.12Å; L486-M490 WeakPolarHBondContact O-CB 3.44Å; L486-M490 WeakPolarHBondContact O-CG 3.34Å; L486-M490 PolarHBondContact O-N 3.2Å; T488-M490 VanDerWaalsContact C-N 3.31Å; T488-M490 PolarHBondContact O-N 2.83Å; M490-K494 WeakPolarHBondContact O-CB 3.37Å; M490-K494 WeakPolarHBondContact O-CD 3.35Å; M490-K494 VanDerWaalsContact O-CG 3.22Å; M490-K494 WeakPolarHBondContact O-CG 3.44Å; M490-K494 PolarHBondContact O-N 3.42Å; M490-K494 VanDerWaalsContact O-N 3.15Å |
| 491 | R | 90.5 | Very high | 87.2 | Confident | 133 Ų | 133 | 69 Ų | 69 | 50% | 0.502 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -64.2 | -49.7 | 172.5 | -169.6 | -173.3 | -52.1 | 107.1 | 9.9 | 110.4 | E487 T488 L493 K494 S495 | E487-R491 WeakPolarHBondContact O-CB 3.43Å; E487-R491 PolarHBondContact O-N 3.21Å; T488-R491 WeakPolarHBondContact O-CB 3.41Å; T488-R491 PolarHBondContact O-N 3.29Å; T488-R491 PolarHBondContact OG1-NH1 2.82Å; R491-L493 PolarHBondContact O-N 2.98Å; R491-K494 PolarHBondContact O-N 3.02Å; R491-K494 VanDerWaalsContact O-N 3.17Å; R491-S495 PolarHBondContact O-N 2.97Å; R491-S495 PolarHBondContact O-OG 3.48Å |
| 492 | N | 89.9 | Confident | 86 | Confident | 35 Ų | 35 | 66 Ų | 66 | 19% | 0.187 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -66 | -40.6 | -177.7 | -67.9 | -0.5 | 0 | 0 | 0 | 111.4 | T488 A489 K494 S495 G496 E497 L500 | T488-N492 WeakPolarHBondContact O-CB 3.39Å; T488-N492 VanDerWaalsContact O-CG 3.25Å; T488-N492 PolarHBondContact O-N 3.46Å; T488-N492 PolarHBondContact O-OD1 3.03Å; A489-N492 PolarHBondContact O-N 3.25Å; N492-K494 VanDerWaalsContact C-N 3.33Å; N492-K494 PolarHBondContact O-N 2.84Å; N492-S495 PolarHBondContact O-N 3.35Å; N492-S495 VanDerWaalsContact O-N 3.16Å; N492-G496 PolarHBondContact O-N 2.92Å; N492-G496 VanDerWaalsContact O-N 3.14Å; N492-E497 HydrophobicContact CB-CB 4Å; N492-E497 HydrophobicContact CB-CG 4.2Å; N492-E497 WeakPolarHBondContact O-CB 3.34Å; N492-E497 PolarHBondContact O-N 2.75Å; N492-L500 PolarHBondContact ND2-O 2.99Å |
| 493 | L | 88.5 | Confident | 84.3 | Confident | 20 Ų | 20 | 67 Ų | 67 | 11% | 0.105 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -59.8 | -39.4 | 172.2 | -175.6 | 57.1 | 0 | 0 | 0 | 112.7 | V460 L465 A468 T469 L472 A489 R491 G496 L500 | V460-L493 HydrophobicContact CG2-CD1 3.76Å; L465-L493 HydrophobicContact CD2-CD1 4.04Å; A468-L493 HydrophobicContact CB-CD2 4.1Å; T469-L493 WeakPolarHBondContact OG1-CD2 3.48Å; L472-L493 HydrophobicContact CD1-CD2 3.92Å; A489-L493 VanDerWaalsContact O-CB 3.27Å; A489-L493 WeakPolarHBondContact O-CB 3.39Å; A489-L493 PolarHBondContact O-N 3.06Å; R491-L493 PolarHBondContact O-N 2.98Å; L493-G496 PolarHBondContact O-N 1.98Å; L493-L500 HydrophobicContact CB-CD2 3.74Å; L493-L500 HydrophobicContact CD1-CD2 4.18Å; L493-L500 HydrophobicContact CG-CD2 4.45Å |
| 494 | K | 86.4 | Confident | 82.5 | Confident | 159 Ų | 159 | 70.7 Ų | 70.7 | 69% | 0.691 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -71.3 | -30.5 | 175.5 | -73.2 | 169.3 | -174.7 | 174.6 | 0 | 113 | M490 R491 N492 G496 | M490-K494 WeakPolarHBondContact O-CB 3.37Å; M490-K494 WeakPolarHBondContact O-CD 3.35Å; M490-K494 VanDerWaalsContact O-CG 3.22Å; M490-K494 WeakPolarHBondContact O-CG 3.44Å; M490-K494 PolarHBondContact O-N 3.42Å; M490-K494 VanDerWaalsContact O-N 3.15Å; R491-K494 PolarHBondContact O-N 3.02Å; R491-K494 VanDerWaalsContact O-N 3.17Å; N492-K494 VanDerWaalsContact C-N 3.33Å; N492-K494 PolarHBondContact O-N 2.84Å; K494-G496 PolarHBondContact O-N 3.08Å |
| 495 | S | 83.8 | Confident | 80.1 | Confident | 85 Ų | 85 | 73.7 Ų | 73.7 | 59% | 0.594 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -74.8 | -10.6 | 172.6 | -61.8 | 0 | 0 | 0 | 0 | 113.6 | R491 N492 | R491-S495 PolarHBondContact O-N 2.97Å; R491-S495 PolarHBondContact O-OG 3.48Å; N492-S495 PolarHBondContact O-N 3.35Å; N492-S495 VanDerWaalsContact O-N 3.16Å |
| 496 | G | 80.5 | Confident | 77.7 | Confident | 62 Ų | 62 | 76.4 Ų | 76.4 | 64% | 0.639 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.9 | 18.1 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | N492 L493 K494 | N492-G496 PolarHBondContact O-N 2.92Å; N492-G496 VanDerWaalsContact O-N 3.14Å; L493-G496 PolarHBondContact O-N 1.98Å; K494-G496 PolarHBondContact O-N 3.08Å |
| 497 | E | 80.6 | Confident | 74.8 | Confident | 110 Ų | 110 | 83.7 Ų | 83.7 | 51% | 0.514 | 44% | 0.437 | S | S | . | . | trans | -65.6 | 136.3 | 178 | -69.2 | -63.1 | 167.4 | 0 | 0 | 111.5 | N492 Q499 | N492-E497 HydrophobicContact CB-CB 4Å; N492-E497 HydrophobicContact CB-CG 4.2Å; N492-E497 WeakPolarHBondContact O-CB 3.34Å; N492-E497 PolarHBondContact O-N 2.75Å; E497-Q499 PolarHBondContact O-N 3.37Å | ||
| 498 | K | 75 | Confident | 72.1 | Confident | 172 Ų | 172 | 84 Ų | 84 | 75% | 0.748 | 45% | 0.447 | S | S | * | . | S | Bend | trans | -68.8 | -23.1 | 177.3 | -66.8 | -173 | 176.5 | -174.3 | 0 | 112.8 | Q457 | Q457-K498 PolarHBondContact NE2-O 2.88Š|
| 499 | Q | 84.1 | Confident | 69.4 | Low | 78 Ų | 78 | 88.5 Ų | 88.5 | 36% | 0.364 | 48% | 0.476 | S | S | . | . | trans | -118.2 | 120.5 | 179.2 | -177.1 | 162.4 | 11.5 | 0 | 0 | 110.5 | E497 V501 | E497-Q499 PolarHBondContact O-N 3.37Å; Q499-V501 WeakPolarHBondContact CG-O 3.49Å; Q499-V501 PolarHBondContact NE2-O 3.29Å | ||
| 500 | L | 85 | Confident | 66.4 | Low | 0 Ų | 0 | 95.4 Ų | 95.4 | 0% | 0 | 52% | 0.519 | C | S | . | . | S | Bend | trans | -73.4 | -39.6 | -176 | -62.5 | -174 | 0 | 0 | 0 | 112.2 | I453 A456 Q457 V460 L472 A489 N492 L493 | I453-L500 HydrophobicContact CG2-CB 4.4Å; A456-L500 HydrophobicContact CB-CD1 3.76Å; Q457-L500 HydrophobicContact CB-CD1 4.2Å; V460-L500 HydrophobicContact CG2-CD1 4.21Å; V460-L500 HydrophobicContact CG2-CD2 4.19Å; V460-L500 HydrophobicContact CG2-CG 4.39Å; L472-L500 HydrophobicContact CD1-CD1 4.42Å; A489-L500 WeakPolarHBondContact CA-O 3.47Å; A489-L500 HydrophobicContact CB-CB 4.05Å; N492-L500 PolarHBondContact ND2-O 2.99Å; L493-L500 HydrophobicContact CB-CD2 3.74Å; L493-L500 HydrophobicContact CD1-CD2 4.18Å; L493-L500 HydrophobicContact CG-CD2 4.45Å |
| 501 | V | 83.4 | Confident | 63.7 | Low | 25 Ų | 25 | 99.8 Ų | 99.8 | 15% | 0.152 | 56% | 0.557 | C | S | . | * | S | Bend | trans | -143.7 | 138.1 | 177.2 | -176.6 | 0 | 0 | 0 | 0 | 108 | I453 L485 A489 Q499 | I453-V501 HydrophobicContact CD1-CG2 4.24Å; I453-V501 HydrophobicContact CG2-CB 4.37Å; I453-V501 HydrophobicContact CG2-CG2 3.78Å; L485-V501 HydrophobicContact CD2-CG1 4.03Å; A489-V501 HydrophobicContact CB-CG2 4Å; Q499-V501 WeakPolarHBondContact CG-O 3.49Å; Q499-V501 PolarHBondContact NE2-O 3.29Å |
| 502 | P | 67.9 | Low | 60.8 | Low | 88 Ų | 88 | 97 Ų | 97 | 57% | 0.571 | 57% | 0.57 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 161.5 | 172.4 | 25.9 | -35.7 | 0 | 0 | 0 | 111.9 | M504 | P502-M504 PolarHBondContact O-N 3.19Š|
| 503 | P | 56.1 | Low | 57.9 | Low | 83 Ų | 83 | 101.4 Ų | 101.4 | 54% | 0.539 | 60% | 0.604 | S | S | . | * | P | Polyproline II helix | trans | -59 | 139.9 | 175.6 | -18.9 | 33.2 | 0 | 0 | 0 | 110.7 | E505 | P503-E505 PolarHBondContact O-N 3.03Š|
| 504 | M | 50.6 | Low | 54.8 | Low | 121 Ų | 121 | 104.1 Ų | 104.1 | 60% | 0.596 | 64% | 0.636 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 120.4 | 168.4 | -74.6 | -94.7 | -174.3 | 0 | 0 | 108.8 | L485 P502 D506 | L485-M504 HydrophobicContact CD1-CE 3.4Å; L485-M504 HydrophobicContact CD2-CE 4.18Å; L485-M504 HydrophobicContact CG-CE 4.41Å; P502-M504 PolarHBondContact O-N 3.19Å; M504-D506 PolarHBondContact O-N 3.47Å |
| 505 | E | 38.5 | Very low | 51.9 | Low | 198 Ų | 198 | 102.3 Ų | 102.3 | 93% | 0.925 | 64% | 0.643 | S | S | * | * | trans | -73 | 109.2 | 164.8 | -66 | -174.8 | 145.8 | 0 | 0 | 108.3 | P503 D507 | P503-E505 PolarHBondContact O-N 3.03Å; E505-D507 PolarHBondContact O-N 3.39Å | ||
| 506 | D | 40.7 | Very low | 49.9 | Very low | 89 Ų | 89 | 103.6 Ų | 103.6 | 48% | 0.476 | 65% | 0.65 | S | S | . | * | trans | -86.1 | 90.5 | -174.9 | -111.3 | -7 | 0 | 0 | 0 | 110.8 | R417 M504 | R417-D506 IonicContact CZ-OD1 3.9Å; R417-D506 IonicContact CZ-OD2 2.73Å; R417-D506 IonicContact NH1-OD1 2.91Å; R417-D506 PolarHBondContact NH1-OD1 3.47Å; R417-D506 IonicContact NH1-OD2 2.7Å; R417-D506 PolarHBondContact NH1-OD2 3.43Å; R417-D506 IonicContact NH2-OD1 3.17Å; R417-D506 PolarHBondContact NH2-OD1 3.21Å; R417-D506 IonicContact NH2-OD2 3.2Å; M504-D506 PolarHBondContact O-N 3.47Å | ||
| 507 | D | 29.2 | Very low | 47.3 | Very low | 153 Ų | 153 | 106.6 Ų | 106.6 | 82% | 0.818 | 66% | 0.661 | S | S | * | * | trans | -74.3 | 133.9 | 165.4 | -113.1 | -22.1 | 0 | 0 | 0 | 110.4 | E505 | E505-D507 PolarHBondContact O-N 3.39Š| ||
| 508 | P | 32.4 | Very low | 44.6 | Very low | 99 Ų | 99 | 105.1 Ų | 105.1 | 64% | 0.643 | 68% | 0.676 | S | S | * | * | trans | -76.2 | 145.3 | -176 | 30.6 | -34.6 | 0 | 0 | 0 | 112.6 | T510 | P508-T510 PolarHBondContact O-N 2.91Å; P508-T510 VanDerWaalsContact O-N 3.12Å | ||
| 509 | P | 33.8 | Very low | 42.1 | Very low | 134 Ų | 134 | 100.5 Ų | 100.5 | 87% | 0.87 | 68% | 0.676 | S | S | * | * | trans | -75.7 | 103.4 | -175.4 | 29.7 | -35.1 | 0 | 0 | 0 | 112.9 | ||||
| 510 | T | 28.4 | Very low | 39.4 | Very low | 146 Ų | 146 | 105.8 Ų | 105.8 | 90% | 0.896 | 70% | 0.698 | S | S | * | * | trans | -72.7 | 134.2 | 169.6 | -21.9 | 0 | 0 | 0 | 0 | 111.1 | P508 | P508-T510 PolarHBondContact O-N 2.91Å; P508-T510 VanDerWaalsContact O-N 3.12Å | ||
| 511 | A | 31.6 | Very low | 36.6 | Very low | 105 Ų | 105 | 113.6 Ų | 113.6 | 87% | 0.868 | 74% | 0.735 | S | S | * | * | trans | -110 | 135.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 512 | G | 29.9 | Very low | 33.8 | Very low | 74 Ų | 74 | 120.4 Ų | 120.4 | 76% | 0.763 | 76% | 0.762 | S | S | * | * | trans | 140.3 | 92.6 | 161.7 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 513 | S | 29.3 | Very low | 31.7 | Very low | 129 Ų | 129 | 122.1 Ų | 122.1 | 90% | 0.902 | 77% | 0.766 | S | S | * | * | trans | 38 | 111.8 | 138.2 | -178.8 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 514 | G | 24.3 | Very low | 30.2 | Very low | 77 Ų | 77 | 125.8 Ų | 125.8 | 79% | 0.794 | 78% | 0.776 | S | S | * | * | trans | -166.8 | 104.3 | 162.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 515 | S | 25.5 | Very low | 29.1 | Very low | 120 Ų | 120 | 127.5 Ų | 127.5 | 84% | 0.839 | 79% | 0.787 | S | S | * | * | trans | -128.7 | 161.5 | 166.1 | -74.9 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 516 | P | 41.4 | Very low | 29.3 | Very low | 113 Ų | 113 | 124 Ų | 124 | 73% | 0.734 | 78% | 0.781 | S | S | * | * | cis | -138.8 | -169.7 | 19.5 | 43.4 | -25.5 | 0 | 0 | 0 | 115.9 | ||||
| 517 | S | 24.7 | Very low | 28.7 | Very low | 125 Ų | 125 | 124.2 Ų | 124.2 | 87% | 0.874 | 80% | 0.795 | S | S | * | * | trans | 71.5 | 149.7 | 168.3 | 78.9 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 518 | G | 24 | Very low | 28.4 | Very low | 79 Ų | 79 | 128.7 Ų | 128.7 | 81% | 0.814 | 80% | 0.8 | S | S | * | * | cis | 166.4 | 144.6 | -12.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 519 | G | 24.2 | Very low | 28.1 | Very low | 74 Ų | 74 | 131.3 Ų | 131.3 | 76% | 0.763 | 81% | 0.808 | S | S | * | * | trans | 104 | 100.2 | 158.3 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 520 | K | 25.7 | Very low | 28.5 | Very low | 189 Ų | 189 | 129.8 Ų | 129.8 | 82% | 0.822 | 80% | 0.798 | S | S | * | * | 54.9 | 128.4 | 128.5 | -68.4 | 177.5 | 179.6 | 174.8 | 0 | 122.3 | |||||
| 521 | Q | 26.5 | Very low | 28.4 | Very low | 165 Ų | 165 | 129.2 Ų | 129.2 | 77% | 0.771 | 79% | 0.794 | S | S | * | * | trans | 72.1 | 155.6 | 141.6 | -65 | -179.9 | 20.3 | 0 | 0 | 117.9 | ||||
| 522 | K | 25.3 | Very low | 28 | Very low | 167 Ų | 167 | 128.5 Ų | 128.5 | 73% | 0.726 | 78% | 0.782 | S | S | * | * | cis | -156.9 | 159.8 | -12.7 | -128.4 | -168.4 | 174.1 | -173.6 | 0 | 111.2 | ||||
| 523 | L | 23.7 | Very low | 27.8 | Very low | 125 Ų | 125 | 133.3 Ų | 133.3 | 65% | 0.654 | 79% | 0.785 | S | S | * | * | trans | 33.4 | 125.1 | 151.9 | -96.4 | 77.3 | 0 | 0 | 0 | 123.4 | ||||
| 524 | Q | 25.6 | Very low | 27.6 | Very low | 159 Ų | 159 | 132.1 Ų | 132.1 | 74% | 0.743 | 78% | 0.777 | S | S | * | * | 41.1 | 121.8 | 124 | -74.3 | 171.2 | -49.6 | 0 | 0 | 122.8 | |||||
| 525 | L | 25.9 | Very low | 27.7 | Very low | 157 Ų | 157 | 134.6 Ų | 134.6 | 82% | 0.822 | 78% | 0.776 | S | S | * | * | 31.3 | 148 | 113.6 | -70.5 | 168.4 | 0 | 0 | 0 | 120.3 | |||||
| 526 | P | 44 | Very low | 27.6 | Very low | 125 Ų | 125 | 137.8 Ų | 137.8 | 81% | 0.812 | 78% | 0.778 | S | S | * | * | cis | -142.9 | -170.2 | 33.7 | 41.3 | -20.6 | 0 | 0 | 0 | 117.3 | ||||
| 527 | A | 27.1 | Very low | 27.1 | Very low | 93 Ų | 93 | 143.5 Ų | 143.5 | 77% | 0.769 | 78% | 0.784 | S | S | * | * | trans | -83 | 163.6 | -168.7 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 528 | R | 24 | Very low | 27.5 | Very low | 247 Ų | 247 | 143.3 Ų | 143.3 | 93% | 0.932 | 78% | 0.781 | S | S | * | * | trans | -159.7 | 162.1 | 132.9 | -118.4 | 175.9 | -178.5 | 173.4 | 0.2 | 114.9 | ||||
| 529 | I | 25.8 | Very low | 27.7 | Very low | 155 Ų | 155 | 149 Ų | 149 | 80% | 0.795 | 78% | 0.783 | S | S | * | * | trans | -109.2 | -175.9 | 176 | 5.3 | 172.9 | 0 | 0 | 0 | 108.1 | ||||
| 530 | P | 41.4 | Very low | 28.1 | Very low | 102 Ų | 102 | 151.1 Ų | 151.1 | 66% | 0.662 | 78% | 0.783 | S | S | * | * | cis | -142.9 | -168.7 | 4.5 | 29.8 | -2.8 | 0 | 0 | 0 | 116.8 | ||||
| 531 | V | 25.8 | Very low | 28.4 | Very low | 133 Ų | 133 | 147 Ų | 147 | 81% | 0.806 | 78% | 0.784 | S | S | * | * | trans | 61.4 | 156.7 | 159.1 | -96.4 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 532 | S | 24.5 | Very low | 28.4 | Very low | 90 Ų | 90 | 144.9 Ų | 144.9 | 63% | 0.629 | 79% | 0.788 | S | S | * | * | cis | -159.8 | 158.6 | 0.8 | 22.3 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 533 | Q | 25.9 | Very low | 28.5 | Very low | 176 Ų | 176 | 146.3 Ų | 146.3 | 82% | 0.822 | 79% | 0.794 | S | S | * | * | trans | 65.5 | 108.6 | 145.3 | -75 | 173.6 | -31.4 | 0 | 0 | 123.8 | ||||
| 534 | S | 24.3 | Very low | 28.6 | Very low | 104 Ų | 104 | 148.8 Ų | 148.8 | 73% | 0.727 | 80% | 0.802 | S | S | * | * | 44.8 | 133.4 | 127 | 62.4 | 0 | 0 | 0 | 0 | 124.2 | |||||
| 535 | V | 27 | Very low | 28.7 | Very low | 128 Ų | 128 | 147.6 Ų | 147.6 | 78% | 0.776 | 81% | 0.806 | S | S | * | * | 175.7 | 134 | 114 | 148.7 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 536 | E | 23.9 | Very low | 28.6 | Very low | 187 Ų | 187 | 146.6 Ų | 146.6 | 87% | 0.874 | 80% | 0.802 | S | S | * | * | trans | 51.9 | 164.4 | 154.6 | -67.6 | -168.6 | 115.6 | 0 | 0 | 127.5 | ||||
| 537 | R | 29.2 | Very low | 27.7 | Very low | 233 Ų | 233 | 147.9 Ų | 147.9 | 88% | 0.879 | 81% | 0.807 | S | S | * | * | trans | -72.5 | 179.5 | -171.6 | -83.4 | 174.3 | 167.4 | 179.2 | -2.4 | 115.5 | ||||
| 538 | P | 33.6 | Very low | 27.5 | Very low | 122 Ų | 122 | 150 Ų | 150 | 79% | 0.792 | 80% | 0.801 | S | S | * | * | cis | -134.2 | -173.5 | 5.4 | 28.9 | -4.1 | 0 | 0 | 0 | 117.4 | ||||
| 539 | K | 28.1 | Very low | 27.5 | Very low | 197 Ų | 197 | 148.7 Ų | 148.7 | 86% | 0.857 | 80% | 0.797 | S | S | * | * | trans | -47.7 | 160.2 | 164 | -86.3 | -176.7 | 178.3 | -175 | 0 | 114.3 | ||||
| 540 | P | 32.8 | Very low | 27.4 | Very low | 120 Ų | 120 | 148.4 Ų | 148.4 | 78% | 0.779 | 79% | 0.789 | S | S | * | * | cis | -149.8 | 166.2 | 43.8 | 43 | -23.1 | 0 | 0 | 0 | 121 | ||||
| 541 | A | 32 | Very low | 26.8 | Very low | 102 Ų | 102 | 149.3 Ų | 149.3 | 84% | 0.843 | 79% | 0.788 | S | S | * | * | trans | 44.1 | 114 | 145.7 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 542 | S | 25.7 | Very low | 26.8 | Very low | 121 Ų | 121 | 149 Ų | 149 | 85% | 0.846 | 79% | 0.788 | S | S | * | * | trans | -137 | 172.3 | 150.2 | 59.3 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 543 | K | 28.5 | Very low | 26.9 | Very low | 196 Ų | 196 | 149.1 Ų | 149.1 | 85% | 0.852 | 79% | 0.789 | S | S | * | * | trans | -94.4 | 136.8 | -175.9 | -60.4 | 169.9 | -178 | 173.7 | 0 | 110.5 | ||||
| 544 | E | 25.3 | Very low | 26.9 | Very low | 177 Ų | 177 | 149.1 Ų | 149.1 | 83% | 0.827 | 79% | 0.794 | S | S | * | * | trans | -81.4 | 139 | 165.9 | -72 | 167.5 | 167.8 | 0 | 0 | 110.2 | ||||
| 545 | T | 27.1 | Very low | 27 | Very low | 134 Ų | 134 | 151.9 Ų | 151.9 | 82% | 0.822 | 80% | 0.799 | S | S | * | * | trans | -140 | 81.2 | 169.4 | 51.7 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 546 | D | 24.8 | Very low | 26.9 | Very low | 137 Ų | 137 | 152 Ų | 152 | 73% | 0.733 | 80% | 0.801 | S | S | * | * | trans | -102.9 | 126.2 | 178.6 | -76.8 | -39.7 | 0 | 0 | 0 | 111.7 | ||||
| 547 | T | 25 | Very low | 26.9 | Very low | 151 Ų | 151 | 154.3 Ų | 154.3 | 93% | 0.926 | 80% | 0.801 | S | S | * | * | trans | -120.9 | 76.2 | 164.2 | 52.6 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 548 | E | 23.5 | Very low | 26.6 | Very low | 139 Ų | 139 | 151.2 Ų | 151.2 | 65% | 0.65 | 80% | 0.797 | S | S | * | * | trans | -94.5 | 136.7 | 178.7 | -166.2 | -164.1 | 177.6 | 0 | 0 | 110.7 | K550 | E548-K550 VanDerWaalsContact OE1-CE 3.3Å; E548-K550 WeakPolarHBondContact OE1-CE 3.49Å; E548-K550 IonicContact OE1-NZ 2.92Å; E548-K550 PolarHBondContact OE1-NZ 2.83Å; E548-K550 IonicContact OE2-NZ 2.61Å; E548-K550 PolarHBondContact OE2-NZ 2.91Å | ||
| 549 | W | 23.7 | Very low | 26.1 | Very low | 219 Ų | 219 | 152 Ų | 152 | 83% | 0.83 | 80% | 0.799 | S | S | * | * | trans | -96.2 | 113.6 | -175.8 | -147.7 | 69.8 | 0 | 0 | 0 | 110.7 | ||||
| 550 | K | 22.6 | Very low | 25.9 | Very low | 148 Ų | 148 | 147.2 Ų | 147.2 | 64% | 0.643 | 79% | 0.791 | S | S | * | * | trans | -125.6 | 131.3 | -179.7 | -78.9 | -173.3 | 165.2 | 114.9 | 0 | 112.8 | E548 | E548-K550 VanDerWaalsContact OE1-CE 3.3Å; E548-K550 WeakPolarHBondContact OE1-CE 3.49Å; E548-K550 IonicContact OE1-NZ 2.92Å; E548-K550 PolarHBondContact OE1-NZ 2.83Å; E548-K550 IonicContact OE2-NZ 2.61Å; E548-K550 PolarHBondContact OE2-NZ 2.91Å | ||
| 551 | I | 30 | Very low | 26.5 | Very low | 122 Ų | 122 | 147 Ų | 147 | 63% | 0.626 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -81.4 | 127 | 167.1 | -59.3 | 172.9 | 0 | 0 | 0 | 108.1 | S553 | I551-S553 PolarHBondContact O-N 3.27Š|
| 552 | P | 25.7 | Very low | 26.3 | Very low | 127 Ų | 127 | 150.6 Ų | 150.6 | 83% | 0.825 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 122.3 | -179.1 | -24.7 | 35.1 | 0 | 0 | 0 | 113.3 | ||
| 553 | S | 26.8 | Very low | 26.4 | Very low | 91 Ų | 91 | 150.1 Ų | 150.1 | 64% | 0.636 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -96.1 | 126.3 | 168.4 | 54.2 | 0 | 0 | 0 | 0 | 110.5 | I551 L555 | I551-S553 PolarHBondContact O-N 3.27Å; S553-L555 PolarHBondContact O-N 3.16Å; S553-L555 VanDerWaalsContact O-N 3.11Å |
| 554 | L | 26 | Very low | 26.4 | Very low | 176 Ų | 176 | 147.9 Ų | 147.9 | 92% | 0.921 | 77% | 0.767 | S | S | * | * | trans | -67.4 | 108.2 | 171.2 | -93.4 | 163.7 | 0 | 0 | 0 | 109.8 | T556 | L554-T556 PolarHBondContact O-N 3.13Š| ||
| 555 | L | 26.4 | Very low | 26.4 | Very low | 162 Ų | 162 | 150.7 Ų | 150.7 | 85% | 0.848 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 119.8 | 179.9 | -80.1 | 166.8 | 0 | 0 | 0 | 111.8 | S553 | S553-L555 PolarHBondContact O-N 3.16Å; S553-L555 VanDerWaalsContact O-N 3.11Å |
| 556 | T | 25 | Very low | 26.3 | Very low | 132 Ų | 132 | 150.9 Ų | 150.9 | 81% | 0.81 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -99 | 141 | 154.8 | -59.7 | 0 | 0 | 0 | 0 | 108.9 | L554 | L554-T556 PolarHBondContact O-N 3.13Š|
| 557 | R | 24.3 | Very low | 26.6 | Very low | 234 Ų | 234 | 150.6 Ų | 150.6 | 88% | 0.883 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 126 | -168.2 | -178.8 | 178.6 | -179.3 | 175.2 | 0.2 | 112.8 | ||
| 558 | Q | 22.4 | Very low | 27.2 | Very low | 168 Ų | 168 | 148.9 Ų | 148.9 | 79% | 0.785 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -74 | 152.1 | 168.3 | -76.1 | -174 | -18.7 | 0 | 0 | 112.4 | ||
| 559 | V | 23.4 | Very low | 27.6 | Very low | 139 Ų | 139 | 148.4 Ų | 148.4 | 84% | 0.842 | 78% | 0.775 | S | S | * | * | trans | -131.4 | 144.9 | 148 | 179 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 560 | S | 23.1 | Very low | 27.9 | Very low | 97 Ų | 97 | 143.3 Ų | 143.3 | 68% | 0.678 | 76% | 0.764 | S | S | * | * | trans | -127.6 | 178 | -169.9 | -118.3 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 561 | P | 46.1 | Very low | 28.5 | Very low | 115 Ų | 115 | 142 Ų | 142 | 75% | 0.747 | 77% | 0.77 | S | S | * | * | trans | -122.4 | -174.1 | -133.2 | 42.6 | -28.4 | 0 | 0 | 0 | 114.4 | ||||
| 562 | E | 26.2 | Very low | 28.4 | Very low | 178 Ų | 178 | 146 Ų | 146 | 83% | 0.832 | 78% | 0.778 | S | S | * | * | trans | 173.3 | 151.9 | 150.2 | -98.1 | -177.2 | -153.9 | 0 | 0 | 108.7 | ||||
| 563 | D | 29 | Very low | 28.8 | Very low | 111 Ų | 111 | 145.4 Ų | 145.4 | 59% | 0.594 | 77% | 0.774 | S | S | * | * | cis | -167.4 | 172 | -20.2 | -160.9 | 4 | 0 | 0 | 0 | 112.1 | ||||
| 564 | K | 27.6 | Very low | 29.3 | Very low | 148 Ų | 148 | 146.9 Ų | 146.9 | 64% | 0.643 | 78% | 0.778 | S | S | * | * | trans | 72.3 | 118.7 | 153.7 | -72 | 148.1 | -175.3 | 109.4 | 0 | 122.7 | ||||
| 565 | R | 25.6 | Very low | 29.5 | Very low | 236 Ų | 236 | 144.5 Ų | 144.5 | 89% | 0.891 | 77% | 0.774 | S | S | * | * | trans | 64.5 | 143.1 | 140.3 | -61.4 | -178.6 | 178.6 | -170.6 | -0.8 | 117.7 | ||||
| 566 | T | 26.2 | Very low | 29.6 | Very low | 139 Ų | 139 | 147.2 Ų | 147.2 | 85% | 0.853 | 77% | 0.773 | S | S | * | * | cis | -143.2 | -177.1 | 43.9 | -23.2 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 567 | T | 29.4 | Very low | 29.6 | Very low | 131 Ų | 131 | 149.5 Ų | 149.5 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -89.6 | 164.4 | -172 | 27.3 | 0 | 0 | 0 | 0 | 116.2 | ||
| 568 | P | 38.1 | Very low | 29.7 | Very low | 114 Ų | 114 | 143.9 Ų | 143.9 | 74% | 0.74 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -101.1 | 170.4 | -175.4 | 40.5 | -36.7 | 0 | 0 | 0 | 115.1 | ||
| 569 | P | 33.1 | Very low | 29.7 | Very low | 129 Ų | 129 | 144.7 Ų | 144.7 | 84% | 0.838 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -95.8 | 154 | 163.4 | 35.8 | -31.1 | 0 | 0 | 0 | 114.3 | ||
| 570 | D | 29.6 | Very low | 29.7 | Very low | 112 Ų | 112 | 142.3 Ų | 142.3 | 60% | 0.599 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -90.8 | 143 | -176.3 | -173.9 | 22.1 | 0 | 0 | 0 | 112.6 | R572 | D570-R572 IonicContact OD2-CZ 3.42Å; D570-R572 IonicContact OD2-NE 2.79Å; D570-R572 PolarHBondContact OD2-NE 2.75Å; D570-R572 IonicContact OD2-NH2 3.12Å; D570-R572 PolarHBondContact OD2-NH2 3.45Å; D570-R572 VanDerWaalsContact OD2-NH2 3.12Å |
| 571 | P | 33.9 | Very low | 29.9 | Very low | 120 Ų | 120 | 148.1 Ų | 148.1 | 78% | 0.779 | 77% | 0.772 | S | S | * | * | trans | -108 | 115.2 | 167.4 | 35 | -26.3 | 0 | 0 | 0 | 113.6 | ||||
| 572 | R | 28.4 | Very low | 29.2 | Very low | 207 Ų | 207 | 148.4 Ų | 148.4 | 78% | 0.781 | 77% | 0.774 | S | S | * | * | trans | -135.6 | 172 | 165.4 | -47.4 | -173 | -156.4 | -169.3 | 6 | 109.7 | D570 | D570-R572 IonicContact OD2-CZ 3.42Å; D570-R572 IonicContact OD2-NE 2.79Å; D570-R572 PolarHBondContact OD2-NE 2.75Å; D570-R572 IonicContact OD2-NH2 3.12Å; D570-R572 PolarHBondContact OD2-NH2 3.45Å; D570-R572 VanDerWaalsContact OD2-NH2 3.12Å | ||
| 573 | P | 35.1 | Very low | 29.2 | Very low | 114 Ų | 114 | 145 Ų | 145 | 74% | 0.74 | 77% | 0.765 | S | S | * | * | -126.2 | 177.7 | -68.2 | 38.6 | -24.6 | 0 | 0 | 0 | 112.4 | |||||
| 574 | V | 35.6 | Very low | 29.2 | Very low | 122 Ų | 122 | 145.6 Ų | 145.6 | 74% | 0.739 | 78% | 0.775 | S | S | * | * | trans | -10.4 | 147.4 | 170.3 | -116.4 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 575 | P | 31.4 | Very low | 29.1 | Very low | 127 Ų | 127 | 143.5 Ų | 143.5 | 83% | 0.825 | 78% | 0.779 | S | S | * | * | -128.4 | 153.8 | 101.3 | 37.1 | -32.5 | 0 | 0 | 0 | 114.9 | |||||
| 576 | R | 27.7 | Very low | 29.2 | Very low | 219 Ų | 219 | 139.8 Ų | 139.8 | 83% | 0.826 | 78% | 0.776 | S | S | * | * | trans | -87.7 | 153.7 | 162.6 | -66.2 | 176 | 174.6 | 171.7 | -3.2 | 109.2 | ||||
| 577 | L | 24.6 | Very low | 29.2 | Very low | 180 Ų | 180 | 141.8 Ų | 141.8 | 94% | 0.942 | 78% | 0.775 | S | S | * | * | trans | -128.9 | 151.3 | 148.4 | -152.9 | 72.8 | 0 | 0 | 0 | 108.8 | ||||
| 578 | V | 27 | Very low | 29.2 | Very low | 116 Ų | 116 | 143.1 Ų | 143.1 | 70% | 0.703 | 78% | 0.777 | S | S | * | * | trans | -143.1 | 128.4 | -172 | 172.8 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 579 | E | 23.6 | Very low | 28.8 | Very low | 185 Ų | 185 | 143.2 Ų | 143.2 | 86% | 0.864 | 78% | 0.778 | S | S | * | * | trans | -179.4 | 159.6 | 158 | -103.9 | 164.9 | -165.2 | 0 | 0 | 109.3 | ||||
| 580 | S | 22.9 | Very low | 28.4 | Very low | 89 Ų | 89 | 141.5 Ų | 141.5 | 62% | 0.622 | 77% | 0.769 | S | S | * | * | -166.4 | 115.2 | -56.9 | 51.5 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 581 | Y | 26.8 | Very low | 28.4 | Very low | 219 Ų | 219 | 145.2 Ų | 145.2 | 86% | 0.859 | 78% | 0.779 | S | S | * | * | trans | 61.8 | 175 | 158.6 | -69.8 | -64.8 | 0 | 0 | 0 | 116.9 | ||||
| 582 | P | 31.4 | Very low | 27.9 | Very low | 120 Ų | 120 | 147.9 Ų | 147.9 | 78% | 0.779 | 79% | 0.786 | S | S | * | * | cis | -125.2 | 168.5 | 3.8 | 42.3 | -28.1 | 0 | 0 | 0 | 117.4 | ||||
| 583 | T | 26.8 | Very low | 27.8 | Very low | 106 Ų | 106 | 144.4 Ų | 144.4 | 65% | 0.65 | 78% | 0.783 | S | S | * | * | trans | -88.5 | 148.1 | 170.9 | -35.4 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 584 | P | 28.4 | Very low | 28.1 | Very low | 124 Ų | 124 | 143.7 Ų | 143.7 | 81% | 0.805 | 78% | 0.778 | S | S | * | * | trans | -108.1 | 139.9 | 152.9 | 34.7 | -27.2 | 0 | 0 | 0 | 112 | ||||
| 585 | S | 25.7 | Very low | 27.7 | Very low | 104 Ų | 104 | 146.2 Ų | 146.2 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | trans | -129.5 | 112.4 | -171.1 | -57.1 | 0 | 0 | 0 | 0 | 113 | ||||
| 586 | I | 28.1 | Very low | 27.4 | Very low | 159 Ų | 159 | 144.6 Ų | 144.6 | 82% | 0.815 | 78% | 0.779 | S | S | * | * | trans | -150 | 138.6 | 171.7 | -61 | -175.9 | 0 | 0 | 0 | 108.4 | ||||
| 587 | Q | 25 | Very low | 27.3 | Very low | 180 Ų | 180 | 137.3 Ų | 137.3 | 84% | 0.841 | 77% | 0.766 | S | S | * | * | cis | -158.4 | 161.3 | -26.5 | -112.3 | 176.4 | 6.5 | 0 | 0 | 107.4 | ||||
| 588 | L | 30.9 | Very low | 27.3 | Very low | 159 Ų | 159 | 138.9 Ų | 138.9 | 83% | 0.832 | 76% | 0.761 | S | S | * | * | trans | -119 | 126.2 | 172.9 | -177.1 | 80.5 | 0 | 0 | 0 | 110.6 | ||||
| 589 | P | 28.2 | Very low | 27.3 | Very low | 117 Ų | 117 | 141.4 Ų | 141.4 | 76% | 0.76 | 77% | 0.765 | S | S | * | * | trans | -98.9 | 154.4 | 161.4 | 35.3 | -29.2 | 0 | 0 | 0 | 111.6 | ||||
| 590 | S | 24.7 | Very low | 27.7 | Very low | 93 Ų | 93 | 139 Ų | 139 | 65% | 0.65 | 76% | 0.764 | S | S | * | * | trans | -154 | 160 | 178.9 | 70.8 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 591 | K | 30.1 | Very low | 28.2 | Very low | 190 Ų | 190 | 140.8 Ų | 140.8 | 83% | 0.826 | 77% | 0.773 | S | S | * | * | trans | 70.6 | 128.7 | 168.5 | -58.7 | 176.4 | 179.9 | 176.6 | 0 | 118 | ||||
| 592 | L | 24 | Very low | 28.3 | Very low | 176 Ų | 176 | 138.5 Ų | 138.5 | 92% | 0.921 | 78% | 0.776 | S | S | * | * | -154 | 169.6 | 98 | -104.2 | 164.2 | 0 | 0 | 0 | 111.4 | |||||
| 593 | N | 25.4 | Very low | 28 | Very low | 134 Ų | 134 | 136 Ų | 136 | 72% | 0.717 | 77% | 0.771 | S | S | * | * | trans | -135.1 | 165.6 | -169.6 | -162.4 | 11.7 | 0 | 0 | 0 | 107.6 | ||||
| 594 | P | 42 | Very low | 28 | Very low | 98 Ų | 98 | 141.9 Ų | 141.9 | 64% | 0.636 | 78% | 0.783 | S | S | * | * | -157.6 | 147 | 85.3 | 38.8 | -18.3 | 0 | 0 | 0 | 118.7 | |||||
| 595 | Q | 26 | Very low | 27.9 | Very low | 176 Ų | 176 | 147 Ų | 147 | 82% | 0.822 | 79% | 0.786 | S | S | * | * | trans | 63.5 | 157.9 | 138.7 | -70.7 | 171.2 | -29.2 | 0 | 0 | 119.1 | ||||
| 596 | A | 26.9 | Very low | 28 | Very low | 92 Ų | 92 | 148.3 Ų | 148.3 | 76% | 0.76 | 79% | 0.785 | S | S | * | * | cis | -169 | 174.1 | -6.8 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 597 | A | 25.1 | Very low | 28.6 | Very low | 67 Ų | 67 | 147 Ų | 147 | 55% | 0.554 | 79% | 0.787 | S | S | * | * | cis | -175 | 161.5 | -31 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 598 | Y | 25.1 | Very low | 28.8 | Very low | 212 Ų | 212 | 146.2 Ų | 146.2 | 83% | 0.831 | 78% | 0.783 | S | S | * | * | trans | 64.2 | 167.9 | 175.9 | -47.3 | -77.7 | 0 | 0 | 0 | 115.4 | ||||
| 599 | Q | 25.7 | Very low | 29.4 | Very low | 169 Ų | 169 | 143.8 Ų | 143.8 | 79% | 0.79 | 78% | 0.777 | S | S | * | * | cis | -159 | 174.3 | -37.5 | -108.4 | 175.5 | -5.9 | 0 | 0 | 107.6 | ||||
| 600 | T | 32.8 | Very low | 29.3 | Very low | 136 Ų | 136 | 143.4 Ų | 143.4 | 83% | 0.834 | 78% | 0.777 | S | S | * | * | trans | -73.3 | 157.7 | 172.1 | 46.4 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 601 | P | 32.9 | Very low | 29.4 | Very low | 126 Ų | 126 | 143.2 Ų | 143.2 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | trans | -135.5 | 149.6 | 143.7 | 36.4 | -24.3 | 0 | 0 | 0 | 114.9 | ||||
| 602 | N | 28.3 | Very low | 29.4 | Very low | 171 Ų | 171 | 143.4 Ų | 143.4 | 91% | 0.914 | 78% | 0.777 | S | S | * | * | trans | -83.9 | 154 | 159.9 | -91.1 | -36.4 | 0 | 0 | 0 | 110.1 | ||||
| 603 | G | 26.6 | Very low | 29.5 | Very low | 67 Ų | 67 | 142.3 Ų | 142.3 | 69% | 0.691 | 77% | 0.771 | S | S | * | * | trans | -86.1 | -179.4 | -169.9 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 604 | Y | 27.2 | Very low | 29.5 | Very low | 230 Ų | 230 | 141.8 Ų | 141.8 | 90% | 0.902 | 77% | 0.772 | S | S | * | * | trans | -164.7 | 150.3 | 164.8 | -111.2 | -65.8 | 0 | 0 | 0 | 113.6 | ||||
| 605 | R | 25.7 | Very low | 29.6 | Very low | 231 Ų | 231 | 142.5 Ų | 142.5 | 87% | 0.872 | 78% | 0.777 | S | S | * | * | trans | 72.4 | 136.2 | 155.7 | -71.1 | -173.1 | 175.9 | -177.6 | -1.3 | 122.5 | ||||
| 606 | N | 28 | Very low | 29.6 | Very low | 131 Ų | 131 | 140.1 Ų | 140.1 | 70% | 0.701 | 77% | 0.774 | S | S | * | * | trans | -74.4 | 174.7 | 162.1 | -62.7 | -11.1 | 0 | 0 | 0 | 112 | ||||
| 607 | P | 39.6 | Very low | 29.7 | Very low | 132 Ų | 132 | 141.6 Ų | 141.6 | 86% | 0.857 | 77% | 0.773 | S | S | * | * | -125 | 165.6 | 113 | 36.7 | -32.9 | 0 | 0 | 0 | 115.2 | |||||
| 608 | H | 29.9 | Very low | 29.8 | Very low | 164 Ų | 164 | 146.9 Ų | 146.9 | 76% | 0.759 | 78% | 0.784 | S | S | * | * | trans | -117.1 | 165.3 | 178.7 | -107 | -43.6 | 0 | 0 | 0 | 108.4 | ||||
| 609 | P | 42.9 | Very low | 29.9 | Very low | 107 Ų | 107 | 147.9 Ų | 147.9 | 70% | 0.695 | 79% | 0.786 | S | S | * | * | -156.8 | -179.9 | 69.2 | 41.3 | -19.3 | 0 | 0 | 0 | 119 | |||||
| 610 | S | 27.2 | Very low | 29.9 | Very low | 109 Ų | 109 | 143 Ų | 143 | 76% | 0.762 | 78% | 0.78 | S | S | * | * | trans | 66.9 | 141.3 | 159.9 | 39.1 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 611 | S | 26.6 | Very low | 30.2 | Very low | 90 Ų | 90 | 142.9 Ų | 142.9 | 63% | 0.629 | 78% | 0.782 | S | S | * | * | cis | -172 | 142.2 | -8.9 | 48.3 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 612 | F | 29 | Very low | 29.9 | Very low | 194 Ų | 194 | 145.9 Ų | 145.9 | 85% | 0.851 | 79% | 0.785 | S | S | * | * | trans | 61.8 | 151.3 | 154.2 | -62.7 | -51.1 | 0 | 0 | 0 | 119.3 | ||||
| 613 | I | 26.9 | Very low | 30 | Very low | 153 Ų | 153 | 142 Ų | 142 | 79% | 0.785 | 78% | 0.778 | S | S | * | * | cis | -148.1 | 161.5 | 3.6 | -122.5 | 157 | 0 | 0 | 0 | 110.8 | ||||
| 614 | T | 26.1 | Very low | 30 | Very low | 123 Ų | 123 | 143.9 Ų | 143.9 | 76% | 0.755 | 78% | 0.78 | S | S | * | * | trans | -116.7 | 159.9 | 179.2 | -5.6 | 0 | 0 | 0 | 0 | 112 | ||||
| 615 | P | 43 | Very low | 30.1 | Very low | 113 Ų | 113 | 138.5 Ų | 138.5 | 73% | 0.734 | 78% | 0.776 | S | S | * | * | -154 | 142.4 | 99.1 | 37.8 | -17.6 | 0 | 0 | 0 | 117.2 | |||||
| 616 | V | 26.8 | Very low | 30.2 | Very low | 125 Ų | 125 | 132.8 Ų | 132.8 | 76% | 0.758 | 77% | 0.771 | S | S | * | * | 63.3 | 103 | 98.5 | -175.9 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 617 | V | 28 | Very low | 30.2 | Very low | 123 Ų | 123 | 130.8 Ų | 130.8 | 75% | 0.745 | 77% | 0.773 | S | S | * | * | 82.9 | 115.1 | 68.4 | 164.2 | 0 | 0 | 0 | 0 | 116.4 | |||||
| 618 | K | 28 | Very low | 29.5 | Very low | 179 Ų | 179 | 129.4 Ų | 129.4 | 78% | 0.778 | 77% | 0.773 | S | S | * | * | 170.9 | 141.9 | 121.6 | -109.9 | 150 | -175.3 | 171.8 | 0 | 117.2 | |||||
| 619 | R | 26.7 | Very low | 29.5 | Very low | 233 Ų | 233 | 126.1 Ų | 126.1 | 88% | 0.879 | 77% | 0.774 | S | S | * | * | trans | 54.5 | 142.3 | 144.6 | -76.8 | 177.5 | 177 | 177.1 | -3.1 | 122.7 | ||||
| 620 | G | 26.6 | Very low | 29.6 | Very low | 65 Ų | 65 | 125.7 Ų | 125.7 | 67% | 0.67 | 77% | 0.771 | S | S | * | * | trans | -88.6 | -168.2 | 154.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 621 | P | 39.5 | Very low | 29.6 | Very low | 134 Ų | 134 | 128.8 Ų | 128.8 | 87% | 0.87 | 77% | 0.773 | S | S | * | * | -144.7 | -144.5 | 84.6 | 42.4 | -25.2 | 0 | 0 | 0 | 114.8 | |||||
| 622 | E | 26.6 | Very low | 29.5 | Very low | 189 Ų | 189 | 135.1 Ų | 135.1 | 88% | 0.883 | 78% | 0.783 | S | S | * | * | trans | -98.3 | 166.7 | -159.9 | -51.4 | 160.1 | 133.6 | 0 | 0 | 114.7 | ||||
| 623 | A | 29 | Very low | 29.3 | Very low | 91 Ų | 91 | 134 Ų | 134 | 75% | 0.752 | 79% | 0.786 | S | S | * | * | 162 | 116.5 | 124.2 | 0 | 0 | 0 | 0 | 0 | 116.7 | |||||
| 624 | S | 27.7 | Very low | 29.1 | Very low | 106 Ų | 106 | 129.8 Ų | 129.8 | 74% | 0.741 | 78% | 0.78 | S | S | * | * | trans | 33.2 | 146.4 | 138.5 | 62.4 | 0 | 0 | 0 | 0 | 126.5 | ||||
| 625 | S | 27.7 | Very low | 29 | Very low | 117 Ų | 117 | 128.1 Ų | 128.1 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | trans | 83.1 | 164 | 145.3 | 79.5 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 626 | S | 28.3 | Very low | 28.2 | Very low | 110 Ų | 110 | 128.7 Ų | 128.7 | 77% | 0.769 | 78% | 0.781 | S | S | * | * | cis | -167.6 | 145.5 | -45.8 | -167 | 0 | 0 | 0 | 0 | 112 | ||||
| 627 | A | 28.1 | Very low | 28.1 | Very low | 89 Ų | 89 | 130.9 Ų | 130.9 | 74% | 0.736 | 78% | 0.782 | S | S | * | * | trans | 61.3 | 142.3 | 150.2 | 0 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 628 | A | 26 | Very low | 27.9 | Very low | 104 Ų | 104 | 134.6 Ų | 134.6 | 86% | 0.86 | 79% | 0.792 | S | S | * | * | trans | 85.8 | 133.9 | 141.6 | 0 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 629 | A | 30 | Very low | 27.7 | Very low | 94 Ų | 94 | 130.4 Ų | 130.4 | 78% | 0.777 | 79% | 0.79 | S | S | * | * | trans | -101.8 | -160.9 | 156.9 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 630 | P | 43.6 | Very low | 27.5 | Very low | 98 Ų | 98 | 125.2 Ų | 125.2 | 64% | 0.636 | 79% | 0.788 | S | S | * | * | cis | -151.3 | -177.9 | 33.1 | 45.8 | -24.5 | 0 | 0 | 0 | 118.5 | ||||
| 631 | H | 27.8 | Very low | 27.4 | Very low | 175 Ų | 175 | 127.7 Ų | 127.7 | 81% | 0.81 | 79% | 0.79 | S | S | * | * | trans | 64.2 | 168.8 | 152.3 | -60.7 | -35.5 | 0 | 0 | 0 | 120.9 | ||||
| 632 | R | 25.6 | Very low | 27.2 | Very low | 222 Ų | 222 | 127.2 Ų | 127.2 | 84% | 0.838 | 79% | 0.787 | S | S | * | * | cis | 177.3 | 132.7 | -46.4 | -175 | -173.6 | -159 | -172.7 | 6 | 107.5 | ||||
| 633 | D | 24.2 | Very low | 27 | Very low | 170 Ų | 170 | 124.6 Ų | 124.6 | 91% | 0.909 | 78% | 0.779 | S | S | * | * | trans | -165.5 | 167.3 | 146.9 | -113.5 | -29.9 | 0 | 0 | 0 | 114.7 | ||||
| 634 | G | 22.7 | Very low | 26.8 | Very low | 65 Ų | 65 | 126.2 Ų | 126.2 | 67% | 0.67 | 79% | 0.785 | S | S | * | * | trans | -106.9 | -168.6 | 174 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 635 | A | 24.1 | Very low | 26.8 | Very low | 89 Ų | 89 | 129.3 Ų | 129.3 | 74% | 0.736 | 79% | 0.787 | S | S | * | * | cis | -167.9 | 171.6 | 17.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 636 | V | 25.8 | Very low | 26.7 | Very low | 125 Ų | 125 | 130.9 Ų | 130.9 | 76% | 0.758 | 79% | 0.792 | S | S | * | * | trans | 65 | 136.2 | 138.6 | 161.2 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 637 | Q | 25.5 | Very low | 26.6 | Very low | 170 Ų | 170 | 130.4 Ų | 130.4 | 79% | 0.794 | 80% | 0.795 | S | S | * | * | cis | -164.1 | 154.4 | -1.7 | -122.6 | 173.1 | -0.8 | 0 | 0 | 111.6 | ||||
| 638 | Q | 23.5 | Very low | 26.6 | Very low | 202 Ų | 202 | 129.1 Ų | 129.1 | 94% | 0.944 | 79% | 0.79 | S | S | * | * | trans | -159.7 | 161.6 | 137.4 | -117.1 | 178.7 | 6.9 | 0 | 0 | 110.8 | ||||
| 639 | A | 23.7 | Very low | 26.6 | Very low | 90 Ų | 90 | 134.5 Ų | 134.5 | 74% | 0.744 | 79% | 0.794 | S | S | * | * | trans | -140.7 | 173 | -168.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 640 | C | 22.1 | Very low | 26.5 | Very low | 124 Ų | 124 | 138.7 Ų | 138.7 | 84% | 0.838 | 80% | 0.798 | S | S | * | * | cis | -155.3 | -176.1 | 27.7 | -138.6 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 641 | T | 23.9 | Very low | 25.9 | Very low | 117 Ų | 117 | 140 Ų | 140 | 72% | 0.718 | 80% | 0.804 | S | S | * | * | trans | -82.3 | -178.8 | -169.2 | 19.4 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 642 | P | 34.9 | Very low | 26.1 | Very low | 124 Ų | 124 | 137.6 Ų | 137.6 | 81% | 0.805 | 80% | 0.804 | S | S | * | * | cis | -144.3 | -171 | 28.3 | 43.8 | -21.2 | 0 | 0 | 0 | 120.4 | ||||
| 643 | L | 23.2 | Very low | 26.1 | Very low | 135 Ų | 135 | 136.1 Ų | 136.1 | 71% | 0.707 | 81% | 0.806 | S | S | * | * | trans | -64.4 | 159 | -165.9 | -69 | 64.2 | 0 | 0 | 0 | 118.4 | ||||
| 644 | S | 25.1 | Very low | 26.5 | Very low | 125 Ų | 125 | 133.8 Ų | 133.8 | 87% | 0.874 | 80% | 0.798 | S | S | * | * | -165.9 | 148 | 117.7 | -81.2 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 645 | H | 27.5 | Very low | 26.6 | Very low | 170 Ų | 170 | 135.3 Ų | 135.3 | 79% | 0.787 | 80% | 0.798 | S | S | * | * | trans | -114.5 | 158.3 | -176.7 | -75.3 | -98.8 | 0 | 0 | 0 | 113.3 | ||||
| 646 | T | 24.9 | Very low | 27.1 | Very low | 151 Ų | 151 | 139.3 Ų | 139.3 | 93% | 0.926 | 80% | 0.799 | S | S | * | * | trans | -151.8 | 146 | 149.8 | -7 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 647 | A | 26.9 | Very low | 27.4 | Very low | 100 Ų | 100 | 137.5 Ų | 137.5 | 83% | 0.826 | 79% | 0.792 | S | S | * | * | trans | -95.6 | 147.1 | -163.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 648 | G | 26.8 | Very low | 27.9 | Very low | 61 Ų | 61 | 135.1 Ų | 135.1 | 63% | 0.629 | 79% | 0.794 | S | S | * | * | trans | -95.2 | 147.2 | 167 | 0 | 0 | 0 | 0 | 0 | 111.9 | H650 | G648-H650 PolarHBondContact O-N 2.96Š| ||
| 649 | F | 26.4 | Very low | 28.9 | Very low | 218 Ų | 218 | 129.5 Ų | 129.5 | 96% | 0.956 | 77% | 0.77 | S | S | * | * | trans | -73.3 | 115 | 176.7 | -78.4 | -98.1 | 0 | 0 | 0 | 111.2 | ||||
| 650 | H | 28.9 | Very low | 30 | Very low | 182 Ų | 182 | 127.7 Ų | 127.7 | 84% | 0.843 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -91 | 128.2 | 163.4 | -75.5 | -93.1 | 0 | 0 | 0 | 109.9 | G648 | G648-H650 PolarHBondContact O-N 2.96Š|
| 651 | T | 29.9 | Very low | 31.8 | Very low | 126 Ų | 126 | 129.9 Ų | 129.9 | 77% | 0.773 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 140.1 | 165 | 38.3 | 0 | 0 | 0 | 0 | 110.3 | Q653 | T651-Q653 PolarHBondContact O-N 2.84Š|
| 652 | P | 31.8 | Very low | 34.7 | Very low | 124 Ų | 124 | 130 Ų | 130 | 81% | 0.805 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 123.1 | 176.8 | -20.1 | 31.7 | 0 | 0 | 0 | 110.9 | ||
| 653 | Q | 27.2 | Very low | 37.2 | Very low | 190 Ų | 190 | 126.5 Ų | 126.5 | 89% | 0.888 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -76.9 | 122.8 | 162.2 | -74.9 | -150.7 | -12 | 0 | 0 | 108.8 | T651 S655 | T651-Q653 PolarHBondContact O-N 2.84Å; Q653-S655 PolarHBondContact O-N 3.23Å |
| 654 | V | 30.9 | Very low | 40.6 | Very low | 122 Ų | 122 | 120.5 Ų | 120.5 | 74% | 0.739 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 118.8 | 170.1 | -179 | 0 | 0 | 0 | 0 | 107.9 | F656 | V654-F656 PolarHBondContact O-N 2.94Š|
| 655 | S | 25.8 | Very low | 43.8 | Very low | 96 Ų | 96 | 118 Ų | 118 | 67% | 0.671 | 67% | 0.674 | S | S | * | * | trans | -67.2 | 114.3 | 177 | 50.6 | 0 | 0 | 0 | 0 | 110.7 | Q653 S657 | Q653-S655 PolarHBondContact O-N 3.23Å; S655-S657 VanDerWaalsContact C-N 3.27Å; S655-S657 PolarHBondContact O-N 3.35Å | ||
| 656 | F | 34.3 | Very low | 47 | Very low | 173 Ų | 173 | 109.9 Ų | 109.9 | 76% | 0.759 | 64% | 0.637 | S | S | * | * | trans | -74.2 | 75.9 | 174.4 | -85.9 | -87.9 | 0 | 0 | 0 | 111.5 | V654 I659 | V654-F656 PolarHBondContact O-N 2.94Å; F656-I659 HydrophobicContact CD1-CD1 4Å; F656-I659 HydrophobicContact CD1-CG1 4.32Å; F656-I659 HydrophobicContact CE1-CD1 4.31Å | ||
| 657 | S | 32.4 | Very low | 50.2 | Low | 88 Ų | 88 | 108.1 Ų | 108.1 | 62% | 0.615 | 62% | 0.616 | S | S | * | * | trans | -96.8 | 133.6 | 165.7 | 50.8 | 0 | 0 | 0 | 0 | 110.4 | S655 | S655-S657 VanDerWaalsContact C-N 3.27Å; S655-S657 PolarHBondContact O-N 3.35Å | ||
| 658 | S | 36.6 | Very low | 53.2 | Low | 119 Ų | 119 | 106.7 Ų | 106.7 | 83% | 0.832 | 61% | 0.611 | S | S | * | * | trans | 49.9 | 75.8 | 175.4 | 57.2 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 659 | I | 43.1 | Very low | 56.3 | Low | 84 Ų | 84 | 108.8 Ų | 108.8 | 43% | 0.431 | 60% | 0.603 | S | S | . | * | trans | -73.2 | 134.3 | 147.3 | -59.8 | 171.7 | 0 | 0 | 0 | 106.5 | F656 | F656-I659 HydrophobicContact CD1-CD1 4Å; F656-I659 HydrophobicContact CD1-CG1 4.32Å; F656-I659 HydrophobicContact CE1-CD1 4.31Å | ||
| 660 | S | 47.7 | Very low | 59.6 | Low | 52 Ų | 52 | 102.9 Ų | 102.9 | 36% | 0.364 | 58% | 0.578 | S | S | . | * | trans | -70.2 | 143.8 | 173.1 | 60.3 | 0 | 0 | 0 | 0 | 110.3 | E662 | S660-E662 PolarHBondContact O-N 2.83Š| ||
| 661 | N | 60.2 | Low | 62.8 | Low | 171 Ų | 171 | 94.6 Ų | 94.6 | 91% | 0.914 | 54% | 0.54 | S | S | * | . | S | Bend | trans | -72.1 | 18.3 | 176.8 | -76.5 | -25.1 | 0 | 0 | 0 | 113.3 | ||
| 662 | E | 83.3 | Confident | 65.9 | Low | 120 Ų | 120 | 91.7 Ų | 91.7 | 56% | 0.561 | 52% | 0.516 | S | S | * | . | trans | -84.4 | 132.5 | -178.4 | -59.8 | -176.4 | 142.1 | 0 | 0 | 110.5 | S660 I673 | S660-E662 PolarHBondContact O-N 2.83Å; E662-I673 HydrophobicContact CB-CD1 3.89Å; E662-I673 PolarHBondContact O-N 3.26Å; E662-I673 VanDerWaalsContact O-N 3.08Å | ||
| 663 | S | 89.3 | Confident | 68.9 | Low | 49 Ų | 49 | 86.6 Ų | 86.6 | 34% | 0.343 | 48% | 0.482 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 145.6 | 179.5 | 55.9 | 0 | 0 | 0 | 0 | 111.5 | Q670 F671 | S663-Q670 PolarHBondContact OG-NE2 3.49Å; S663-F671 CarbonylContact C-O 3.49Å; S663-F671 WeakPolarHBondContact CA-O 3.2Å; S663-F671 VanDerWaalsContact CB-O 3.22Å; S663-F671 WeakPolarHBondContact CB-O 3.3Å |
| 664 | I | 93.2 | Very high | 71.9 | Confident | 9 Ų | 9 | 80.6 Ų | 80.6 | 5% | 0.046 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 134.3 | 175.1 | -54.7 | 176.9 | 0 | 0 | 0 | 107.4 | I666 F671 I673 Y686 V688 V698 Y745 | I664-I666 HydrophobicContact CG2-CD1 4.36Å; I664-I666 HydrophobicContact CG2-CG1 3.95Å; I664-F671 PolarHBondContact N-O 3.22Å; I664-F671 PolarHBondContact O-N 3.46Å; I664-I673 HydrophobicContact CD1-CD1 4.08Å; I664-I673 HydrophobicContact CD1-CG1 4.05Å; I664-I673 HydrophobicContact CG1-CD1 3.8Å; I664-I673 HydrophobicContact CG1-CG1 3.95Å; I664-Y686 HydrophobicContact CD1-CD2 3.98Å; I664-Y686 HydrophobicContact CD1-CG 4.19Å; I664-V688 HydrophobicContact CD1-CG1 4.42Å; I664-V698 HydrophobicContact CD1-CB 4.19Å; I664-V698 HydrophobicContact CD1-CG1 3.79Å; I664-V698 HydrophobicContact CG2-CG1 4.4Å; I664-Y745 HydrophobicContact CD1-CE1 4.21Å; I664-Y745 HydrophobicContact CG2-CD1 3.87Å; I664-Y745 HydrophobicContact CG2-CD2 4.32Å; I664-Y745 HydrophobicContact CG2-CE1 3.48Å; I664-Y745 VanDerWaalsContact CG2-CE1 3.48Å; I664-Y745 HydrophobicContact CG2-CE2 4Å; I664-Y745 HydrophobicContact CG2-CG 4.27Å |
| 665 | T | 93.6 | Very high | 74.7 | Confident | 73 Ų | 73 | 80.6 Ų | 80.6 | 45% | 0.448 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 129.5 | 171.5 | -59.9 | 0 | 0 | 0 | 0 | 109.1 | K669 | T665-K669 CarbonylContact C-O 3.55Å; T665-K669 WeakPolarHBondContact CA-O 3.37Å |
| 666 | I | 94.1 | Very high | 77.8 | Confident | 0 Ų | 0 | 79.9 Ų | 79.9 | 0% | 0 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 117.9 | 176.8 | -51.3 | 175.3 | 0 | 0 | 0 | 107.3 | I664 G668 K669 F671 V698 E738 Y745 L747 | I664-I666 HydrophobicContact CG2-CD1 4.36Å; I664-I666 HydrophobicContact CG2-CG1 3.95Å; I666-G668 PolarHBondContact O-N 2.85Å; I666-K669 PolarHBondContact N-O 3.2Å; I666-K669 WeakPolarHBondContact O-CB 3.2Å; I666-K669 PolarHBondContact O-N 3.47Å; I666-F671 HydrophobicContact CB-CE2 4.16Å; I666-F671 HydrophobicContact CD1-CD2 4.28Å; I666-F671 HydrophobicContact CD1-CE2 4.28Å; I666-F671 HydrophobicContact CG1-CD2 4.33Å; I666-F671 HydrophobicContact CG1-CE2 4.35Å; I666-V698 HydrophobicContact CD1-CG1 4Å; I666-V698 HydrophobicContact CD1-CG2 3.85Å; I666-E738 HydrophobicContact CG2-CB 3.93Å; I666-Y745 HydrophobicContact CD1-CG 4.4Å; I666-Y745 HydrophobicContact CG1-CD2 4.44Å; I666-Y745 HydrophobicContact CG1-CG 4.23Å; I666-L747 HydrophobicContact CD1-CB 4.09Å; I666-L747 HydrophobicContact CD1-CD1 4.47Å |
| 667 | K | 91.7 | Very high | 80.3 | Confident | 114 Ų | 114 | 75.5 Ų | 75.5 | 50% | 0.496 | 42% | 0.417 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 46.1 | 43.7 | -173.6 | -64.6 | -175.9 | -175.1 | 147.7 | 0 | 113.4 | K669 D736 Y737 E738 | K667-K669 PolarHBondContact O-N 2.8Å; K667-D736 WeakPolarHBondContact CD-OD1 3.21Å; K667-D736 WeakPolarHBondContact CE-OD1 3.12Å; K667-D736 IonicContact NZ-OD1 2.71Å; K667-D736 PolarHBondContact NZ-OD1 3.23Å; K667-Y737 WeakPolarHBondContact CE-O 3.46Å; K667-Y737 PolarHBondContact NZ-O 3.46Å; K667-E738 PolarHBondContact N-OE2 3.29Å |
| 668 | G | 89.5 | Confident | 82.4 | Confident | 70 Ų | 70 | 72.7 Ų | 72.7 | 72% | 0.722 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.5 | -1.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | I666 | I666-G668 PolarHBondContact O-N 2.85Š|
| 669 | K | 93.3 | Very high | 84.3 | Confident | 105 Ų | 105 | 71.8 Ų | 71.8 | 46% | 0.457 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 126.6 | 173.1 | -56.3 | 164.6 | -172.5 | 166.9 | 0 | 109.1 | T665 I666 K667 F671 D736 | T665-K669 CarbonylContact C-O 3.55Å; T665-K669 WeakPolarHBondContact CA-O 3.37Å; I666-K669 PolarHBondContact N-O 3.2Å; I666-K669 WeakPolarHBondContact O-CB 3.2Å; I666-K669 PolarHBondContact O-N 3.47Å; K667-K669 PolarHBondContact O-N 2.8Å; K669-F671 HydrophobicContact CB-CE2 3.68Å; K669-F671 HydrophobicContact CB-CZ 4.01Å; K669-F671 HydrophobicContact CD-CZ 4.48Å; K669-F671 WeakPolarHBondContact O-CD2 3.5Å; K669-F671 WeakPolarHBondContact O-CE2 3.46Å; K669-D736 IonicContact NZ-OD2 3.35Å; K669-D736 PolarHBondContact NZ-OD2 3.27Å |
| 670 | Q | 94.7 | Very high | 85.4 | Confident | 93 Ų | 93 | 69.2 Ų | 69.2 | 44% | 0.435 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 136.7 | 177.8 | -169.3 | -179.4 | 28.9 | 0 | 0 | 111.5 | S663 | S663-Q670 PolarHBondContact OG-NE2 3.49Å |
| 671 | F | 96.1 | Very high | 86.3 | Confident | 8 Ų | 8 | 71.4 Ų | 71.4 | 4% | 0.035 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 131.6 | 174.8 | -59.3 | -89.7 | 0 | 0 | 0 | 110 | S663 I664 I666 K669 V688 L689 D690 F696 L747 | S663-F671 CarbonylContact C-O 3.49Å; S663-F671 WeakPolarHBondContact CA-O 3.2Å; S663-F671 VanDerWaalsContact CB-O 3.22Å; S663-F671 WeakPolarHBondContact CB-O 3.3Å; I664-F671 PolarHBondContact N-O 3.22Å; I664-F671 PolarHBondContact O-N 3.46Å; I666-F671 HydrophobicContact CB-CE2 4.16Å; I666-F671 HydrophobicContact CD1-CD2 4.28Å; I666-F671 HydrophobicContact CD1-CE2 4.28Å; I666-F671 HydrophobicContact CG1-CD2 4.33Å; I666-F671 HydrophobicContact CG1-CE2 4.35Å; K669-F671 HydrophobicContact CB-CE2 3.68Å; K669-F671 HydrophobicContact CB-CZ 4.01Å; K669-F671 HydrophobicContact CD-CZ 4.48Å; K669-F671 WeakPolarHBondContact O-CD2 3.5Å; K669-F671 WeakPolarHBondContact O-CE2 3.46Å; F671-V688 HydrophobicContact CB-CB 4.06Å; F671-V688 HydrophobicContact CB-CG2 3.84Å; F671-V688 HydrophobicContact CD1-CG2 4.09Å; F671-V688 HydrophobicContact CG-CG2 4.23Å; F671-L689 CarbonylContact C-O 3.47Å; F671-L689 VanDerWaalsContact CA-O 3.28Å; F671-L689 WeakPolarHBondContact CA-O 3.46Å; F671-D690 HydrophobicContact CD1-CB 3.84Å; F671-D690 HydrophobicContact CE1-CB 3.77Å; F671-F696 HydrophobicContact CD1-CD2 4.38Å; F671-F696 HydrophobicContact CE1-CD2 4.17Å; F671-F696 HydrophobicContact CE1-CE2 4.44Å; F671-L747 HydrophobicContact CD1-CD1 4.09Å; F671-L747 HydrophobicContact CE1-CD1 3.73Å; F671-L747 HydrophobicContact CE1-CD2 3.86Å; F671-L747 HydrophobicContact CE1-CG 4.47Å; F671-L747 HydrophobicContact CE2-CD1 4.32Å; F671-L747 HydrophobicContact CE2-CD2 4.15Å; F671-L747 HydrophobicContact CZ-CD1 3.87Å; F671-L747 HydrophobicContact CZ-CD2 3.4Å; F671-L747 HydrophobicContact CZ-CG 4.28Å |
| 672 | F | 94.9 | Very high | 86.7 | Confident | 65 Ų | 65 | 65.8 Ų | 65.8 | 29% | 0.285 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 129.1 | 179.6 | -55.8 | -83.1 | 0 | 0 | 0 | 109.8 | V688 L689 | F672-V688 CarbonylContact O-C 3.58Å; F672-V688 WeakPolarHBondContact O-CA 3.4Å; F672-V688 WeakPolarHBondContact O-CB 3.16Å; F672-L689 PolarHBondContact N-O 2.9Å; F672-L689 PolarHBondContact O-N 3.03Å |
| 673 | I | 95 | Very high | 86.6 | Confident | 17 Ų | 17 | 61.5 Ų | 61.5 | 9% | 0.087 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 135.4 | 177.9 | -65.6 | 161.8 | 0 | 0 | 0 | 109.4 | E662 I664 Y686 V688 | E662-I673 HydrophobicContact CB-CD1 3.89Å; E662-I673 PolarHBondContact O-N 3.26Å; E662-I673 VanDerWaalsContact O-N 3.08Å; I664-I673 HydrophobicContact CD1-CD1 4.08Å; I664-I673 HydrophobicContact CD1-CG1 4.05Å; I664-I673 HydrophobicContact CG1-CD1 3.8Å; I664-I673 HydrophobicContact CG1-CG1 3.95Å; I673-Y686 HydrophobicContact CD1-CD1 4.29Å; I673-Y686 HydrophobicContact CG1-CD1 4.4Å; I673-Y686 HydrophobicContact CG2-CD1 3.96Å; I673-V688 HydrophobicContact CG1-CG1 4.28Å |
| 674 | L | 91.3 | Very high | 86.5 | Confident | 65 Ų | 65 | 60.9 Ų | 60.9 | 34% | 0.34 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | -47.8 | 167.7 | -66.8 | -175.5 | 0 | 0 | 0 | 111.6 | Q687 L689 L695 | L674-Q687 HydrophobicContact CD1-CG 4.36Å; L674-Q687 PolarHBondContact N-O 3.34Å; L674-L689 HydrophobicContact CD1-CD1 4.13Å; L674-L689 HydrophobicContact CD1-CD2 4.04Å; L674-L689 HydrophobicContact CD1-CG 3.76Å; L674-L689 HydrophobicContact CD2-CD1 3.9Å; L674-L689 HydrophobicContact CD2-CG 4.09Å; L674-L689 HydrophobicContact CG-CD1 4.3Å; L674-L689 HydrophobicContact CG-CG 3.96Å; L674-L695 HydrophobicContact CD1-CD1 3.93Å |
| 675 | K | 89.5 | Confident | 86.4 | Confident | 122 Ų | 122 | 62 Ų | 62 | 53% | 0.53 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -166.5 | 161.5 | 176.4 | 55.6 | 172.6 | 176.3 | 175.5 | 0 | 111.5 | I677 Y686 Q687 | K675-I677 HydrophobicContact CD-CG2 4.21Å; K675-I677 HydrophobicContact CG-CG2 4.03Å; K675-Y686 CarbonylContact O-C 3.58Å; K675-Y686 WeakPolarHBondContact O-CA 3.48Å; K675-Q687 HydrophobicContact CG-CB 4.21Å; K675-Q687 PolarHBondContact N-O 3.35Å; K675-Q687 PolarHBondContact O-N 3.38Å |
| 676 | M | 89.5 | Confident | 86.5 | Confident | 81 Ų | 81 | 60.5 Ų | 60.5 | 40% | 0.399 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 139.9 | 160.6 | -152.9 | -177.8 | -55 | 0 | 0 | 109.3 | R679 K684 V685 Y686 | M676-R679 HydrophobicContact SD-CB 4.11Å; M676-R679 HydrophobicContact SD-CG 4.46Å; M676-K684 HydrophobicContact CE-CD 3.96Å; M676-K684 HydrophobicContact SD-CB 4.2Å; M676-K684 HydrophobicContact SD-CD 4.23Å; M676-K684 HydrophobicContact SD-CG 4.17Å; M676-V685 CarbonylContact C-O 3.49Å; M676-V685 WeakPolarHBondContact CG-O 3.33Å; M676-Y686 HydrophobicContact CB-CD1 4.35Å; M676-Y686 HydrophobicContact CB-CE1 4.42Å; M676-Y686 HydrophobicContact CE-CE1 4.03Å; M676-Y686 HydrophobicContact CG-CD1 4.32Å; M676-Y686 HydrophobicContact CG-CE1 4.23Å |
| 677 | I | 86.6 | Confident | 86.5 | Confident | 81 Ų | 81 | 62.2 Ų | 62.2 | 42% | 0.415 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | -6 | 177.3 | 59 | 170.6 | 0 | 0 | 0 | 113.2 | K675 V685 Q687 A697 | K675-I677 HydrophobicContact CD-CG2 4.21Å; K675-I677 HydrophobicContact CG-CG2 4.03Å; I677-V685 HydrophobicContact CD1-CG1 3.92Å; I677-V685 HydrophobicContact CG1-CB 4.08Å; I677-V685 HydrophobicContact CG1-CG1 3.76Å; I677-V685 WeakPolarHBondContact CG1-O 3.35Å; I677-V685 PolarHBondContact N-O 3.13Å; I677-Q687 HydrophobicContact CD1-CB 4.34Å; I677-Q687 HydrophobicContact CG2-CB 3.71Å; I677-A697 HydrophobicContact CD1-CB 4.36Å |
| 678 | G | 77.6 | Confident | 86.8 | Confident | 28 Ų | 28 | 56.8 Ų | 56.8 | 29% | 0.289 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.8 | 144.7 | 170.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | V685 | G678-V685 PolarHBondContact N-O 2.93Å; G678-V685 PolarHBondContact O-N 3.36Å |
| 679 | R | 75.9 | Confident | 87.1 | Confident | 100 Ų | 100 | 54.6 Ų | 54.6 | 38% | 0.377 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 141.4 | 174.3 | -169.4 | -176.2 | -169.7 | -179 | 8.8 | 108.9 | D432 D436 M676 | D432-R679 VanDerWaalsContact O-CZ 3.28Å; D432-R679 PolarHBondContact O-NH1 2.91Å; D432-R679 PolarHBondContact O-NH2 3.4Å; D432-R679 IonicContact OD1-NH1 2.74Å; D432-R679 IonicContact OD2-CZ 3.23Å; D432-R679 IonicContact OD2-NE 2.65Å; D432-R679 IonicContact OD2-NH1 2.59Å; D432-R679 PolarHBondContact OD2-NH1 3.36Å; D436-R679 IonicContact OD1-NH2 3.23Å; D436-R679 PolarHBondContact OD1-NH2 3.04Å; D436-R679 IonicContact OD2-NH2 2.66Å; D436-R679 PolarHBondContact OD2-NH2 2.89Å; M676-R679 HydrophobicContact SD-CB 4.11Å; M676-R679 HydrophobicContact SD-CG 4.46Å |
| 680 | G | 66.6 | Low | 87.1 | Confident | 31 Ų | 31 | 50.1 Ų | 50.1 | 32% | 0.32 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 167.7 | 169.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | S682 S683 | G680-S682 PolarHBondContact O-N 2.86Å; G680-S683 PolarHBondContact N-O 3.19Å; G680-S683 PolarHBondContact O-N 3.49Å; G680-S683 VanDerWaalsContact O-N 3.11Å |
| 681 | G | 65.8 | Low | 87 | Confident | 98 Ų | 98 | 52.1 Ų | 52.1 | 100% | 1.01 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56 | -28.3 | -166.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||
| 682 | S | 70.3 | Confident | 86.9 | Confident | 52 Ų | 52 | 58.5 Ų | 58.5 | 36% | 0.364 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -123.6 | 1.9 | 174.9 | 57.3 | 0 | 0 | 0 | 0 | 113.9 | G680 V701 N702 Y714 | G680-S682 PolarHBondContact O-N 2.86Å; S682-V701 CarbonylContact O-C 3.57Å; S682-V701 WeakPolarHBondContact O-CA 3.45Å; S682-N702 PolarHBondContact O-N 3.49Å; S682-Y714 PolarHBondContact OG-OH 2.91Å |
| 683 | S | 81.3 | Confident | 86.8 | Confident | 31 Ų | 31 | 61.5 Ų | 61.5 | 22% | 0.217 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 146.8 | -170.4 | 61.7 | 0 | 0 | 0 | 0 | 113.6 | G680 Y700 | G680-S683 PolarHBondContact N-O 3.19Å; G680-S683 PolarHBondContact O-N 3.49Å; G680-S683 VanDerWaalsContact O-N 3.11Å; S683-Y700 CarbonylContact C-O 3.59Å; S683-Y700 WeakPolarHBondContact CA-O 2.86Å; S683-Y700 VanDerWaalsContact CB-O 3.25Å; S683-Y700 WeakPolarHBondContact CB-O 3.38Å |
| 684 | K | 86.8 | Confident | 86.7 | Confident | 35 Ų | 35 | 66 Ų | 66 | 15% | 0.152 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 135.9 | 178.6 | -63.9 | -178.5 | -177.4 | 176.6 | 0 | 108.6 | D436 M676 Y686 Y700 | D436-K684 IonicContact OD1-NZ 2.7Å; D436-K684 PolarHBondContact OD1-NZ 3.5Å; D436-K684 IonicContact OD2-NZ 2.65Å; D436-K684 PolarHBondContact OD2-NZ 2.92Å; M676-K684 HydrophobicContact CE-CD 3.96Å; M676-K684 HydrophobicContact SD-CB 4.2Å; M676-K684 HydrophobicContact SD-CD 4.23Å; M676-K684 HydrophobicContact SD-CG 4.17Å; K684-Y686 HydrophobicContact CB-CD2 4.45Å; K684-Y686 HydrophobicContact CB-CE2 3.61Å; K684-Y686 WeakPolarHBondContact CD-OH 3.36Å; K684-Y700 HydrophobicContact CB-CD1 4.43Å; K684-Y700 PolarHBondContact N-O 2.94Å; K684-Y700 WeakPolarHBondContact O-CB 3.38Å; K684-Y700 PolarHBondContact O-N 3.17Å |
| 685 | V | 91.4 | Very high | 86.9 | Confident | 32 Ų | 32 | 66.8 Ų | 66.8 | 19% | 0.194 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 123 | 179 | -169.1 | 0 | 0 | 0 | 0 | 108.5 | M676 I677 G678 A697 V698 K699 | M676-V685 CarbonylContact C-O 3.49Å; M676-V685 WeakPolarHBondContact CG-O 3.33Å; I677-V685 HydrophobicContact CD1-CG1 3.92Å; I677-V685 HydrophobicContact CG1-CB 4.08Å; I677-V685 HydrophobicContact CG1-CG1 3.76Å; I677-V685 WeakPolarHBondContact CG1-O 3.35Å; I677-V685 PolarHBondContact N-O 3.13Å; G678-V685 PolarHBondContact N-O 2.93Å; G678-V685 PolarHBondContact O-N 3.36Å; V685-A697 HydrophobicContact CG1-CB 4.42Å; V685-V698 CarbonylContact C-O 3.54Å; V685-V698 WeakPolarHBondContact CA-O 3.38Å; V685-K699 HydrophobicContact CG2-CB 4.25Å; V685-K699 HydrophobicContact CG2-CG 4.19Å |
| 686 | Y | 94 | Very high | 87.2 | Confident | 43 Ų | 43 | 62.1 Ų | 62.1 | 17% | 0.169 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 136.9 | -178.7 | -60.5 | -90.3 | 0 | 0 | 0 | 110.2 | I664 I673 K675 M676 K684 A697 V698 | I664-Y686 HydrophobicContact CD1-CD2 3.98Å; I664-Y686 HydrophobicContact CD1-CG 4.19Å; I673-Y686 HydrophobicContact CD1-CD1 4.29Å; I673-Y686 HydrophobicContact CG1-CD1 4.4Å; I673-Y686 HydrophobicContact CG2-CD1 3.96Å; K675-Y686 CarbonylContact O-C 3.58Å; K675-Y686 WeakPolarHBondContact O-CA 3.48Å; M676-Y686 HydrophobicContact CB-CD1 4.35Å; M676-Y686 HydrophobicContact CB-CE1 4.42Å; M676-Y686 HydrophobicContact CE-CE1 4.03Å; M676-Y686 HydrophobicContact CG-CD1 4.32Å; M676-Y686 HydrophobicContact CG-CE1 4.23Å; K684-Y686 HydrophobicContact CB-CD2 4.45Å; K684-Y686 HydrophobicContact CB-CE2 3.61Å; K684-Y686 WeakPolarHBondContact CD-OH 3.36Å; Y686-A697 CarbonylContact O-C 3.6Å; Y686-A697 VanDerWaalsContact O-CA 3.32Å; Y686-A697 WeakPolarHBondContact O-CA 3.39Å; Y686-V698 PolarHBondContact N-O 3.18Å; Y686-V698 PolarHBondContact O-N 2.78Å |
| 687 | Q | 95.6 | Very high | 87.6 | Confident | 36 Ų | 36 | 58.5 Ų | 58.5 | 17% | 0.168 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 126.7 | 162.4 | -177.6 | 170.1 | 50.9 | 0 | 0 | 107.9 | L674 K675 I677 L695 C750 | L674-Q687 HydrophobicContact CD1-CG 4.36Å; L674-Q687 PolarHBondContact N-O 3.34Å; K675-Q687 HydrophobicContact CG-CB 4.21Å; K675-Q687 PolarHBondContact N-O 3.35Å; K675-Q687 PolarHBondContact O-N 3.38Å; I677-Q687 HydrophobicContact CD1-CB 4.34Å; I677-Q687 HydrophobicContact CG2-CB 3.71Å; Q687-L695 HydrophobicContact CG-CD1 3.69Å; Q687-L695 HydrophobicContact CG-CG 4.48Å; Q687-C750 PolarHBondContact NE2-SG 3.38Å |
| 688 | V | 96.4 | Very high | 88 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 159 | -172.6 | -50.7 | 0 | 0 | 0 | 0 | 112.2 | I664 F671 F672 I673 F696 V698 | I664-V688 HydrophobicContact CD1-CG1 4.42Å; F671-V688 HydrophobicContact CB-CB 4.06Å; F671-V688 HydrophobicContact CB-CG2 3.84Å; F671-V688 HydrophobicContact CD1-CG2 4.09Å; F671-V688 HydrophobicContact CG-CG2 4.23Å; F672-V688 CarbonylContact O-C 3.58Å; F672-V688 WeakPolarHBondContact O-CA 3.4Å; F672-V688 WeakPolarHBondContact O-CB 3.16Å; I673-V688 HydrophobicContact CG1-CG1 4.28Å; V688-F696 HydrophobicContact CG2-CB 3.85Å; V688-F696 PolarHBondContact N-O 3.11Å; V688-F696 PolarHBondContact O-N 2.76Å; V688-V698 HydrophobicContact CG1-CB 4.23Å; V688-V698 HydrophobicContact CG1-CG2 4.05Å; V688-V698 HydrophobicContact CG2-CG2 3.67Å |
| 689 | L | 96.1 | Very high | 88.8 | Confident | 24 Ų | 24 | 55.2 Ų | 55.2 | 13% | 0.126 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 141.7 | 168.5 | -64.2 | -179.5 | 0 | 0 | 0 | 111 | F671 F672 L674 K693 Q694 L695 | F671-L689 CarbonylContact C-O 3.47Å; F671-L689 VanDerWaalsContact CA-O 3.28Å; F671-L689 WeakPolarHBondContact CA-O 3.46Å; F672-L689 PolarHBondContact N-O 2.9Å; F672-L689 PolarHBondContact O-N 3.03Å; L674-L689 HydrophobicContact CD1-CD1 4.13Å; L674-L689 HydrophobicContact CD1-CD2 4.04Å; L674-L689 HydrophobicContact CD1-CG 3.76Å; L674-L689 HydrophobicContact CD2-CD1 3.9Å; L674-L689 HydrophobicContact CD2-CG 4.09Å; L674-L689 HydrophobicContact CG-CD1 4.3Å; L674-L689 HydrophobicContact CG-CG 3.96Å; L689-K693 HydrophobicContact CD1-CD 4.03Å; L689-Q694 WeakPolarHBondContact CA-O 3.36Å; L689-L695 HydrophobicContact CD2-CB 4.27Å; L689-L695 HydrophobicContact CD2-CD1 3.7Å |
| 690 | D | 94.8 | Very high | 89.6 | Confident | 11 Ų | 11 | 53 Ų | 53 | 6% | 0.059 | 29% | 0.288 | C | S | . | . | trans | -79.8 | -179.7 | 165 | 90.9 | -43.4 | 0 | 0 | 0 | 112.1 | F671 K692 K693 Q694 F696 | F671-D690 HydrophobicContact CD1-CB 3.84Å; F671-D690 HydrophobicContact CE1-CB 3.77Å; D690-K692 PolarHBondContact O-N 3.03Å; D690-K692 VanDerWaalsContact OD1-C 3.31Å; D690-K692 WeakPolarHBondContact OD1-CA 3.36Å; D690-K692 WeakPolarHBondContact OD1-CB 3.2Å; D690-K692 PolarHBondContact OD1-N 3.18Å; D690-K692 WeakPolarHBondContact OD2-CB 3.36Å; D690-K692 WeakPolarHBondContact OD2-CG 3.12Å; D690-K692 PolarHBondContact OD2-N 2.63Å; D690-K693 PolarHBondContact O-N 2.79Å; D690-K693 PolarHBondContact OD1-N 3.12Å; D690-Q694 PolarHBondContact N-O 2.78Å; D690-Q694 VanDerWaalsContact N-O 3.09Å; D690-Q694 WeakPolarHBondContact OD1-CB 3.35Å; D690-Q694 PolarHBondContact OD1-N 3.39Å; D690-F696 HydrophobicContact CB-CD2 4.3Å; D690-F696 HydrophobicContact CB-CE2 3.9Å | ||
| 691 | H | 91.1 | Very high | 90.7 | Very high | 135 Ų | 135 | 51.5 Ų | 51.5 | 63% | 0.625 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | -27.8 | 173.2 | 65.6 | -70.8 | 0 | 0 | 0 | 114.3 | K693 | H691-K693 VanDerWaalsContact C-N 3.33Š|
| 692 | K | 94.2 | Very high | 91.6 | Very high | 141 Ų | 141 | 48.2 Ų | 48.2 | 61% | 0.613 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.9 | 4.2 | 175.7 | -55.1 | 179.1 | -174.4 | 176.6 | 0 | 113.7 | D690 Q694 | D690-K692 PolarHBondContact O-N 3.03Å; D690-K692 VanDerWaalsContact OD1-C 3.31Å; D690-K692 WeakPolarHBondContact OD1-CA 3.36Å; D690-K692 WeakPolarHBondContact OD1-CB 3.2Å; D690-K692 PolarHBondContact OD1-N 3.18Å; D690-K692 WeakPolarHBondContact OD2-CB 3.36Å; D690-K692 WeakPolarHBondContact OD2-CG 3.12Å; D690-K692 PolarHBondContact OD2-N 2.63Å; K692-Q694 HydrophobicContact CB-CG 4.22Å; K692-Q694 PolarHBondContact O-N 2.83Å |
| 693 | K | 92.4 | Very high | 92.4 | Very high | 128 Ų | 128 | 45.9 Ų | 45.9 | 56% | 0.557 | 22% | 0.216 | S | C | * | . | trans | 61.2 | 26.6 | -174.5 | -47.5 | -59.1 | 177.8 | -178.1 | 0 | 113.7 | L689 D690 H691 | L689-K693 HydrophobicContact CD1-CD 4.03Å; D690-K693 PolarHBondContact O-N 2.79Å; D690-K693 PolarHBondContact OD1-N 3.12Å; H691-K693 VanDerWaalsContact C-N 3.33Å | ||
| 694 | Q | 93.6 | Very high | 92.3 | Very high | 111 Ų | 111 | 47.6 Ų | 47.6 | 52% | 0.519 | 22% | 0.221 | S | C | . | . | trans | -78.3 | 143.3 | 166.8 | -61.9 | -170.8 | -53.6 | 0 | 0 | 110.1 | L689 D690 K692 F696 | L689-Q694 WeakPolarHBondContact CA-O 3.36Å; D690-Q694 PolarHBondContact N-O 2.78Å; D690-Q694 VanDerWaalsContact N-O 3.09Å; D690-Q694 WeakPolarHBondContact OD1-CB 3.35Å; D690-Q694 PolarHBondContact OD1-N 3.39Å; K692-Q694 HydrophobicContact CB-CG 4.22Å; K692-Q694 PolarHBondContact O-N 2.83Å; Q694-F696 HydrophobicContact CB-CE2 3.66Å; Q694-F696 HydrophobicContact CB-CZ 4.04Å; Q694-F696 WeakPolarHBondContact O-CD2 3.38Å | ||
| 695 | L | 94.9 | Very high | 91.7 | Very high | 82 Ų | 82 | 48.4 Ų | 48.4 | 43% | 0.429 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 124.7 | -168.4 | -171.7 | 71.9 | 0 | 0 | 0 | 112 | L674 Q687 L689 C750 | L674-L695 HydrophobicContact CD1-CD1 3.93Å; Q687-L695 HydrophobicContact CG-CD1 3.69Å; Q687-L695 HydrophobicContact CG-CG 4.48Å; L689-L695 HydrophobicContact CD2-CB 4.27Å; L689-L695 HydrophobicContact CD2-CD1 3.7Å; L695-C750 HydrophobicContact CD2-CB 4.12Å; L695-C750 HydrophobicContact CG-CB 3.86Å |
| 696 | F | 96.8 | Very high | 90.9 | Very high | 24 Ų | 24 | 48.2 Ų | 48.2 | 11% | 0.105 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 162.9 | -178.9 | -59.6 | -83.4 | 0 | 0 | 0 | 111.7 | F671 V688 D690 Q694 Y735 L747 | F671-F696 HydrophobicContact CD1-CD2 4.38Å; F671-F696 HydrophobicContact CE1-CD2 4.17Å; F671-F696 HydrophobicContact CE1-CE2 4.44Å; V688-F696 HydrophobicContact CG2-CB 3.85Å; V688-F696 PolarHBondContact N-O 3.11Å; V688-F696 PolarHBondContact O-N 2.76Å; D690-F696 HydrophobicContact CB-CD2 4.3Å; D690-F696 HydrophobicContact CB-CE2 3.9Å; Q694-F696 HydrophobicContact CB-CE2 3.66Å; Q694-F696 HydrophobicContact CB-CZ 4.04Å; Q694-F696 WeakPolarHBondContact O-CD2 3.38Å; F696-Y735 AromaticContact CD1-CD2 3.57Å; F696-Y735 HydrophobicContact CD1-CD2 3.57Å; F696-Y735 AromaticContact CD1-CE2 3.6Å; F696-Y735 HydrophobicContact CD1-CE2 3.6Å; F696-Y735 HydrophobicContact CD1-CG 4.49Å; F696-Y735 AromaticContact CE1-CD2 3.61Å; F696-Y735 HydrophobicContact CE1-CD2 3.61Å; F696-Y735 AromaticContact CE1-CE2 3.57Å; F696-Y735 HydrophobicContact CE1-CE2 3.57Å; F696-Y735 HydrophobicContact CE1-CG 4.19Å; F696-L747 HydrophobicContact CB-CD1 3.64Å; F696-L747 HydrophobicContact CD1-CD1 4.29Å; F696-L747 HydrophobicContact CD1-CG 4.43Å; F696-L747 HydrophobicContact CG-CD1 3.94Å |
| 697 | A | 96.5 | Very high | 90.2 | Very high | 6 Ų | 6 | 50.3 Ų | 50.3 | 5% | 0.05 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 135.2 | 166.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | I677 V685 Y686 M748 | I677-A697 HydrophobicContact CD1-CB 4.36Å; V685-A697 HydrophobicContact CG1-CB 4.42Å; Y686-A697 CarbonylContact O-C 3.6Å; Y686-A697 VanDerWaalsContact O-CA 3.32Å; Y686-A697 WeakPolarHBondContact O-CA 3.39Å; A697-M748 HydrophobicContact CB-CB 4.48Å; A697-M748 HydrophobicContact CB-CE 4.4Å; A697-M748 PolarHBondContact N-O 2.85Å; A697-M748 PolarHBondContact O-N 3.01Å |
| 698 | V | 96.6 | Very high | 89.3 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 112.7 | 173.8 | 171.8 | 0 | 0 | 0 | 0 | 109.2 | I664 I666 V685 Y686 V688 Y745 M746 L747 | I664-V698 HydrophobicContact CD1-CB 4.19Å; I664-V698 HydrophobicContact CD1-CG1 3.79Å; I664-V698 HydrophobicContact CG2-CG1 4.4Å; I666-V698 HydrophobicContact CD1-CG1 4Å; I666-V698 HydrophobicContact CD1-CG2 3.85Å; V685-V698 CarbonylContact C-O 3.54Å; V685-V698 WeakPolarHBondContact CA-O 3.38Å; Y686-V698 PolarHBondContact N-O 3.18Å; Y686-V698 PolarHBondContact O-N 2.78Å; V688-V698 HydrophobicContact CG1-CB 4.23Å; V688-V698 HydrophobicContact CG1-CG2 4.05Å; V688-V698 HydrophobicContact CG2-CG2 3.67Å; V698-Y745 HydrophobicContact CG1-CD1 3.58Å; V698-Y745 HydrophobicContact CG1-CE1 4.23Å; V698-Y745 HydrophobicContact CG1-CG 4.44Å; V698-M746 WeakPolarHBondContact CA-O 3.46Å; V698-L747 HydrophobicContact CG2-CD1 3.67Å |
| 699 | K | 94.2 | Very high | 88.4 | Confident | 40 Ų | 40 | 57.9 Ų | 57.9 | 17% | 0.174 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 107.3 | 172.2 | 178.1 | 177.7 | 177.2 | -177 | 0 | 108.5 | V685 V701 Y745 M746 M748 | V685-K699 HydrophobicContact CG2-CB 4.25Å; V685-K699 HydrophobicContact CG2-CG 4.19Å; K699-V701 HydrophobicContact CG-CG2 4.49Å; K699-Y745 WeakPolarHBondContact O-CA 3.35Å; K699-M746 HydrophobicContact CB-CB 4.34Å; K699-M746 HydrophobicContact CB-CE 4.19Å; K699-M746 HydrophobicContact CD-CE 3.68Å; K699-M746 HydrophobicContact CD-SD 4.26Å; K699-M746 HydrophobicContact CG-CE 3.73Å; K699-M746 PolarHBondContact N-O 2.75Å; K699-M746 PolarHBondContact O-N 3.28Å; K699-M748 HydrophobicContact CB-CE 3.65Å; K699-M748 HydrophobicContact CB-SD 4.4Å; K699-M748 HydrophobicContact CD-CE 4.36Å |
| 700 | Y | 92.6 | Very high | 87.6 | Confident | 52 Ų | 52 | 57.9 Ų | 57.9 | 20% | 0.204 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 140.1 | 167.7 | 174.1 | -108.6 | 0 | 0 | 0 | 110.1 | S683 K684 N702 Y743 I744 Y745 | S683-Y700 CarbonylContact C-O 3.59Å; S683-Y700 WeakPolarHBondContact CA-O 2.86Å; S683-Y700 VanDerWaalsContact CB-O 3.25Å; S683-Y700 WeakPolarHBondContact CB-O 3.38Å; K684-Y700 HydrophobicContact CB-CD1 4.43Å; K684-Y700 PolarHBondContact N-O 2.94Å; K684-Y700 WeakPolarHBondContact O-CB 3.38Å; K684-Y700 PolarHBondContact O-N 3.17Å; Y700-N702 HydrophobicContact CE1-CB 4.01Å; Y700-Y743 VanDerWaalsContact CE2-CB 3.46Å; Y700-Y743 HydrophobicContact CE2-CG 4.13Å; Y700-I744 CarbonylContact C-O 3.49Å; Y700-I744 VanDerWaalsContact CA-O 3.31Å; Y700-I744 WeakPolarHBondContact CA-O 3.32Å; Y700-Y745 AromaticContact CD2-CD1 3.92Å; Y700-Y745 HydrophobicContact CD2-CD1 3.92Å; Y700-Y745 AromaticContact CD2-CE1 3.39Å; Y700-Y745 HydrophobicContact CD2-CE1 3.39Å; Y700-Y745 HydrophobicContact CD2-CE2 4.46Å; Y700-Y745 AromaticContact CD2-CZ 3.69Å; Y700-Y745 HydrophobicContact CE2-CE1 4.3Å; Y700-Y745 HydrophobicContact CG-CD1 4.5Å; Y700-Y745 HydrophobicContact CG-CE1 4.03Å |
| 701 | V | 89.5 | Confident | 87 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 128.2 | 168.1 | -171.2 | 0 | 0 | 0 | 0 | 108.2 | S682 K699 L703 Y714 Y743 I744 M746 | S682-V701 CarbonylContact O-C 3.57Å; S682-V701 WeakPolarHBondContact O-CA 3.45Å; K699-V701 HydrophobicContact CG-CG2 4.49Å; V701-L703 HydrophobicContact CG1-CD2 4.11Å; V701-Y714 HydrophobicContact CG1-CD2 4.35Å; V701-Y714 HydrophobicContact CG1-CE1 4.27Å; V701-Y714 HydrophobicContact CG1-CE2 3.76Å; V701-Y743 CarbonylContact O-C 3.59Å; V701-Y743 WeakPolarHBondContact O-CA 3.48Å; V701-Y743 WeakPolarHBondContact O-CB 3.27Å; V701-I744 HydrophobicContact CB-CB 4.16Å; V701-I744 HydrophobicContact CG2-CB 4.42Å; V701-I744 PolarHBondContact N-O 3.23Å; V701-I744 PolarHBondContact O-N 2.75Å; V701-M746 HydrophobicContact CG2-CE 3.8Å |
| 702 | N | 84.9 | Confident | 86.7 | Confident | 29 Ų | 29 | 56.6 Ų | 56.6 | 16% | 0.155 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 127.5 | 171.5 | -174.2 | -2.1 | 0 | 0 | 0 | 109.6 | S682 Y700 E704 S742 | S682-N702 PolarHBondContact O-N 3.49Å; Y700-N702 HydrophobicContact CE1-CB 4.01Å; N702-E704 WeakPolarHBondContact OD1-CB 3.43Å; N702-E704 PolarHBondContact OD1-N 3.1Å; N702-S742 PolarHBondContact OD1-O 3.17Å |
| 703 | L | 85.6 | Confident | 86.2 | Confident | 4 Ų | 4 | 50 Ų | 50 | 2% | 0.021 | 26% | 0.257 | C | S | . | . | trans | -107 | -4.4 | 177.3 | -57.8 | -178.1 | 0 | 0 | 0 | 113.6 | V701 E705 A706 I711 Y714 T740 S742 I744 | V701-L703 HydrophobicContact CG1-CD2 4.11Å; L703-E705 PolarHBondContact O-N 2.82Å; L703-A706 HydrophobicContact CB-CB 4.42Å; L703-A706 HydrophobicContact CD2-CB 4.15Å; L703-A706 PolarHBondContact O-N 2.61Å; L703-I711 HydrophobicContact CB-CG1 4.39Å; L703-I711 HydrophobicContact CD1-CG1 4.18Å; L703-I711 HydrophobicContact CD1-CG2 4.34Å; L703-I711 HydrophobicContact CD2-CG1 4.15Å; L703-I711 HydrophobicContact CG-CG1 4.48Å; L703-Y714 HydrophobicContact CD2-CD2 3.92Å; L703-Y714 HydrophobicContact CD2-CE2 4.15Å; L703-T740 WeakPolarHBondContact CD1-O 3.49Å; L703-S742 PolarHBondContact N-O 3.32Å; L703-I744 HydrophobicContact CD1-CD1 4.14Å; L703-I744 HydrophobicContact CD1-CG1 3.7Å; L703-I744 HydrophobicContact CD2-CD1 4.27Å; L703-I744 HydrophobicContact CD2-CG1 4.33Å; L703-I744 HydrophobicContact CG-CG1 4.15Å | ||
| 704 | E | 80.1 | Confident | 85.9 | Confident | 67 Ų | 67 | 45.4 Ų | 45.4 | 31% | 0.313 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -20.9 | 180 | -70.3 | -152.5 | 123.8 | 0 | 0 | 114.1 | S443 K446 N702 | S443-E704 WeakPolarHBondContact CB-OE2 3.36Å; K446-E704 IonicContact NZ-OE1 2.68Å; K446-E704 PolarHBondContact NZ-OE1 3.1Å; N702-E704 WeakPolarHBondContact OD1-CB 3.43Å; N702-E704 PolarHBondContact OD1-N 3.1Å |
| 705 | E | 73.9 | Confident | 85.6 | Confident | 52 Ų | 52 | 43.2 Ų | 43.2 | 24% | 0.243 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.3 | -6.9 | 176.4 | -68.9 | -169.4 | -172.9 | 0 | 0 | 114.8 | R442 K474 L703 | R442-E705 IonicContact CZ-OE1 2.66Å; R442-E705 IonicContact NH1-OE1 2.75Å; R442-E705 PolarHBondContact NH1-OE1 3.25Å; R442-E705 IonicContact NH2-OE1 3.2Å; R442-E705 PolarHBondContact NH2-OE1 3.17Å; K474-E705 PolarHBondContact NZ-O 3.41Å; L703-E705 PolarHBondContact O-N 2.82Å |
| 706 | A | 75.3 | Confident | 85.2 | Confident | 28 Ų | 28 | 42.2 Ų | 42.2 | 23% | 0.231 | 22% | 0.22 | C | C | . | . | trans | -77.6 | 144.4 | -176.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | L703 T710 I711 | L703-A706 HydrophobicContact CB-CB 4.42Å; L703-A706 HydrophobicContact CD2-CB 4.15Å; L703-A706 PolarHBondContact O-N 2.61Å; A706-T710 HydrophobicContact CB-CG2 3.97Å; A706-I711 HydrophobicContact CB-CD1 4.4Å; A706-I711 HydrophobicContact CB-CG1 3.88Å | ||
| 707 | D | 78.2 | Confident | 84.9 | Confident | 87 Ų | 87 | 42 Ų | 42 | 47% | 0.465 | 22% | 0.22 | S | C | . | . | trans | -81 | 168.6 | 168.3 | 61.1 | 50.3 | 0 | 0 | 0 | 111.8 | Q709 T710 I711 | D707-Q709 PolarHBondContact O-N 3.47Å; D707-Q709 PolarHBondContact OD1-N 3.41Å; D707-Q709 VanDerWaalsContact OD1-N 3.09Å; D707-T710 WeakPolarHBondContact O-CB 3.19Å; D707-T710 PolarHBondContact O-N 3.16Å; D707-T710 WeakPolarHBondContact OD1-CB 3.37Å; D707-T710 PolarHBondContact OD1-N 2.8Å; D707-T710 PolarHBondContact OD1-OG1 2.92Å; D707-T710 PolarHBondContact OD2-OG1 3.34Å; D707-I711 VanDerWaalsContact O-CG1 3.31Å; D707-I711 WeakPolarHBondContact O-CG1 3.31Å; D707-I711 PolarHBondContact O-N 2.84Å | ||
| 708 | A | 78.4 | Confident | 84.6 | Confident | 80 Ų | 80 | 41.9 Ų | 41.9 | 66% | 0.661 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -60.2 | -32.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113 | E712 | A708-E712 WeakPolarHBondContact O-CB 3.3Å; A708-E712 PolarHBondContact O-N 2.87Å |
| 709 | Q | 77.1 | Confident | 84.4 | Confident | 114 Ų | 114 | 47.2 Ų | 47.2 | 53% | 0.533 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -75 | -37.2 | -178.9 | -150 | -173.3 | -19.6 | 0 | 0 | 111.1 | D707 E712 S713 I817 | D707-Q709 PolarHBondContact O-N 3.47Å; D707-Q709 PolarHBondContact OD1-N 3.41Å; D707-Q709 VanDerWaalsContact OD1-N 3.09Å; Q709-E712 PolarHBondContact O-N 3.35Å; Q709-S713 WeakPolarHBondContact O-CB 3.48Å; Q709-S713 PolarHBondContact O-N 3.37Å; Q709-I817 HydrophobicContact CB-CG2 3.86Å; Q709-I817 HydrophobicContact CG-CD1 4.46Å; Q709-I817 HydrophobicContact CG-CG2 3.61Å |
| 710 | T | 78.2 | Confident | 84.2 | Confident | 24 Ų | 24 | 48.6 Ų | 48.6 | 15% | 0.147 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -64.4 | -45.4 | 171.7 | -57.9 | 0 | 0 | 0 | 0 | 110.9 | A706 D707 E712 S713 Y714 | A706-T710 HydrophobicContact CB-CG2 3.97Å; D707-T710 WeakPolarHBondContact O-CB 3.19Å; D707-T710 PolarHBondContact O-N 3.16Å; D707-T710 WeakPolarHBondContact OD1-CB 3.37Å; D707-T710 PolarHBondContact OD1-N 2.8Å; D707-T710 PolarHBondContact OD1-OG1 2.92Å; D707-T710 PolarHBondContact OD2-OG1 3.34Å; T710-E712 VanDerWaalsContact C-N 3.33Å; T710-E712 PolarHBondContact O-N 3.38Å; T710-S713 WeakPolarHBondContact O-CB 3.32Å; T710-S713 PolarHBondContact O-N 3.03Å; T710-S713 PolarHBondContact O-OG 3.08Å; T710-Y714 HydrophobicContact CG2-CD2 4.23Å; T710-Y714 HydrophobicContact CG2-CE2 3.74Å; T710-Y714 VanDerWaalsContact O-CD2 3.27Å; T710-Y714 WeakPolarHBondContact O-CD2 3.44Å; T710-Y714 PolarHBondContact O-N 3.49Å |
| 711 | I | 83.6 | Confident | 84.2 | Confident | 38 Ų | 38 | 46.5 Ų | 46.5 | 20% | 0.195 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -59.8 | -45.7 | 175.6 | -67.8 | 166.5 | 0 | 0 | 0 | 110.4 | L703 A706 D707 S713 Y714 K715 | L703-I711 HydrophobicContact CB-CG1 4.39Å; L703-I711 HydrophobicContact CD1-CG1 4.18Å; L703-I711 HydrophobicContact CD1-CG2 4.34Å; L703-I711 HydrophobicContact CD2-CG1 4.15Å; L703-I711 HydrophobicContact CG-CG1 4.48Å; A706-I711 HydrophobicContact CB-CD1 4.4Å; A706-I711 HydrophobicContact CB-CG1 3.88Å; D707-I711 VanDerWaalsContact O-CG1 3.31Å; D707-I711 WeakPolarHBondContact O-CG1 3.31Å; D707-I711 PolarHBondContact O-N 2.84Å; I711-S713 VanDerWaalsContact C-N 3.32Å; I711-S713 PolarHBondContact O-N 3.2Å; I711-Y714 PolarHBondContact O-N 3.21Å; I711-K715 PolarHBondContact O-N 3.39Å |
| 712 | E | 84.6 | Confident | 84.4 | Confident | 81 Ų | 81 | 50.2 Ų | 50.2 | 38% | 0.379 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -65.4 | -35.1 | 178.1 | -157.2 | 56.5 | -137.9 | 0 | 0 | 112.2 | A708 Q709 T710 Y714 K715 N716 | A708-E712 WeakPolarHBondContact O-CB 3.3Å; A708-E712 PolarHBondContact O-N 2.87Å; Q709-E712 PolarHBondContact O-N 3.35Å; T710-E712 VanDerWaalsContact C-N 3.33Å; T710-E712 PolarHBondContact O-N 3.38Å; E712-Y714 VanDerWaalsContact C-N 3.34Å; E712-Y714 PolarHBondContact O-N 3.24Å; E712-K715 PolarHBondContact O-N 2.95Å; E712-K715 IonicContact OE1-NZ 3.52Å; E712-K715 WeakPolarHBondContact OE2-CE 3.29Å; E712-K715 IonicContact OE2-NZ 3.93Å; E712-K715 PolarHBondContact OE2-NZ 3.38Å; E712-N716 PolarHBondContact O-N 2.81Å; E712-N716 PolarHBondContact O-ND2 3.4Å |
| 713 | S | 82.5 | Confident | 84.7 | Confident | 2 Ų | 2 | 52.8 Ų | 52.8 | 1% | 0.014 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -59.9 | -41.9 | 174.9 | 84.6 | 0 | 0 | 0 | 0 | 112.7 | Q709 T710 I711 E717 A814 | Q709-S713 WeakPolarHBondContact O-CB 3.48Å; Q709-S713 PolarHBondContact O-N 3.37Å; T710-S713 WeakPolarHBondContact O-CB 3.32Å; T710-S713 PolarHBondContact O-N 3.03Å; T710-S713 PolarHBondContact O-OG 3.08Å; I711-S713 VanDerWaalsContact C-N 3.32Å; I711-S713 PolarHBondContact O-N 3.2Å; S713-E717 PolarHBondContact O-N 3.43Å; S713-E717 VanDerWaalsContact O-N 3.09Å; S713-A814 VanDerWaalsContact OG-CA 3.29Å; S713-A814 WeakPolarHBondContact OG-CA 3.3Å; S713-A814 WeakPolarHBondContact OG-CB 3.44Å |
| 714 | Y | 86.8 | Confident | 85.1 | Confident | 33 Ų | 33 | 52.7 Ų | 52.7 | 13% | 0.129 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -69 | -38.1 | 176.8 | -72.5 | -60.1 | 0 | 0 | 0 | 112.2 | S682 V701 L703 T710 I711 E712 E717 I718 I744 A814 | S682-Y714 PolarHBondContact OG-OH 2.91Å; V701-Y714 HydrophobicContact CG1-CD2 4.35Å; V701-Y714 HydrophobicContact CG1-CE1 4.27Å; V701-Y714 HydrophobicContact CG1-CE2 3.76Å; L703-Y714 HydrophobicContact CD2-CD2 3.92Å; L703-Y714 HydrophobicContact CD2-CE2 4.15Å; T710-Y714 HydrophobicContact CG2-CD2 4.23Å; T710-Y714 HydrophobicContact CG2-CE2 3.74Å; T710-Y714 VanDerWaalsContact O-CD2 3.27Å; T710-Y714 WeakPolarHBondContact O-CD2 3.44Å; T710-Y714 PolarHBondContact O-N 3.49Å; I711-Y714 PolarHBondContact O-N 3.21Å; E712-Y714 VanDerWaalsContact C-N 3.34Å; E712-Y714 PolarHBondContact O-N 3.24Å; Y714-E717 PolarHBondContact O-N 3.02Å; Y714-I718 WeakPolarHBondContact O-CD1 3.04Å; Y714-I718 VanDerWaalsContact O-CG1 3.22Å; Y714-I718 WeakPolarHBondContact O-CG1 3.42Å; Y714-I718 PolarHBondContact O-N 3.47Å; Y714-I744 VanDerWaalsContact CB-CD1 3.47Å; Y714-I744 HydrophobicContact CD2-CD1 4.33Å; Y714-I744 HydrophobicContact CG-CD1 4.02Å; Y714-A814 HydrophobicContact CD1-CB 3.43Å; Y714-A814 VanDerWaalsContact CD1-CB 3.43Å; Y714-A814 HydrophobicContact CE1-CB 3.46Å; Y714-A814 VanDerWaalsContact CE1-CB 3.46Å; Y714-A814 HydrophobicContact CG-CB 4.13Å |
| 715 | K | 87.8 | Confident | 85.7 | Confident | 65 Ų | 65 | 51.8 Ų | 51.8 | 28% | 0.283 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -59.9 | -51.2 | 174.6 | -65.4 | -179 | -162 | 158.6 | 0 | 111.3 | I711 E712 E717 I718 E719 | I711-K715 PolarHBondContact O-N 3.39Å; E712-K715 PolarHBondContact O-N 2.95Å; E712-K715 IonicContact OE1-NZ 3.52Å; E712-K715 WeakPolarHBondContact OE2-CE 3.29Å; E712-K715 IonicContact OE2-NZ 3.93Å; E712-K715 PolarHBondContact OE2-NZ 3.38Å; K715-E717 VanDerWaalsContact C-N 3.28Å; K715-E717 PolarHBondContact O-N 2.99Å; K715-I718 PolarHBondContact O-N 3.3Å; K715-I718 VanDerWaalsContact O-N 3.09Å; K715-E719 WeakPolarHBondContact O-CG 3.32Å; K715-E719 PolarHBondContact O-N 3.4Å |
| 716 | N | 86.4 | Confident | 86.6 | Confident | 61 Ų | 61 | 56.2 Ų | 56.2 | 33% | 0.326 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -58.4 | -41.2 | 179.6 | -79.3 | -96.3 | 0 | 0 | 0 | 111.2 | E712 E719 H720 | E712-N716 PolarHBondContact O-N 2.81Å; E712-N716 PolarHBondContact O-ND2 3.4Å; N716-E719 PolarHBondContact O-N 2.5Å; N716-H720 WeakPolarHBondContact O-CB 3.38Å; N716-H720 PolarHBondContact O-CD2 2.9Å; N716-H720 PolarHBondContact O-N 2.71Å |
| 717 | E | 89.1 | Confident | 87.4 | Confident | 19 Ų | 19 | 60.3 Ų | 60.3 | 9% | 0.089 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -65.2 | -38.4 | 176.2 | -166.5 | 157.3 | -172.8 | 0 | 0 | 113 | S713 Y714 K715 L721 F811 G812 I813 A814 | S713-E717 PolarHBondContact O-N 3.43Å; S713-E717 VanDerWaalsContact O-N 3.09Å; Y714-E717 PolarHBondContact O-N 3.02Å; K715-E717 VanDerWaalsContact C-N 3.28Å; K715-E717 PolarHBondContact O-N 2.99Å; E717-L721 VanDerWaalsContact O-CB 3.23Å; E717-L721 WeakPolarHBondContact O-CB 3.33Å; E717-L721 PolarHBondContact O-N 3.31Å; E717-F811 HydrophobicContact CG-CD2 4.4Å; E717-F811 PolarHBondContact OE1-N 3.49Å; E717-G812 PolarHBondContact OE1-N 3.18Å; E717-I813 HydrophobicContact CB-CB 4.11Å; E717-I813 HydrophobicContact CB-CG2 4.45Å; E717-I813 HydrophobicContact CG-CB 4.27Å; E717-I813 PolarHBondContact OE2-N 2.98Å; E717-A814 VanDerWaalsContact OE2-CB 3.26Å; E717-A814 WeakPolarHBondContact OE2-CB 3.39Å; E717-A814 PolarHBondContact OE2-N 2.81Å |
| 718 | I | 91.4 | Very high | 88.2 | Confident | 4 Ų | 4 | 56.8 Ų | 56.8 | 2% | 0.021 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -69.1 | -41.5 | 175.5 | -67.8 | 161.2 | 0 | 0 | 0 | 111.6 | Y714 K715 L721 N722 L734 Y737 I739 I744 M746 | Y714-I718 WeakPolarHBondContact O-CD1 3.04Å; Y714-I718 VanDerWaalsContact O-CG1 3.22Å; Y714-I718 WeakPolarHBondContact O-CG1 3.42Å; Y714-I718 PolarHBondContact O-N 3.47Å; K715-I718 PolarHBondContact O-N 3.3Å; K715-I718 VanDerWaalsContact O-N 3.09Å; I718-L721 PolarHBondContact O-N 3.31Å; I718-N722 VanDerWaalsContact O-CB 3.29Å; I718-N722 WeakPolarHBondContact O-CB 3.43Å; I718-N722 PolarHBondContact O-N 3.09Å; I718-L734 HydrophobicContact CG2-CD2 4.34Å; I718-Y737 HydrophobicContact CG2-CD1 3.97Å; I718-Y737 HydrophobicContact CG2-CD2 3.69Å; I718-Y737 HydrophobicContact CG2-CE1 4.14Å; I718-Y737 HydrophobicContact CG2-CE2 3.86Å; I718-Y737 HydrophobicContact CG2-CG 3.74Å; I718-I739 HydrophobicContact CD1-CD1 3.96Å; I718-I739 HydrophobicContact CD1-CG1 4.3Å; I718-I744 HydrophobicContact CD1-CD1 4.04Å; I718-I744 HydrophobicContact CD1-CG2 3.7Å; I718-M746 HydrophobicContact CD1-CE 4.47Å; I718-M746 HydrophobicContact CD1-CG 4.16Å; I718-M746 HydrophobicContact CD1-SD 3.96Å; I718-M746 HydrophobicContact CG1-CG 4.16Å; I718-M746 HydrophobicContact CG1-SD 3.71Å |
| 719 | E | 91.6 | Very high | 89 | Confident | 112 Ų | 112 | 56.7 Ų | 56.7 | 52% | 0.523 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -64.5 | -44.6 | 177.4 | -74.1 | 179.1 | -164.6 | 0 | 0 | 111.5 | K715 N716 N722 H723 | K715-E719 WeakPolarHBondContact O-CG 3.32Å; K715-E719 PolarHBondContact O-N 3.4Å; N716-E719 PolarHBondContact O-N 2.5Å; E719-N722 PolarHBondContact O-N 3.35Å; E719-H723 WeakPolarHBondContact O-CB 3.32Å; E719-H723 PolarHBondContact O-N 3.22Å |
| 720 | H | 90.7 | Very high | 90 | Very high | 68 Ų | 68 | 53 Ų | 53 | 32% | 0.315 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -61.7 | -42 | 170.7 | -72.8 | -53.4 | 0 | 0 | 0 | 112 | N716 N722 H723 L724 I789 F811 | N716-H720 WeakPolarHBondContact O-CB 3.38Å; N716-H720 PolarHBondContact O-CD2 2.9Å; N716-H720 PolarHBondContact O-N 2.71Å; H720-N722 VanDerWaalsContact C-N 3.34Å; H720-N722 PolarHBondContact O-N 3.26Å; H720-H723 PolarHBondContact O-N 3.11Å; H720-L724 WeakPolarHBondContact O-CB 3.42Å; H720-L724 VanDerWaalsContact O-CG 3.27Å; H720-L724 WeakPolarHBondContact O-CG 3.5Å; H720-L724 PolarHBondContact O-N 2.97Å; H720-I789 HydrophobicContact CB-CD1 3.84Å; H720-F811 HydrophobicContact CB-CD2 4.02Å; H720-F811 HydrophobicContact CB-CE2 3.93Å |
| 721 | L | 93.1 | Very high | 90.9 | Very high | 8 Ų | 8 | 52 Ų | 52 | 4% | 0.042 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -65.1 | -40.4 | -178.7 | 179 | 60 | 0 | 0 | 0 | 111.2 | E717 I718 Q725 I731 I732 L734 F811 | E717-L721 VanDerWaalsContact O-CB 3.23Å; E717-L721 WeakPolarHBondContact O-CB 3.33Å; E717-L721 PolarHBondContact O-N 3.31Å; I718-L721 PolarHBondContact O-N 3.31Å; L721-Q725 WeakPolarHBondContact O-CG 3.49Å; L721-Q725 PolarHBondContact O-NE2 3.39Å; L721-I731 HydrophobicContact CD1-CG2 3.56Å; L721-I732 HydrophobicContact CD1-CG2 4.04Å; L721-I732 HydrophobicContact CD2-CG2 4.43Å; L721-L734 HydrophobicContact CB-CD2 4.49Å; L721-L734 HydrophobicContact CD2-CB 4.26Å; L721-L734 HydrophobicContact CD2-CD1 4.41Å; L721-L734 HydrophobicContact CD2-CD2 4.19Å; L721-L734 HydrophobicContact CG-CB 4.19Å; L721-L734 HydrophobicContact CG-CD2 4.15Å; L721-F811 HydrophobicContact CB-CE2 3.95Å; L721-F811 HydrophobicContact CB-CZ 4.3Å; L721-F811 HydrophobicContact CD1-CE2 4.32Å; L721-F811 HydrophobicContact CD1-CZ 3.8Å |
| 722 | N | 92.7 | Very high | 91.5 | Very high | 78 Ų | 78 | 50.4 Ų | 50.4 | 42% | 0.417 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -67 | -43.6 | 174.7 | -170.6 | 44.3 | 0 | 0 | 0 | 112 | I718 E719 H720 L724 Q725 L734 | I718-N722 VanDerWaalsContact O-CB 3.29Å; I718-N722 WeakPolarHBondContact O-CB 3.43Å; I718-N722 PolarHBondContact O-N 3.09Å; E719-N722 PolarHBondContact O-N 3.35Å; H720-N722 VanDerWaalsContact C-N 3.34Å; H720-N722 PolarHBondContact O-N 3.26Å; N722-L724 VanDerWaalsContact C-N 3.34Å; N722-L724 PolarHBondContact O-N 3.15Å; N722-Q725 VanDerWaalsContact O-CG 3.26Å; N722-Q725 WeakPolarHBondContact O-CG 3.35Å; N722-L734 HydrophobicContact CB-CD2 4.1Å |
| 723 | H | 91.8 | Very high | 92 | Very high | 84 Ų | 84 | 49.7 Ų | 49.7 | 39% | 0.389 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -63.2 | -38.5 | 176.6 | -179.9 | -97.8 | 0 | 0 | 0 | 112.5 | E719 H720 Q725 Y727 H787 | E719-H723 WeakPolarHBondContact O-CB 3.32Å; E719-H723 PolarHBondContact O-N 3.22Å; H720-H723 PolarHBondContact O-N 3.11Å; H723-Q725 VanDerWaalsContact C-N 3.31Å; H723-Q725 PolarHBondContact O-N 3.22Å; H723-Y727 AromaticContact CE1-CE2 3.41Å; H723-Y727 VanDerWaalsContact CE1-CE2 3.41Å; H723-Y727 WeakPolarHBondContact CE1-CE2 3.28Å; H723-Y727 AromaticContact CE1-CZ 3.79Å; H723-Y727 PolarHBondContact CE1-OH 3.24Å; H723-Y727 AromaticContact ND1-CE2 3.82Å; H723-Y727 AromaticContact NE2-CE2 3.93Å; H723-Y727 WeakPolarHBondContact O-CD2 3.26Å; H723-Y727 WeakPolarHBondContact O-CE2 3.33Å; H723-H787 AromaticContact CE1-CD2 3.87Å |
| 724 | L | 93.6 | Very high | 92.7 | Very high | 1 Ų | 1 | 50.2 Ų | 50.2 | 1% | 0.005 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -76.7 | -12.5 | -174.8 | -71.6 | 178.4 | 0 | 0 | 0 | 114.9 | H720 N722 Q726 Y727 T783 I784 H787 I789 F811 | H720-L724 WeakPolarHBondContact O-CB 3.42Å; H720-L724 VanDerWaalsContact O-CG 3.27Å; H720-L724 WeakPolarHBondContact O-CG 3.5Å; H720-L724 PolarHBondContact O-N 2.97Å; N722-L724 VanDerWaalsContact C-N 3.34Å; N722-L724 PolarHBondContact O-N 3.15Å; L724-Q726 PolarHBondContact O-N 2.91Å; L724-Q726 VanDerWaalsContact O-N 3.07Å; L724-Y727 HydrophobicContact CD2-CD2 4.18Å; L724-Y727 PolarHBondContact O-N 3.49Å; L724-T783 HydrophobicContact CD2-CG2 4.3Å; L724-I784 HydrophobicContact CD1-CG2 3.83Å; L724-H787 HydrophobicContact CD2-CB 4.06Å; L724-H787 VanDerWaalsContact CD2-ND1 3.25Å; L724-H787 WeakPolarHBondContact CD2-ND1 3.49Å; L724-I789 HydrophobicContact CD1-CD1 3.88Å; L724-F811 HydrophobicContact CD1-CE1 4.27Å; L724-F811 HydrophobicContact CD1-CE2 3.76Å; L724-F811 HydrophobicContact CD1-CZ 3.57Å |
| 725 | Q | 92.7 | Very high | 93.1 | Very high | 49 Ų | 49 | 54.3 Ų | 54.3 | 23% | 0.229 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.1 | -33.1 | -180 | -63.2 | -61.8 | -66.2 | 0 | 0 | 114 | L721 N722 H723 I732 | L721-Q725 WeakPolarHBondContact O-CG 3.49Å; L721-Q725 PolarHBondContact O-NE2 3.39Å; N722-Q725 VanDerWaalsContact O-CG 3.26Å; N722-Q725 WeakPolarHBondContact O-CG 3.35Å; H723-Q725 VanDerWaalsContact C-N 3.31Å; H723-Q725 PolarHBondContact O-N 3.22Å; Q725-I732 PolarHBondContact NE2-O 3.45Å |
| 726 | Q | 92.3 | Very high | 93.4 | Very high | 144 Ų | 144 | 52.1 Ų | 52.1 | 67% | 0.673 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85 | -6.3 | -176.1 | 67.3 | -175.4 | -22.2 | 0 | 0 | 114.7 | L724 | L724-Q726 PolarHBondContact O-N 2.91Å; L724-Q726 VanDerWaalsContact O-N 3.07Å |
| 727 | Y | 93.8 | Very high | 93.8 | Very high | 114 Ų | 114 | 52.4 Ų | 52.4 | 45% | 0.447 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -107.1 | -23.1 | -171.5 | -62.7 | -87.7 | 0 | 0 | 0 | 114.8 | H723 L724 H787 | H723-Y727 AromaticContact CE1-CE2 3.41Å; H723-Y727 VanDerWaalsContact CE1-CE2 3.41Å; H723-Y727 WeakPolarHBondContact CE1-CE2 3.28Å; H723-Y727 AromaticContact CE1-CZ 3.79Å; H723-Y727 PolarHBondContact CE1-OH 3.24Å; H723-Y727 AromaticContact ND1-CE2 3.82Å; H723-Y727 AromaticContact NE2-CE2 3.93Å; H723-Y727 WeakPolarHBondContact O-CD2 3.26Å; H723-Y727 WeakPolarHBondContact O-CE2 3.33Å; L724-Y727 HydrophobicContact CD2-CD2 4.18Å; L724-Y727 PolarHBondContact O-N 3.49Å; Y727-H787 AromaticContact CD1-CE1 3.69Å; Y727-H787 AromaticContact CD1-NE2 3.78Å; Y727-H787 AromaticContact CD2-CE1 3.88Å; Y727-H787 AromaticContact CD2-NE2 3.88Å; Y727-H787 AromaticContact CE1-CE1 3.92Å; Y727-H787 AromaticContact CE1-NE2 3.51Å; Y727-H787 AromaticContact CE2-NE2 3.6Å; Y727-H787 AromaticContact CG-CE1 3.66Å; Y727-H787 AromaticContact CG-NE2 3.95Å; Y727-H787 AromaticContact CZ-NE2 3.4Å |
| 728 | S | 94.8 | Very high | 94.1 | Very high | 14 Ų | 14 | 53.5 Ų | 53.5 | 10% | 0.098 | 25% | 0.246 | C | C | . | . | trans | -160.6 | 130.1 | -179 | 168.4 | 0 | 0 | 0 | 0 | 112.4 | Q730 I731 T783 | S728-Q730 PolarHBondContact O-N 2.72Å; S728-Q730 WeakPolarHBondContact OG-CB 3.08Å; S728-Q730 PolarHBondContact OG-N 3.05Å; S728-Q730 PolarHBondContact OG-OE1 3.11Å; S728-I731 PolarHBondContact O-N 3.05Å; S728-T783 WeakPolarHBondContact CB-OG1 3.4Å | ||
| 729 | D | 94.7 | Very high | 94.1 | Very high | 78 Ų | 78 | 56.2 Ų | 56.2 | 42% | 0.417 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -9.9 | 170.1 | -87.1 | -66.7 | 0 | 0 | 0 | 113.6 | I731 K733 K807 | D729-I731 VanDerWaalsContact C-N 3.28Å; D729-K733 WeakPolarHBondContact OD1-CE 3.38Å; D729-K733 IonicContact OD1-NZ 2.71Å; D729-K733 PolarHBondContact OD1-NZ 3.27Å; D729-K807 WeakPolarHBondContact O-CD 3.44Å; D729-K807 WeakPolarHBondContact O-CE 3.24Å; D729-K807 PolarHBondContact O-NZ 3.26Å |
| 730 | Q | 97.2 | Very high | 94 | Very high | 37 Ų | 37 | 52.9 Ų | 52.9 | 17% | 0.173 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | 5.2 | 175.9 | -59.8 | 72.5 | 30.9 | 0 | 0 | 112.6 | S728 N776 E779 A780 K807 L808 | S728-Q730 PolarHBondContact O-N 2.72Å; S728-Q730 WeakPolarHBondContact OG-CB 3.08Å; S728-Q730 PolarHBondContact OG-N 3.05Å; S728-Q730 PolarHBondContact OG-OE1 3.11Å; Q730-N776 HydrophobicContact CG-CB 4.11Å; Q730-E779 HydrophobicContact CB-CB 4.48Å; Q730-E779 HydrophobicContact CG-CB 4.06Å; Q730-A780 HydrophobicContact CB-CB 3.96Å; Q730-A780 WeakPolarHBondContact O-CB 3.43Å; Q730-K807 CarbonylContact O-C 3.58Å; Q730-K807 WeakPolarHBondContact O-CA 3.39Å; Q730-L808 PolarHBondContact O-N 3.25Å |
| 731 | I | 96.8 | Very high | 93.6 | Very high | 2 Ų | 2 | 57.1 Ų | 57.1 | 1% | 0.01 | 27% | 0.272 | C | S | . | . | B | Isolated β-bridge | trans | -96.6 | 141.9 | 161.7 | -52.5 | -55.6 | 0 | 0 | 0 | 108.1 | L721 S728 D729 A780 I784 L808 F811 | L721-I731 HydrophobicContact CD1-CG2 3.56Å; S728-I731 PolarHBondContact O-N 3.05Å; D729-I731 VanDerWaalsContact C-N 3.28Å; I731-A780 HydrophobicContact CD1-CB 4.13Å; I731-I784 HydrophobicContact CD1-CG2 4.35Å; I731-L808 HydrophobicContact CD1-CB 4.25Å; I731-L808 HydrophobicContact CD1-CD2 4.31Å; I731-F811 HydrophobicContact CD1-CE1 4.3Å; I731-F811 HydrophobicContact CG2-CE1 4.21Å; I731-F811 HydrophobicContact CG2-CZ 4.01Å |
| 732 | I | 96.4 | Very high | 93.3 | Very high | 4 Ų | 4 | 59.2 Ų | 59.2 | 2% | 0.021 | 29% | 0.287 | C | S | . | . | P | Polyproline II helix | trans | -60.5 | 138 | 178.6 | -162.9 | 63.7 | 0 | 0 | 0 | 110.6 | L721 Q725 L734 E749 V802 K807 L808 I809 | L721-I732 HydrophobicContact CD1-CG2 4.04Å; L721-I732 HydrophobicContact CD2-CG2 4.43Å; Q725-I732 PolarHBondContact NE2-O 3.45Å; I732-L734 PolarHBondContact O-N 2.91Å; I732-E749 HydrophobicContact CD1-CB 3.94Å; I732-E749 HydrophobicContact CD1-CG 4.31Å; I732-E749 HydrophobicContact CG1-CB 4.36Å; I732-V802 HydrophobicContact CD1-CG2 3.95Å; I732-K807 HydrophobicContact CD1-CB 4.4Å; I732-K807 HydrophobicContact CD1-CD 4.21Å; I732-L808 PolarHBondContact N-O 3.25Å; I732-I809 HydrophobicContact CB-CG2 4.26Å; I732-I809 HydrophobicContact CG1-CG2 4.41Å; I732-I809 HydrophobicContact CG2-CB 4.33Å |
| 733 | K | 95.9 | Very high | 93.2 | Very high | 66 Ų | 66 | 58.8 Ų | 58.8 | 29% | 0.287 | 28% | 0.28 | S | S | . | . | P | Polyproline II helix | trans | -76.1 | 126.7 | 179.9 | -68.3 | -179 | 176.3 | 179.2 | 0 | 111.9 | D729 Y735 M748 E749 | D729-K733 WeakPolarHBondContact OD1-CE 3.38Å; D729-K733 IonicContact OD1-NZ 2.71Å; D729-K733 PolarHBondContact OD1-NZ 3.27Å; K733-Y735 HydrophobicContact CB-CE1 4.44Å; K733-M748 CarbonylContact O-C 3.22Å; K733-M748 WeakPolarHBondContact O-CA 3.41Å; K733-E749 HydrophobicContact CB-CB 3.96Å; K733-E749 WeakPolarHBondContact CB-OE2 3.46Å; K733-E749 PolarHBondContact N-OE2 2.84Å; K733-E749 VanDerWaalsContact N-OE2 3.12Å; K733-E749 PolarHBondContact O-N 3.48Å |
| 734 | L | 96.5 | Very high | 93.2 | Very high | 13 Ų | 13 | 54.8 Ų | 54.8 | 7% | 0.068 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 112.9 | 173.6 | -179.3 | 69.3 | 0 | 0 | 0 | 107.9 | I718 L721 N722 I732 Y737 M746 M748 | I718-L734 HydrophobicContact CG2-CD2 4.34Å; L721-L734 HydrophobicContact CB-CD2 4.49Å; L721-L734 HydrophobicContact CD2-CB 4.26Å; L721-L734 HydrophobicContact CD2-CD1 4.41Å; L721-L734 HydrophobicContact CD2-CD2 4.19Å; L721-L734 HydrophobicContact CG-CB 4.19Å; L721-L734 HydrophobicContact CG-CD2 4.15Å; N722-L734 HydrophobicContact CB-CD2 4.1Å; I732-L734 PolarHBondContact O-N 2.91Å; L734-Y737 HydrophobicContact CD2-CD1 4.04Å; L734-M746 HydrophobicContact CD1-CB 3.96Å; L734-M746 HydrophobicContact CD1-CG 4.26Å; L734-M748 HydrophobicContact CD1-CG 4.09Å |
| 735 | Y | 95.3 | Very high | 93.4 | Very high | 120 Ų | 120 | 56.9 Ų | 56.9 | 47% | 0.471 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | -34.4 | -176.7 | -63.5 | -69 | 0 | 0 | 0 | 113.2 | F696 K733 L747 E749 | F696-Y735 AromaticContact CD1-CD2 3.57Å; F696-Y735 HydrophobicContact CD1-CD2 3.57Å; F696-Y735 AromaticContact CD1-CE2 3.6Å; F696-Y735 HydrophobicContact CD1-CE2 3.6Å; F696-Y735 HydrophobicContact CD1-CG 4.49Å; F696-Y735 AromaticContact CE1-CD2 3.61Å; F696-Y735 HydrophobicContact CE1-CD2 3.61Å; F696-Y735 AromaticContact CE1-CE2 3.57Å; F696-Y735 HydrophobicContact CE1-CE2 3.57Å; F696-Y735 HydrophobicContact CE1-CG 4.19Å; K733-Y735 HydrophobicContact CB-CE1 4.44Å; Y735-L747 PolarHBondContact N-O 3.07Å; Y735-E749 HydrophobicContact CE2-CB 4.01Å |
| 736 | D | 95 | Very high | 93.5 | Very high | 18 Ų | 18 | 54.9 Ų | 54.9 | 10% | 0.096 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.1 | 162.3 | 178.4 | -145.1 | -26.8 | 0 | 0 | 0 | 110.3 | K667 K669 L747 | K667-D736 WeakPolarHBondContact CD-OD1 3.21Å; K667-D736 WeakPolarHBondContact CE-OD1 3.12Å; K667-D736 IonicContact NZ-OD1 2.71Å; K667-D736 PolarHBondContact NZ-OD1 3.23Å; K669-D736 IonicContact NZ-OD2 3.35Å; K669-D736 PolarHBondContact NZ-OD2 3.27Å; D736-L747 HydrophobicContact CB-CB 4.1Å; D736-L747 HydrophobicContact CB-CD2 4Å; D736-L747 PolarHBondContact N-O 2.88Å; D736-L747 WeakPolarHBondContact O-CB 3.41Å; D736-L747 PolarHBondContact O-N 2.89Å |
| 737 | Y | 95.2 | Very high | 93.7 | Very high | 67 Ų | 67 | 48.4 Ų | 48.4 | 26% | 0.263 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.6 | 147.1 | 173.7 | 64.4 | -86.7 | 0 | 0 | 0 | 111.7 | K667 I718 L734 I739 Y745 | K667-Y737 WeakPolarHBondContact CE-O 3.46Å; K667-Y737 PolarHBondContact NZ-O 3.46Å; I718-Y737 HydrophobicContact CG2-CD1 3.97Å; I718-Y737 HydrophobicContact CG2-CD2 3.69Å; I718-Y737 HydrophobicContact CG2-CE1 4.14Å; I718-Y737 HydrophobicContact CG2-CE2 3.86Å; I718-Y737 HydrophobicContact CG2-CG 3.74Å; L734-Y737 HydrophobicContact CD2-CD1 4.04Å; Y737-I739 HydrophobicContact CD2-CD1 3.8Å; Y737-I739 HydrophobicContact CD2-CG1 4.11Å; Y737-I739 HydrophobicContact CE2-CD1 3.9Å; Y737-Y745 CarbonylContact C-O 3.48Å; Y737-Y745 WeakPolarHBondContact CA-O 3.42Å; Y737-Y745 WeakPolarHBondContact CB-O 3.41Å |
| 738 | E | 94.6 | Very high | 93.8 | Very high | 42 Ų | 42 | 43.8 Ų | 43.8 | 20% | 0.196 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 132.1 | 176.1 | -172.9 | 174.7 | 113.7 | 0 | 0 | 109.1 | I666 K667 Y743 I744 Y745 | I666-E738 HydrophobicContact CG2-CB 3.93Å; K667-E738 PolarHBondContact N-OE2 3.29Å; E738-Y743 PolarHBondContact OE1-OH 3.43Å; E738-I744 CarbonylContact O-C 3.58Å; E738-I744 WeakPolarHBondContact O-CA 3.47Å; E738-Y745 PolarHBondContact N-O 3.03Å; E738-Y745 PolarHBondContact O-N 3.35Å |
| 739 | I | 91.7 | Very high | 93.8 | Very high | 62 Ų | 62 | 44.3 Ų | 44.3 | 32% | 0.318 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 129.5 | -177.7 | -63.4 | 165 | 0 | 0 | 0 | 107.3 | I718 Y737 I744 | I718-I739 HydrophobicContact CD1-CD1 3.96Å; I718-I739 HydrophobicContact CD1-CG1 4.3Å; Y737-I739 HydrophobicContact CD2-CD1 3.8Å; Y737-I739 HydrophobicContact CD2-CG1 4.11Å; Y737-I739 HydrophobicContact CE2-CD1 3.9Å; I739-I744 HydrophobicContact CG1-CG1 4.24Å; I739-I744 HydrophobicContact CG1-CG2 3.98Å; I739-I744 HydrophobicContact CG2-CG1 4.39Å |
| 740 | T | 89.7 | Confident | 93.8 | Very high | 42 Ų | 42 | 41.4 Ų | 41.4 | 26% | 0.258 | 20% | 0.2 | S | C | . | . | trans | -130.2 | 178 | 174.7 | 71 | 0 | 0 | 0 | 0 | 110 | L703 S742 Y743 | L703-T740 WeakPolarHBondContact CD1-O 3.49Å; T740-S742 PolarHBondContact O-N 3.21Å; T740-S742 PolarHBondContact OG1-N 3.34Å; T740-Y743 HydrophobicContact CG2-CD2 4.26Å; T740-Y743 HydrophobicContact CG2-CE1 4.12Å; T740-Y743 HydrophobicContact CG2-CE2 3.64Å; T740-Y743 PolarHBondContact N-O 3.47Å; T740-Y743 WeakPolarHBondContact OG1-CD1 3.42Å; T740-Y743 WeakPolarHBondContact OG1-CE1 3.43Å; T740-Y743 PolarHBondContact OG1-N 2.71Å; T740-Y743 PolarHBondContact OG1-O 3.35Å | ||
| 741 | N | 82.6 | Confident | 93.5 | Very high | 157 Ų | 157 | 40.5 Ų | 40.5 | 84% | 0.84 | 20% | 0.201 | S | C | * | . | S | Bend | trans | -70.1 | -9.9 | 173.8 | -62.6 | -9.3 | 0 | 0 | 0 | 113.3 | ||
| 742 | S | 85.4 | Confident | 93 | Very high | 51 Ų | 51 | 45.9 Ų | 45.9 | 36% | 0.357 | 23% | 0.229 | S | C | . | . | S | Bend | trans | -118.9 | -22.5 | -173.9 | -58.4 | 0 | 0 | 0 | 0 | 113.5 | N702 L703 T740 | N702-S742 PolarHBondContact OD1-O 3.17Å; L703-S742 PolarHBondContact N-O 3.32Å; T740-S742 PolarHBondContact O-N 3.21Å; T740-S742 PolarHBondContact OG1-N 3.34Å |
| 743 | Y | 90.8 | Very high | 92.6 | Very high | 70 Ų | 70 | 48.6 Ų | 48.6 | 28% | 0.275 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.5 | 166.8 | -178.7 | 58.8 | -98.1 | 0 | 0 | 0 | 113.7 | Y700 V701 E738 T740 Y745 | Y700-Y743 VanDerWaalsContact CE2-CB 3.46Å; Y700-Y743 HydrophobicContact CE2-CG 4.13Å; V701-Y743 CarbonylContact O-C 3.59Å; V701-Y743 WeakPolarHBondContact O-CA 3.48Å; V701-Y743 WeakPolarHBondContact O-CB 3.27Å; E738-Y743 PolarHBondContact OE1-OH 3.43Å; T740-Y743 HydrophobicContact CG2-CD2 4.26Å; T740-Y743 HydrophobicContact CG2-CE1 4.12Å; T740-Y743 HydrophobicContact CG2-CE2 3.64Å; T740-Y743 PolarHBondContact N-O 3.47Å; T740-Y743 WeakPolarHBondContact OG1-CD1 3.42Å; T740-Y743 WeakPolarHBondContact OG1-CE1 3.43Å; T740-Y743 PolarHBondContact OG1-N 2.71Å; T740-Y743 PolarHBondContact OG1-O 3.35Å; Y743-Y745 AromaticContact CD2-CD2 3.69Å; Y743-Y745 HydrophobicContact CD2-CD2 3.69Å; Y743-Y745 AromaticContact CD2-CE2 3.74Å; Y743-Y745 HydrophobicContact CD2-CE2 3.74Å; Y743-Y745 AromaticContact CE2-CD2 3.62Å; Y743-Y745 HydrophobicContact CE2-CD2 3.62Å; Y743-Y745 AromaticContact CE2-CE2 3.63Å; Y743-Y745 HydrophobicContact CE2-CE2 3.63Å |
| 744 | I | 93.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 138.3 | 164 | -53.1 | 179.9 | 0 | 0 | 0 | 109.1 | Y700 V701 L703 Y714 I718 E738 I739 M746 | Y700-I744 CarbonylContact C-O 3.49Å; Y700-I744 VanDerWaalsContact CA-O 3.31Å; Y700-I744 WeakPolarHBondContact CA-O 3.32Å; V701-I744 HydrophobicContact CB-CB 4.16Å; V701-I744 HydrophobicContact CG2-CB 4.42Å; V701-I744 PolarHBondContact N-O 3.23Å; V701-I744 PolarHBondContact O-N 2.75Å; L703-I744 HydrophobicContact CD1-CD1 4.14Å; L703-I744 HydrophobicContact CD1-CG1 3.7Å; L703-I744 HydrophobicContact CD2-CD1 4.27Å; L703-I744 HydrophobicContact CD2-CG1 4.33Å; L703-I744 HydrophobicContact CG-CG1 4.15Å; Y714-I744 VanDerWaalsContact CB-CD1 3.47Å; Y714-I744 HydrophobicContact CD2-CD1 4.33Å; Y714-I744 HydrophobicContact CG-CD1 4.02Å; I718-I744 HydrophobicContact CD1-CD1 4.04Å; I718-I744 HydrophobicContact CD1-CG2 3.7Å; E738-I744 CarbonylContact O-C 3.58Å; E738-I744 WeakPolarHBondContact O-CA 3.47Å; I739-I744 HydrophobicContact CG1-CG1 4.24Å; I739-I744 HydrophobicContact CG1-CG2 3.98Å; I739-I744 HydrophobicContact CG2-CG1 4.39Å; I744-M746 HydrophobicContact CG2-CE 3.88Å; I744-M746 HydrophobicContact CG2-CG 4.15Å |
| 745 | Y | 95.9 | Very high | 92.3 | Very high | 44 Ų | 44 | 46.8 Ų | 46.8 | 17% | 0.173 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 133.1 | 158.8 | -71.9 | -66.3 | 0 | 0 | 0 | 110 | I664 I666 V698 K699 Y700 Y737 E738 Y743 | I664-Y745 HydrophobicContact CD1-CE1 4.21Å; I664-Y745 HydrophobicContact CG2-CD1 3.87Å; I664-Y745 HydrophobicContact CG2-CD2 4.32Å; I664-Y745 HydrophobicContact CG2-CE1 3.48Å; I664-Y745 VanDerWaalsContact CG2-CE1 3.48Å; I664-Y745 HydrophobicContact CG2-CE2 4Å; I664-Y745 HydrophobicContact CG2-CG 4.27Å; I666-Y745 HydrophobicContact CD1-CG 4.4Å; I666-Y745 HydrophobicContact CG1-CD2 4.44Å; I666-Y745 HydrophobicContact CG1-CG 4.23Å; V698-Y745 HydrophobicContact CG1-CD1 3.58Å; V698-Y745 HydrophobicContact CG1-CE1 4.23Å; V698-Y745 HydrophobicContact CG1-CG 4.44Å; K699-Y745 WeakPolarHBondContact O-CA 3.35Å; Y700-Y745 AromaticContact CD2-CD1 3.92Å; Y700-Y745 HydrophobicContact CD2-CD1 3.92Å; Y700-Y745 AromaticContact CD2-CE1 3.39Å; Y700-Y745 HydrophobicContact CD2-CE1 3.39Å; Y700-Y745 HydrophobicContact CD2-CE2 4.46Å; Y700-Y745 AromaticContact CD2-CZ 3.69Å; Y700-Y745 HydrophobicContact CE2-CE1 4.3Å; Y700-Y745 HydrophobicContact CG-CD1 4.5Å; Y700-Y745 HydrophobicContact CG-CE1 4.03Å; Y737-Y745 CarbonylContact C-O 3.48Å; Y737-Y745 WeakPolarHBondContact CA-O 3.42Å; Y737-Y745 WeakPolarHBondContact CB-O 3.41Å; E738-Y745 PolarHBondContact N-O 3.03Å; E738-Y745 PolarHBondContact O-N 3.35Å; Y743-Y745 AromaticContact CD2-CD2 3.69Å; Y743-Y745 HydrophobicContact CD2-CD2 3.69Å; Y743-Y745 AromaticContact CD2-CE2 3.74Å; Y743-Y745 HydrophobicContact CD2-CE2 3.74Å; Y743-Y745 AromaticContact CE2-CD2 3.62Å; Y743-Y745 HydrophobicContact CE2-CD2 3.62Å; Y743-Y745 AromaticContact CE2-CE2 3.63Å; Y743-Y745 HydrophobicContact CE2-CE2 3.63Å |
| 746 | M | 95.6 | Very high | 92.1 | Very high | 8 Ų | 8 | 43.5 Ų | 43.5 | 4% | 0.039 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 120.2 | 168 | -70.4 | 158.7 | -86.2 | 0 | 0 | 108.9 | V698 K699 V701 I718 L734 I744 M748 | V698-M746 WeakPolarHBondContact CA-O 3.46Å; K699-M746 HydrophobicContact CB-CB 4.34Å; K699-M746 HydrophobicContact CB-CE 4.19Å; K699-M746 HydrophobicContact CD-CE 3.68Å; K699-M746 HydrophobicContact CD-SD 4.26Å; K699-M746 HydrophobicContact CG-CE 3.73Å; K699-M746 PolarHBondContact N-O 2.75Å; K699-M746 PolarHBondContact O-N 3.28Å; V701-M746 HydrophobicContact CG2-CE 3.8Å; I718-M746 HydrophobicContact CD1-CE 4.47Å; I718-M746 HydrophobicContact CD1-CG 4.16Å; I718-M746 HydrophobicContact CD1-SD 3.96Å; I718-M746 HydrophobicContact CG1-CG 4.16Å; I718-M746 HydrophobicContact CG1-SD 3.71Å; L734-M746 HydrophobicContact CD1-CB 3.96Å; L734-M746 HydrophobicContact CD1-CG 4.26Å; I744-M746 HydrophobicContact CG2-CE 3.88Å; I744-M746 HydrophobicContact CG2-CG 4.15Å; M746-M748 HydrophobicContact CB-CG 4.18Å; M746-M748 HydrophobicContact CB-SD 4.28Å |
| 747 | L | 96.9 | Very high | 91.8 | Very high | 7 Ų | 7 | 44 Ų | 44 | 4% | 0.037 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 116.3 | 175.1 | -179.6 | 72.2 | 0 | 0 | 0 | 109.2 | I666 F671 F696 V698 Y735 D736 | I666-L747 HydrophobicContact CD1-CB 4.09Å; I666-L747 HydrophobicContact CD1-CD1 4.47Å; F671-L747 HydrophobicContact CD1-CD1 4.09Å; F671-L747 HydrophobicContact CE1-CD1 3.73Å; F671-L747 HydrophobicContact CE1-CD2 3.86Å; F671-L747 HydrophobicContact CE1-CG 4.47Å; F671-L747 HydrophobicContact CE2-CD1 4.32Å; F671-L747 HydrophobicContact CE2-CD2 4.15Å; F671-L747 HydrophobicContact CZ-CD1 3.87Å; F671-L747 HydrophobicContact CZ-CD2 3.4Å; F671-L747 HydrophobicContact CZ-CG 4.28Å; F696-L747 HydrophobicContact CB-CD1 3.64Å; F696-L747 HydrophobicContact CD1-CD1 4.29Å; F696-L747 HydrophobicContact CD1-CG 4.43Å; F696-L747 HydrophobicContact CG-CD1 3.94Å; V698-L747 HydrophobicContact CG2-CD1 3.67Å; Y735-L747 PolarHBondContact N-O 3.07Å; D736-L747 HydrophobicContact CB-CB 4.1Å; D736-L747 HydrophobicContact CB-CD2 4Å; D736-L747 PolarHBondContact N-O 2.88Å; D736-L747 WeakPolarHBondContact O-CB 3.41Å; D736-L747 PolarHBondContact O-N 2.89Å |
| 748 | M | 96.6 | Very high | 91.6 | Very high | 17 Ų | 17 | 41.7 Ų | 41.7 | 8% | 0.084 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 165.5 | -168 | -53.2 | -179.1 | -54.3 | 0 | 0 | 112.2 | A697 K699 K733 L734 M746 | A697-M748 HydrophobicContact CB-CB 4.48Å; A697-M748 HydrophobicContact CB-CE 4.4Å; A697-M748 PolarHBondContact N-O 2.85Å; A697-M748 PolarHBondContact O-N 3.01Å; K699-M748 HydrophobicContact CB-CE 3.65Å; K699-M748 HydrophobicContact CB-SD 4.4Å; K699-M748 HydrophobicContact CD-CE 4.36Å; K733-M748 CarbonylContact O-C 3.22Å; K733-M748 WeakPolarHBondContact O-CA 3.41Å; L734-M748 HydrophobicContact CD1-CG 4.09Å; M746-M748 HydrophobicContact CB-CG 4.18Å; M746-M748 HydrophobicContact CB-SD 4.28Å |
| 749 | E | 94.9 | Very high | 91.4 | Very high | 25 Ų | 25 | 40.8 Ų | 40.8 | 12% | 0.117 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.8 | 127.5 | 169.1 | -178.3 | 175.3 | -147.1 | 0 | 0 | 111.8 | I732 K733 Y735 G751 V802 K807 | I732-E749 HydrophobicContact CD1-CB 3.94Å; I732-E749 HydrophobicContact CD1-CG 4.31Å; I732-E749 HydrophobicContact CG1-CB 4.36Å; K733-E749 HydrophobicContact CB-CB 3.96Å; K733-E749 WeakPolarHBondContact CB-OE2 3.46Å; K733-E749 PolarHBondContact N-OE2 2.84Å; K733-E749 VanDerWaalsContact N-OE2 3.12Å; K733-E749 PolarHBondContact O-N 3.48Å; Y735-E749 HydrophobicContact CE2-CB 4.01Å; E749-G751 PolarHBondContact O-N 3.02Å; E749-V802 HydrophobicContact CG-CG1 3.76Å; E749-V802 HydrophobicContact CG-CG2 4.42Å; E749-K807 IonicContact OE1-NZ 3.8Å; E749-K807 PolarHBondContact OE1-NZ 3.06Å; E749-K807 WeakPolarHBondContact OE2-CD 3.47Å; E749-K807 WeakPolarHBondContact OE2-CE 3.47Å; E749-K807 IonicContact OE2-NZ 3.92Å; E749-K807 PolarHBondContact OE2-NZ 2.99Å |
| 750 | C | 93.8 | Very high | 91.2 | Very high | 17 Ų | 17 | 46 Ų | 46 | 12% | 0.115 | 23% | 0.234 | C | C | . | . | trans | -80.9 | 114.9 | 177.9 | -168.9 | 0 | 0 | 0 | 0 | 110.5 | Q687 L695 | Q687-C750 PolarHBondContact NE2-SG 3.38Å; L695-C750 HydrophobicContact CD2-CB 4.12Å; L695-C750 HydrophobicContact CG-CB 3.86Å | ||
| 751 | G | 89.9 | Confident | 91 | Very high | 19 Ų | 19 | 49.5 Ų | 49.5 | 20% | 0.196 | 25% | 0.252 | C | S | . | . | trans | -75.6 | 169.8 | 168 | 0 | 0 | 0 | 0 | 0 | 113.9 | E749 I801 | E749-G751 PolarHBondContact O-N 3.02Å; G751-I801 CarbonylContact C-O 3.51Å; G751-I801 WeakPolarHBondContact CA-O 3.49Å | ||
| 752 | N | 87.6 | Confident | 91 | Very high | 114 Ų | 114 | 46.5 Ų | 46.5 | 61% | 0.61 | 23% | 0.229 | S | C | * | . | S | Bend | trans | -83.4 | -44.4 | 174.9 | -57.9 | 102.9 | 0 | 0 | 0 | 111.6 | I801 N803 | N752-I801 PolarHBondContact N-O 2.94Å; N752-I801 PolarHBondContact OD1-O 3.46Å; N752-N803 PolarHBondContact OD1-N 2.89Å; N752-N803 VanDerWaalsContact OD1-N 3.13Å |
| 753 | L | 88.1 | Confident | 90.4 | Very high | 61 Ų | 61 | 54.3 Ų | 54.3 | 32% | 0.319 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.3 | 151.3 | -178.3 | -162.8 | 59.2 | 0 | 0 | 0 | 110.4 | T757 W758 I801 | L753-T757 HydrophobicContact CD1-CG2 3.83Å; L753-T757 HydrophobicContact CD2-CG2 4.32Å; L753-T757 HydrophobicContact CG-CG2 4.32Å; L753-W758 HydrophobicContact CD2-CB 3.92Å; L753-W758 HydrophobicContact CG-CB 4.42Å; L753-I801 PolarHBondContact O-N 3.22Å |
| 754 | D | 91.8 | Very high | 90 | Very high | 41 Ų | 41 | 56.7 Ų | 56.7 | 22% | 0.219 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 152.9 | 168.1 | 72.3 | 96.7 | 0 | 0 | 0 | 111.6 | N756 T757 W758 V800 | D754-N756 VanDerWaalsContact C-N 3.27Å; D754-N756 PolarHBondContact O-N 2.87Å; D754-N756 WeakPolarHBondContact OD1-CA 3.27Å; D754-N756 WeakPolarHBondContact OD1-CB 3.5Å; D754-N756 PolarHBondContact OD1-N 3.29Å; D754-T757 VanDerWaalsContact CG-OG1 3.28Å; D754-T757 PolarHBondContact O-N 3.39Å; D754-T757 PolarHBondContact OD1-N 3.47Å; D754-T757 PolarHBondContact OD1-OG1 3.04Å; D754-T757 WeakPolarHBondContact OD2-CB 3.36Å; D754-T757 PolarHBondContact OD2-OG1 2.82Å; D754-W758 WeakPolarHBondContact O-CB 3.39Å; D754-W758 PolarHBondContact O-N 3.36Å; D754-V800 HydrophobicContact CB-CG2 4.13Å |
| 755 | L | 93.4 | Very high | 89.8 | Confident | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -67.6 | -26.9 | -176.9 | -179.3 | 68.9 | 0 | 0 | 0 | 111.9 | W758 L759 Y773 M777 P796 F799 L806 I867 | L755-W758 HydrophobicContact CD1-CD2 4.24Å; L755-W758 HydrophobicContact CD1-CE3 3.59Å; L755-W758 HydrophobicContact CD1-CZ3 4Å; L755-L759 HydrophobicContact CD1-CG 4.25Å; L755-L759 HydrophobicContact CG-CD1 4.16Å; L755-L759 HydrophobicContact CG-CG 4.28Å; L755-L759 WeakPolarHBondContact O-CB 3.5Å; L755-L759 WeakPolarHBondContact O-CG 3.38Å; L755-L759 PolarHBondContact O-N 3.26Å; L755-Y773 HydrophobicContact CD1-CD2 4.48Å; L755-M777 HydrophobicContact CD2-SD 3.97Å; L755-P796 HydrophobicContact CB-CB 4.21Å; L755-P796 WeakPolarHBondContact CB-O 3.25Å; L755-P796 HydrophobicContact CD2-CB 4.23Å; L755-P796 HydrophobicContact CG-CB 4.08Å; L755-F799 HydrophobicContact CB-CB 4.1Å; L755-F799 WeakPolarHBondContact CB-O 3.45Å; L755-F799 HydrophobicContact CD2-CB 4.2Å; L755-F799 PolarHBondContact N-O 3.46Å; L755-L806 HydrophobicContact CB-CD2 4.15Å; L755-L806 HydrophobicContact CD1-CD1 4.39Å; L755-L806 HydrophobicContact CD1-CD2 4.28Å; L755-L806 HydrophobicContact CD2-CD1 3.91Å; L755-I867 HydrophobicContact CD2-CG2 4.11Å |
| 756 | N | 91.2 | Very high | 89.6 | Confident | 51 Ų | 51 | 60 Ų | 60 | 27% | 0.273 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -67.8 | -44.1 | 176.4 | -173.6 | 65.4 | 0 | 0 | 0 | 112 | D754 R760 P796 A797 | D754-N756 VanDerWaalsContact C-N 3.27Å; D754-N756 PolarHBondContact O-N 2.87Å; D754-N756 WeakPolarHBondContact OD1-CA 3.27Å; D754-N756 WeakPolarHBondContact OD1-CB 3.5Å; D754-N756 PolarHBondContact OD1-N 3.29Å; N756-R760 PolarHBondContact ND2-NE 3.2Å; N756-R760 WeakPolarHBondContact O-CG 3.36Å; N756-R760 PolarHBondContact O-N 2.84Å; N756-R760 VanDerWaalsContact O-N 3.12Å; N756-R760 PolarHBondContact O-NE 3.43Å; N756-P796 HydrophobicContact CB-CB 3.86Å; N756-P796 PolarHBondContact N-O 3.05Å; N756-A797 HydrophobicContact CB-CB 4.26Å |
| 757 | T | 88.2 | Confident | 89.5 | Confident | 30 Ų | 30 | 62.4 Ų | 62.4 | 18% | 0.184 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -71.5 | -37.2 | 174.6 | -51 | 0 | 0 | 0 | 0 | 111.5 | L753 D754 L759 R760 N761 | L753-T757 HydrophobicContact CD1-CG2 3.83Å; L753-T757 HydrophobicContact CD2-CG2 4.32Å; L753-T757 HydrophobicContact CG-CG2 4.32Å; D754-T757 VanDerWaalsContact CG-OG1 3.28Å; D754-T757 PolarHBondContact O-N 3.39Å; D754-T757 PolarHBondContact OD1-N 3.47Å; D754-T757 PolarHBondContact OD1-OG1 3.04Å; D754-T757 WeakPolarHBondContact OD2-CB 3.36Å; D754-T757 PolarHBondContact OD2-OG1 2.82Å; T757-L759 VanDerWaalsContact C-N 3.33Å; T757-L759 PolarHBondContact O-N 3.01Å; T757-R760 PolarHBondContact O-N 3.31Å; T757-R760 PolarHBondContact OG1-NH2 3.26Å; T757-N761 WeakPolarHBondContact O-CB 3.46Å; T757-N761 PolarHBondContact O-N 3.18Å; T757-N761 PolarHBondContact O-OD1 3Å |
| 758 | W | 91.8 | Very high | 89.3 | Confident | 18 Ų | 18 | 68.1 Ų | 68.1 | 7% | 0.068 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -60.9 | -40.1 | 173.4 | -178 | 97.4 | 0 | 0 | 0 | 112.8 | L753 D754 L755 N761 R762 I765 E769 Y773 I801 M871 | L753-W758 HydrophobicContact CD2-CB 3.92Å; L753-W758 HydrophobicContact CG-CB 4.42Å; D754-W758 WeakPolarHBondContact O-CB 3.39Å; D754-W758 PolarHBondContact O-N 3.36Å; L755-W758 HydrophobicContact CD1-CD2 4.24Å; L755-W758 HydrophobicContact CD1-CE3 3.59Å; L755-W758 HydrophobicContact CD1-CZ3 4Å; W758-N761 PolarHBondContact O-N 2.98Å; W758-R762 VanDerWaalsContact CE2-CZ 3.5Å; W758-R762 VanDerWaalsContact CZ2-NH1 3.33Å; W758-I765 HydrophobicContact CH2-CB 4.39Å; W758-I765 HydrophobicContact CH2-CD1 4.13Å; W758-I765 HydrophobicContact CH2-CG1 3.8Å; W758-I765 HydrophobicContact CH2-CG2 3.8Å; W758-I765 HydrophobicContact CZ3-CD1 3.78Å; W758-I765 HydrophobicContact CZ3-CG1 3.9Å; W758-I765 HydrophobicContact CZ3-CG2 4.48Å; W758-E769 HydrophobicContact CZ2-CG 4.28Å; W758-E769 WeakPolarHBondContact CZ2-OE1 3.35Å; W758-Y773 AromaticContact CE2-CE2 3.96Å; W758-Y773 HydrophobicContact CH2-CD2 4.11Å; W758-Y773 AromaticContact CH2-CE2 3.78Å; W758-Y773 HydrophobicContact CH2-CE2 3.78Å; W758-Y773 HydrophobicContact CZ2-CD2 4.33Å; W758-Y773 AromaticContact CZ2-CE2 3.54Å; W758-Y773 HydrophobicContact CZ2-CE2 3.54Å; W758-Y773 HydrophobicContact CZ3-CE2 4.4Å; W758-I801 HydrophobicContact CB-CD1 3.89Å; W758-I801 HydrophobicContact CD2-CD1 4.04Å; W758-I801 HydrophobicContact CG-CD1 3.46Å; W758-I801 VanDerWaalsContact CG-CD1 3.46Å; W758-M871 HydrophobicContact CZ3-CE 4.4Å |
| 759 | L | 90.7 | Very high | 89.2 | Confident | 23 Ų | 23 | 69.5 Ų | 69.5 | 12% | 0.12 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -66.2 | -46.6 | 175.3 | -74.6 | 171.4 | 0 | 0 | 0 | 111.8 | L755 T757 N761 R762 I765 P796 M871 | L755-L759 HydrophobicContact CD1-CG 4.25Å; L755-L759 HydrophobicContact CG-CD1 4.16Å; L755-L759 HydrophobicContact CG-CG 4.28Å; L755-L759 WeakPolarHBondContact O-CB 3.5Å; L755-L759 WeakPolarHBondContact O-CG 3.38Å; L755-L759 PolarHBondContact O-N 3.26Å; T757-L759 VanDerWaalsContact C-N 3.33Å; T757-L759 PolarHBondContact O-N 3.01Å; L759-N761 PolarHBondContact O-N 3.25Å; L759-R762 PolarHBondContact O-N 3.35Å; L759-I765 HydrophobicContact CD2-CD1 3.65Å; L759-P796 HydrophobicContact CD1-CB 3.86Å; L759-P796 HydrophobicContact CD1-CG 3.81Å; L759-M871 HydrophobicContact CD2-CG 3.93Å |
| 760 | R | 86.6 | Confident | 89.2 | Confident | 170 Ų | 170 | 69 Ų | 69 | 64% | 0.642 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -58.1 | -34.8 | 176.8 | -73.3 | -178.9 | -68.3 | 173.9 | 3.4 | 112.5 | N756 T757 R762 | N756-R760 PolarHBondContact ND2-NE 3.2Å; N756-R760 WeakPolarHBondContact O-CG 3.36Å; N756-R760 PolarHBondContact O-N 2.84Å; N756-R760 VanDerWaalsContact O-N 3.12Å; N756-R760 PolarHBondContact O-NE 3.43Å; T757-R760 PolarHBondContact O-N 3.31Å; T757-R760 PolarHBondContact OG1-NH2 3.26Å; R760-R762 VanDerWaalsContact C-N 3.32Å; R760-R762 PolarHBondContact O-N 2.73Å |
| 761 | N | 86.2 | Confident | 89.3 | Confident | 117 Ų | 117 | 70.6 Ų | 70.6 | 63% | 0.626 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.4 | 3.1 | -176.4 | -66.1 | 1.9 | 0 | 0 | 0 | 114.3 | T757 W758 L759 | T757-N761 WeakPolarHBondContact O-CB 3.46Å; T757-N761 PolarHBondContact O-N 3.18Å; T757-N761 PolarHBondContact O-OD1 3Å; W758-N761 PolarHBondContact O-N 2.98Å; L759-N761 PolarHBondContact O-N 3.25Å |
| 762 | R | 81.3 | Confident | 89.6 | Confident | 94 Ų | 94 | 74.4 Ų | 74.4 | 36% | 0.355 | 36% | 0.364 | S | S | . | . | trans | -131.6 | 122.7 | -175.7 | -73.9 | -168.3 | 174.9 | -161 | 18.6 | 113.8 | W758 L759 R760 E769 | W758-R762 VanDerWaalsContact CE2-CZ 3.5Å; W758-R762 VanDerWaalsContact CZ2-NH1 3.33Å; L759-R762 PolarHBondContact O-N 3.35Å; R760-R762 VanDerWaalsContact C-N 3.32Å; R760-R762 PolarHBondContact O-N 2.73Å; R762-E769 IonicContact CZ-OE1 3.62Å; R762-E769 IonicContact CZ-OE2 3.22Å; R762-E769 VanDerWaalsContact NH1-CD 3.33Å; R762-E769 IonicContact NH1-OE1 3.77Å; R762-E769 PolarHBondContact NH1-OE1 2.91Å; R762-E769 IonicContact NH1-OE2 2.91Å; R762-E769 PolarHBondContact NH1-OE2 2.83Å; R762-E769 IonicContact NH2-OE1 2.71Å; R762-E769 PolarHBondContact NH2-OE1 2.71Å; R762-E769 IonicContact NH2-OE2 2.71Å | ||
| 763 | K | 73.1 | Confident | 90.1 | Very high | 215 Ų | 215 | 69.4 Ų | 69.4 | 94% | 0.935 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -74.2 | -24.4 | 174 | -62.8 | -176.4 | -179.6 | 180 | 0 | 113.4 | ||
| 764 | T | 82.3 | Confident | 90.6 | Very high | 120 Ų | 120 | 66.5 Ų | 66.5 | 74% | 0.736 | 32% | 0.322 | S | S | * | . | trans | -145.2 | 156.7 | 177.3 | 56.4 | 0 | 0 | 0 | 0 | 111 | ||||
| 765 | I | 90.4 | Very high | 90.9 | Very high | 30 Ų | 30 | 69 Ų | 69 | 15% | 0.154 | 33% | 0.33 | C | S | . | . | trans | -127.8 | 135.6 | -178.5 | -64.2 | 163.3 | 0 | 0 | 0 | 109 | W758 L759 R770 M871 | W758-I765 HydrophobicContact CH2-CB 4.39Å; W758-I765 HydrophobicContact CH2-CD1 4.13Å; W758-I765 HydrophobicContact CH2-CG1 3.8Å; W758-I765 HydrophobicContact CH2-CG2 3.8Å; W758-I765 HydrophobicContact CZ3-CD1 3.78Å; W758-I765 HydrophobicContact CZ3-CG1 3.9Å; W758-I765 HydrophobicContact CZ3-CG2 4.48Å; L759-I765 HydrophobicContact CD2-CD1 3.65Å; I765-R770 HydrophobicContact CG2-CB 3.86Å; I765-M871 HydrophobicContact CD1-CB 4.09Å; I765-M871 HydrophobicContact CD1-CG 4.39Å | ||
| 766 | N | 91.8 | Very high | 91.1 | Very high | 84 Ų | 84 | 69.2 Ų | 69.2 | 45% | 0.449 | 33% | 0.332 | S | S | . | . | trans | -66.8 | 128.4 | 176.1 | -179.4 | -33.3 | 0 | 0 | 0 | 109.9 | L768 E769 R770 | N766-L768 PolarHBondContact O-N 2.92Å; N766-L768 VanDerWaalsContact O-N 3.17Å; N766-L768 WeakPolarHBondContact OD1-CB 3.49Å; N766-L768 PolarHBondContact OD1-N 3.01Å; N766-E769 HydrophobicContact CB-CB 3.9Å; N766-E769 WeakPolarHBondContact O-CB 3.32Å; N766-E769 PolarHBondContact O-N 3.37Å; N766-R770 PolarHBondContact O-N 2.69Å | ||
| 767 | P | 93.7 | Very high | 91.5 | Very high | 57 Ų | 57 | 66.8 Ų | 66.8 | 37% | 0.37 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -54.5 | -33.2 | 179.4 | -29.9 | 37 | 0 | 0 | 0 | 115.1 | K771 | P767-K771 WeakPolarHBondContact O-CB 3.32Å; P767-K771 PolarHBondContact O-N 3.17Å |
| 768 | L | 92.3 | Very high | 92 | Very high | 127 Ų | 127 | 65.3 Ų | 65.3 | 67% | 0.665 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -72.5 | -40.7 | 176.9 | -60.5 | 178.5 | 0 | 0 | 0 | 111.6 | N766 K771 F772 | N766-L768 PolarHBondContact O-N 2.92Å; N766-L768 VanDerWaalsContact O-N 3.17Å; N766-L768 WeakPolarHBondContact OD1-CB 3.49Å; N766-L768 PolarHBondContact OD1-N 3.01Å; L768-K771 PolarHBondContact O-N 3.06Å; L768-F772 WeakPolarHBondContact O-CB 3.49Å; L768-F772 PolarHBondContact O-N 3.26Å |
| 769 | E | 93.6 | Very high | 92.3 | Very high | 46 Ų | 46 | 66.6 Ų | 66.6 | 22% | 0.215 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -65.7 | -44.5 | 176.5 | -169 | 177.8 | -159 | 0 | 0 | 110.5 | W758 R762 N766 K771 F772 Y773 | W758-E769 HydrophobicContact CZ2-CG 4.28Å; W758-E769 WeakPolarHBondContact CZ2-OE1 3.35Å; R762-E769 IonicContact CZ-OE1 3.62Å; R762-E769 IonicContact CZ-OE2 3.22Å; R762-E769 VanDerWaalsContact NH1-CD 3.33Å; R762-E769 IonicContact NH1-OE1 3.77Å; R762-E769 PolarHBondContact NH1-OE1 2.91Å; R762-E769 IonicContact NH1-OE2 2.91Å; R762-E769 PolarHBondContact NH1-OE2 2.83Å; R762-E769 IonicContact NH2-OE1 2.71Å; R762-E769 PolarHBondContact NH2-OE1 2.71Å; R762-E769 IonicContact NH2-OE2 2.71Å; N766-E769 HydrophobicContact CB-CB 3.9Å; N766-E769 WeakPolarHBondContact O-CB 3.32Å; N766-E769 PolarHBondContact O-N 3.37Å; E769-K771 PolarHBondContact O-N 2.81Å; E769-F772 PolarHBondContact O-N 3.35Å; E769-Y773 HydrophobicContact CG-CD2 4.23Å; E769-Y773 HydrophobicContact CG-CE1 4.39Å; E769-Y773 HydrophobicContact CG-CE2 3.69Å; E769-Y773 WeakPolarHBondContact O-CB 3.33Å; E769-Y773 PolarHBondContact O-N 2.78Å; E769-Y773 PolarHBondContact OE1-OH 3.08Å |
| 770 | R | 96.3 | Very high | 92.6 | Very high | 15 Ų | 15 | 65.6 Ų | 65.6 | 6% | 0.057 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -58.1 | -45.3 | 171 | 177.9 | 175.3 | 62 | -125.7 | -5.8 | 112.1 | I765 N766 W774 L868 M871 E905 L908 | I765-R770 HydrophobicContact CG2-CB 3.86Å; N766-R770 PolarHBondContact O-N 2.69Å; R770-W774 WeakPolarHBondContact O-CB 3Å; R770-W774 PolarHBondContact O-N 3.4Å; R770-L868 HydrophobicContact CG-CD1 3.85Å; R770-M871 HydrophobicContact CB-CE 4.27Å; R770-M871 WeakPolarHBondContact CD-O 2.98Å; R770-M871 HydrophobicContact CG-CB 4Å; R770-M871 HydrophobicContact CG-CE 4.09Å; R770-M871 HydrophobicContact CG-SD 4.4Å; R770-M871 PolarHBondContact NH1-O 3.48Å; R770-E905 IonicContact CZ-OE1 2.64Å; R770-E905 IonicContact CZ-OE2 2.98Å; R770-E905 IonicContact NH2-OE1 2.62Å; R770-E905 PolarHBondContact NH2-OE1 2.99Å; R770-E905 IonicContact NH2-OE2 3.98Å; R770-E905 PolarHBondContact NH2-OE2 3.44Å; R770-L908 VanDerWaalsContact NE-CD2 3.35Å |
| 771 | K | 96.1 | Very high | 93.1 | Very high | 51 Ų | 51 | 57.5 Ų | 57.5 | 22% | 0.222 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -64 | -40.3 | 179.2 | -173.7 | 179.8 | -64.8 | -155.9 | 0 | 111.9 | P767 L768 E769 K775 Y934 L935 | P767-K771 WeakPolarHBondContact O-CB 3.32Å; P767-K771 PolarHBondContact O-N 3.17Å; L768-K771 PolarHBondContact O-N 3.06Å; E769-K771 PolarHBondContact O-N 2.81Å; K771-K775 PolarHBondContact O-N 2.76Å; K771-Y934 HydrophobicContact CB-CE1 4.27Å; K771-Y934 VanDerWaalsContact CD-O 3.29Å; K771-Y934 WeakPolarHBondContact CD-O 3.42Å; K771-Y934 WeakPolarHBondContact CE-O 3.43Å; K771-Y934 HydrophobicContact CG-CE1 4.06Å; K771-Y934 PolarHBondContact NZ-O 3.29Å; K771-L935 HydrophobicContact CG-CD2 3.9Å |
| 772 | F | 96.3 | Very high | 93.7 | Very high | 98 Ų | 98 | 54.3 Ų | 54.3 | 43% | 0.43 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -66.2 | -48.5 | 177.4 | -175.7 | -104.6 | 0 | 0 | 0 | 111.9 | L768 E769 W774 K775 N776 A804 | L768-F772 WeakPolarHBondContact O-CB 3.49Å; L768-F772 PolarHBondContact O-N 3.26Å; E769-F772 PolarHBondContact O-N 3.35Å; F772-W774 PolarHBondContact O-N 3.21Å; F772-K775 WeakPolarHBondContact O-CB 3.49Å; F772-K775 PolarHBondContact O-N 2.66Å; F772-N776 WeakPolarHBondContact CE1-OD1 3.38Å; F772-N776 PolarHBondContact O-N 2.83Å; F772-A804 WeakPolarHBondContact CE1-O 3.46Å |
| 773 | Y | 97.4 | Very high | 94.4 | Very high | 10 Ų | 10 | 50.7 Ų | 50.7 | 4% | 0.039 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -62.7 | -39.4 | 174.9 | -71.8 | -5.5 | 0 | 0 | 0 | 112.7 | L755 W758 E769 K775 N776 M777 I801 A804 L806 M871 | L755-Y773 HydrophobicContact CD1-CD2 4.48Å; W758-Y773 AromaticContact CE2-CE2 3.96Å; W758-Y773 HydrophobicContact CH2-CD2 4.11Å; W758-Y773 AromaticContact CH2-CE2 3.78Å; W758-Y773 HydrophobicContact CH2-CE2 3.78Å; W758-Y773 HydrophobicContact CZ2-CD2 4.33Å; W758-Y773 AromaticContact CZ2-CE2 3.54Å; W758-Y773 HydrophobicContact CZ2-CE2 3.54Å; W758-Y773 HydrophobicContact CZ3-CE2 4.4Å; E769-Y773 HydrophobicContact CG-CD2 4.23Å; E769-Y773 HydrophobicContact CG-CE1 4.39Å; E769-Y773 HydrophobicContact CG-CE2 3.69Å; E769-Y773 WeakPolarHBondContact O-CB 3.33Å; E769-Y773 PolarHBondContact O-N 2.78Å; E769-Y773 PolarHBondContact OE1-OH 3.08Å; Y773-K775 VanDerWaalsContact C-N 3.34Å; Y773-K775 PolarHBondContact O-N 3.25Å; Y773-N776 PolarHBondContact O-N 3.16Å; Y773-M777 WeakPolarHBondContact O-CG 3.5Å; Y773-M777 PolarHBondContact O-N 3.48Å; Y773-I801 HydrophobicContact CE2-CD1 4.3Å; Y773-A804 WeakPolarHBondContact CE1-O 3.24Å; Y773-L806 HydrophobicContact CD1-CD1 4.21Å; Y773-L806 HydrophobicContact CD1-CG 3.85Å; Y773-L806 HydrophobicContact CD2-CD1 4.27Å; Y773-L806 HydrophobicContact CD2-CG 4.41Å; Y773-L806 HydrophobicContact CE1-CG 4.41Å; Y773-L806 HydrophobicContact CG-CD1 3.76Å; Y773-L806 HydrophobicContact CG-CG 3.88Å; Y773-M871 HydrophobicContact CD2-CE 3.94Å; Y773-M871 HydrophobicContact CG-CE 4.45Å |
| 774 | W | 98.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -57.6 | -46.3 | 172.1 | 178.2 | -118 | 0 | 0 | 0 | 111.7 | R770 F772 M777 L778 L864 L868 V911 L929 Y934 | R770-W774 WeakPolarHBondContact O-CB 3Å; R770-W774 PolarHBondContact O-N 3.4Å; F772-W774 PolarHBondContact O-N 3.21Å; W774-M777 HydrophobicContact CE3-CE 4.03Å; W774-M777 PolarHBondContact O-N 3.45Å; W774-L778 HydrophobicContact CD2-CD1 4.19Å; W774-L778 HydrophobicContact CD2-CG 4.38Å; W774-L778 HydrophobicContact CG-CD1 4.41Å; W774-L778 HydrophobicContact CH2-CD2 4.19Å; W774-L778 HydrophobicContact CZ2-CD1 3.91Å; W774-L778 HydrophobicContact CZ2-CD2 3.96Å; W774-L778 HydrophobicContact CZ2-CG 4.14Å; W774-L778 WeakPolarHBondContact O-CG 3.48Å; W774-L778 PolarHBondContact O-N 3.48Å; W774-L778 VanDerWaalsContact O-N 3.1Å; W774-L864 HydrophobicContact CH2-CB 4.01Å; W774-L864 HydrophobicContact CZ3-CB 3.86Å; W774-L864 WeakPolarHBondContact CZ3-O 3.42Å; W774-L868 HydrophobicContact CB-CD1 4.1Å; W774-L868 HydrophobicContact CD2-CD1 3.93Å; W774-L868 HydrophobicContact CD2-CD2 3.74Å; W774-L868 HydrophobicContact CD2-CG 4.28Å; W774-L868 HydrophobicContact CE3-CB 3.78Å; W774-L868 HydrophobicContact CE3-CD1 3.82Å; W774-L868 HydrophobicContact CE3-CD2 3.81Å; W774-L868 HydrophobicContact CE3-CG 4.01Å; W774-L868 HydrophobicContact CG-CD1 4.05Å; W774-L868 HydrophobicContact CG-CD2 4.37Å; W774-L868 HydrophobicContact CH2-CB 4.39Å; W774-L868 HydrophobicContact CH2-CD2 4.03Å; W774-L868 HydrophobicContact CZ2-CD2 3.95Å; W774-L868 HydrophobicContact CZ3-CB 3.7Å; W774-L868 HydrophobicContact CZ3-CD2 3.95Å; W774-L868 HydrophobicContact CZ3-CG 4.28Å; W774-V911 HydrophobicContact CH2-CG1 4.44Å; W774-V911 HydrophobicContact CZ2-CG1 3.61Å; W774-L929 HydrophobicContact CH2-CD1 4.46Å; W774-L929 HydrophobicContact CZ2-CD1 4.05Å; W774-L929 HydrophobicContact CZ2-CD2 4.13Å; W774-Y934 AromaticContact CD1-CD1 3.71Å; W774-Y934 AromaticContact CD1-CE1 3.74Å; W774-Y934 HydrophobicContact CG-CE1 4.27Å |
| 775 | K | 97.9 | Very high | 96.1 | Very high | 92 Ų | 92 | 36 Ų | 36 | 40% | 0.4 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -59.1 | -49.3 | 175 | -175.3 | 179.6 | 158.9 | 175.5 | 0 | 111.6 | K771 F772 Y773 M777 L778 E779 L935 | K771-K775 PolarHBondContact O-N 2.76Å; F772-K775 WeakPolarHBondContact O-CB 3.49Å; F772-K775 PolarHBondContact O-N 2.66Å; Y773-K775 VanDerWaalsContact C-N 3.34Å; Y773-K775 PolarHBondContact O-N 3.25Å; K775-M777 VanDerWaalsContact C-N 3.35Å; K775-M777 PolarHBondContact O-N 2.88Å; K775-L778 PolarHBondContact O-N 2.75Å; K775-L778 VanDerWaalsContact O-N 3.17Å; K775-E779 WeakPolarHBondContact CE-OE1 3.22Å; K775-E779 HydrophobicContact CG-CG 4.31Å; K775-E779 IonicContact NZ-OE1 3.43Å; K775-E779 PolarHBondContact NZ-OE1 3.37Å; K775-E779 WeakPolarHBondContact O-CG 3.25Å; K775-E779 PolarHBondContact O-N 3.36Å; K775-L935 HydrophobicContact CB-CD1 4.34Å; K775-L935 HydrophobicContact CB-CD2 3.85Å; K775-L935 HydrophobicContact CG-CD1 4.33Å |
| 776 | N | 98.1 | Very high | 96.4 | Very high | 5 Ų | 5 | 41.4 Ų | 41.4 | 3% | 0.027 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -61.3 | -40.5 | -179.6 | -62.2 | 152.8 | 0 | 0 | 0 | 112.9 | Q730 F772 Y773 L778 E779 A780 S805 L806 | Q730-N776 HydrophobicContact CG-CB 4.11Å; F772-N776 WeakPolarHBondContact CE1-OD1 3.38Å; F772-N776 PolarHBondContact O-N 2.83Å; Y773-N776 PolarHBondContact O-N 3.16Å; N776-L778 VanDerWaalsContact C-N 3.33Å; N776-L778 PolarHBondContact O-N 3.24Å; N776-E779 PolarHBondContact ND2-OE2 3.01Å; N776-E779 PolarHBondContact O-N 2.89Å; N776-A780 PolarHBondContact O-N 2.89Å; N776-S805 PolarHBondContact OD1-OG 3.23Å; N776-L806 HydrophobicContact CB-CB 3.96Å; N776-L806 PolarHBondContact OD1-N 2.79Å |
| 777 | M | 98.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63.1 | -40.1 | 176.2 | -70.6 | -173.1 | -69.6 | 0 | 0 | 111.6 | L755 Y773 W774 K775 V781 F799 L806 L864 I867 M871 | L755-M777 HydrophobicContact CD2-SD 3.97Å; Y773-M777 WeakPolarHBondContact O-CG 3.5Å; Y773-M777 PolarHBondContact O-N 3.48Å; W774-M777 HydrophobicContact CE3-CE 4.03Å; W774-M777 PolarHBondContact O-N 3.45Å; K775-M777 VanDerWaalsContact C-N 3.35Å; K775-M777 PolarHBondContact O-N 2.88Å; M777-V781 WeakPolarHBondContact O-CB 3.3Å; M777-V781 VanDerWaalsContact O-CG2 3.3Å; M777-V781 WeakPolarHBondContact O-CG2 3.18Å; M777-V781 PolarHBondContact O-N 3.46Å; M777-F799 HydrophobicContact CB-CE1 4.07Å; M777-F799 HydrophobicContact CB-CZ 4.07Å; M777-F799 HydrophobicContact CG-CD1 3.84Å; M777-F799 HydrophobicContact CG-CD2 4.25Å; M777-F799 HydrophobicContact CG-CE1 3.7Å; M777-F799 HydrophobicContact CG-CE2 4.12Å; M777-F799 HydrophobicContact CG-CG 4.11Å; M777-F799 HydrophobicContact CG-CZ 3.84Å; M777-F799 HydrophobicContact SD-CD2 3.94Å; M777-F799 HydrophobicContact SD-CE2 3.93Å; M777-F799 HydrophobicContact SD-CG 4.26Å; M777-F799 HydrophobicContact SD-CZ 4.24Å; M777-L806 HydrophobicContact CE-CD1 4.47Å; M777-L806 HydrophobicContact CG-CD1 3.76Å; M777-L806 HydrophobicContact SD-CD1 4.09Å; M777-L864 HydrophobicContact CB-CD2 3.95Å; M777-L864 HydrophobicContact SD-CD2 4.31Å; M777-I867 HydrophobicContact CE-CG2 4.04Å; M777-I867 HydrophobicContact SD-CG2 3.9Å; M777-M871 HydrophobicContact CE-SD 3.85Å |
| 778 | L | 98.5 | Very high | 96.2 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -66.5 | -41.9 | 173.9 | -68.6 | 171.2 | 0 | 0 | 0 | 112.2 | W774 K775 N776 V781 H782 L864 I926 L929 L930 L935 | W774-L778 HydrophobicContact CD2-CD1 4.19Å; W774-L778 HydrophobicContact CD2-CG 4.38Å; W774-L778 HydrophobicContact CG-CD1 4.41Å; W774-L778 HydrophobicContact CH2-CD2 4.19Å; W774-L778 HydrophobicContact CZ2-CD1 3.91Å; W774-L778 HydrophobicContact CZ2-CD2 3.96Å; W774-L778 HydrophobicContact CZ2-CG 4.14Å; W774-L778 WeakPolarHBondContact O-CG 3.48Å; W774-L778 PolarHBondContact O-N 3.48Å; W774-L778 VanDerWaalsContact O-N 3.1Å; K775-L778 PolarHBondContact O-N 2.75Å; K775-L778 VanDerWaalsContact O-N 3.17Å; N776-L778 VanDerWaalsContact C-N 3.33Å; N776-L778 PolarHBondContact O-N 3.24Å; L778-V781 PolarHBondContact O-N 3.29Å; L778-H782 WeakPolarHBondContact O-CB 3.37Å; L778-H782 PolarHBondContact O-N 3.31Å; L778-L864 HydrophobicContact CD2-CD1 3.96Å; L778-I926 HydrophobicContact CB-CG2 4.41Å; L778-I926 HydrophobicContact CD2-CD1 3.69Å; L778-I926 HydrophobicContact CD2-CG2 4.08Å; L778-L929 HydrophobicContact CD1-CB 3.91Å; L778-L929 HydrophobicContact CD2-CB 3.93Å; L778-L929 HydrophobicContact CD2-CD1 3.86Å; L778-L930 HydrophobicContact CB-CD2 3.69Å; L778-L930 HydrophobicContact CB-CG 4.15Å; L778-L930 HydrophobicContact CD1-CD2 4.4Å; L778-L935 HydrophobicContact CD1-CD1 3.92Å |
| 779 | E | 98.1 | Very high | 96.2 | Very high | 45 Ų | 45 | 35.2 Ų | 35.2 | 21% | 0.21 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -61.3 | -44.6 | 177.5 | -72.3 | 171 | 138.9 | 0 | 0 | 111.9 | Q730 K775 N776 T783 L930 | Q730-E779 HydrophobicContact CB-CB 4.48Å; Q730-E779 HydrophobicContact CG-CB 4.06Å; K775-E779 WeakPolarHBondContact CE-OE1 3.22Å; K775-E779 HydrophobicContact CG-CG 4.31Å; K775-E779 IonicContact NZ-OE1 3.43Å; K775-E779 PolarHBondContact NZ-OE1 3.37Å; K775-E779 WeakPolarHBondContact O-CG 3.25Å; K775-E779 PolarHBondContact O-N 3.36Å; N776-E779 PolarHBondContact ND2-OE2 3.01Å; N776-E779 PolarHBondContact O-N 2.89Å; E779-T783 WeakPolarHBondContact O-CB 3.48Å; E779-T783 PolarHBondContact O-N 3.36Å; E779-T783 PolarHBondContact O-OG1 3.4Å; E779-L930 HydrophobicContact CG-CD2 4.24Å |
| 780 | A | 98 | Very high | 96.1 | Very high | 1 Ų | 1 | 34.6 Ų | 34.6 | 1% | 0.008 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -62.9 | -51.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q730 I731 N776 H782 T783 I784 L808 | Q730-A780 HydrophobicContact CB-CB 3.96Å; Q730-A780 WeakPolarHBondContact O-CB 3.43Å; I731-A780 HydrophobicContact CD1-CB 4.13Å; N776-A780 PolarHBondContact O-N 2.89Å; A780-H782 PolarHBondContact O-N 2.92Å; A780-T783 WeakPolarHBondContact O-CB 3.37Å; A780-T783 PolarHBondContact O-N 3.04Å; A780-T783 VanDerWaalsContact O-N 3.11Å; A780-I784 PolarHBondContact O-N 2.85Å; A780-L808 HydrophobicContact CB-CB 3.89Å; A780-L808 HydrophobicContact CB-CD2 4.49Å |
| 781 | V | 97.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -68.8 | -34.8 | -176.4 | 173.9 | 0 | 0 | 0 | 0 | 111.7 | M777 L778 T783 I784 H785 L794 F799 D860 L864 I926 | M777-V781 WeakPolarHBondContact O-CB 3.3Å; M777-V781 VanDerWaalsContact O-CG2 3.3Å; M777-V781 WeakPolarHBondContact O-CG2 3.18Å; M777-V781 PolarHBondContact O-N 3.46Å; L778-V781 PolarHBondContact O-N 3.29Å; V781-T783 VanDerWaalsContact C-N 3.26Å; V781-T783 PolarHBondContact O-N 3.15Å; V781-I784 WeakPolarHBondContact O-CG1 3.17Å; V781-I784 PolarHBondContact O-N 2.95Å; V781-H785 VanDerWaalsContact CG1-CE1 3.4Å; V781-H785 WeakPolarHBondContact CG1-CE1 3.4Å; V781-H785 WeakPolarHBondContact O-CB 3.06Å; V781-H785 PolarHBondContact O-CD2 3.33Å; V781-H785 PolarHBondContact O-N 2.87Å; V781-L794 HydrophobicContact CG1-CD1 4.4Å; V781-L794 HydrophobicContact CG2-CD1 3.78Å; V781-L794 HydrophobicContact CG2-CD2 4.33Å; V781-F799 HydrophobicContact CG2-CZ 4.21Å; V781-D860 HydrophobicContact CG1-CB 4.09Å; V781-L864 HydrophobicContact CB-CD1 4.12Å; V781-L864 HydrophobicContact CG1-CD1 4.18Å; V781-L864 HydrophobicContact CG2-CD1 4.06Å; V781-L864 HydrophobicContact CG2-CD2 4.32Å; V781-L864 HydrophobicContact CG2-CG 4.49Å; V781-I926 HydrophobicContact CB-CD1 4.46Å; V781-I926 HydrophobicContact CG1-CD1 3.85Å; V781-I926 HydrophobicContact CG1-CG1 4.17Å |
| 782 | H | 97.6 | Very high | 95.5 | Very high | 51 Ų | 51 | 33.5 Ų | 33.5 | 24% | 0.236 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -61.9 | -35.8 | 171.7 | -167.4 | 43.9 | 0 | 0 | 0 | 112.3 | L778 A780 K786 I926 L930 | L778-H782 WeakPolarHBondContact O-CB 3.37Å; L778-H782 PolarHBondContact O-N 3.31Å; A780-H782 PolarHBondContact O-N 2.92Å; H782-K786 PolarHBondContact CD2-NZ 3.4Å; H782-K786 WeakPolarHBondContact O-CB 3.48Å; H782-K786 WeakPolarHBondContact O-CG 3.47Å; H782-K786 PolarHBondContact O-N 3.37Å; H782-I926 HydrophobicContact CB-CG2 3.57Å; H782-L930 HydrophobicContact CB-CD1 3.99Å |
| 783 | T | 97.3 | Very high | 95.1 | Very high | 17 Ų | 17 | 30.9 Ų | 30.9 | 10% | 0.104 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -69.9 | -42.4 | -178.9 | -59.5 | 0 | 0 | 0 | 0 | 111.7 | L724 S728 E779 A780 V781 H787 | L724-T783 HydrophobicContact CD2-CG2 4.3Å; S728-T783 WeakPolarHBondContact CB-OG1 3.4Å; E779-T783 WeakPolarHBondContact O-CB 3.48Å; E779-T783 PolarHBondContact O-N 3.36Å; E779-T783 PolarHBondContact O-OG1 3.4Å; A780-T783 WeakPolarHBondContact O-CB 3.37Å; A780-T783 PolarHBondContact O-N 3.04Å; A780-T783 VanDerWaalsContact O-N 3.11Å; V781-T783 VanDerWaalsContact C-N 3.26Å; V781-T783 PolarHBondContact O-N 3.15Å; T783-H787 PolarHBondContact O-ND1 2.89Å |
| 784 | I | 95.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -67.6 | -41.4 | 173.6 | 63.9 | 171.6 | 0 | 0 | 0 | 111.5 | L724 I731 A780 V781 K786 H787 G788 I789 H791 L808 F811 | L724-I784 HydrophobicContact CD1-CG2 3.83Å; I731-I784 HydrophobicContact CD1-CG2 4.35Å; A780-I784 PolarHBondContact O-N 2.85Å; V781-I784 WeakPolarHBondContact O-CG1 3.17Å; V781-I784 PolarHBondContact O-N 2.95Å; I784-K786 VanDerWaalsContact C-N 3.32Å; I784-K786 PolarHBondContact O-N 2.98Å; I784-H787 CarbonylContact O-C 3.55Å; I784-H787 WeakPolarHBondContact O-CA 3.47Å; I784-H787 PolarHBondContact O-N 3.47Å; I784-G788 PolarHBondContact O-N 3.09Å; I784-I789 CarbonylContact C-O 3.48Å; I784-I789 VanDerWaalsContact C-O 3.22Å; I784-I789 HydrophobicContact CB-CG1 4.1Å; I784-I789 HydrophobicContact CB-CG2 4.29Å; I784-I789 WeakPolarHBondContact O-CG1 3.37Å; I784-I789 PolarHBondContact O-N 3.39Å; I784-H791 HydrophobicContact CD1-CB 3.98Å; I784-L808 HydrophobicContact CD1-CD2 4.12Å; I784-L808 HydrophobicContact CG2-CD2 4.19Å; I784-F811 HydrophobicContact CG2-CD1 3.77Å; I784-F811 HydrophobicContact CG2-CE1 3.72Å; I784-F811 HydrophobicContact CG2-CG 4.49Å; I784-F811 HydrophobicContact CG2-CZ 4.36Å |
| 785 | H | 95.3 | Very high | 94.7 | Very high | 28 Ų | 28 | 32.1 Ų | 32.1 | 13% | 0.13 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -61.2 | -38.6 | 178.8 | -72.5 | -179.9 | 0 | 0 | 0 | 112.5 | V781 H787 G788 I789 P857 D860 | V781-H785 VanDerWaalsContact CG1-CE1 3.4Å; V781-H785 WeakPolarHBondContact CG1-CE1 3.4Å; V781-H785 WeakPolarHBondContact O-CB 3.06Å; V781-H785 PolarHBondContact O-CD2 3.33Å; V781-H785 PolarHBondContact O-N 2.87Å; H785-H787 PolarHBondContact O-N 3.49Å; H785-G788 PolarHBondContact O-N 3.32Å; H785-G788 VanDerWaalsContact O-N 3.13Å; H785-I789 PolarHBondContact CD2-O 3.05Å; H785-I789 PolarHBondContact N-O 3.42Å; H785-P857 PolarHBondContact CE1-O 3.47Å; H785-P857 VanDerWaalsContact CE1-O 3.31Å; H785-D860 IonicContact CD2-OD2 2.73Å; H785-D860 IonicContact CE1-OD2 2.81Å; H785-D860 IonicContact NE2-OD2 3.72Å; H785-D860 PolarHBondContact NE2-OD2 2.89Å |
| 786 | K | 95.4 | Very high | 94.5 | Very high | 143 Ų | 143 | 27.7 Ų | 27.7 | 62% | 0.622 | 15% | 0.152 | S | C | * | . | H | α-helix | trans | -61.8 | -22.5 | 174.3 | -88 | 172.2 | 161.6 | 162 | 0 | 113.9 | H782 I784 | H782-K786 PolarHBondContact CD2-NZ 3.4Å; H782-K786 WeakPolarHBondContact O-CB 3.48Å; H782-K786 WeakPolarHBondContact O-CG 3.47Å; H782-K786 PolarHBondContact O-N 3.37Å; I784-K786 VanDerWaalsContact C-N 3.32Å; I784-K786 PolarHBondContact O-N 2.98Å |
| 787 | H | 93.3 | Very high | 94.1 | Very high | 61 Ų | 61 | 29.4 Ų | 29.4 | 28% | 0.282 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -104.7 | 17.3 | 177.9 | -63.9 | 91.3 | 0 | 0 | 0 | 112.7 | H723 L724 Y727 T783 I784 H785 I789 | H723-H787 AromaticContact CE1-CD2 3.87Å; L724-H787 HydrophobicContact CD2-CB 4.06Å; L724-H787 VanDerWaalsContact CD2-ND1 3.25Å; L724-H787 WeakPolarHBondContact CD2-ND1 3.49Å; Y727-H787 AromaticContact CD1-CE1 3.69Å; Y727-H787 AromaticContact CD1-NE2 3.78Å; Y727-H787 AromaticContact CD2-CE1 3.88Å; Y727-H787 AromaticContact CD2-NE2 3.88Å; Y727-H787 AromaticContact CE1-CE1 3.92Å; Y727-H787 AromaticContact CE1-NE2 3.51Å; Y727-H787 AromaticContact CE2-NE2 3.6Å; Y727-H787 AromaticContact CG-CE1 3.66Å; Y727-H787 AromaticContact CG-NE2 3.95Å; Y727-H787 AromaticContact CZ-NE2 3.4Å; T783-H787 PolarHBondContact O-ND1 2.89Å; I784-H787 CarbonylContact O-C 3.55Å; I784-H787 WeakPolarHBondContact O-CA 3.47Å; I784-H787 PolarHBondContact O-N 3.47Å; H785-H787 PolarHBondContact O-N 3.49Å; H787-I789 VanDerWaalsContact C-N 3.25Å; H787-I789 HydrophobicContact CB-CG1 4.37Å; H787-I789 PolarHBondContact O-N 3.22Å |
| 788 | G | 89.4 | Confident | 93.9 | Very high | 65 Ų | 65 | 29.6 Ų | 29.6 | 67% | 0.67 | 17% | 0.168 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 78.6 | -2.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | I784 H785 | I784-G788 PolarHBondContact O-N 3.09Å; H785-G788 PolarHBondContact O-N 3.32Å; H785-G788 VanDerWaalsContact O-N 3.13Å |
| 789 | I | 90.8 | Very high | 93.8 | Very high | 12 Ų | 12 | 29.6 Ų | 29.6 | 6% | 0.062 | 17% | 0.168 | C | C | . | . | trans | -90.7 | 126.8 | 178.3 | 25.7 | -173.3 | 0 | 0 | 0 | 110.3 | H720 L724 I784 H785 H787 F811 I813 | H720-I789 HydrophobicContact CB-CD1 3.84Å; L724-I789 HydrophobicContact CD1-CD1 3.88Å; I784-I789 CarbonylContact C-O 3.48Å; I784-I789 VanDerWaalsContact C-O 3.22Å; I784-I789 HydrophobicContact CB-CG1 4.1Å; I784-I789 HydrophobicContact CB-CG2 4.29Å; I784-I789 WeakPolarHBondContact O-CG1 3.37Å; I784-I789 PolarHBondContact O-N 3.39Å; H785-I789 PolarHBondContact CD2-O 3.05Å; H785-I789 PolarHBondContact N-O 3.42Å; H787-I789 VanDerWaalsContact C-N 3.25Å; H787-I789 HydrophobicContact CB-CG1 4.37Å; H787-I789 PolarHBondContact O-N 3.22Å; I789-F811 HydrophobicContact CD1-CD2 4.23Å; I789-F811 HydrophobicContact CG2-CB 4.07Å; I789-I813 HydrophobicContact CG2-CD1 4.26Å | ||
| 790 | I | 91.3 | Very high | 93.7 | Very high | 33 Ų | 33 | 28.5 Ų | 28.5 | 17% | 0.169 | 16% | 0.164 | C | C | . | . | trans | -115.1 | 132.3 | 176.8 | -57.8 | 158.8 | 0 | 0 | 0 | 106 | R816 I855 S856 P857 D860 | I790-R816 PolarHBondContact O-NH2 2.89Å; I790-I855 HydrophobicContact CB-CG2 4.22Å; I790-I855 HydrophobicContact CD1-CG2 4.31Å; I790-I855 HydrophobicContact CG2-CG2 3.86Å; I790-S856 WeakPolarHBondContact CG2-O 3.27Å; I790-P857 HydrophobicContact CD1-CG 4.15Å; I790-P857 HydrophobicContact CG1-CG 4.11Å; I790-D860 WeakPolarHBondContact CG2-OD2 3.48Å | ||
| 791 | H | 92.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 17% | 0.166 | C | C | . | . | trans | -86.4 | -38.4 | -169.6 | -174.4 | -33.6 | 0 | 0 | 0 | 113.2 | I784 D793 L794 D810 F811 R816 D860 | I784-H791 HydrophobicContact CD1-CB 3.98Å; H791-D793 PolarHBondContact ND1-N 2.97Å; H791-D793 PolarHBondContact O-N 3.48Å; H791-L794 HydrophobicContact CB-CD1 4.49Å; H791-L794 HydrophobicContact CB-CD2 4.22Å; H791-L794 HydrophobicContact CB-CG 3.97Å; H791-L794 WeakPolarHBondContact CD2-CD2 3.43Å; H791-D810 PolarHBondContact NE2-O 3.48Å; H791-D810 IonicContact NE2-OD1 3.63Å; H791-F811 WeakPolarHBondContact CA-O 3.32Å; H791-R816 VanDerWaalsContact C-NH2 3.33Å; H791-R816 PolarHBondContact O-NH2 2.93Å; H791-D860 PolarHBondContact N-OD2 3.13Å | ||
| 792 | S | 87.8 | Confident | 93.3 | Very high | 42 Ų | 42 | 29.1 Ų | 29.1 | 29% | 0.294 | 17% | 0.168 | S | C | . | . | S | Bend | trans | 54.6 | 4 | -178.9 | 80.8 | 0 | 0 | 0 | 0 | 118.5 | R816 D860 | S792-R816 PolarHBondContact OG-NE 2.85Å; S792-R816 VanDerWaalsContact OG-NE 3.13Å; S792-R816 PolarHBondContact OG-NH2 2.82Å; S792-D860 WeakPolarHBondContact CA-OD1 3.36Å; S792-D860 PolarHBondContact N-OD1 3.31Å |
| 793 | D | 88.3 | Confident | 92.9 | Very high | 43 Ų | 43 | 33.3 Ų | 33.3 | 23% | 0.23 | 19% | 0.192 | C | C | . | . | trans | -141.6 | 28.3 | -174.3 | -175.6 | 36.6 | 0 | 0 | 0 | 111.2 | H791 K795 N798 T832 | H791-D793 PolarHBondContact ND1-N 2.97Å; H791-D793 PolarHBondContact O-N 3.48Å; D793-K795 PolarHBondContact O-N 3.49Å; D793-K795 PolarHBondContact O-NZ 3.32Å; D793-K795 IonicContact OD1-NZ 3.7Å; D793-K795 PolarHBondContact OD1-NZ 3Å; D793-K795 IonicContact OD2-NZ 3.42Å; D793-K795 PolarHBondContact OD2-NZ 3.1Å; D793-N798 PolarHBondContact O-OD1 3.2Å; D793-N798 VanDerWaalsContact O-OD1 3.11Å; D793-T832 VanDerWaalsContact OD1-CG2 3.29Å; D793-T832 WeakPolarHBondContact OD1-CG2 3.23Å | ||
| 794 | L | 93.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 21% | 0.211 | C | C | . | . | trans | -66.3 | 119.5 | 179.7 | -74.1 | 171 | 0 | 0 | 0 | 111.1 | V781 H791 F799 L808 Y835 D860 S863 L864 | V781-L794 HydrophobicContact CG1-CD1 4.4Å; V781-L794 HydrophobicContact CG2-CD1 3.78Å; V781-L794 HydrophobicContact CG2-CD2 4.33Å; H791-L794 HydrophobicContact CB-CD1 4.49Å; H791-L794 HydrophobicContact CB-CD2 4.22Å; H791-L794 HydrophobicContact CB-CG 3.97Å; H791-L794 WeakPolarHBondContact CD2-CD2 3.43Å; L794-F799 HydrophobicContact CD2-CE2 3.94Å; L794-F799 HydrophobicContact CD2-CZ 3.85Å; L794-L808 HydrophobicContact CD2-CD1 3.98Å; L794-Y835 WeakPolarHBondContact O-CB 3.42Å; L794-D860 HydrophobicContact CD1-CB 3.64Å; L794-S863 WeakPolarHBondContact O-CB 3.27Å; L794-L864 HydrophobicContact CD1-CD2 4.25Å; L794-L864 HydrophobicContact CD1-CG 4.12Å | ||
| 795 | K | 93.6 | Very high | 92.5 | Very high | 36 Ų | 36 | 36.6 Ų | 36.6 | 16% | 0.157 | 22% | 0.219 | C | C | . | . | trans | -137.9 | 165.9 | 172.7 | 50.7 | -175 | 156.5 | -63.6 | 0 | 108.4 | D793 A797 N798 T832 Y835 | D793-K795 PolarHBondContact O-N 3.49Å; D793-K795 PolarHBondContact O-NZ 3.32Å; D793-K795 IonicContact OD1-NZ 3.7Å; D793-K795 PolarHBondContact OD1-NZ 3Å; D793-K795 IonicContact OD2-NZ 3.42Å; D793-K795 PolarHBondContact OD2-NZ 3.1Å; K795-A797 HydrophobicContact CG-CB 4.31Å; K795-A797 PolarHBondContact O-N 3.45Å; K795-N798 WeakPolarHBondContact CG-OD1 3.45Å; K795-N798 PolarHBondContact N-OD1 3.46Å; K795-N798 PolarHBondContact O-N 3.27Å; K795-N798 PolarHBondContact O-OD1 3.22Å; K795-N798 VanDerWaalsContact O-OD1 3.11Å; K795-T832 HydrophobicContact CD-CG2 4.29Å; K795-Y835 HydrophobicContact CB-CD2 3.79Å; K795-Y835 HydrophobicContact CB-CE2 4.02Å; K795-Y835 HydrophobicContact CB-CG 4.18Å | ||
| 796 | P | 93.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 21% | 0.213 | C | C | . | . | G | 310 helix | trans | -58.3 | -22.3 | -178.8 | -25.5 | 35.1 | 0 | 0 | 0 | 114 | L755 N756 L759 N798 F799 Y835 I867 | L755-P796 HydrophobicContact CB-CB 4.21Å; L755-P796 WeakPolarHBondContact CB-O 3.25Å; L755-P796 HydrophobicContact CD2-CB 4.23Å; L755-P796 HydrophobicContact CG-CB 4.08Å; N756-P796 HydrophobicContact CB-CB 3.86Å; N756-P796 PolarHBondContact N-O 3.05Å; L759-P796 HydrophobicContact CD1-CB 3.86Å; L759-P796 HydrophobicContact CD1-CG 3.81Å; P796-N798 VanDerWaalsContact C-N 3.27Å; P796-N798 PolarHBondContact O-N 3.21Å; P796-F799 PolarHBondContact O-N 2.96Å; P796-Y835 WeakPolarHBondContact CD-OH 3.46Å; P796-Y835 HydrophobicContact CG-CE1 4.11Å; P796-I867 HydrophobicContact CG-CD1 4.46Å; P796-I867 HydrophobicContact CG-CG1 4.01Å; P796-I867 HydrophobicContact CG-CG2 4.28Å |
| 797 | A | 90.4 | Very high | 92.7 | Very high | 40 Ų | 40 | 29 Ų | 29 | 33% | 0.331 | 19% | 0.185 | S | C | . | . | G | 310 helix | trans | -68.5 | -19.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | N756 K795 F799 I809 | N756-A797 HydrophobicContact CB-CB 4.26Å; K795-A797 HydrophobicContact CG-CB 4.31Å; K795-A797 PolarHBondContact O-N 3.45Å; A797-F799 VanDerWaalsContact C-N 3.27Å; A797-I809 WeakPolarHBondContact O-CD1 3.45Å |
| 798 | N | 93.6 | Very high | 92.8 | Very high | 4 Ų | 4 | 26 Ų | 26 | 2% | 0.021 | 17% | 0.172 | C | C | . | . | G | 310 helix | trans | -79.1 | -10.5 | 175.6 | -54.1 | 105.1 | 0 | 0 | 0 | 112.7 | D793 K795 P796 L808 I809 D810 | D793-N798 PolarHBondContact O-OD1 3.2Å; D793-N798 VanDerWaalsContact O-OD1 3.11Å; K795-N798 WeakPolarHBondContact CG-OD1 3.45Å; K795-N798 PolarHBondContact N-OD1 3.46Å; K795-N798 PolarHBondContact O-N 3.27Å; K795-N798 PolarHBondContact O-OD1 3.22Å; K795-N798 VanDerWaalsContact O-OD1 3.11Å; P796-N798 VanDerWaalsContact C-N 3.27Å; P796-N798 PolarHBondContact O-N 3.21Å; N798-L808 HydrophobicContact CB-CD1 3.95Å; N798-L808 WeakPolarHBondContact O-CA 3.43Å; N798-I809 WeakPolarHBondContact O-CG1 3.38Å; N798-I809 PolarHBondContact O-N 3.45Å; N798-D810 VanDerWaalsContact CB-OD1 3.32Å; N798-D810 WeakPolarHBondContact CB-OD1 3.26Å; N798-D810 VanDerWaalsContact ND2-CG 3.27Å; N798-D810 PolarHBondContact ND2-OD1 3.05Å; N798-D810 PolarHBondContact ND2-OD2 2.9Å; N798-D810 VanDerWaalsContact ND2-OD2 3.08Å |
| 799 | F | 96.3 | Very high | 93 | Very high | 1 Ų | 1 | 25.1 Ų | 25.1 | 0% | 0.004 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 129.3 | -178.7 | -64.4 | -77.1 | 0 | 0 | 0 | 110.9 | L755 M777 V781 L794 P796 A797 L806 K807 L808 L864 I867 | L755-F799 HydrophobicContact CB-CB 4.1Å; L755-F799 WeakPolarHBondContact CB-O 3.45Å; L755-F799 HydrophobicContact CD2-CB 4.2Å; L755-F799 PolarHBondContact N-O 3.46Å; M777-F799 HydrophobicContact CB-CE1 4.07Å; M777-F799 HydrophobicContact CB-CZ 4.07Å; M777-F799 HydrophobicContact CG-CD1 3.84Å; M777-F799 HydrophobicContact CG-CD2 4.25Å; M777-F799 HydrophobicContact CG-CE1 3.7Å; M777-F799 HydrophobicContact CG-CE2 4.12Å; M777-F799 HydrophobicContact CG-CG 4.11Å; M777-F799 HydrophobicContact CG-CZ 3.84Å; M777-F799 HydrophobicContact SD-CD2 3.94Å; M777-F799 HydrophobicContact SD-CE2 3.93Å; M777-F799 HydrophobicContact SD-CG 4.26Å; M777-F799 HydrophobicContact SD-CZ 4.24Å; V781-F799 HydrophobicContact CG2-CZ 4.21Å; L794-F799 HydrophobicContact CD2-CE2 3.94Å; L794-F799 HydrophobicContact CD2-CZ 3.85Å; P796-F799 PolarHBondContact O-N 2.96Å; A797-F799 VanDerWaalsContact C-N 3.27Å; F799-L806 HydrophobicContact CB-CD2 4.21Å; F799-K807 CarbonylContact C-O 3.5Å; F799-K807 VanDerWaalsContact CA-O 3.31Å; F799-K807 WeakPolarHBondContact CA-O 3.46Å; F799-L808 HydrophobicContact CD1-CB 4.27Å; F799-L808 HydrophobicContact CD1-CD1 4.27Å; F799-L808 HydrophobicContact CE1-CB 4.04Å; F799-L808 HydrophobicContact CE1-CD1 3.86Å; F799-L808 HydrophobicContact CE1-CG 4.5Å; F799-L808 HydrophobicContact CZ-CD1 4.09Å; F799-L864 HydrophobicContact CE2-CD2 4.11Å; F799-L864 HydrophobicContact CZ-CD2 3.97Å; F799-I867 HydrophobicContact CD2-CD1 4.31Å; F799-I867 HydrophobicContact CE2-CD1 3.97Å |
| 800 | V | 95.4 | Very high | 92.8 | Very high | 21 Ų | 21 | 25.6 Ų | 25.6 | 13% | 0.127 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 137.7 | 179.1 | 166.7 | 0 | 0 | 0 | 0 | 110.3 | D754 V802 L806 K807 I809 | D754-V800 HydrophobicContact CB-CG2 4.13Å; V800-V802 HydrophobicContact CG1-CG2 4.12Å; V800-L806 CarbonylContact O-C 3.59Å; V800-L806 WeakPolarHBondContact O-CA 3.46Å; V800-K807 PolarHBondContact N-O 3.37Å; V800-K807 PolarHBondContact O-N 3.02Å; V800-I809 HydrophobicContact CB-CG2 3.71Å; V800-I809 HydrophobicContact CG2-CD1 4.04Å; V800-I809 HydrophobicContact CG2-CG2 3.55Å |
| 801 | I | 94.8 | Very high | 92.5 | Very high | 11 Ų | 11 | 24.1 Ų | 24.1 | 6% | 0.056 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 118.9 | 174.2 | -59.1 | 167.5 | 0 | 0 | 0 | 108.2 | G751 N752 L753 W758 Y773 S805 L806 | G751-I801 CarbonylContact C-O 3.51Å; G751-I801 WeakPolarHBondContact CA-O 3.49Å; N752-I801 PolarHBondContact N-O 2.94Å; N752-I801 PolarHBondContact OD1-O 3.46Å; L753-I801 PolarHBondContact O-N 3.22Å; W758-I801 HydrophobicContact CB-CD1 3.89Å; W758-I801 HydrophobicContact CD2-CD1 4.04Å; W758-I801 HydrophobicContact CG-CD1 3.46Å; W758-I801 VanDerWaalsContact CG-CD1 3.46Å; Y773-I801 HydrophobicContact CE2-CD1 4.3Å; I801-S805 CarbonylContact C-O 3.52Å; I801-S805 WeakPolarHBondContact CA-O 3.38Å; I801-L806 HydrophobicContact CB-CD2 4.42Å; I801-L806 HydrophobicContact CD1-CD2 4.47Å; I801-L806 HydrophobicContact CG1-CD2 3.42Å; I801-L806 VanDerWaalsContact CG1-CD2 3.42Å; I801-L806 HydrophobicContact CG1-CG 4.49Å |
| 802 | V | 93.3 | Very high | 91.7 | Very high | 4 Ų | 4 | 24.1 Ų | 24.1 | 2% | 0.024 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 121.1 | 171.8 | -165.4 | 0 | 0 | 0 | 0 | 108.3 | I732 E749 V800 A804 S805 K807 | I732-V802 HydrophobicContact CD1-CG2 3.95Å; E749-V802 HydrophobicContact CG-CG1 3.76Å; E749-V802 HydrophobicContact CG-CG2 4.42Å; V800-V802 HydrophobicContact CG1-CG2 4.12Å; V802-A804 PolarHBondContact O-N 3.42Å; V802-A804 VanDerWaalsContact O-N 3.16Å; V802-S805 PolarHBondContact N-O 3.39Å; V802-S805 PolarHBondContact O-N 3.18Å; V802-K807 HydrophobicContact CB-CD 4.35Å; V802-K807 HydrophobicContact CG2-CD 3.94Å; V802-K807 HydrophobicContact CG2-CG 4.17Å |
| 803 | N | 89.8 | Confident | 91 | Very high | 139 Ų | 139 | 23.6 Ų | 23.6 | 74% | 0.743 | 14% | 0.14 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51 | 41.7 | 178 | -60.2 | -38.3 | 0 | 0 | 0 | 112.9 | N752 S805 | N752-N803 PolarHBondContact OD1-N 2.89Å; N752-N803 VanDerWaalsContact OD1-N 3.13Å; N803-S805 VanDerWaalsContact C-N 3.25Å; N803-S805 PolarHBondContact O-N 3.16Å |
| 804 | A | 89.8 | Confident | 89.8 | Confident | 62 Ų | 62 | 21.8 Ų | 21.8 | 51% | 0.512 | 13% | 0.131 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.9 | 11.7 | -174.8 | 0 | 0 | 0 | 0 | 0 | 117.1 | F772 Y773 V802 | F772-A804 WeakPolarHBondContact CE1-O 3.46Å; Y773-A804 WeakPolarHBondContact CE1-O 3.24Å; V802-A804 PolarHBondContact O-N 3.42Å; V802-A804 VanDerWaalsContact O-N 3.16Å |
| 805 | S | 94.1 | Very high | 88 | Confident | 23 Ų | 23 | 25.4 Ų | 25.4 | 16% | 0.161 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 144.7 | 165.6 | -172.9 | 0 | 0 | 0 | 0 | 110.7 | N776 I801 V802 N803 | N776-S805 PolarHBondContact OD1-OG 3.23Å; I801-S805 CarbonylContact C-O 3.52Å; I801-S805 WeakPolarHBondContact CA-O 3.38Å; V802-S805 PolarHBondContact N-O 3.39Å; V802-S805 PolarHBondContact O-N 3.18Å; N803-S805 VanDerWaalsContact C-N 3.25Å; N803-S805 PolarHBondContact O-N 3.16Å |
| 806 | L | 96.6 | Very high | 86 | Confident | 1 Ų | 1 | 28.7 Ų | 28.7 | 1% | 0.005 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 146.4 | 165.2 | -75.3 | -179.5 | 0 | 0 | 0 | 111.2 | L755 Y773 N776 M777 F799 V800 I801 | L755-L806 HydrophobicContact CB-CD2 4.15Å; L755-L806 HydrophobicContact CD1-CD1 4.39Å; L755-L806 HydrophobicContact CD1-CD2 4.28Å; L755-L806 HydrophobicContact CD2-CD1 3.91Å; Y773-L806 HydrophobicContact CD1-CD1 4.21Å; Y773-L806 HydrophobicContact CD1-CG 3.85Å; Y773-L806 HydrophobicContact CD2-CD1 4.27Å; Y773-L806 HydrophobicContact CD2-CG 4.41Å; Y773-L806 HydrophobicContact CE1-CG 4.41Å; Y773-L806 HydrophobicContact CG-CD1 3.76Å; Y773-L806 HydrophobicContact CG-CG 3.88Å; N776-L806 HydrophobicContact CB-CB 3.96Å; N776-L806 PolarHBondContact OD1-N 2.79Å; M777-L806 HydrophobicContact CE-CD1 4.47Å; M777-L806 HydrophobicContact CG-CD1 3.76Å; M777-L806 HydrophobicContact SD-CD1 4.09Å; F799-L806 HydrophobicContact CB-CD2 4.21Å; V800-L806 CarbonylContact O-C 3.59Å; V800-L806 WeakPolarHBondContact O-CA 3.46Å; I801-L806 HydrophobicContact CB-CD2 4.42Å; I801-L806 HydrophobicContact CD1-CD2 4.47Å; I801-L806 HydrophobicContact CG1-CD2 3.42Å; I801-L806 VanDerWaalsContact CG1-CD2 3.42Å; I801-L806 HydrophobicContact CG1-CG 4.49Å |
| 807 | K | 97.8 | Very high | 83.6 | Confident | 10 Ų | 10 | 30.6 Ų | 30.6 | 4% | 0.043 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 143 | 171.4 | -55.5 | -164.5 | 177.9 | -156.2 | 0 | 111.6 | D729 Q730 I732 E749 F799 V800 V802 | D729-K807 WeakPolarHBondContact O-CD 3.44Å; D729-K807 WeakPolarHBondContact O-CE 3.24Å; D729-K807 PolarHBondContact O-NZ 3.26Å; Q730-K807 CarbonylContact O-C 3.58Å; Q730-K807 WeakPolarHBondContact O-CA 3.39Å; I732-K807 HydrophobicContact CD1-CB 4.4Å; I732-K807 HydrophobicContact CD1-CD 4.21Å; E749-K807 IonicContact OE1-NZ 3.8Å; E749-K807 PolarHBondContact OE1-NZ 3.06Å; E749-K807 WeakPolarHBondContact OE2-CD 3.47Å; E749-K807 WeakPolarHBondContact OE2-CE 3.47Å; E749-K807 IonicContact OE2-NZ 3.92Å; E749-K807 PolarHBondContact OE2-NZ 2.99Å; F799-K807 CarbonylContact C-O 3.5Å; F799-K807 VanDerWaalsContact CA-O 3.31Å; F799-K807 WeakPolarHBondContact CA-O 3.46Å; V800-K807 PolarHBondContact N-O 3.37Å; V800-K807 PolarHBondContact O-N 3.02Å; V802-K807 HydrophobicContact CB-CD 4.35Å; V802-K807 HydrophobicContact CG2-CD 3.94Å; V802-K807 HydrophobicContact CG2-CG 4.17Å |
| 808 | L | 96.9 | Very high | 81.1 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 132 | 172.3 | -178.7 | 65.1 | 0 | 0 | 0 | 110.2 | Q730 I731 I732 A780 I784 L794 N798 F799 D810 F811 | Q730-L808 PolarHBondContact O-N 3.25Å; I731-L808 HydrophobicContact CD1-CB 4.25Å; I731-L808 HydrophobicContact CD1-CD2 4.31Å; I732-L808 PolarHBondContact N-O 3.25Å; A780-L808 HydrophobicContact CB-CB 3.89Å; A780-L808 HydrophobicContact CB-CD2 4.49Å; I784-L808 HydrophobicContact CD1-CD2 4.12Å; I784-L808 HydrophobicContact CG2-CD2 4.19Å; L794-L808 HydrophobicContact CD2-CD1 3.98Å; N798-L808 HydrophobicContact CB-CD1 3.95Å; N798-L808 WeakPolarHBondContact O-CA 3.43Å; F799-L808 HydrophobicContact CD1-CB 4.27Å; F799-L808 HydrophobicContact CD1-CD1 4.27Å; F799-L808 HydrophobicContact CE1-CB 4.04Å; F799-L808 HydrophobicContact CE1-CD1 3.86Å; F799-L808 HydrophobicContact CE1-CG 4.5Å; F799-L808 HydrophobicContact CZ-CD1 4.09Å; L808-D810 WeakPolarHBondContact CD1-O 3.25Å; L808-D810 VanDerWaalsContact CG-O 3.29Å; L808-D810 WeakPolarHBondContact CG-O 3.22Å; L808-F811 HydrophobicContact CD2-CD1 3.92Å; L808-F811 HydrophobicContact CD2-CE1 4.06Å; L808-F811 HydrophobicContact CG-CD1 4.43Å; L808-F811 HydrophobicContact CG-CE1 4.48Å |
| 809 | I | 92.3 | Very high | 78.3 | Confident | 45 Ų | 45 | 36.8 Ų | 36.8 | 23% | 0.231 | 20% | 0.199 | C | C | . | . | trans | -105.4 | -16.2 | -171.1 | 75.6 | -172.9 | 0 | 0 | 0 | 115.4 | I732 A797 N798 V800 | I732-I809 HydrophobicContact CB-CG2 4.26Å; I732-I809 HydrophobicContact CG1-CG2 4.41Å; I732-I809 HydrophobicContact CG2-CB 4.33Å; A797-I809 WeakPolarHBondContact O-CD1 3.45Å; N798-I809 WeakPolarHBondContact O-CG1 3.38Å; N798-I809 PolarHBondContact O-N 3.45Å; V800-I809 HydrophobicContact CB-CG2 3.71Å; V800-I809 HydrophobicContact CG2-CD1 4.04Å; V800-I809 HydrophobicContact CG2-CG2 3.55Å | ||
| 810 | D | 87.5 | Confident | 75.1 | Confident | 23 Ų | 23 | 43.4 Ų | 43.4 | 12% | 0.123 | 23% | 0.234 | C | C | . | . | trans | -154.1 | 164.9 | -177.3 | 58 | -17.8 | 0 | 0 | 0 | 110 | H791 N798 L808 | H791-D810 PolarHBondContact NE2-O 3.48Å; H791-D810 IonicContact NE2-OD1 3.63Å; N798-D810 VanDerWaalsContact CB-OD1 3.32Å; N798-D810 WeakPolarHBondContact CB-OD1 3.26Å; N798-D810 VanDerWaalsContact ND2-CG 3.27Å; N798-D810 PolarHBondContact ND2-OD1 3.05Å; N798-D810 PolarHBondContact ND2-OD2 2.9Å; N798-D810 VanDerWaalsContact ND2-OD2 3.08Å; L808-D810 WeakPolarHBondContact CD1-O 3.25Å; L808-D810 VanDerWaalsContact CG-O 3.29Å; L808-D810 WeakPolarHBondContact CG-O 3.22Å | ||
| 811 | F | 84.8 | Confident | 72 | Confident | 1 Ų | 1 | 46.2 Ų | 46.2 | 0% | 0.004 | 25% | 0.251 | C | S | . | . | trans | -117.5 | 3.4 | -176.9 | -53.4 | -34.9 | 0 | 0 | 0 | 112.8 | E717 H720 L721 L724 I731 I784 I789 H791 L808 I813 | E717-F811 HydrophobicContact CG-CD2 4.4Å; E717-F811 PolarHBondContact OE1-N 3.49Å; H720-F811 HydrophobicContact CB-CD2 4.02Å; H720-F811 HydrophobicContact CB-CE2 3.93Å; L721-F811 HydrophobicContact CB-CE2 3.95Å; L721-F811 HydrophobicContact CB-CZ 4.3Å; L721-F811 HydrophobicContact CD1-CE2 4.32Å; L721-F811 HydrophobicContact CD1-CZ 3.8Å; L724-F811 HydrophobicContact CD1-CE1 4.27Å; L724-F811 HydrophobicContact CD1-CE2 3.76Å; L724-F811 HydrophobicContact CD1-CZ 3.57Å; I731-F811 HydrophobicContact CD1-CE1 4.3Å; I731-F811 HydrophobicContact CG2-CE1 4.21Å; I731-F811 HydrophobicContact CG2-CZ 4.01Å; I784-F811 HydrophobicContact CG2-CD1 3.77Å; I784-F811 HydrophobicContact CG2-CE1 3.72Å; I784-F811 HydrophobicContact CG2-CG 4.49Å; I784-F811 HydrophobicContact CG2-CZ 4.36Å; I789-F811 HydrophobicContact CD1-CD2 4.23Å; I789-F811 HydrophobicContact CG2-CB 4.07Å; H791-F811 WeakPolarHBondContact CA-O 3.32Å; L808-F811 HydrophobicContact CD2-CD1 3.92Å; L808-F811 HydrophobicContact CD2-CE1 4.06Å; L808-F811 HydrophobicContact CG-CD1 4.43Å; L808-F811 HydrophobicContact CG-CE1 4.48Å; F811-I813 HydrophobicContact CB-CD1 4.08Å; F811-I813 HydrophobicContact CB-CG1 4.07Å; F811-I813 HydrophobicContact CD2-CD1 4.48Å; F811-I813 PolarHBondContact O-N 3.33Å | ||
| 812 | G | 74.1 | Confident | 69 | Low | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 29% | 0.294 | C | S | . | . | S | Bend | trans | 70.3 | 13.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | E717 R816 | E717-G812 PolarHBondContact OE1-N 3.18Å; G812-R816 PolarHBondContact O-N 3.35Å |
| 813 | I | 73.9 | Confident | 66.1 | Low | 31 Ų | 31 | 56.5 Ų | 56.5 | 16% | 0.159 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -71.3 | -52.9 | -175.7 | -65.8 | 175.2 | 0 | 0 | 0 | 109.9 | E717 I789 F811 N815 R816 | E717-I813 HydrophobicContact CB-CB 4.11Å; E717-I813 HydrophobicContact CB-CG2 4.45Å; E717-I813 HydrophobicContact CG-CB 4.27Å; E717-I813 PolarHBondContact OE2-N 2.98Å; I789-I813 HydrophobicContact CG2-CD1 4.26Å; F811-I813 HydrophobicContact CB-CD1 4.08Å; F811-I813 HydrophobicContact CB-CG1 4.07Å; F811-I813 HydrophobicContact CD2-CD1 4.48Å; F811-I813 PolarHBondContact O-N 3.33Å; I813-N815 VanDerWaalsContact C-N 3.27Å; I813-N815 PolarHBondContact O-N 3.09Å; I813-R816 PolarHBondContact O-N 3.45Å |
| 814 | A | 62.3 | Low | 63.3 | Low | 5 Ų | 5 | 54.2 Ų | 54.2 | 4% | 0.041 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -66 | -30.1 | 178 | 0 | 0 | 0 | 0 | 0 | 113 | S713 Y714 E717 R816 I817 | S713-A814 VanDerWaalsContact OG-CA 3.29Å; S713-A814 WeakPolarHBondContact OG-CA 3.3Å; S713-A814 WeakPolarHBondContact OG-CB 3.44Å; Y714-A814 HydrophobicContact CD1-CB 3.43Å; Y714-A814 VanDerWaalsContact CD1-CB 3.43Å; Y714-A814 HydrophobicContact CE1-CB 3.46Å; Y714-A814 VanDerWaalsContact CE1-CB 3.46Å; Y714-A814 HydrophobicContact CG-CB 4.13Å; E717-A814 VanDerWaalsContact OE2-CB 3.26Å; E717-A814 WeakPolarHBondContact OE2-CB 3.39Å; E717-A814 PolarHBondContact OE2-N 2.81Å; A814-R816 PolarHBondContact O-N 3.28Å; A814-I817 PolarHBondContact O-N 3.24Å |
| 815 | N | 56 | Low | 60.5 | Low | 76 Ų | 76 | 56.6 Ų | 56.6 | 41% | 0.406 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -65.5 | -24.1 | 177.3 | -67.8 | -11.3 | 0 | 0 | 0 | 113.1 | I813 | I813-N815 VanDerWaalsContact C-N 3.27Å; I813-N815 PolarHBondContact O-N 3.09Å |
| 816 | R | 52.8 | Low | 57.6 | Low | 105 Ų | 105 | 61 Ų | 61 | 40% | 0.396 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -79.2 | -22.2 | 177.9 | -75 | -171.5 | -172 | 143.1 | 13.3 | 114.2 | I790 H791 S792 G812 I813 A814 Q818 | I790-R816 PolarHBondContact O-NH2 2.89Å; H791-R816 VanDerWaalsContact C-NH2 3.33Å; H791-R816 PolarHBondContact O-NH2 2.93Å; S792-R816 PolarHBondContact OG-NE 2.85Å; S792-R816 VanDerWaalsContact OG-NE 3.13Å; S792-R816 PolarHBondContact OG-NH2 2.82Å; G812-R816 PolarHBondContact O-N 3.35Å; I813-R816 PolarHBondContact O-N 3.45Å; A814-R816 PolarHBondContact O-N 3.28Å; R816-Q818 PolarHBondContact O-N 3.25Å |
| 817 | I | 43.3 | Very low | 54.5 | Low | 40 Ų | 40 | 68 Ų | 68 | 21% | 0.205 | 36% | 0.361 | C | S | . | . | trans | -90.6 | 53.2 | -174 | -45.2 | -150.6 | 0 | 0 | 0 | 110.5 | Q709 A814 | Q709-I817 HydrophobicContact CB-CG2 3.86Å; Q709-I817 HydrophobicContact CG-CD1 4.46Å; Q709-I817 HydrophobicContact CG-CG2 3.61Å; A814-I817 PolarHBondContact O-N 3.24Å | ||
| 818 | Q | 37.6 | Very low | 51.6 | Low | 111 Ų | 111 | 72.9 Ų | 72.9 | 52% | 0.519 | 40% | 0.396 | S | S | . | . | trans | -117.7 | 72.9 | 157.2 | -81.1 | 161 | 84.8 | 0 | 0 | 107.3 | R816 | R816-Q818 PolarHBondContact O-N 3.25Š| ||
| 819 | P | 34.4 | Very low | 48.9 | Very low | 64 Ų | 64 | 77.3 Ų | 77.3 | 42% | 0.416 | 42% | 0.416 | S | S | . | . | trans | -64.3 | 153.5 | 173 | 30 | -34.9 | 0 | 0 | 0 | 110.7 | V821 | P819-V821 PolarHBondContact O-N 2.79Š| ||
| 820 | D | 30.6 | Very low | 46.2 | Very low | 139 Ų | 139 | 79 Ų | 79 | 74% | 0.743 | 43% | 0.429 | S | S | * | . | S | Bend | trans | 59.5 | 38.1 | 158.3 | -50.3 | -24.9 | 0 | 0 | 0 | 117.3 | ||
| 821 | V | 30.3 | Very low | 44.3 | Very low | 81 Ų | 81 | 79.8 Ų | 79.8 | 49% | 0.491 | 44% | 0.442 | S | S | . | . | trans | -118.7 | 90.4 | 156 | -148.4 | 0 | 0 | 0 | 0 | 110.2 | P819 S823 | P819-V821 PolarHBondContact O-N 2.79Å; V821-S823 WeakPolarHBondContact CG1-O 3.27Å; V821-S823 PolarHBondContact O-N 3.2Å | ||
| 822 | T | 30.9 | Very low | 43.4 | Very low | 155 Ų | 155 | 80.8 Ų | 80.8 | 95% | 0.951 | 45% | 0.448 | S | S | * | . | trans | -82.3 | 23.1 | 175.4 | 45.8 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 823 | S | 32.6 | Very low | 43.8 | Very low | 75 Ų | 75 | 81.5 Ų | 81.5 | 52% | 0.524 | 45% | 0.452 | S | S | . | . | S | Bend | trans | -148.3 | 165.9 | 174.8 | 63.4 | 0 | 0 | 0 | 0 | 110.3 | V821 | V821-S823 WeakPolarHBondContact CG1-O 3.27Å; V821-S823 PolarHBondContact O-N 3.2Å |
| 824 | I | 30.8 | Very low | 44.6 | Very low | 92 Ų | 92 | 80.9 Ų | 80.9 | 47% | 0.472 | 45% | 0.449 | S | S | . | . | trans | 64.9 | 84.4 | -175.9 | -44.3 | 176.9 | 0 | 0 | 0 | 112.6 | V466 K826 | V466-I824 HydrophobicContact CG2-CD1 3.98Å; I824-K826 PolarHBondContact O-N 2.7Å | ||
| 825 | M | 31.2 | Very low | 46.1 | Very low | 112 Ų | 112 | 81.6 Ų | 81.6 | 55% | 0.552 | 45% | 0.451 | S | S | * | . | trans | -56.9 | 124.9 | 154.6 | -70.2 | -179.9 | 172.5 | 0 | 0 | 108.1 | L833 | M825-L833 HydrophobicContact CE-CD1 4.24Š| ||
| 826 | K | 33.7 | Very low | 47.9 | Very low | 115 Ų | 115 | 80.9 Ų | 80.9 | 50% | 0.5 | 45% | 0.446 | S | S | . | . | trans | -72 | 144.8 | 168.8 | -70.4 | 173 | 175.9 | 172.4 | 0 | 109 | I824 S828 Q829 | I824-K826 PolarHBondContact O-N 2.7Å; K826-S828 PolarHBondContact O-N 3.27Å; K826-Q829 WeakPolarHBondContact O-CA 3.32Å; K826-Q829 WeakPolarHBondContact O-CB 3.4Å; K826-Q829 PolarHBondContact O-N 3.4Å | ||
| 827 | D | 31.5 | Very low | 49.8 | Very low | 149 Ų | 149 | 76.1 Ų | 76.1 | 80% | 0.797 | 43% | 0.429 | S | S | * | . | G | 310 helix | trans | -58.3 | -28.8 | -176.2 | -54 | -80.4 | 0 | 0 | 0 | 113.1 | Q829 | D827-Q829 PolarHBondContact O-N 3Å; D827-Q829 VanDerWaalsContact O-N 3.1Å |
| 828 | S | 35.8 | Very low | 52.1 | Low | 111 Ų | 111 | 74.2 Ų | 74.2 | 78% | 0.776 | 42% | 0.419 | S | S | * | . | G | 310 helix | trans | -60.6 | -15.9 | 172 | -36.8 | 0 | 0 | 0 | 0 | 114.5 | K826 | K826-S828 PolarHBondContact O-N 3.27Š|
| 829 | Q | 39.9 | Very low | 54.5 | Low | 93 Ų | 93 | 69.9 Ų | 69.9 | 44% | 0.435 | 40% | 0.399 | S | S | . | . | G | 310 helix | trans | -97 | -14.5 | -168 | -148.5 | 170.5 | 22.9 | 0 | 0 | 113.8 | K826 D827 G831 T832 | K826-Q829 WeakPolarHBondContact O-CA 3.32Å; K826-Q829 WeakPolarHBondContact O-CB 3.4Å; K826-Q829 PolarHBondContact O-N 3.4Å; D827-Q829 PolarHBondContact O-N 3Å; D827-Q829 VanDerWaalsContact O-N 3.1Å; Q829-G831 PolarHBondContact O-N 2.95Å; Q829-G831 VanDerWaalsContact O-N 3.11Å; Q829-T832 WeakPolarHBondContact O-CB 3.41Å; Q829-T832 PolarHBondContact O-N 3.28Å |
| 830 | V | 35.8 | Very low | 56.9 | Low | 81 Ų | 81 | 68.9 Ų | 68.9 | 49% | 0.491 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55 | -33.3 | -176.1 | 179.7 | 0 | 0 | 0 | 0 | 113 | Q884 | V830-Q884 PolarHBondContact O-NE2 3.03Š|
| 831 | G | 48.8 | Very low | 59.4 | Low | 40 Ų | 40 | 63.7 Ų | 63.7 | 41% | 0.412 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | -11.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | Q829 N834 | Q829-G831 PolarHBondContact O-N 2.95Å; Q829-G831 VanDerWaalsContact O-N 3.11Å; G831-N834 PolarHBondContact O-ND2 2.82Å |
| 832 | T | 64.3 | Low | 61.3 | Low | 21 Ų | 21 | 64.3 Ų | 64.3 | 13% | 0.129 | 36% | 0.363 | C | S | . | . | G | 310 helix | trans | -78.2 | -33 | -171.3 | -64.8 | 0 | 0 | 0 | 0 | 112.6 | D793 K795 Q829 N834 Y835 | D793-T832 VanDerWaalsContact OD1-CG2 3.29Å; D793-T832 WeakPolarHBondContact OD1-CG2 3.23Å; K795-T832 HydrophobicContact CD-CG2 4.29Å; Q829-T832 WeakPolarHBondContact O-CB 3.41Å; Q829-T832 PolarHBondContact O-N 3.28Å; T832-N834 PolarHBondContact O-N 3.4Å; T832-Y835 PolarHBondContact O-N 3.25Å; T832-Y835 VanDerWaalsContact O-N 3.11Å |
| 833 | L | 83.4 | Confident | 62.7 | Low | 15 Ų | 15 | 59.7 Ų | 59.7 | 8% | 0.079 | 33% | 0.333 | C | S | . | . | G | 310 helix | trans | -59 | -21.8 | -178.6 | -60 | -177.2 | 0 | 0 | 0 | 113.9 | M825 Y835 M836 Q884 | M825-L833 HydrophobicContact CE-CD1 4.24Å; L833-Y835 PolarHBondContact O-N 3.32Å; L833-Y835 VanDerWaalsContact O-N 3.17Å; L833-M836 HydrophobicContact CD2-CE 3.6Å; L833-M836 HydrophobicContact CD2-SD 4.23Å; L833-M836 WeakPolarHBondContact O-CB 2.96Å; L833-M836 PolarHBondContact O-N 3.4Å; L833-Q884 HydrophobicContact CD1-CB 4.01Å; L833-Q884 HydrophobicContact CD1-CG 4.32Å |
| 834 | N | 91.1 | Very high | 63.7 | Low | 18 Ų | 18 | 61.9 Ų | 61.9 | 10% | 0.096 | 34% | 0.344 | C | S | . | . | G | 310 helix | trans | -63.7 | -17.4 | 178 | -61.1 | -24.3 | 0 | 0 | 0 | 113.9 | G831 T832 C866 T876 K887 | G831-N834 PolarHBondContact O-ND2 2.82Å; T832-N834 PolarHBondContact O-N 3.4Å; N834-C866 PolarHBondContact O-SG 2.94Å; N834-C866 VanDerWaalsContact O-SG 3.35Å; N834-T876 HydrophobicContact CB-CG2 4.21Å; N834-K887 WeakPolarHBondContact OD1-CD 3.47Å; N834-K887 WeakPolarHBondContact OD1-CE 3.19Å; N834-K887 PolarHBondContact OD1-NZ 3.16Å |
| 835 | Y | 94.3 | Very high | 64.6 | Low | 21 Ų | 21 | 62.7 Ų | 62.7 | 8% | 0.082 | 36% | 0.357 | C | S | . | . | G | 310 helix | trans | -108.9 | -0.7 | -179.2 | -52.7 | -84.4 | 0 | 0 | 0 | 113 | L794 K795 P796 T832 L833 S863 C866 I867 T876 | L794-Y835 WeakPolarHBondContact O-CB 3.42Å; K795-Y835 HydrophobicContact CB-CD2 3.79Å; K795-Y835 HydrophobicContact CB-CE2 4.02Å; K795-Y835 HydrophobicContact CB-CG 4.18Å; P796-Y835 WeakPolarHBondContact CD-OH 3.46Å; P796-Y835 HydrophobicContact CG-CE1 4.11Å; T832-Y835 PolarHBondContact O-N 3.25Å; T832-Y835 VanDerWaalsContact O-N 3.11Å; L833-Y835 PolarHBondContact O-N 3.32Å; L833-Y835 VanDerWaalsContact O-N 3.17Å; Y835-S863 WeakPolarHBondContact O-CB 3.45Å; Y835-S863 PolarHBondContact O-OG 2.89Å; Y835-C866 HydrophobicContact CD1-CB 3.61Å; Y835-C866 HydrophobicContact CE1-CB 4.2Å; Y835-C866 HydrophobicContact CG-CB 4.45Å; Y835-I867 HydrophobicContact CD1-CG1 3.81Å; Y835-I867 HydrophobicContact CE1-CG1 3.74Å; Y835-T876 HydrophobicContact CE1-CG2 3.74Å |
| 836 | M | 92 | Very high | 65 | Low | 60 Ų | 60 | 61 Ų | 61 | 30% | 0.296 | 36% | 0.356 | S | S | . | . | trans | -73.3 | 132.1 | -174 | -175.4 | 174 | -77.1 | 0 | 0 | 111.9 | L833 A840 I841 W862 L888 | L833-M836 HydrophobicContact CD2-CE 3.6Å; L833-M836 HydrophobicContact CD2-SD 4.23Å; L833-M836 WeakPolarHBondContact O-CB 2.96Å; L833-M836 PolarHBondContact O-N 3.4Å; M836-A840 HydrophobicContact CG-CB 4.43Å; M836-I841 HydrophobicContact CG-CD1 4.41Å; M836-I841 HydrophobicContact CG-CG1 4.16Å; M836-I841 HydrophobicContact SD-CD1 4.21Å; M836-I841 HydrophobicContact SD-CG1 3.7Å; M836-W862 PolarHBondContact O-NE1 3.09Å; M836-L888 HydrophobicContact SD-CD2 3.95Å | ||
| 837 | P | 92.7 | Very high | 65.2 | Low | 6 Ų | 6 | 63.1 Ų | 63.1 | 4% | 0.039 | 37% | 0.368 | C | S | . | . | trans | -79.7 | 148.8 | 178.6 | 32.4 | -35.6 | 0 | 0 | 0 | 113 | E839 A840 W862 | P837-E839 VanDerWaalsContact C-N 3.29Å; P837-E839 HydrophobicContact CB-CG 4.43Å; P837-E839 PolarHBondContact O-N 2.95Å; P837-A840 HydrophobicContact CG-CB 4.16Å; P837-A840 PolarHBondContact O-N 3.04Å; P837-W862 VanDerWaalsContact CA-CD1 3.45Å; P837-W862 HydrophobicContact CB-CB 4.08Å; P837-W862 HydrophobicContact CB-CG 3.96Å | ||
| 838 | P | 92.3 | Very high | 65.3 | Low | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -65.3 | -26.5 | -173.9 | 25.2 | -34.6 | 0 | 0 | 0 | 114.2 | K842 W862 I891 I892 R918 | P838-K842 WeakPolarHBondContact O-CG 3.39Å; P838-K842 PolarHBondContact O-N 2.69Å; P838-W862 HydrophobicContact CG-CE3 4.35Å; P838-W862 HydrophobicContact CG-CH2 4.2Å; P838-W862 HydrophobicContact CG-CZ2 4.47Å; P838-W862 HydrophobicContact CG-CZ3 4.13Å; P838-I891 HydrophobicContact CB-CG2 3.92Å; P838-I892 HydrophobicContact CB-CG2 4.25Å; P838-R918 HydrophobicContact CG-CB 4.33Å; P838-R918 HydrophobicContact CG-CG 4.4Å; P838-R918 WeakPolarHBondContact CG-O 3.15Å |
| 839 | E | 88 | Confident | 65.5 | Low | 20 Ų | 20 | 60.8 Ų | 60.8 | 9% | 0.093 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -66.2 | -35.8 | 175.1 | 57.1 | -92.1 | -149.1 | 0 | 0 | 113.3 | P837 I841 K842 D843 G859 P920 R923 | P837-E839 VanDerWaalsContact C-N 3.29Å; P837-E839 HydrophobicContact CB-CG 4.43Å; P837-E839 PolarHBondContact O-N 2.95Å; E839-I841 VanDerWaalsContact C-N 3.27Å; E839-I841 PolarHBondContact O-N 3.05Å; E839-K842 PolarHBondContact O-N 3.05Å; E839-D843 PolarHBondContact O-N 2.67Å; E839-G859 WeakPolarHBondContact OE1-CA 3.33Å; E839-P920 HydrophobicContact CB-CG 4.45Å; E839-R923 IonicContact OE1-CZ 3.66Å; E839-R923 IonicContact OE1-NH1 2.98Å; E839-R923 PolarHBondContact OE1-NH1 3.31Å; E839-R923 IonicContact OE1-NH2 3.9Å; E839-R923 IonicContact OE2-CZ 3.81Å; E839-R923 IonicContact OE2-NH1 2.72Å; E839-R923 PolarHBondContact OE2-NH1 2.82Å; E839-R923 IonicContact OE2-NH2 2.67Å; E839-R923 PolarHBondContact OE2-NH2 3.14Å |
| 840 | A | 84.9 | Confident | 65.4 | Low | 42 Ų | 42 | 65 Ų | 65 | 35% | 0.347 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -64.8 | -34.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | M836 P837 T844 | M836-A840 HydrophobicContact CG-CB 4.43Å; P837-A840 HydrophobicContact CG-CB 4.16Å; P837-A840 PolarHBondContact O-N 3.04Å; A840-T844 PolarHBondContact O-OG1 3.31Å |
| 841 | I | 82.6 | Confident | 65.4 | Low | 30 Ų | 30 | 65.6 Ų | 65.6 | 15% | 0.154 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -71.6 | -42.7 | 176.4 | -54.3 | 169.7 | 0 | 0 | 0 | 110.2 | M836 E839 T844 L888 I891 I892 | M836-I841 HydrophobicContact CG-CD1 4.41Å; M836-I841 HydrophobicContact CG-CG1 4.16Å; M836-I841 HydrophobicContact SD-CD1 4.21Å; M836-I841 HydrophobicContact SD-CG1 3.7Å; E839-I841 VanDerWaalsContact C-N 3.27Å; E839-I841 PolarHBondContact O-N 3.05Å; I841-T844 PolarHBondContact O-N 3.33Å; I841-L888 HydrophobicContact CD1-CB 4.33Å; I841-L888 HydrophobicContact CD1-CD2 3.51Å; I841-L888 HydrophobicContact CG1-CD2 3.95Å; I841-I891 HydrophobicContact CD1-CB 3.97Å; I841-I891 HydrophobicContact CD1-CD1 4.39Å; I841-I891 HydrophobicContact CD1-CG2 3.62Å; I841-I892 HydrophobicContact CB-CG2 3.57Å; I841-I892 HydrophobicContact CD1-CG2 3.85Å; I841-I892 HydrophobicContact CG1-CG2 4.29Å; I841-I892 HydrophobicContact CG2-CD1 4.45Å; I841-I892 HydrophobicContact CG2-CG2 3.6Å |
| 842 | K | 71.4 | Confident | 65.2 | Low | 94 Ų | 94 | 74.8 Ų | 74.8 | 41% | 0.409 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -71.7 | -31.7 | -178.4 | -69.6 | 178.7 | -174.5 | -175.8 | 0 | 113.9 | P838 E839 T844 S845 S846 I892 | P838-K842 WeakPolarHBondContact O-CG 3.39Å; P838-K842 PolarHBondContact O-N 2.69Å; E839-K842 PolarHBondContact O-N 3.05Å; K842-T844 PolarHBondContact O-N 2.9Å; K842-S845 PolarHBondContact O-OG 2.9Å; K842-S846 PolarHBondContact O-OG 3.44Å; K842-I892 VanDerWaalsContact CE-CB 3.46Å; K842-I892 WeakPolarHBondContact CE-O 3.38Å; K842-I892 HydrophobicContact CG-CB 4.42Å; K842-I892 HydrophobicContact CG-CG2 4.04Å; K842-I892 PolarHBondContact NZ-O 3.27Å |
| 843 | D | 59.2 | Low | 64.4 | Low | 58 Ų | 58 | 78.3 Ų | 78.3 | 31% | 0.31 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -68 | -26.5 | 173.7 | -84.4 | 11.1 | 0 | 0 | 0 | 111.8 | E839 K854 | E839-D843 PolarHBondContact O-N 2.67Å; D843-K854 WeakPolarHBondContact OD2-CB 3.17Å; D843-K854 PolarHBondContact OD2-N 2.99Å |
| 844 | T | 54.5 | Low | 62.9 | Low | 122 Ų | 122 | 84.3 Ų | 84.3 | 75% | 0.748 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -75.6 | -27.1 | -178.1 | -56.9 | 0 | 0 | 0 | 0 | 113.3 | A840 I841 K842 S846 | A840-T844 PolarHBondContact O-OG1 3.31Å; I841-T844 PolarHBondContact O-N 3.33Å; K842-T844 PolarHBondContact O-N 2.9Å; T844-S846 VanDerWaalsContact C-N 3.34Å |
| 845 | S | 48.5 | Very low | 61.8 | Low | 109 Ų | 109 | 88.3 Ų | 88.3 | 76% | 0.762 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91 | 9.7 | 177 | 57.6 | 0 | 0 | 0 | 0 | 114.3 | K842 | K842-S845 PolarHBondContact O-OG 2.9Š|
| 846 | S | 39.7 | Very low | 61.2 | Low | 75 Ų | 75 | 88.7 Ų | 88.7 | 52% | 0.524 | 50% | 0.504 | S | S | . | . | S | Bend | trans | -89.5 | 136.6 | -178.5 | -69.4 | 0 | 0 | 0 | 0 | 112.6 | K842 T844 | K842-S846 PolarHBondContact O-OG 3.44Å; T844-S846 VanDerWaalsContact C-N 3.34Å |
| 847 | Q | 37.9 | Very low | 61.2 | Low | 161 Ų | 161 | 88.8 Ų | 88.8 | 75% | 0.752 | 51% | 0.508 | S | S | * | . | trans | -42.5 | 135.7 | -177.3 | -71.1 | -76.9 | -5.9 | 0 | 0 | 114.5 | G849 | Q847-G849 PolarHBondContact O-N 3.06Š| ||
| 848 | P | 33.7 | Very low | 61.3 | Low | 126 Ų | 126 | 90.7 Ų | 90.7 | 82% | 0.818 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | 128.9 | 177.2 | 27.1 | -34.3 | 0 | 0 | 0 | 110.8 | ||
| 849 | G | 41.4 | Very low | 61.5 | Low | 85 Ų | 85 | 91 Ų | 91 | 88% | 0.876 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 120 | -12.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | Q847 | Q847-G849 PolarHBondContact O-N 3.06Š|
| 850 | K | 36.6 | Very low | 61.8 | Low | 182 Ų | 182 | 90 Ų | 90 | 79% | 0.791 | 52% | 0.515 | S | S | * | . | S | Bend | trans | -85.9 | 143.6 | 165.3 | -81.7 | 179.6 | 176.1 | 172.6 | 0 | 111 | R852 | K850-R852 PolarHBondContact O-N 3.13Š|
| 851 | A | 36.3 | Very low | 62.5 | Low | 93 Ų | 93 | 88.1 Ų | 88.1 | 77% | 0.769 | 50% | 0.499 | S | S | * | . | trans | -59.7 | 126.4 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | S853 | A851-S853 PolarHBondContact O-N 3.49Š| ||
| 852 | R | 44.7 | Very low | 63.2 | Low | 232 Ų | 232 | 86.7 Ų | 86.7 | 88% | 0.875 | 49% | 0.491 | S | S | * | . | trans | -66.1 | 84 | 177.4 | -70.9 | 176.2 | 169.1 | 171.9 | -5.8 | 110.6 | K850 | K850-R852 PolarHBondContact O-N 3.13Š| ||
| 853 | S | 47.1 | Very low | 64.5 | Low | 95 Ų | 95 | 82.3 Ų | 82.3 | 66% | 0.664 | 47% | 0.472 | S | S | * | . | trans | -158.6 | 75.4 | -174.3 | -70.1 | 0 | 0 | 0 | 0 | 116.1 | A851 | A851-S853 PolarHBondContact O-N 3.49Š| ||
| 854 | K | 52.3 | Low | 66.3 | Low | 141 Ų | 141 | 79.5 Ų | 79.5 | 61% | 0.613 | 46% | 0.457 | S | S | * | . | trans | -136.7 | 24 | 150 | -62.2 | -176.1 | -176.7 | 153.8 | 0 | 115.2 | D843 S856 | D843-K854 WeakPolarHBondContact OD2-CB 3.17Å; D843-K854 PolarHBondContact OD2-N 2.99Å; K854-S856 PolarHBondContact O-N 2.91Å; K854-S856 VanDerWaalsContact O-N 3.1Å | ||
| 855 | I | 67 | Low | 68.4 | Low | 102 Ų | 102 | 73.7 Ų | 73.7 | 52% | 0.523 | 42% | 0.422 | S | S | . | . | trans | -57.2 | 119.3 | 159.4 | -60.6 | 178.8 | 0 | 0 | 0 | 106.9 | I790 | I790-I855 HydrophobicContact CB-CG2 4.22Å; I790-I855 HydrophobicContact CD1-CG2 4.31Å; I790-I855 HydrophobicContact CG2-CG2 3.86Å | ||
| 856 | S | 82.7 | Confident | 70.8 | Confident | 30 Ų | 30 | 68.5 Ų | 68.5 | 21% | 0.21 | 39% | 0.386 | C | S | . | . | trans | -140.9 | 154.5 | -170.9 | 75.2 | 0 | 0 | 0 | 0 | 111.8 | I790 K854 K858 G859 | I790-S856 WeakPolarHBondContact CG2-O 3.27Å; K854-S856 PolarHBondContact O-N 2.91Å; K854-S856 VanDerWaalsContact O-N 3.1Å; S856-K858 PolarHBondContact O-N 3.14Å; S856-G859 PolarHBondContact O-N 3.1Å | ||
| 857 | P | 92.1 | Very high | 73.6 | Confident | 61 Ų | 61 | 65 Ų | 65 | 40% | 0.396 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -55.5 | -24.7 | 176 | -27.8 | 36.9 | 0 | 0 | 0 | 114.1 | H785 I790 G859 D860 V861 | H785-P857 PolarHBondContact CE1-O 3.47Å; H785-P857 VanDerWaalsContact CE1-O 3.31Å; I790-P857 HydrophobicContact CD1-CG 4.15Å; I790-P857 HydrophobicContact CG1-CG 4.11Å; P857-G859 VanDerWaalsContact C-N 3.29Å; P857-G859 PolarHBondContact O-N 3.41Å; P857-D860 PolarHBondContact O-N 3.07Å; P857-V861 PolarHBondContact O-N 3.23Å |
| 858 | K | 95.4 | Very high | 76.5 | Confident | 47 Ų | 47 | 57.3 Ų | 57.3 | 20% | 0.204 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -70.9 | -23.8 | 177.4 | -60.8 | -81.2 | -170.6 | 170.9 | 0 | 112 | S856 V861 W862 P920 R923 I924 E928 | S856-K858 PolarHBondContact O-N 3.14Å; K858-V861 WeakPolarHBondContact O-CB 3.37Å; K858-V861 PolarHBondContact O-N 2.92Å; K858-W862 PolarHBondContact O-N 3.05Å; K858-P920 HydrophobicContact CB-CB 3.92Å; K858-P920 WeakPolarHBondContact CD-O 3.32Å; K858-P920 VanDerWaalsContact CG-O 3.24Å; K858-P920 WeakPolarHBondContact CG-O 3.26Å; K858-R923 VanDerWaalsContact C-NH1 3.34Å; K858-R923 WeakPolarHBondContact CD-O 3.46Å; K858-R923 WeakPolarHBondContact CE-O 3.36Å; K858-R923 PolarHBondContact NZ-O 3.31Å; K858-R923 VanDerWaalsContact O-CD 3.29Å; K858-R923 WeakPolarHBondContact O-CD 3.28Å; K858-R923 PolarHBondContact O-NH1 2.98Å; K858-I924 WeakPolarHBondContact CD-O 3.27Å; K858-I924 VanDerWaalsContact NZ-C 3.33Å; K858-I924 PolarHBondContact NZ-O 2.96Å; K858-E928 IonicContact NZ-OE2 2.83Å |
| 859 | G | 94.4 | Very high | 79.5 | Confident | 6 Ų | 6 | 51.3 Ų | 51.3 | 6% | 0.062 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61.9 | -46.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | E839 S856 P857 V861 W862 S863 | E839-G859 WeakPolarHBondContact OE1-CA 3.33Å; S856-G859 PolarHBondContact O-N 3.1Å; P857-G859 VanDerWaalsContact C-N 3.29Å; P857-G859 PolarHBondContact O-N 3.41Å; G859-V861 VanDerWaalsContact C-N 3.28Å; G859-V861 PolarHBondContact O-N 3.13Å; G859-W862 WeakPolarHBondContact O-CB 3.49Å; G859-W862 PolarHBondContact O-N 3.21Å; G859-W862 VanDerWaalsContact O-N 3.08Å; G859-S863 PolarHBondContact O-N 2.61Å; G859-S863 PolarHBondContact O-OG 2.87Å |
| 860 | D | 96.3 | Very high | 82.1 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -62 | -34.1 | 176.3 | -69.3 | -15.7 | 0 | 0 | 0 | 112.1 | V781 H785 I790 H791 S792 L794 P857 W862 S863 L864 | V781-D860 HydrophobicContact CG1-CB 4.09Å; H785-D860 IonicContact CD2-OD2 2.73Å; H785-D860 IonicContact CE1-OD2 2.81Å; H785-D860 IonicContact NE2-OD2 3.72Å; H785-D860 PolarHBondContact NE2-OD2 2.89Å; I790-D860 WeakPolarHBondContact CG2-OD2 3.48Å; H791-D860 PolarHBondContact N-OD2 3.13Å; S792-D860 WeakPolarHBondContact CA-OD1 3.36Å; S792-D860 PolarHBondContact N-OD1 3.31Å; L794-D860 HydrophobicContact CD1-CB 3.64Å; P857-D860 PolarHBondContact O-N 3.07Å; D860-W862 VanDerWaalsContact C-N 3.32Å; D860-W862 PolarHBondContact O-N 3.45Å; D860-S863 PolarHBondContact O-N 2.98Å; D860-L864 WeakPolarHBondContact O-CB 3.31Å; D860-L864 WeakPolarHBondContact O-CG 3.18Å; D860-L864 PolarHBondContact O-N 3.4Å |
| 861 | V | 98.4 | Very high | 85 | Confident | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.006 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -61.6 | -38.5 | 174 | 178.4 | 0 | 0 | 0 | 0 | 112.1 | P857 K858 G859 G865 C915 R923 I924 I926 L929 | P857-V861 PolarHBondContact O-N 3.23Å; K858-V861 WeakPolarHBondContact O-CB 3.37Å; K858-V861 PolarHBondContact O-N 2.92Å; G859-V861 VanDerWaalsContact C-N 3.28Å; G859-V861 PolarHBondContact O-N 3.13Å; V861-G865 PolarHBondContact O-N 2.84Å; V861-C915 HydrophobicContact CG1-CB 4.17Å; V861-R923 HydrophobicContact CG1-CG 4.25Å; V861-I924 HydrophobicContact CG1-CG2 3.98Å; V861-I924 WeakPolarHBondContact CG1-O 3.22Å; V861-I926 HydrophobicContact CG2-CD1 3.62Å; V861-I926 HydrophobicContact CG2-CG1 3.85Å; V861-L929 HydrophobicContact CG1-CD1 3.83Å |
| 862 | W | 97.9 | Very high | 87.8 | Confident | 1 Ų | 1 | 36.5 Ų | 36.5 | 0% | 0.004 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -67.3 | -46 | 176.4 | 170.2 | -79.1 | 0 | 0 | 0 | 111.1 | M836 P837 P838 K858 G859 D860 L864 G865 C866 F878 I891 I898 L916 R918 | M836-W862 PolarHBondContact O-NE1 3.09Å; P837-W862 VanDerWaalsContact CA-CD1 3.45Å; P837-W862 HydrophobicContact CB-CB 4.08Å; P837-W862 HydrophobicContact CB-CG 3.96Å; P838-W862 HydrophobicContact CG-CE3 4.35Å; P838-W862 HydrophobicContact CG-CH2 4.2Å; P838-W862 HydrophobicContact CG-CZ2 4.47Å; P838-W862 HydrophobicContact CG-CZ3 4.13Å; K858-W862 PolarHBondContact O-N 3.05Å; G859-W862 WeakPolarHBondContact O-CB 3.49Å; G859-W862 PolarHBondContact O-N 3.21Å; G859-W862 VanDerWaalsContact O-N 3.08Å; D860-W862 VanDerWaalsContact C-N 3.32Å; D860-W862 PolarHBondContact O-N 3.45Å; W862-L864 PolarHBondContact O-N 2.9Å; W862-G865 CarbonylContact O-C 3.51Å; W862-G865 VanDerWaalsContact O-CA 3.3Å; W862-G865 WeakPolarHBondContact O-CA 3.4Å; W862-G865 PolarHBondContact O-N 3.44Å; W862-C866 PolarHBondContact O-N 2.88Å; W862-F878 HydrophobicContact CH2-CE2 4.25Å; W862-F878 HydrophobicContact CH2-CZ 4.34Å; W862-F878 AromaticContact CZ2-CE2 3.77Å; W862-F878 HydrophobicContact CZ2-CE2 3.77Å; W862-F878 HydrophobicContact CZ2-CZ 4.26Å; W862-I891 HydrophobicContact CZ2-CG2 4.01Å; W862-I898 HydrophobicContact CH2-CD1 4.14Å; W862-L916 HydrophobicContact CD2-CD2 4.01Å; W862-L916 HydrophobicContact CE3-CD2 4.11Å; W862-L916 HydrophobicContact CG-CD2 4.44Å; W862-L916 HydrophobicContact CZ3-CB 4.38Å; W862-L916 HydrophobicContact CZ3-CD2 4.47Å; W862-L916 WeakPolarHBondContact CZ3-O 3.32Å; W862-R918 HydrophobicContact CH2-CG 4.06Å; W862-R918 HydrophobicContact CZ3-CG 4Å |
| 863 | S | 97.6 | Very high | 90.2 | Very high | 1 Ų | 1 | 27.7 Ų | 27.7 | 1% | 0.007 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -61.4 | -44.7 | 178 | -56 | 0 | 0 | 0 | 0 | 111.8 | L794 Y835 G859 D860 G865 C866 I867 | L794-S863 WeakPolarHBondContact O-CB 3.27Å; Y835-S863 WeakPolarHBondContact O-CB 3.45Å; Y835-S863 PolarHBondContact O-OG 2.89Å; G859-S863 PolarHBondContact O-N 2.61Å; G859-S863 PolarHBondContact O-OG 2.87Å; D860-S863 PolarHBondContact O-N 2.98Å; S863-G865 VanDerWaalsContact C-N 3.3Å; S863-G865 PolarHBondContact O-N 3.32Å; S863-C866 WeakPolarHBondContact O-CB 3.35Å; S863-C866 PolarHBondContact O-N 3.32Å; S863-I867 WeakPolarHBondContact O-CG1 3.35Å; S863-I867 PolarHBondContact O-N 3.04Å |
| 864 | L | 98.5 | Very high | 92.4 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -58.4 | -40.2 | 169 | -74.7 | -175 | 0 | 0 | 0 | 112.2 | W774 M777 L778 V781 L794 F799 D860 W862 C866 I867 L868 I926 | W774-L864 HydrophobicContact CH2-CB 4.01Å; W774-L864 HydrophobicContact CZ3-CB 3.86Å; W774-L864 WeakPolarHBondContact CZ3-O 3.42Å; M777-L864 HydrophobicContact CB-CD2 3.95Å; M777-L864 HydrophobicContact SD-CD2 4.31Å; L778-L864 HydrophobicContact CD2-CD1 3.96Å; V781-L864 HydrophobicContact CB-CD1 4.12Å; V781-L864 HydrophobicContact CG1-CD1 4.18Å; V781-L864 HydrophobicContact CG2-CD1 4.06Å; V781-L864 HydrophobicContact CG2-CD2 4.32Å; V781-L864 HydrophobicContact CG2-CG 4.49Å; L794-L864 HydrophobicContact CD1-CD2 4.25Å; L794-L864 HydrophobicContact CD1-CG 4.12Å; F799-L864 HydrophobicContact CE2-CD2 4.11Å; F799-L864 HydrophobicContact CZ-CD2 3.97Å; D860-L864 WeakPolarHBondContact O-CB 3.31Å; D860-L864 WeakPolarHBondContact O-CG 3.18Å; D860-L864 PolarHBondContact O-N 3.4Å; W862-L864 PolarHBondContact O-N 2.9Å; L864-C866 PolarHBondContact O-N 3.03Å; L864-I867 HydrophobicContact CD2-CD1 4.4Å; L864-I867 PolarHBondContact O-N 3.2Å; L864-L868 PolarHBondContact O-N 3.17Å; L864-I926 HydrophobicContact CD1-CD1 3.68Å |
| 865 | G | 98.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -57.4 | -44.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113 | V861 W862 S863 I867 L868 Y869 | V861-G865 PolarHBondContact O-N 2.84Å; W862-G865 CarbonylContact O-C 3.51Å; W862-G865 VanDerWaalsContact O-CA 3.3Å; W862-G865 WeakPolarHBondContact O-CA 3.4Å; W862-G865 PolarHBondContact O-N 3.44Å; S863-G865 VanDerWaalsContact C-N 3.3Å; S863-G865 PolarHBondContact O-N 3.32Å; G865-I867 VanDerWaalsContact C-N 3.34Å; G865-I867 PolarHBondContact O-N 3.2Å; G865-L868 PolarHBondContact O-N 3.49Å; G865-Y869 WeakPolarHBondContact O-CB 3.42Å; G865-Y869 PolarHBondContact O-N 2.92Å |
| 866 | C | 98.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -63.2 | -37.3 | 174.2 | -75 | 0 | 0 | 0 | 0 | 112.6 | N834 Y835 W862 S863 L864 C870 | N834-C866 PolarHBondContact O-SG 2.94Å; N834-C866 VanDerWaalsContact O-SG 3.35Å; Y835-C866 HydrophobicContact CD1-CB 3.61Å; Y835-C866 HydrophobicContact CE1-CB 4.2Å; Y835-C866 HydrophobicContact CG-CB 4.45Å; W862-C866 PolarHBondContact O-N 2.88Å; S863-C866 WeakPolarHBondContact O-CB 3.35Å; S863-C866 PolarHBondContact O-N 3.32Å; L864-C866 PolarHBondContact O-N 3.03Å; C866-C870 WeakPolarHBondContact O-CB 3.42Å; C866-C870 PolarHBondContact O-N 3.44Å |
| 867 | I | 97.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -64.7 | -51.1 | 174.4 | -62.6 | 171.7 | 0 | 0 | 0 | 110.3 | L755 M777 P796 F799 Y835 S863 L864 G865 Y869 C870 M871 | L755-I867 HydrophobicContact CD2-CG2 4.11Å; M777-I867 HydrophobicContact CE-CG2 4.04Å; M777-I867 HydrophobicContact SD-CG2 3.9Å; P796-I867 HydrophobicContact CG-CD1 4.46Å; P796-I867 HydrophobicContact CG-CG1 4.01Å; P796-I867 HydrophobicContact CG-CG2 4.28Å; F799-I867 HydrophobicContact CD2-CD1 4.31Å; F799-I867 HydrophobicContact CE2-CD1 3.97Å; Y835-I867 HydrophobicContact CD1-CG1 3.81Å; Y835-I867 HydrophobicContact CE1-CG1 3.74Å; S863-I867 WeakPolarHBondContact O-CG1 3.35Å; S863-I867 PolarHBondContact O-N 3.04Å; L864-I867 HydrophobicContact CD2-CD1 4.4Å; L864-I867 PolarHBondContact O-N 3.2Å; G865-I867 VanDerWaalsContact C-N 3.34Å; G865-I867 PolarHBondContact O-N 3.2Å; I867-Y869 VanDerWaalsContact C-N 3.29Å; I867-Y869 PolarHBondContact O-N 2.64Å; I867-C870 WeakPolarHBondContact O-CB 3.48Å; I867-C870 PolarHBondContact O-N 2.62Å; I867-C870 VanDerWaalsContact O-N 3.13Å; I867-M871 HydrophobicContact CG2-SD 4.26Å; I867-M871 WeakPolarHBondContact O-CG 3.4Å; I867-M871 PolarHBondContact O-N 3.11Å |
| 868 | L | 98.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 13.8 Ų | 13.8 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -63.1 | -35.8 | 179 | -174.2 | 66.8 | 0 | 0 | 0 | 112.4 | R770 W774 L864 G865 M871 T872 L908 V911 L912 | R770-L868 HydrophobicContact CG-CD1 3.85Å; W774-L868 HydrophobicContact CB-CD1 4.1Å; W774-L868 HydrophobicContact CD2-CD1 3.93Å; W774-L868 HydrophobicContact CD2-CD2 3.74Å; W774-L868 HydrophobicContact CD2-CG 4.28Å; W774-L868 HydrophobicContact CE3-CB 3.78Å; W774-L868 HydrophobicContact CE3-CD1 3.82Å; W774-L868 HydrophobicContact CE3-CD2 3.81Å; W774-L868 HydrophobicContact CE3-CG 4.01Å; W774-L868 HydrophobicContact CG-CD1 4.05Å; W774-L868 HydrophobicContact CG-CD2 4.37Å; W774-L868 HydrophobicContact CH2-CB 4.39Å; W774-L868 HydrophobicContact CH2-CD2 4.03Å; W774-L868 HydrophobicContact CZ2-CD2 3.95Å; W774-L868 HydrophobicContact CZ3-CB 3.7Å; W774-L868 HydrophobicContact CZ3-CD2 3.95Å; W774-L868 HydrophobicContact CZ3-CG 4.28Å; L864-L868 PolarHBondContact O-N 3.17Å; G865-L868 PolarHBondContact O-N 3.49Å; L868-M871 CarbonylContact O-C 3.48Å; L868-M871 WeakPolarHBondContact O-CB 3.36Å; L868-M871 PolarHBondContact O-N 2.99Å; L868-T872 WeakPolarHBondContact O-CB 3.46Å; L868-T872 PolarHBondContact O-N 3.4Å; L868-T872 PolarHBondContact O-OG1 2.92Å; L868-L908 HydrophobicContact CD1-CD1 4.03Å; L868-L908 HydrophobicContact CD2-CD1 3.64Å; L868-L908 HydrophobicContact CG-CD1 3.89Å; L868-V911 HydrophobicContact CD2-CB 4.41Å; L868-V911 HydrophobicContact CD2-CG1 3.51Å; L868-L912 HydrophobicContact CB-CD2 4.02Å; L868-L912 HydrophobicContact CD2-CD2 3.92Å; L868-L912 HydrophobicContact CD2-CG 4.28Å; L868-L912 HydrophobicContact CG-CD2 3.82Å |
| 869 | Y | 97.9 | Very high | 96.3 | Very high | 1 Ų | 1 | 15.7 Ų | 15.7 | 0% | 0.004 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -62.4 | -44.3 | 174.2 | -174.2 | -81.3 | 0 | 0 | 0 | 110.5 | G865 I867 M871 T872 Y873 K875 P877 I898 E899 F900 L912 L916 | G865-Y869 WeakPolarHBondContact O-CB 3.42Å; G865-Y869 PolarHBondContact O-N 2.92Å; I867-Y869 VanDerWaalsContact C-N 3.29Å; I867-Y869 PolarHBondContact O-N 2.64Å; Y869-M871 PolarHBondContact O-N 2.95Å; Y869-T872 PolarHBondContact O-N 3.24Å; Y869-Y873 AromaticContact CD1-CD2 3.95Å; Y869-Y873 HydrophobicContact CD1-CD2 3.95Å; Y869-Y873 AromaticContact CD2-CD2 3.62Å; Y869-Y873 HydrophobicContact CD2-CD2 3.62Å; Y869-Y873 AromaticContact CD2-CE2 3.69Å; Y869-Y873 HydrophobicContact CD2-CE2 3.69Å; Y869-Y873 AromaticContact CE1-CD2 3.81Å; Y869-Y873 HydrophobicContact CE1-CD2 3.81Å; Y869-Y873 HydrophobicContact CE1-CG 4.46Å; Y869-Y873 AromaticContact CE2-CD2 3.47Å; Y869-Y873 HydrophobicContact CE2-CD2 3.47Å; Y869-Y873 VanDerWaalsContact CE2-CD2 3.47Å; Y869-Y873 AromaticContact CE2-CE2 3.5Å; Y869-Y873 HydrophobicContact CE2-CE2 3.5Å; Y869-Y873 VanDerWaalsContact CE2-CE2 3.5Å; Y869-Y873 AromaticContact CG-CD2 3.84Å; Y869-Y873 HydrophobicContact CG-CD2 3.84Å; Y869-Y873 HydrophobicContact CG-CE2 4.35Å; Y869-Y873 AromaticContact CZ-CD2 3.56Å; Y869-Y873 PolarHBondContact O-N 2.93Å; Y869-K875 WeakPolarHBondContact CD1-O 3.44Å; Y869-K875 HydrophobicContact CE1-CG 4.43Å; Y869-K875 VanDerWaalsContact CE1-O 3.28Å; Y869-K875 WeakPolarHBondContact CE1-O 3.06Å; Y869-P877 HydrophobicContact CD1-CB 4.32Å; Y869-P877 HydrophobicContact CD1-CG 3.65Å; Y869-P877 HydrophobicContact CD2-CG 4.11Å; Y869-P877 HydrophobicContact CE1-CB 4.23Å; Y869-P877 HydrophobicContact CE1-CG 4.06Å; Y869-P877 HydrophobicContact CE2-CG 4.47Å; Y869-P877 HydrophobicContact CG-CG 3.69Å; Y869-I898 HydrophobicContact CE2-CG2 4.26Å; Y869-E899 WeakPolarHBondContact CE2-O 3.48Å; Y869-E899 PolarHBondContact OH-O 2.92Å; Y869-E899 VanDerWaalsContact OH-O 3.07Å; Y869-F900 HydrophobicContact CD2-CD1 4.49Å; Y869-F900 HydrophobicContact CD2-CE1 4.29Å; Y869-F900 HydrophobicContact CE2-CD1 4.21Å; Y869-F900 HydrophobicContact CE2-CE1 4.27Å; Y869-L912 HydrophobicContact CD2-CD2 4.38Å; Y869-L916 HydrophobicContact CD2-CD1 3.89Å; Y869-L916 HydrophobicContact CG-CD1 4.34Å |
| 870 | C | 95.8 | Very high | 96.1 | Very high | 17 Ų | 17 | 19.7 Ų | 19.7 | 12% | 0.115 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -60.1 | -43.8 | 171.8 | -165.6 | 0 | 0 | 0 | 0 | 112 | C866 I867 T872 G874 K875 T876 | C866-C870 WeakPolarHBondContact O-CB 3.42Å; C866-C870 PolarHBondContact O-N 3.44Å; I867-C870 WeakPolarHBondContact O-CB 3.48Å; I867-C870 PolarHBondContact O-N 2.62Å; I867-C870 VanDerWaalsContact O-N 3.13Å; C870-T872 PolarHBondContact O-N 2.92Å; C870-T872 VanDerWaalsContact O-N 3.11Å; C870-G874 WeakPolarHBondContact O-CA 3.42Å; C870-G874 PolarHBondContact O-N 3.49Å; C870-K875 WeakPolarHBondContact CA-O 3.47Å; C870-T876 HydrophobicContact CB-CG2 4.03Å |
| 871 | M | 96.4 | Very high | 95.9 | Very high | 4 Ų | 4 | 21.3 Ų | 21.3 | 2% | 0.02 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -64.7 | -11.8 | 174.1 | -62.9 | 178.4 | 85.6 | 0 | 0 | 114.5 | W758 L759 I765 R770 Y773 M777 I867 L868 Y869 | W758-M871 HydrophobicContact CZ3-CE 4.4Å; L759-M871 HydrophobicContact CD2-CG 3.93Å; I765-M871 HydrophobicContact CD1-CB 4.09Å; I765-M871 HydrophobicContact CD1-CG 4.39Å; R770-M871 HydrophobicContact CB-CE 4.27Å; R770-M871 WeakPolarHBondContact CD-O 2.98Å; R770-M871 HydrophobicContact CG-CB 4Å; R770-M871 HydrophobicContact CG-CE 4.09Å; R770-M871 HydrophobicContact CG-SD 4.4Å; R770-M871 PolarHBondContact NH1-O 3.48Å; Y773-M871 HydrophobicContact CD2-CE 3.94Å; Y773-M871 HydrophobicContact CG-CE 4.45Å; M777-M871 HydrophobicContact CE-SD 3.85Å; I867-M871 HydrophobicContact CG2-SD 4.26Å; I867-M871 WeakPolarHBondContact O-CG 3.4Å; I867-M871 PolarHBondContact O-N 3.11Å; L868-M871 CarbonylContact O-C 3.48Å; L868-M871 WeakPolarHBondContact O-CB 3.36Å; L868-M871 PolarHBondContact O-N 2.99Å; Y869-M871 PolarHBondContact O-N 2.95Å |
| 872 | T | 96.1 | Very high | 95.3 | Very high | 28 Ų | 28 | 27.3 Ų | 27.3 | 17% | 0.172 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -106.9 | -36.6 | -177.7 | -54.1 | 0 | 0 | 0 | 0 | 112.2 | L868 Y869 C870 I903 L908 L912 | L868-T872 WeakPolarHBondContact O-CB 3.46Å; L868-T872 PolarHBondContact O-N 3.4Å; L868-T872 PolarHBondContact O-OG1 2.92Å; Y869-T872 PolarHBondContact O-N 3.24Å; C870-T872 PolarHBondContact O-N 2.92Å; C870-T872 VanDerWaalsContact O-N 3.11Å; T872-I903 HydrophobicContact CG2-CD1 3.96Å; T872-I903 HydrophobicContact CG2-CG2 4.36Å; T872-L908 HydrophobicContact CG2-CD2 3.94Å; T872-L912 HydrophobicContact CG2-CD1 3.92Å |
| 873 | Y | 94.8 | Very high | 94.7 | Very high | 46 Ų | 46 | 31.6 Ų | 31.6 | 18% | 0.18 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -122.8 | 0.7 | -171.5 | -58.9 | -63.8 | 0 | 0 | 0 | 114.7 | Y869 K875 P901 I903 L912 | Y869-Y873 AromaticContact CD1-CD2 3.95Å; Y869-Y873 HydrophobicContact CD1-CD2 3.95Å; Y869-Y873 AromaticContact CD2-CD2 3.62Å; Y869-Y873 HydrophobicContact CD2-CD2 3.62Å; Y869-Y873 AromaticContact CD2-CE2 3.69Å; Y869-Y873 HydrophobicContact CD2-CE2 3.69Å; Y869-Y873 AromaticContact CE1-CD2 3.81Å; Y869-Y873 HydrophobicContact CE1-CD2 3.81Å; Y869-Y873 HydrophobicContact CE1-CG 4.46Å; Y869-Y873 AromaticContact CE2-CD2 3.47Å; Y869-Y873 HydrophobicContact CE2-CD2 3.47Å; Y869-Y873 VanDerWaalsContact CE2-CD2 3.47Å; Y869-Y873 AromaticContact CE2-CE2 3.5Å; Y869-Y873 HydrophobicContact CE2-CE2 3.5Å; Y869-Y873 VanDerWaalsContact CE2-CE2 3.5Å; Y869-Y873 AromaticContact CG-CD2 3.84Å; Y869-Y873 HydrophobicContact CG-CD2 3.84Å; Y869-Y873 HydrophobicContact CG-CE2 4.35Å; Y869-Y873 AromaticContact CZ-CD2 3.56Å; Y869-Y873 PolarHBondContact O-N 2.93Å; Y873-K875 PolarHBondContact O-N 3.17Å; Y873-K875 VanDerWaalsContact O-N 3.08Å; Y873-P901 HydrophobicContact CD1-CB 4.32Å; Y873-P901 HydrophobicContact CD1-CG 4.22Å; Y873-P901 HydrophobicContact CE1-CB 3.78Å; Y873-P901 HydrophobicContact CE1-CG 3.97Å; Y873-P901 WeakPolarHBondContact CE1-O 3.33Å; Y873-P901 PolarHBondContact OH-O 3.48Å; Y873-I903 HydrophobicContact CE1-CG2 3.78Å; Y873-L912 HydrophobicContact CE2-CD1 3.96Å |
| 874 | G | 93.3 | Very high | 94 | Very high | 63 Ų | 63 | 33.2 Ų | 33.2 | 65% | 0.649 | 20% | 0.197 | S | C | * | . | S | Bend | trans | 71.9 | -5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | C870 | C870-G874 WeakPolarHBondContact O-CA 3.42Å; C870-G874 PolarHBondContact O-N 3.49Å |
| 875 | K | 92.6 | Very high | 93.4 | Very high | 62 Ų | 62 | 38.7 Ų | 38.7 | 27% | 0.27 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -131.4 | 149.9 | 174.4 | 62.2 | 173.1 | -176.4 | 169.3 | 0 | 109.7 | Y869 C870 Y873 Q879 E899 | Y869-K875 WeakPolarHBondContact CD1-O 3.44Å; Y869-K875 HydrophobicContact CE1-CG 4.43Å; Y869-K875 VanDerWaalsContact CE1-O 3.28Å; Y869-K875 WeakPolarHBondContact CE1-O 3.06Å; C870-K875 WeakPolarHBondContact CA-O 3.47Å; Y873-K875 PolarHBondContact O-N 3.17Å; Y873-K875 VanDerWaalsContact O-N 3.08Å; K875-Q879 HydrophobicContact CB-CB 4.15Å; K875-E899 IonicContact NZ-OE2 3.63Å; K875-E899 PolarHBondContact NZ-OE2 3.4Å |
| 876 | T | 95.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 24% | 0.238 | C | C | . | . | trans | -72.3 | 160.7 | 165.6 | 52.6 | 0 | 0 | 0 | 0 | 111.1 | N834 Y835 C870 F878 Q879 | N834-T876 HydrophobicContact CB-CG2 4.21Å; Y835-T876 HydrophobicContact CE1-CG2 3.74Å; C870-T876 HydrophobicContact CB-CG2 4.03Å; T876-F878 VanDerWaalsContact C-N 3.29Å; T876-F878 PolarHBondContact O-N 3.26Å; T876-Q879 WeakPolarHBondContact O-CB 3.46Å; T876-Q879 PolarHBondContact O-N 3.2Å; T876-Q879 WeakPolarHBondContact OG1-CB 3.4Å; T876-Q879 PolarHBondContact OG1-OE1 2.68Å | ||
| 877 | P | 96.6 | Very high | 92.6 | Very high | 11 Ų | 11 | 40.8 Ų | 40.8 | 7% | 0.071 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -35.7 | -170.2 | -27.1 | 34.8 | 0 | 0 | 0 | 115.3 | Y869 I898 L916 | Y869-P877 HydrophobicContact CD1-CB 4.32Å; Y869-P877 HydrophobicContact CD1-CG 3.65Å; Y869-P877 HydrophobicContact CD2-CG 4.11Å; Y869-P877 HydrophobicContact CE1-CB 4.23Å; Y869-P877 HydrophobicContact CE1-CG 4.06Å; Y869-P877 HydrophobicContact CE2-CG 4.47Å; Y869-P877 HydrophobicContact CG-CG 3.69Å; P877-I898 HydrophobicContact CB-CG2 4.08Å; P877-L916 HydrophobicContact CB-CD1 4.4Å; P877-L916 HydrophobicContact CG-CD1 3.66Å; P877-L916 HydrophobicContact CG-CD2 4.42Å |
| 878 | F | 95.4 | Very high | 92.2 | Very high | 2 Ų | 2 | 42.9 Ų | 42.9 | 1% | 0.009 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110.8 | 17.8 | -176.6 | -54.7 | -86.6 | 0 | 0 | 0 | 113.1 | W862 T876 S880 I881 K887 A890 I891 H896 I898 | W862-F878 HydrophobicContact CH2-CE2 4.25Å; W862-F878 HydrophobicContact CH2-CZ 4.34Å; W862-F878 AromaticContact CZ2-CE2 3.77Å; W862-F878 HydrophobicContact CZ2-CE2 3.77Å; W862-F878 HydrophobicContact CZ2-CZ 4.26Å; T876-F878 VanDerWaalsContact C-N 3.29Å; T876-F878 PolarHBondContact O-N 3.26Å; F878-S880 VanDerWaalsContact C-N 3.27Å; F878-S880 PolarHBondContact O-N 3.35Å; F878-I881 HydrophobicContact CB-CD1 4.47Å; F878-I881 HydrophobicContact CD1-CD1 4.29Å; F878-I881 PolarHBondContact O-N 3.1Å; F878-I881 VanDerWaalsContact O-N 3.16Å; F878-K887 HydrophobicContact CB-CG 3.95Å; F878-A890 HydrophobicContact CD1-CB 4Å; F878-A890 HydrophobicContact CE1-CB 4.21Å; F878-A890 WeakPolarHBondContact CE1-O 3.43Å; F878-I891 HydrophobicContact CD1-CG1 4.16Å; F878-I891 HydrophobicContact CD2-CD1 4.38Å; F878-I891 HydrophobicContact CD2-CG1 3.63Å; F878-I891 HydrophobicContact CE1-CG1 4.22Å; F878-I891 HydrophobicContact CE2-CG1 3.73Å; F878-I891 HydrophobicContact CG-CG1 3.87Å; F878-I891 HydrophobicContact CZ-CG1 4.02Å; F878-H896 AromaticContact CD1-NE2 3.91Å; F878-H896 AromaticContact CE1-CD2 3.69Å; F878-H896 AromaticContact CE1-NE2 3.87Å; F878-I898 HydrophobicContact CE1-CG1 4.28Å; F878-I898 HydrophobicContact CE2-CD1 4.19Å; F878-I898 HydrophobicContact CE2-CG1 4.46Å; F878-I898 HydrophobicContact CZ-CD1 3.8Å; F878-I898 HydrophobicContact CZ-CG1 3.77Å |
| 879 | Q | 91.5 | Very high | 91.8 | Very high | 86 Ų | 86 | 48.4 Ų | 48.4 | 40% | 0.402 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -29.6 | -171 | -161.6 | 161.5 | -55.4 | 0 | 0 | 114.3 | K875 T876 I881 | K875-Q879 HydrophobicContact CB-CB 4.15Å; T876-Q879 WeakPolarHBondContact O-CB 3.46Å; T876-Q879 PolarHBondContact O-N 3.2Å; T876-Q879 WeakPolarHBondContact OG1-CB 3.4Å; T876-Q879 PolarHBondContact OG1-OE1 2.68Å; Q879-I881 PolarHBondContact O-N 3.29Å |
| 880 | S | 91 | Very high | 91.6 | Very high | 91 Ų | 91 | 48.8 Ų | 48.8 | 64% | 0.636 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.9 | -13 | 179.1 | 43.6 | 0 | 0 | 0 | 0 | 113.8 | F878 T882 | F878-S880 VanDerWaalsContact C-N 3.27Å; F878-S880 PolarHBondContact O-N 3.35Å; S880-T882 PolarHBondContact O-N 3.21Å |
| 881 | I | 90.6 | Very high | 91.5 | Very high | 33 Ų | 33 | 48 Ų | 48 | 17% | 0.169 | 28% | 0.275 | C | S | . | . | trans | -90.6 | 99.7 | 178.2 | -49.3 | 176.6 | 0 | 0 | 0 | 108.1 | F878 Q879 A886 K887 A890 | F878-I881 HydrophobicContact CB-CD1 4.47Å; F878-I881 HydrophobicContact CD1-CD1 4.29Å; F878-I881 PolarHBondContact O-N 3.1Å; F878-I881 VanDerWaalsContact O-N 3.16Å; Q879-I881 PolarHBondContact O-N 3.29Å; I881-A886 HydrophobicContact CG2-CB 3.88Å; I881-K887 HydrophobicContact CB-CB 4.13Å; I881-K887 HydrophobicContact CB-CG 4.5Å; I881-K887 HydrophobicContact CG2-CB 3.96Å; I881-K887 WeakPolarHBondContact O-CE 3.43Å; I881-K887 PolarHBondContact O-NZ 3.04Å; I881-A890 HydrophobicContact CD1-CB 3.41Å; I881-A890 VanDerWaalsContact CD1-CB 3.41Å | ||
| 882 | T | 86.2 | Confident | 91.3 | Very high | 127 Ų | 127 | 50 Ų | 50 | 78% | 0.779 | 29% | 0.286 | S | S | * | . | trans | -69.8 | -43.7 | -178.7 | 51.9 | 0 | 0 | 0 | 0 | 112.2 | S880 Q884 | S880-T882 PolarHBondContact O-N 3.21Å; T882-Q884 PolarHBondContact O-N 3.34Å | ||
| 883 | N | 85.3 | Confident | 91.2 | Very high | 92 Ų | 92 | 51.1 Ų | 51.1 | 49% | 0.492 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -66.6 | 117 | 176.7 | -177.4 | -58.7 | 0 | 0 | 0 | 110.9 | I885 A886 K887 | N883-I885 VanDerWaalsContact C-N 3.34Å; N883-I885 PolarHBondContact O-N 2.71Å; N883-I885 WeakPolarHBondContact OD1-CB 3.32Å; N883-I885 PolarHBondContact OD1-N 2.91Å; N883-A886 HydrophobicContact CB-CB 4.06Å; N883-A886 PolarHBondContact O-N 2.72Å; N883-A886 PolarHBondContact OD1-N 3Å; N883-K887 WeakPolarHBondContact O-CB 2.99Å; N883-K887 PolarHBondContact O-N 3.12Å |
| 884 | Q | 84.3 | Confident | 91.1 | Very high | 34 Ų | 34 | 54 Ų | 54 | 16% | 0.159 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -67.8 | -30.4 | -173.4 | -55.5 | -71 | 13.2 | 0 | 0 | 113 | V830 L833 T882 K887 L888 | V830-Q884 PolarHBondContact O-NE2 3.03Å; L833-Q884 HydrophobicContact CD1-CB 4.01Å; L833-Q884 HydrophobicContact CD1-CG 4.32Å; T882-Q884 PolarHBondContact O-N 3.34Å; Q884-K887 PolarHBondContact O-N 3.06Å; Q884-L888 VanDerWaalsContact O-CG 3.28Å; Q884-L888 WeakPolarHBondContact O-CG 3.48Å; Q884-L888 PolarHBondContact O-N 3.09Å |
| 885 | I | 84.9 | Confident | 91.1 | Very high | 115 Ų | 115 | 55.4 Ų | 55.4 | 59% | 0.59 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -70 | -47.5 | 176.6 | -60.3 | 172.8 | 0 | 0 | 0 | 109.7 | N883 K887 L888 Q889 | N883-I885 VanDerWaalsContact C-N 3.34Å; N883-I885 PolarHBondContact O-N 2.71Å; N883-I885 WeakPolarHBondContact OD1-CB 3.32Å; N883-I885 PolarHBondContact OD1-N 2.91Å; I885-K887 PolarHBondContact O-N 3.1Å; I885-L888 PolarHBondContact O-N 3.31Å; I885-Q889 WeakPolarHBondContact O-CG 3.37Å; I885-Q889 PolarHBondContact O-N 3.32Å |
| 886 | A | 88.4 | Confident | 91.2 | Very high | 35 Ų | 35 | 55.7 Ų | 55.7 | 29% | 0.289 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -61 | -34.2 | 175 | 0 | 0 | 0 | 0 | 0 | 112 | I881 N883 Q889 A890 | I881-A886 HydrophobicContact CG2-CB 3.88Å; N883-A886 HydrophobicContact CB-CB 4.06Å; N883-A886 PolarHBondContact O-N 2.72Å; N883-A886 PolarHBondContact OD1-N 3Å; A886-Q889 PolarHBondContact O-N 3.37Å; A886-A890 WeakPolarHBondContact O-CB 3.35Å; A886-A890 PolarHBondContact O-N 3.15Å |
| 887 | K | 91.1 | Very high | 91.2 | Very high | 10 Ų | 10 | 64.5 Ų | 64.5 | 4% | 0.043 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -65.4 | -47.8 | 174 | -174.5 | -173.4 | -62.9 | 170.8 | 0 | 111.9 | N834 F878 I881 N883 Q884 I885 Q889 A890 I891 | N834-K887 WeakPolarHBondContact OD1-CD 3.47Å; N834-K887 WeakPolarHBondContact OD1-CE 3.19Å; N834-K887 PolarHBondContact OD1-NZ 3.16Å; F878-K887 HydrophobicContact CB-CG 3.95Å; I881-K887 HydrophobicContact CB-CB 4.13Å; I881-K887 HydrophobicContact CB-CG 4.5Å; I881-K887 HydrophobicContact CG2-CB 3.96Å; I881-K887 WeakPolarHBondContact O-CE 3.43Å; I881-K887 PolarHBondContact O-NZ 3.04Å; N883-K887 WeakPolarHBondContact O-CB 2.99Å; N883-K887 PolarHBondContact O-N 3.12Å; Q884-K887 PolarHBondContact O-N 3.06Å; I885-K887 PolarHBondContact O-N 3.1Å; K887-Q889 VanDerWaalsContact C-N 3.28Å; K887-Q889 PolarHBondContact O-N 3.41Å; K887-A890 PolarHBondContact O-N 3.43Å; K887-I891 HydrophobicContact CG-CD1 4.15Å; K887-I891 VanDerWaalsContact O-CG1 3.32Å; K887-I891 WeakPolarHBondContact O-CG1 3.26Å; K887-I891 PolarHBondContact O-N 2.93Å |
| 888 | L | 89.5 | Confident | 91.2 | Very high | 43 Ų | 43 | 65 Ų | 65 | 23% | 0.225 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -60.3 | -40 | 176.2 | -69.3 | 168.6 | 0 | 0 | 0 | 111.3 | M836 I841 Q884 I885 I891 I892 | M836-L888 HydrophobicContact SD-CD2 3.95Å; I841-L888 HydrophobicContact CD1-CB 4.33Å; I841-L888 HydrophobicContact CD1-CD2 3.51Å; I841-L888 HydrophobicContact CG1-CD2 3.95Å; Q884-L888 VanDerWaalsContact O-CG 3.28Å; Q884-L888 WeakPolarHBondContact O-CG 3.48Å; Q884-L888 PolarHBondContact O-N 3.09Å; I885-L888 PolarHBondContact O-N 3.31Å; L888-I891 PolarHBondContact O-N 3.09Å; L888-I892 WeakPolarHBondContact O-CG1 3.26Å; L888-I892 PolarHBondContact O-N 3.03Å |
| 889 | Q | 90.5 | Very high | 91.3 | Very high | 117 Ų | 117 | 70.1 Ų | 70.1 | 55% | 0.547 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -61.1 | -49.8 | 172.5 | -71.7 | 171.5 | -18.7 | 0 | 0 | 112 | I885 A886 K887 I891 I892 D893 | I885-Q889 WeakPolarHBondContact O-CG 3.37Å; I885-Q889 PolarHBondContact O-N 3.32Å; A886-Q889 PolarHBondContact O-N 3.37Å; K887-Q889 VanDerWaalsContact C-N 3.28Å; K887-Q889 PolarHBondContact O-N 3.41Å; Q889-I891 VanDerWaalsContact C-N 3.29Å; Q889-I891 PolarHBondContact O-N 3.02Å; Q889-I892 WeakPolarHBondContact O-CG1 3.38Å; Q889-I892 PolarHBondContact O-N 2.99Å; Q889-I892 VanDerWaalsContact O-N 3.15Å; Q889-D893 VanDerWaalsContact O-CB 3.27Å; Q889-D893 WeakPolarHBondContact O-CB 3.33Å; Q889-D893 PolarHBondContact O-N 3.24Å |
| 890 | A | 93.5 | Very high | 91.5 | Very high | 8 Ų | 8 | 68.6 Ų | 68.6 | 7% | 0.066 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -62.8 | -31.5 | 178 | 0 | 0 | 0 | 0 | 0 | 113.5 | F878 I881 A886 K887 R918 | F878-A890 HydrophobicContact CD1-CB 4Å; F878-A890 HydrophobicContact CE1-CB 4.21Å; F878-A890 WeakPolarHBondContact CE1-O 3.43Å; I881-A890 HydrophobicContact CD1-CB 3.41Å; I881-A890 VanDerWaalsContact CD1-CB 3.41Å; A886-A890 WeakPolarHBondContact O-CB 3.35Å; A886-A890 PolarHBondContact O-N 3.15Å; K887-A890 PolarHBondContact O-N 3.43Å; A890-R918 PolarHBondContact O-NH2 2.98Å |
| 891 | I | 94.1 | Very high | 91.7 | Very high | 1 Ų | 1 | 67.3 Ų | 67.3 | 1% | 0.005 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -64.5 | -45.4 | 173.1 | -71.5 | 163.2 | 0 | 0 | 0 | 110.6 | P838 I841 W862 F878 K887 L888 Q889 R918 | P838-I891 HydrophobicContact CB-CG2 3.92Å; I841-I891 HydrophobicContact CD1-CB 3.97Å; I841-I891 HydrophobicContact CD1-CD1 4.39Å; I841-I891 HydrophobicContact CD1-CG2 3.62Å; W862-I891 HydrophobicContact CZ2-CG2 4.01Å; F878-I891 HydrophobicContact CD1-CG1 4.16Å; F878-I891 HydrophobicContact CD2-CD1 4.38Å; F878-I891 HydrophobicContact CD2-CG1 3.63Å; F878-I891 HydrophobicContact CE1-CG1 4.22Å; F878-I891 HydrophobicContact CE2-CG1 3.73Å; F878-I891 HydrophobicContact CG-CG1 3.87Å; F878-I891 HydrophobicContact CZ-CG1 4.02Å; K887-I891 HydrophobicContact CG-CD1 4.15Å; K887-I891 VanDerWaalsContact O-CG1 3.32Å; K887-I891 WeakPolarHBondContact O-CG1 3.26Å; K887-I891 PolarHBondContact O-N 2.93Å; L888-I891 PolarHBondContact O-N 3.09Å; Q889-I891 VanDerWaalsContact C-N 3.29Å; Q889-I891 PolarHBondContact O-N 3.02Å; I891-R918 WeakPolarHBondContact O-CD 3.25Å; I891-R918 PolarHBondContact O-NE 2.94Å |
| 892 | I | 93.1 | Very high | 91.8 | Very high | 47 Ų | 47 | 69.4 Ų | 69.4 | 24% | 0.241 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -82.1 | -26.7 | -175.6 | 62.9 | 173.3 | 0 | 0 | 0 | 115.2 | P838 I841 K842 L888 Q889 | P838-I892 HydrophobicContact CB-CG2 4.25Å; I841-I892 HydrophobicContact CB-CG2 3.57Å; I841-I892 HydrophobicContact CD1-CG2 3.85Å; I841-I892 HydrophobicContact CG1-CG2 4.29Å; I841-I892 HydrophobicContact CG2-CD1 4.45Å; I841-I892 HydrophobicContact CG2-CG2 3.6Å; K842-I892 VanDerWaalsContact CE-CB 3.46Å; K842-I892 WeakPolarHBondContact CE-O 3.38Å; K842-I892 HydrophobicContact CG-CB 4.42Å; K842-I892 HydrophobicContact CG-CG2 4.04Å; K842-I892 PolarHBondContact NZ-O 3.27Å; L888-I892 WeakPolarHBondContact O-CG1 3.26Å; L888-I892 PolarHBondContact O-N 3.03Å; Q889-I892 WeakPolarHBondContact O-CG1 3.38Å; Q889-I892 PolarHBondContact O-N 2.99Å; Q889-I892 VanDerWaalsContact O-N 3.15Å |
| 893 | D | 93.1 | Very high | 92.2 | Very high | 51 Ų | 51 | 64.9 Ų | 64.9 | 27% | 0.273 | 36% | 0.363 | S | S | . | . | trans | -73.5 | 121.9 | -175.2 | 170.3 | 36.1 | 0 | 0 | 0 | 112.3 | Q889 S895 H896 R918 | Q889-D893 VanDerWaalsContact O-CB 3.27Å; Q889-D893 WeakPolarHBondContact O-CB 3.33Å; Q889-D893 PolarHBondContact O-N 3.24Å; D893-S895 VanDerWaalsContact C-N 3.29Å; D893-S895 VanDerWaalsContact CG-N 3.32Å; D893-S895 PolarHBondContact O-N 2.84Å; D893-S895 WeakPolarHBondContact OD1-CB 3.49Å; D893-S895 PolarHBondContact OD1-N 3.36Å; D893-S895 PolarHBondContact OD1-OG 2.95Å; D893-S895 WeakPolarHBondContact OD2-CB 3.37Å; D893-S895 PolarHBondContact OD2-N 3.44Å; D893-S895 PolarHBondContact OD2-OG 2.88Å; D893-H896 HydrophobicContact CB-CB 4.42Å; D893-H896 WeakPolarHBondContact OD2-CB 3.38Å; D893-H896 PolarHBondContact OD2-N 3.3Å; D893-R918 PolarHBondContact O-NE 2.95Å; D893-R918 VanDerWaalsContact O-NE 3.07Å; D893-R918 PolarHBondContact O-NH1 2.96Å; D893-R918 PolarHBondContact O-NH2 3.5Å; D893-R918 VanDerWaalsContact O-NH2 3.11Å | ||
| 894 | P | 92.3 | Very high | 92.5 | Very high | 107 Ų | 107 | 65 Ų | 65 | 70% | 0.695 | 38% | 0.376 | S | S | * | . | S | Bend | trans | -68.7 | -21.2 | 173.7 | 30.3 | -36.1 | 0 | 0 | 0 | 114.2 | ||
| 895 | S | 94.2 | Very high | 93 | Very high | 91 Ų | 91 | 66 Ų | 66 | 64% | 0.636 | 38% | 0.381 | S | S | * | . | S | Bend | trans | -71.8 | -38.6 | -178 | 96.3 | 0 | 0 | 0 | 0 | 112.3 | D893 K897 | D893-S895 VanDerWaalsContact C-N 3.29Å; D893-S895 VanDerWaalsContact CG-N 3.32Å; D893-S895 PolarHBondContact O-N 2.84Å; D893-S895 WeakPolarHBondContact OD1-CB 3.49Å; D893-S895 PolarHBondContact OD1-N 3.36Å; D893-S895 PolarHBondContact OD1-OG 2.95Å; D893-S895 WeakPolarHBondContact OD2-CB 3.37Å; D893-S895 PolarHBondContact OD2-N 3.44Å; D893-S895 PolarHBondContact OD2-OG 2.88Å; S895-K897 PolarHBondContact O-N 3.46Å; S895-K897 VanDerWaalsContact O-N 3.1Å |
| 896 | H | 95.1 | Very high | 93.5 | Very high | 69 Ų | 69 | 66.8 Ų | 66.8 | 32% | 0.319 | 38% | 0.38 | S | S | . | . | S | Bend | trans | -64.2 | 105.8 | 175.5 | -172.9 | 97.9 | 0 | 0 | 0 | 110.8 | F878 D893 R918 | F878-H896 AromaticContact CD1-NE2 3.91Å; F878-H896 AromaticContact CE1-CD2 3.69Å; F878-H896 AromaticContact CE1-NE2 3.87Å; D893-H896 HydrophobicContact CB-CB 4.42Å; D893-H896 WeakPolarHBondContact OD2-CB 3.38Å; D893-H896 PolarHBondContact OD2-N 3.3Å; H896-R918 VanDerWaalsContact O-CZ 3.22Å; H896-R918 PolarHBondContact O-NH1 3.48Å; H896-R918 PolarHBondContact O-NH2 3.47Å |
| 897 | K | 95.1 | Very high | 93.9 | Very high | 184 Ų | 184 | 67.3 Ų | 67.3 | 80% | 0.8 | 38% | 0.378 | S | S | * | . | P | Polyproline II helix | trans | -82.3 | 125.2 | -179.5 | -66.4 | 176.6 | -175.6 | 173.4 | 0 | 110.6 | S895 E899 | S895-K897 PolarHBondContact O-N 3.46Å; S895-K897 VanDerWaalsContact O-N 3.1Å; K897-E899 PolarHBondContact O-N 3.47Å |
| 898 | I | 97.1 | Very high | 94.2 | Very high | 21 Ų | 21 | 66.8 Ų | 66.8 | 11% | 0.108 | 38% | 0.376 | C | S | . | . | P | Polyproline II helix | trans | -67.2 | 129.6 | 170 | -61.3 | 172.8 | 0 | 0 | 0 | 108.4 | W862 Y869 P877 F878 F900 L916 | W862-I898 HydrophobicContact CH2-CD1 4.14Å; Y869-I898 HydrophobicContact CE2-CG2 4.26Å; P877-I898 HydrophobicContact CB-CG2 4.08Å; F878-I898 HydrophobicContact CE1-CG1 4.28Å; F878-I898 HydrophobicContact CE2-CD1 4.19Å; F878-I898 HydrophobicContact CE2-CG1 4.46Å; F878-I898 HydrophobicContact CZ-CD1 3.8Å; F878-I898 HydrophobicContact CZ-CG1 3.77Å; I898-F900 HydrophobicContact CB-CE2 3.79Å; I898-F900 HydrophobicContact CB-CZ 4.12Å; I898-F900 HydrophobicContact CG2-CD2 4.32Å; I898-F900 HydrophobicContact CG2-CE1 4.26Å; I898-F900 HydrophobicContact CG2-CE2 3.7Å; I898-F900 HydrophobicContact CG2-CZ 3.66Å; I898-F900 VanDerWaalsContact O-CD2 3.26Å; I898-F900 WeakPolarHBondContact O-CD2 3.2Å; I898-F900 WeakPolarHBondContact O-CE2 3.37Å; I898-L916 HydrophobicContact CD1-CB 3.98Å; I898-L916 HydrophobicContact CD1-CD1 4.48Å; I898-L916 HydrophobicContact CG2-CD1 4.41Å |
| 899 | E | 96.4 | Very high | 94.6 | Very high | 110 Ų | 110 | 65.9 Ų | 65.9 | 51% | 0.514 | 37% | 0.371 | S | S | . | . | P | Polyproline II helix | trans | -67 | 140 | 173.9 | -59.4 | -177 | 139.5 | 0 | 0 | 110.6 | Y869 K875 K897 | Y869-E899 WeakPolarHBondContact CE2-O 3.48Å; Y869-E899 PolarHBondContact OH-O 2.92Å; Y869-E899 VanDerWaalsContact OH-O 3.07Å; K875-E899 IonicContact NZ-OE2 3.63Å; K875-E899 PolarHBondContact NZ-OE2 3.4Å; K897-E899 PolarHBondContact O-N 3.47Å |
| 900 | F | 96.8 | Very high | 94.9 | Very high | 55 Ų | 55 | 62.7 Ų | 62.7 | 24% | 0.241 | 36% | 0.357 | C | S | . | . | trans | -134.6 | 79.9 | 168.7 | -65.9 | -85.1 | 0 | 0 | 0 | 109.8 | Y869 I898 L909 L912 K913 L916 | Y869-F900 HydrophobicContact CD2-CD1 4.49Å; Y869-F900 HydrophobicContact CD2-CE1 4.29Å; Y869-F900 HydrophobicContact CE2-CD1 4.21Å; Y869-F900 HydrophobicContact CE2-CE1 4.27Å; I898-F900 HydrophobicContact CB-CE2 3.79Å; I898-F900 HydrophobicContact CB-CZ 4.12Å; I898-F900 HydrophobicContact CG2-CD2 4.32Å; I898-F900 HydrophobicContact CG2-CE1 4.26Å; I898-F900 HydrophobicContact CG2-CE2 3.7Å; I898-F900 HydrophobicContact CG2-CZ 3.66Å; I898-F900 VanDerWaalsContact O-CD2 3.26Å; I898-F900 WeakPolarHBondContact O-CD2 3.2Å; I898-F900 WeakPolarHBondContact O-CE2 3.37Å; F900-L909 HydrophobicContact CB-CD1 3.89Å; F900-L912 HydrophobicContact CD1-CB 4.22Å; F900-L912 HydrophobicContact CE1-CB 3.99Å; F900-K913 HydrophobicContact CD1-CG 3.9Å; F900-K913 HydrophobicContact CD2-CG 4Å; F900-K913 HydrophobicContact CE1-CG 3.89Å; F900-K913 HydrophobicContact CE2-CG 3.99Å; F900-K913 HydrophobicContact CG-CG 3.96Å; F900-K913 HydrophobicContact CZ-CG 3.93Å; F900-L916 HydrophobicContact CE1-CD1 4.1Å; F900-L916 HydrophobicContact CZ-CB 4.21Å; F900-L916 HydrophobicContact CZ-CD1 4.18Å | ||
| 901 | P | 95.2 | Very high | 95.2 | Very high | 63 Ų | 63 | 62.3 Ų | 62.3 | 41% | 0.409 | 35% | 0.354 | S | S | . | . | trans | -53.8 | 142.3 | 179.7 | -26 | 34 | 0 | 0 | 0 | 112.6 | Y873 I903 | Y873-P901 HydrophobicContact CD1-CB 4.32Å; Y873-P901 HydrophobicContact CD1-CG 4.22Å; Y873-P901 HydrophobicContact CE1-CB 3.78Å; Y873-P901 HydrophobicContact CE1-CG 3.97Å; Y873-P901 WeakPolarHBondContact CE1-O 3.33Å; Y873-P901 PolarHBondContact OH-O 3.48Å; P901-I903 PolarHBondContact O-N 3.29Å | ||
| 902 | G | 91.9 | Very high | 95.4 | Very high | 77 Ų | 77 | 62.2 Ų | 62.2 | 79% | 0.794 | 35% | 0.354 | S | S | * | . | trans | -67.7 | 112.8 | -171.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 903 | I | 94.2 | Very high | 95.6 | Very high | 33 Ų | 33 | 64.8 Ų | 64.8 | 17% | 0.169 | 36% | 0.363 | C | S | . | . | trans | -106.1 | 163.5 | 176.1 | 59.8 | 175.4 | 0 | 0 | 0 | 112.3 | T872 Y873 P901 E905 K906 L908 L909 | T872-I903 HydrophobicContact CG2-CD1 3.96Å; T872-I903 HydrophobicContact CG2-CG2 4.36Å; Y873-I903 HydrophobicContact CE1-CG2 3.78Å; P901-I903 PolarHBondContact O-N 3.29Å; I903-E905 HydrophobicContact CD1-CB 4.41Å; I903-K906 PolarHBondContact O-NZ 3.22Å; I903-L908 HydrophobicContact CD1-CB 4.05Å; I903-L908 HydrophobicContact CD1-CD2 3.89Å; I903-L908 HydrophobicContact CD1-CG 3.86Å; I903-L909 HydrophobicContact CD1-CB 4.12Å; I903-L909 HydrophobicContact CG1-CB 4.03Å; I903-L909 HydrophobicContact CG1-CD1 4.44Å | ||
| 904 | A | 92.7 | Very high | 95.9 | Very high | 93 Ų | 93 | 67.8 Ų | 67.8 | 77% | 0.769 | 37% | 0.371 | S | S | * | . | S | Bend | trans | -69.7 | -43.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | K906 | A904-K906 PolarHBondContact O-N 3.49Š|
| 905 | E | 93.8 | Very high | 96.2 | Very high | 55 Ų | 55 | 62.7 Ų | 62.7 | 26% | 0.257 | 34% | 0.338 | S | S | . | . | trans | -69.9 | 85.7 | 178.5 | -70.8 | 158 | 76.6 | 0 | 0 | 111.4 | R770 I903 D907 L908 L909 | R770-E905 IonicContact CZ-OE1 2.64Å; R770-E905 IonicContact CZ-OE2 2.98Å; R770-E905 IonicContact NH2-OE1 2.62Å; R770-E905 PolarHBondContact NH2-OE1 2.99Å; R770-E905 IonicContact NH2-OE2 3.98Å; R770-E905 PolarHBondContact NH2-OE2 3.44Å; I903-E905 HydrophobicContact CD1-CB 4.41Å; E905-D907 VanDerWaalsContact C-N 3.29Å; E905-D907 PolarHBondContact O-N 2.97Å; E905-L908 HydrophobicContact CB-CB 3.7Å; E905-L908 HydrophobicContact CB-CD2 4.28Å; E905-L908 WeakPolarHBondContact O-CB 3.35Å; E905-L908 PolarHBondContact O-N 3.26Å; E905-L908 VanDerWaalsContact O-N 3.15Å; E905-L909 PolarHBondContact O-N 3Å; E905-L909 VanDerWaalsContact O-N 3.11Å | ||
| 906 | K | 95.7 | Very high | 96.4 | Very high | 133 Ų | 133 | 58.8 Ų | 58.8 | 58% | 0.578 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -62.1 | -36.4 | 179.9 | -54.2 | -50.7 | -180 | -169.8 | 0 | 112.7 | I903 A904 L908 L909 D910 | I903-K906 PolarHBondContact O-NZ 3.22Å; A904-K906 PolarHBondContact O-N 3.49Å; K906-L908 VanDerWaalsContact C-N 3.28Å; K906-L908 PolarHBondContact O-N 2.91Å; K906-L909 WeakPolarHBondContact O-CB 3.5Å; K906-L909 PolarHBondContact O-N 2.71Å; K906-D910 PolarHBondContact O-N 2.91Å; K906-D910 VanDerWaalsContact O-N 3.09Å |
| 907 | D | 96.5 | Very high | 96.5 | Very high | 45 Ų | 45 | 57.3 Ų | 57.3 | 24% | 0.241 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -63.2 | -34.5 | 176.5 | -51.7 | -49.4 | 0 | 0 | 0 | 111.5 | E905 V911 H932 Q933 Y934 K938 | E905-D907 VanDerWaalsContact C-N 3.29Å; E905-D907 PolarHBondContact O-N 2.97Å; D907-V911 WeakPolarHBondContact O-CG2 3.43Å; D907-V911 PolarHBondContact O-N 2.92Å; D907-H932 VanDerWaalsContact CA-CE1 3.42Å; D907-H932 WeakPolarHBondContact CA-CE1 3.44Å; D907-H932 PolarHBondContact O-CE1 2.9Å; D907-Q933 WeakPolarHBondContact OD1-CG 3.2Å; D907-Y934 HydrophobicContact CB-CD2 4.24Å; D907-K938 IonicContact OD1-NZ 3.45Å; D907-K938 PolarHBondContact OD1-NZ 2.91Å; D907-K938 IonicContact OD2-NZ 2.95Å; D907-K938 PolarHBondContact OD2-NZ 3.31Å |
| 908 | L | 97.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -70.7 | -40.8 | 174.4 | 175.3 | 56.2 | 0 | 0 | 0 | 111.9 | R770 L868 T872 I903 E905 K906 D910 V911 L912 Y934 | R770-L908 VanDerWaalsContact NE-CD2 3.35Å; L868-L908 HydrophobicContact CD1-CD1 4.03Å; L868-L908 HydrophobicContact CD2-CD1 3.64Å; L868-L908 HydrophobicContact CG-CD1 3.89Å; T872-L908 HydrophobicContact CG2-CD2 3.94Å; I903-L908 HydrophobicContact CD1-CB 4.05Å; I903-L908 HydrophobicContact CD1-CD2 3.89Å; I903-L908 HydrophobicContact CD1-CG 3.86Å; E905-L908 HydrophobicContact CB-CB 3.7Å; E905-L908 HydrophobicContact CB-CD2 4.28Å; E905-L908 WeakPolarHBondContact O-CB 3.35Å; E905-L908 PolarHBondContact O-N 3.26Å; E905-L908 VanDerWaalsContact O-N 3.15Å; K906-L908 VanDerWaalsContact C-N 3.28Å; K906-L908 PolarHBondContact O-N 2.91Å; L908-D910 PolarHBondContact O-N 3.42Å; L908-V911 PolarHBondContact O-N 3.42Å; L908-L912 HydrophobicContact CD1-CD1 4.11Å; L908-L912 HydrophobicContact CD1-CG 4.13Å; L908-L912 HydrophobicContact CG-CD1 4.02Å; L908-L912 HydrophobicContact CG-CG 4.5Å; L908-L912 WeakPolarHBondContact O-CG 3.38Å; L908-L912 PolarHBondContact O-N 3.41Å; L908-Y934 HydrophobicContact CB-CD2 3.86Å; L908-Y934 HydrophobicContact CB-CE2 3.64Å; L908-Y934 HydrophobicContact CD1-CE1 3.99Å; L908-Y934 HydrophobicContact CD1-CE2 4.28Å; L908-Y934 HydrophobicContact CD2-CE2 4.38Å; L908-Y934 HydrophobicContact CG-CE2 4.32Å |
| 909 | L | 97.8 | Very high | 96.3 | Very high | 24 Ų | 24 | 52.6 Ų | 52.6 | 13% | 0.126 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61.4 | -33.9 | 177.4 | -174.8 | 62 | 0 | 0 | 0 | 111.9 | F900 I903 E905 K906 K913 | F900-L909 HydrophobicContact CB-CD1 3.89Å; I903-L909 HydrophobicContact CD1-CB 4.12Å; I903-L909 HydrophobicContact CG1-CB 4.03Å; I903-L909 HydrophobicContact CG1-CD1 4.44Å; E905-L909 PolarHBondContact O-N 3Å; E905-L909 VanDerWaalsContact O-N 3.11Å; K906-L909 WeakPolarHBondContact O-CB 3.5Å; K906-L909 PolarHBondContact O-N 2.71Å; L909-K913 VanDerWaalsContact O-CG 3.32Å; L909-K913 WeakPolarHBondContact O-CG 3.39Å; L909-K913 PolarHBondContact O-N 3.24Å |
| 910 | D | 98 | Very high | 96.2 | Very high | 49 Ų | 49 | 49 Ų | 49 | 26% | 0.262 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -70.5 | -47.7 | 173.6 | -172.9 | 37.5 | 0 | 0 | 0 | 111.8 | K906 L908 L912 K913 R914 H932 | K906-D910 PolarHBondContact O-N 2.91Å; K906-D910 VanDerWaalsContact O-N 3.09Å; L908-D910 PolarHBondContact O-N 3.42Å; D910-L912 VanDerWaalsContact C-N 3.33Å; D910-L912 PolarHBondContact O-N 3.08Å; D910-K913 PolarHBondContact O-N 2.91Å; D910-R914 WeakPolarHBondContact O-CB 3.25Å; D910-R914 WeakPolarHBondContact O-CG 3.35Å; D910-R914 PolarHBondContact O-N 3.4Å; D910-R914 IonicContact OD1-CZ 3.32Å; D910-R914 IonicContact OD1-NE 2.74Å; D910-R914 PolarHBondContact OD1-NE 3.33Å; D910-R914 IonicContact OD1-NH2 3.52Å; D910-R914 PolarHBondContact OD1-NH2 2.87Å; D910-R914 IonicContact OD2-CZ 3.59Å; D910-R914 VanDerWaalsContact OD2-CZ 3.23Å; D910-R914 IonicContact OD2-NE 2.7Å; D910-R914 PolarHBondContact OD2-NE 3.47Å; D910-R914 IonicContact OD2-NH2 3.61Å; D910-R914 PolarHBondContact OD2-NH2 3.47Å; D910-H932 IonicContact OD1-NE2 2.78Å; D910-H932 IonicContact OD2-CE1 2.68Å; D910-H932 IonicContact OD2-NE2 3.95Å; D910-H932 PolarHBondContact OD2-NE2 3.4Å |
| 911 | V | 98.4 | Very high | 96 | Very high | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -52 | -51.1 | 173.2 | 171.1 | 0 | 0 | 0 | 0 | 111.2 | W774 L868 D907 L908 K913 R914 C915 L929 H932 Y934 | W774-V911 HydrophobicContact CH2-CG1 4.44Å; W774-V911 HydrophobicContact CZ2-CG1 3.61Å; L868-V911 HydrophobicContact CD2-CB 4.41Å; L868-V911 HydrophobicContact CD2-CG1 3.51Å; D907-V911 WeakPolarHBondContact O-CG2 3.43Å; D907-V911 PolarHBondContact O-N 2.92Å; L908-V911 PolarHBondContact O-N 3.42Å; V911-K913 VanDerWaalsContact C-N 3.33Å; V911-K913 PolarHBondContact O-N 3.21Å; V911-R914 PolarHBondContact O-N 2.89Å; V911-C915 WeakPolarHBondContact O-CB 3.46Å; V911-C915 PolarHBondContact O-N 3.13Å; V911-C915 PolarHBondContact O-SG 3.04Å; V911-L929 HydrophobicContact CG1-CD2 3.82Å; V911-L929 HydrophobicContact CG2-CD2 4.3Å; V911-H932 VanDerWaalsContact CG2-ND1 3.34Å; V911-H932 WeakPolarHBondContact CG2-ND1 3.21Å; V911-Y934 HydrophobicContact CG2-CD1 4.34Å; V911-Y934 HydrophobicContact CG2-CG 4.34Å |
| 912 | L | 98.6 | Very high | 96 | Very high | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -58.4 | -43.5 | -178.3 | -73.3 | 168.6 | 0 | 0 | 0 | 112.4 | L868 Y869 T872 Y873 F900 L908 D910 L916 | L868-L912 HydrophobicContact CB-CD2 4.02Å; L868-L912 HydrophobicContact CD2-CD2 3.92Å; L868-L912 HydrophobicContact CD2-CG 4.28Å; L868-L912 HydrophobicContact CG-CD2 3.82Å; Y869-L912 HydrophobicContact CD2-CD2 4.38Å; T872-L912 HydrophobicContact CG2-CD1 3.92Å; Y873-L912 HydrophobicContact CE2-CD1 3.96Å; F900-L912 HydrophobicContact CD1-CB 4.22Å; F900-L912 HydrophobicContact CE1-CB 3.99Å; L908-L912 HydrophobicContact CD1-CD1 4.11Å; L908-L912 HydrophobicContact CD1-CG 4.13Å; L908-L912 HydrophobicContact CG-CD1 4.02Å; L908-L912 HydrophobicContact CG-CG 4.5Å; L908-L912 WeakPolarHBondContact O-CG 3.38Å; L908-L912 PolarHBondContact O-N 3.41Å; D910-L912 VanDerWaalsContact C-N 3.33Å; D910-L912 PolarHBondContact O-N 3.08Å; L912-L916 WeakPolarHBondContact O-CB 3.45Å; L912-L916 WeakPolarHBondContact O-CG 3.49Å; L912-L916 PolarHBondContact O-N 3.35Å |
| 913 | K | 98.2 | Very high | 96.3 | Very high | 101 Ų | 101 | 57.1 Ų | 57.1 | 44% | 0.439 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -66.5 | -42.2 | 177 | -74.2 | 174.4 | 178.3 | -175.4 | 0 | 112.2 | F900 L909 D910 V911 L916 V917 | F900-K913 HydrophobicContact CD1-CG 3.9Å; F900-K913 HydrophobicContact CD2-CG 4Å; F900-K913 HydrophobicContact CE1-CG 3.89Å; F900-K913 HydrophobicContact CE2-CG 3.99Å; F900-K913 HydrophobicContact CG-CG 3.96Å; F900-K913 HydrophobicContact CZ-CG 3.93Å; L909-K913 VanDerWaalsContact O-CG 3.32Å; L909-K913 WeakPolarHBondContact O-CG 3.39Å; L909-K913 PolarHBondContact O-N 3.24Å; D910-K913 PolarHBondContact O-N 2.91Å; V911-K913 VanDerWaalsContact C-N 3.33Å; V911-K913 PolarHBondContact O-N 3.21Å; K913-L916 PolarHBondContact O-N 3.35Å; K913-V917 WeakPolarHBondContact O-CG2 3.27Å; K913-V917 PolarHBondContact O-N 2.89Å |
| 914 | R | 98.4 | Very high | 96.5 | Very high | 114 Ų | 114 | 56 Ų | 56 | 43% | 0.43 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -71.7 | -31.6 | -179.1 | -68.5 | -172.8 | -163.8 | -145.1 | 16.2 | 113.7 | D910 V911 R923 I924 | D910-R914 WeakPolarHBondContact O-CB 3.25Å; D910-R914 WeakPolarHBondContact O-CG 3.35Å; D910-R914 PolarHBondContact O-N 3.4Å; D910-R914 IonicContact OD1-CZ 3.32Å; D910-R914 IonicContact OD1-NE 2.74Å; D910-R914 PolarHBondContact OD1-NE 3.33Å; D910-R914 IonicContact OD1-NH2 3.52Å; D910-R914 PolarHBondContact OD1-NH2 2.87Å; D910-R914 IonicContact OD2-CZ 3.59Å; D910-R914 VanDerWaalsContact OD2-CZ 3.23Å; D910-R914 IonicContact OD2-NE 2.7Å; D910-R914 PolarHBondContact OD2-NE 3.47Å; D910-R914 IonicContact OD2-NH2 3.61Å; D910-R914 PolarHBondContact OD2-NH2 3.47Å; V911-R914 PolarHBondContact O-N 2.89Å; R914-R923 WeakPolarHBondContact O-CG 3.45Å; R914-I924 HydrophobicContact CB-CB 3.99Å; R914-I924 HydrophobicContact CB-CD1 4.33Å; R914-I924 HydrophobicContact CB-CG2 3.84Å; R914-I924 PolarHBondContact O-N 2.7Å |
| 915 | C | 98.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -72.5 | -35.7 | 173.6 | -66.3 | 0 | 0 | 0 | 0 | 112.4 | V861 V911 V917 R923 | V861-C915 HydrophobicContact CG1-CB 4.17Å; V911-C915 WeakPolarHBondContact O-CB 3.46Å; V911-C915 PolarHBondContact O-N 3.13Å; V911-C915 PolarHBondContact O-SG 3.04Å; C915-V917 VanDerWaalsContact C-N 3.34Å; C915-V917 PolarHBondContact O-N 2.99Å; C915-R923 VanDerWaalsContact O-CD 3.23Å; C915-R923 WeakPolarHBondContact O-CD 3.38Å; C915-R923 VanDerWaalsContact O-CG 3.28Å; C915-R923 WeakPolarHBondContact O-CG 3.4Å |
| 916 | L | 98.3 | Very high | 96.9 | Very high | 8 Ų | 8 | 50.5 Ų | 50.5 | 4% | 0.042 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | 25.8 | -176.4 | -61.5 | 177.8 | 0 | 0 | 0 | 113.6 | W862 Y869 P877 I898 F900 L912 K913 | W862-L916 HydrophobicContact CD2-CD2 4.01Å; W862-L916 HydrophobicContact CE3-CD2 4.11Å; W862-L916 HydrophobicContact CG-CD2 4.44Å; W862-L916 HydrophobicContact CZ3-CB 4.38Å; W862-L916 HydrophobicContact CZ3-CD2 4.47Å; W862-L916 WeakPolarHBondContact CZ3-O 3.32Å; Y869-L916 HydrophobicContact CD2-CD1 3.89Å; Y869-L916 HydrophobicContact CG-CD1 4.34Å; P877-L916 HydrophobicContact CB-CD1 4.4Å; P877-L916 HydrophobicContact CG-CD1 3.66Å; P877-L916 HydrophobicContact CG-CD2 4.42Å; I898-L916 HydrophobicContact CD1-CB 3.98Å; I898-L916 HydrophobicContact CD1-CD1 4.48Å; I898-L916 HydrophobicContact CG2-CD1 4.41Å; F900-L916 HydrophobicContact CE1-CD1 4.1Å; F900-L916 HydrophobicContact CZ-CB 4.21Å; F900-L916 HydrophobicContact CZ-CD1 4.18Å; L912-L916 WeakPolarHBondContact O-CB 3.45Å; L912-L916 WeakPolarHBondContact O-CG 3.49Å; L912-L916 PolarHBondContact O-N 3.35Å; K913-L916 PolarHBondContact O-N 3.35Å |
| 917 | V | 97.8 | Very high | 97 | Very high | 39 Ų | 39 | 46 Ų | 46 | 24% | 0.236 | 22% | 0.218 | C | C | . | . | trans | -72.8 | 126.9 | 169 | -179.7 | 0 | 0 | 0 | 0 | 109.6 | K913 C915 N919 E922 R923 | K913-V917 WeakPolarHBondContact O-CG2 3.27Å; K913-V917 PolarHBondContact O-N 2.89Å; C915-V917 VanDerWaalsContact C-N 3.34Å; C915-V917 PolarHBondContact O-N 2.99Å; V917-N919 PolarHBondContact O-N 3.03Å; V917-E922 HydrophobicContact CG1-CB 3.71Å; V917-R923 HydrophobicContact CB-CB 4.1Å; V917-R923 HydrophobicContact CB-CG 4.41Å; V917-R923 PolarHBondContact O-NE 3.21Å; V917-R923 PolarHBondContact O-NH2 2.91Å | ||
| 918 | R | 94.9 | Very high | 97 | Very high | 47 Ų | 47 | 48.4 Ų | 48.4 | 18% | 0.177 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -67.9 | -34.8 | -176.3 | -73.6 | -171.8 | 174.4 | 100.6 | -5.5 | 114 | P838 W862 A890 I891 D893 H896 P920 R923 | P838-R918 HydrophobicContact CG-CB 4.33Å; P838-R918 HydrophobicContact CG-CG 4.4Å; P838-R918 WeakPolarHBondContact CG-O 3.15Å; W862-R918 HydrophobicContact CH2-CG 4.06Å; W862-R918 HydrophobicContact CZ3-CG 4Å; A890-R918 PolarHBondContact O-NH2 2.98Å; I891-R918 WeakPolarHBondContact O-CD 3.25Å; I891-R918 PolarHBondContact O-NE 2.94Å; D893-R918 PolarHBondContact O-NE 2.95Å; D893-R918 VanDerWaalsContact O-NE 3.07Å; D893-R918 PolarHBondContact O-NH1 2.96Å; D893-R918 PolarHBondContact O-NH2 3.5Å; D893-R918 VanDerWaalsContact O-NH2 3.11Å; H896-R918 VanDerWaalsContact O-CZ 3.22Å; H896-R918 PolarHBondContact O-NH1 3.48Å; H896-R918 PolarHBondContact O-NH2 3.47Å; R918-P920 WeakPolarHBondContact O-CD 3.48Å; R918-R923 PolarHBondContact O-NH2 3.13Å |
| 919 | N | 93.3 | Very high | 97 | Very high | 59 Ų | 59 | 48.4 Ų | 48.4 | 32% | 0.316 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -77.9 | 114.9 | 174.1 | -177.1 | -2.7 | 0 | 0 | 0 | 110 | V917 R921 E922 R923 | V917-N919 PolarHBondContact O-N 3.03Å; N919-R921 PolarHBondContact O-N 3.42Å; N919-R921 VanDerWaalsContact O-N 3.1Å; N919-R921 WeakPolarHBondContact OD1-CB 3.48Å; N919-R921 PolarHBondContact OD1-N 3.35Å; N919-E922 HydrophobicContact CB-CB 4.24Å; N919-E922 HydrophobicContact CB-CG 4.23Å; N919-E922 VanDerWaalsContact ND2-CD 3.28Å; N919-E922 PolarHBondContact ND2-OE1 2.86Å; N919-E922 PolarHBondContact O-N 3.05Å; N919-R923 PolarHBondContact O-N 3.25Å |
| 920 | P | 93.3 | Very high | 97 | Very high | 35 Ų | 35 | 49.7 Ų | 49.7 | 23% | 0.227 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -14.6 | -179.2 | 26.9 | -35.3 | 0 | 0 | 0 | 113.9 | E839 K858 R918 | E839-P920 HydrophobicContact CB-CG 4.45Å; K858-P920 HydrophobicContact CB-CB 3.92Å; K858-P920 WeakPolarHBondContact CD-O 3.32Å; K858-P920 VanDerWaalsContact CG-O 3.24Å; K858-P920 WeakPolarHBondContact CG-O 3.26Å; R918-P920 WeakPolarHBondContact O-CD 3.48Å |
| 921 | R | 92.9 | Very high | 96.9 | Very high | 226 Ų | 226 | 54.4 Ų | 54.4 | 85% | 0.853 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.6 | -33.1 | 172.5 | -66.1 | 179.7 | 170.1 | 179.3 | -5.3 | 113.1 | N919 | N919-R921 PolarHBondContact O-N 3.42Å; N919-R921 VanDerWaalsContact O-N 3.1Å; N919-R921 WeakPolarHBondContact OD1-CB 3.48Å; N919-R921 PolarHBondContact OD1-N 3.35Å |
| 922 | E | 95.7 | Very high | 96.9 | Very high | 138 Ų | 138 | 55.4 Ų | 55.4 | 65% | 0.645 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.1 | -26.1 | -180 | -68.2 | 156.8 | -151.2 | 0 | 0 | 112.3 | V917 N919 | V917-E922 HydrophobicContact CG1-CB 3.71Å; N919-E922 HydrophobicContact CB-CB 4.24Å; N919-E922 HydrophobicContact CB-CG 4.23Å; N919-E922 VanDerWaalsContact ND2-CD 3.28Å; N919-E922 PolarHBondContact ND2-OE1 2.86Å; N919-E922 PolarHBondContact O-N 3.05Å |
| 923 | R | 97.8 | Very high | 96.7 | Very high | 1 Ų | 1 | 58.8 Ų | 58.8 | 0% | 0.004 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -55.4 | 138.5 | 171.7 | -163.6 | -176.2 | -57.8 | 149.7 | 9 | 110.1 | E839 K858 V861 R914 C915 V917 R918 N919 | E839-R923 IonicContact OE1-CZ 3.66Å; E839-R923 IonicContact OE1-NH1 2.98Å; E839-R923 PolarHBondContact OE1-NH1 3.31Å; E839-R923 IonicContact OE1-NH2 3.9Å; E839-R923 IonicContact OE2-CZ 3.81Å; E839-R923 IonicContact OE2-NH1 2.72Å; E839-R923 PolarHBondContact OE2-NH1 2.82Å; E839-R923 IonicContact OE2-NH2 2.67Å; E839-R923 PolarHBondContact OE2-NH2 3.14Å; K858-R923 VanDerWaalsContact C-NH1 3.34Å; K858-R923 WeakPolarHBondContact CD-O 3.46Å; K858-R923 WeakPolarHBondContact CE-O 3.36Å; K858-R923 PolarHBondContact NZ-O 3.31Å; K858-R923 VanDerWaalsContact O-CD 3.29Å; K858-R923 WeakPolarHBondContact O-CD 3.28Å; K858-R923 PolarHBondContact O-NH1 2.98Å; V861-R923 HydrophobicContact CG1-CG 4.25Å; R914-R923 WeakPolarHBondContact O-CG 3.45Å; C915-R923 VanDerWaalsContact O-CD 3.23Å; C915-R923 WeakPolarHBondContact O-CD 3.38Å; C915-R923 VanDerWaalsContact O-CG 3.28Å; C915-R923 WeakPolarHBondContact O-CG 3.4Å; V917-R923 HydrophobicContact CB-CB 4.1Å; V917-R923 HydrophobicContact CB-CG 4.41Å; V917-R923 PolarHBondContact O-NE 3.21Å; V917-R923 PolarHBondContact O-NH2 2.91Å; R918-R923 PolarHBondContact O-NH2 3.13Å; N919-R923 PolarHBondContact O-N 3.25Å |
| 924 | I | 98.2 | Very high | 96.6 | Very high | 8 Ų | 8 | 54 Ų | 54 | 4% | 0.041 | 26% | 0.255 | C | S | . | . | P | Polyproline II helix | trans | -62.9 | 158.7 | 178.9 | -165.5 | 163.9 | 0 | 0 | 0 | 112.2 | K858 V861 R914 E928 L929 | K858-I924 WeakPolarHBondContact CD-O 3.27Å; K858-I924 VanDerWaalsContact NZ-C 3.33Å; K858-I924 PolarHBondContact NZ-O 2.96Å; V861-I924 HydrophobicContact CG1-CG2 3.98Å; V861-I924 WeakPolarHBondContact CG1-O 3.22Å; R914-I924 HydrophobicContact CB-CB 3.99Å; R914-I924 HydrophobicContact CB-CD1 4.33Å; R914-I924 HydrophobicContact CB-CG2 3.84Å; R914-I924 PolarHBondContact O-N 2.7Å; I924-E928 HydrophobicContact CD1-CB 3.81Å; I924-E928 HydrophobicContact CG1-CB 3.46Å; I924-E928 VanDerWaalsContact CG1-CB 3.46Å; I924-E928 HydrophobicContact CG1-CG 4.36Å; I924-L929 HydrophobicContact CD1-CD2 3.86Å; I924-L929 HydrophobicContact CD1-CG 4.01Å; I924-L929 HydrophobicContact CG1-CD2 4.39Å; I924-L929 HydrophobicContact CG1-CG 4.06Å; I924-L929 HydrophobicContact CG2-CD1 3.82Å; I924-L929 HydrophobicContact CG2-CD2 3.84Å; I924-L929 HydrophobicContact CG2-CG 3.72Å |
| 925 | S | 97.8 | Very high | 96.4 | Very high | 30 Ų | 30 | 50 Ų | 50 | 21% | 0.21 | 24% | 0.242 | C | C | . | . | P | Polyproline II helix | trans | -97.2 | 165.6 | 171.8 | 70.2 | 0 | 0 | 0 | 0 | 112.8 | A927 E928 L929 | S925-A927 VanDerWaalsContact C-N 3.26Å; S925-A927 PolarHBondContact O-N 3.04Å; S925-E928 WeakPolarHBondContact CA-OE2 3.34Å; S925-E928 WeakPolarHBondContact CB-OE2 3.43Å; S925-E928 PolarHBondContact N-OE2 3.5Å; S925-E928 PolarHBondContact O-N 3.23Å; S925-E928 WeakPolarHBondContact OG-CG 3.26Å; S925-E928 PolarHBondContact OG-N 3.07Å; S925-E928 PolarHBondContact OG-OE2 3.24Å; S925-L929 WeakPolarHBondContact O-CB 3.43Å; S925-L929 VanDerWaalsContact O-CG 3.29Å; S925-L929 WeakPolarHBondContact O-CG 3.47Å; S925-L929 PolarHBondContact O-N 2.99Å |
| 926 | I | 97.6 | Very high | 95.7 | Very high | 4 Ų | 4 | 54.7 Ų | 54.7 | 2% | 0.021 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -60.4 | -34.5 | 173.9 | -56.4 | -68.6 | 0 | 0 | 0 | 112.1 | L778 V781 H782 V861 L864 L929 L930 | L778-I926 HydrophobicContact CB-CG2 4.41Å; L778-I926 HydrophobicContact CD2-CD1 3.69Å; L778-I926 HydrophobicContact CD2-CG2 4.08Å; V781-I926 HydrophobicContact CB-CD1 4.46Å; V781-I926 HydrophobicContact CG1-CD1 3.85Å; V781-I926 HydrophobicContact CG1-CG1 4.17Å; H782-I926 HydrophobicContact CB-CG2 3.57Å; V861-I926 HydrophobicContact CG2-CD1 3.62Å; V861-I926 HydrophobicContact CG2-CG1 3.85Å; L864-I926 HydrophobicContact CD1-CD1 3.68Å; I926-L929 PolarHBondContact O-N 3.2Å; I926-L930 HydrophobicContact CG2-CD1 4.19Å; I926-L930 WeakPolarHBondContact O-CG 3.35Å; I926-L930 PolarHBondContact O-N 3.5Å |
| 927 | A | 96.7 | Very high | 93.8 | Very high | 37 Ų | 37 | 61.9 Ų | 61.9 | 31% | 0.306 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -66.3 | -51.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | S925 L929 L930 E931 | S925-A927 VanDerWaalsContact C-N 3.26Å; S925-A927 PolarHBondContact O-N 3.04Å; A927-L929 PolarHBondContact O-N 2.87Å; A927-L930 PolarHBondContact O-N 3.33Å; A927-L930 VanDerWaalsContact O-N 3.11Å; A927-E931 PolarHBondContact O-N 3.12Å |
| 928 | E | 97.5 | Very high | 91.7 | Very high | 97 Ų | 97 | 65.1 Ų | 65.1 | 45% | 0.453 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -60 | -30.4 | 175.1 | -64.8 | 160.2 | 104.1 | 0 | 0 | 112.3 | K858 I924 S925 H932 | K858-E928 IonicContact NZ-OE2 2.83Å; I924-E928 HydrophobicContact CD1-CB 3.81Å; I924-E928 HydrophobicContact CG1-CB 3.46Å; I924-E928 VanDerWaalsContact CG1-CB 3.46Å; I924-E928 HydrophobicContact CG1-CG 4.36Å; S925-E928 WeakPolarHBondContact CA-OE2 3.34Å; S925-E928 WeakPolarHBondContact CB-OE2 3.43Å; S925-E928 PolarHBondContact N-OE2 3.5Å; S925-E928 PolarHBondContact O-N 3.23Å; S925-E928 WeakPolarHBondContact OG-CG 3.26Å; S925-E928 PolarHBondContact OG-N 3.07Å; S925-E928 PolarHBondContact OG-OE2 3.24Å; E928-H932 PolarHBondContact O-N 3.41Å; E928-H932 VanDerWaalsContact O-N 3.17Å |
| 929 | L | 98.1 | Very high | 89.2 | Confident | 0 Ų | 0 | 68.7 Ų | 68.7 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -73.9 | -34.2 | 175.1 | -77.9 | 171.3 | 0 | 0 | 0 | 114 | W774 L778 V861 V911 I924 S925 I926 A927 E931 H932 | W774-L929 HydrophobicContact CH2-CD1 4.46Å; W774-L929 HydrophobicContact CZ2-CD1 4.05Å; W774-L929 HydrophobicContact CZ2-CD2 4.13Å; L778-L929 HydrophobicContact CD1-CB 3.91Å; L778-L929 HydrophobicContact CD2-CB 3.93Å; L778-L929 HydrophobicContact CD2-CD1 3.86Å; V861-L929 HydrophobicContact CG1-CD1 3.83Å; V911-L929 HydrophobicContact CG1-CD2 3.82Å; V911-L929 HydrophobicContact CG2-CD2 4.3Å; I924-L929 HydrophobicContact CD1-CD2 3.86Å; I924-L929 HydrophobicContact CD1-CG 4.01Å; I924-L929 HydrophobicContact CG1-CD2 4.39Å; I924-L929 HydrophobicContact CG1-CG 4.06Å; I924-L929 HydrophobicContact CG2-CD1 3.82Å; I924-L929 HydrophobicContact CG2-CD2 3.84Å; I924-L929 HydrophobicContact CG2-CG 3.72Å; S925-L929 WeakPolarHBondContact O-CB 3.43Å; S925-L929 VanDerWaalsContact O-CG 3.29Å; S925-L929 WeakPolarHBondContact O-CG 3.47Å; S925-L929 PolarHBondContact O-N 2.99Å; I926-L929 PolarHBondContact O-N 3.2Å; A927-L929 PolarHBondContact O-N 2.87Å; L929-E931 VanDerWaalsContact C-N 3.3Å; L929-H932 WeakPolarHBondContact O-CB 3.37Å; L929-H932 PolarHBondContact O-N 3.3Å |
| 930 | L | 96.9 | Very high | 86.5 | Confident | 51 Ų | 51 | 74.3 Ų | 74.3 | 27% | 0.267 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -68.3 | -32.5 | 174.8 | -76.1 | 167 | 0 | 0 | 0 | 111.7 | L778 E779 H782 I926 A927 L935 | L778-L930 HydrophobicContact CB-CD2 3.69Å; L778-L930 HydrophobicContact CB-CG 4.15Å; L778-L930 HydrophobicContact CD1-CD2 4.4Å; E779-L930 HydrophobicContact CG-CD2 4.24Å; H782-L930 HydrophobicContact CB-CD1 3.99Å; I926-L930 HydrophobicContact CG2-CD1 4.19Å; I926-L930 WeakPolarHBondContact O-CG 3.35Å; I926-L930 PolarHBondContact O-N 3.5Å; A927-L930 PolarHBondContact O-N 3.33Å; A927-L930 VanDerWaalsContact O-N 3.11Å; L930-L935 HydrophobicContact CD2-CD1 4.48Å |
| 931 | E | 96.5 | Very high | 83.9 | Confident | 147 Ų | 147 | 77.8 Ų | 77.8 | 69% | 0.687 | 39% | 0.391 | S | S | * | . | S | Bend | trans | -84.4 | -11.8 | 176.4 | -66.2 | 175.8 | -174.6 | 0 | 0 | 113.4 | A927 L929 Q936 | A927-E931 PolarHBondContact O-N 3.12Å; L929-E931 VanDerWaalsContact C-N 3.3Å; E931-Q936 PolarHBondContact O-NE2 3.11Å |
| 932 | H | 97.4 | Very high | 80.9 | Confident | 22 Ų | 22 | 71 Ų | 71 | 10% | 0.102 | 38% | 0.378 | C | S | . | . | S | Bend | trans | -63.2 | 145.5 | -170 | -168.8 | -88 | 0 | 0 | 0 | 113.7 | D907 D910 V911 E928 L929 Y934 L935 Q936 | D907-H932 VanDerWaalsContact CA-CE1 3.42Å; D907-H932 WeakPolarHBondContact CA-CE1 3.44Å; D907-H932 PolarHBondContact O-CE1 2.9Å; D910-H932 IonicContact OD1-NE2 2.78Å; D910-H932 IonicContact OD2-CE1 2.68Å; D910-H932 IonicContact OD2-NE2 3.95Å; D910-H932 PolarHBondContact OD2-NE2 3.4Å; V911-H932 VanDerWaalsContact CG2-ND1 3.34Å; V911-H932 WeakPolarHBondContact CG2-ND1 3.21Å; E928-H932 PolarHBondContact O-N 3.41Å; E928-H932 VanDerWaalsContact O-N 3.17Å; L929-H932 WeakPolarHBondContact O-CB 3.37Å; L929-H932 PolarHBondContact O-N 3.3Å; H932-Y934 PolarHBondContact ND1-N 2.74Å; H932-Y934 PolarHBondContact O-N 3.48Å; H932-L935 PolarHBondContact O-N 3.09Å; H932-Q936 PolarHBondContact O-N 2.89Å |
| 933 | Q | 95.3 | Very high | 78.5 | Confident | 70 Ų | 70 | 70.1 Ų | 70.1 | 33% | 0.327 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.7 | -26.7 | -177.9 | -171.6 | 65.5 | 95.3 | 0 | 0 | 114.1 | D907 Q936 K938 | D907-Q933 WeakPolarHBondContact OD1-CG 3.2Å; Q933-Q936 PolarHBondContact O-N 2.61Å; Q933-K938 VanDerWaalsContact CG-CE 3.49Å |
| 934 | Y | 96.1 | Very high | 75.4 | Confident | 2 Ų | 2 | 76.4 Ų | 76.4 | 1% | 0.008 | 41% | 0.414 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -38.8 | 174.7 | -179.6 | -121.8 | 0 | 0 | 0 | 113 | K771 W774 D907 L908 V911 H932 | K771-Y934 HydrophobicContact CB-CE1 4.27Å; K771-Y934 VanDerWaalsContact CD-O 3.29Å; K771-Y934 WeakPolarHBondContact CD-O 3.42Å; K771-Y934 WeakPolarHBondContact CE-O 3.43Å; K771-Y934 HydrophobicContact CG-CE1 4.06Å; K771-Y934 PolarHBondContact NZ-O 3.29Å; W774-Y934 AromaticContact CD1-CD1 3.71Å; W774-Y934 AromaticContact CD1-CE1 3.74Å; W774-Y934 HydrophobicContact CG-CE1 4.27Å; D907-Y934 HydrophobicContact CB-CD2 4.24Å; L908-Y934 HydrophobicContact CB-CD2 3.86Å; L908-Y934 HydrophobicContact CB-CE2 3.64Å; L908-Y934 HydrophobicContact CD1-CE1 3.99Å; L908-Y934 HydrophobicContact CD1-CE2 4.28Å; L908-Y934 HydrophobicContact CD2-CE2 4.38Å; L908-Y934 HydrophobicContact CG-CE2 4.32Å; V911-Y934 HydrophobicContact CG2-CD1 4.34Å; V911-Y934 HydrophobicContact CG2-CG 4.34Å; H932-Y934 PolarHBondContact ND1-N 2.74Å; H932-Y934 PolarHBondContact O-N 3.48Å |
| 935 | L | 93.5 | Very high | 72.7 | Confident | 29 Ų | 29 | 80.8 Ų | 80.8 | 15% | 0.152 | 44% | 0.443 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | -26.5 | 178.3 | -71.5 | -174.7 | 0 | 0 | 0 | 113 | K771 K775 L778 L930 H932 L937 | K771-L935 HydrophobicContact CG-CD2 3.9Å; K775-L935 HydrophobicContact CB-CD1 4.34Å; K775-L935 HydrophobicContact CB-CD2 3.85Å; K775-L935 HydrophobicContact CG-CD1 4.33Å; L778-L935 HydrophobicContact CD1-CD1 3.92Å; L930-L935 HydrophobicContact CD2-CD1 4.48Å; H932-L935 PolarHBondContact O-N 3.09Å; L935-L937 PolarHBondContact O-N 3.17Å |
| 936 | Q | 83.9 | Confident | 70 | Confident | 99 Ų | 99 | 88.3 Ų | 88.3 | 46% | 0.463 | 47% | 0.474 | S | S | . | . | S | Bend | trans | -62.4 | 130.7 | 175.1 | -62.5 | -177.8 | 15.5 | 0 | 0 | 111.2 | E931 H932 Q933 K938 | E931-Q936 PolarHBondContact O-NE2 3.11Å; H932-Q936 PolarHBondContact O-N 2.89Å; Q933-Q936 PolarHBondContact O-N 2.61Å; Q936-K938 PolarHBondContact O-N 3.31Å |
| 937 | L | 58.9 | Low | 67.4 | Low | 159 Ų | 159 | 97.6 Ų | 97.6 | 83% | 0.832 | 51% | 0.509 | S | S | * | . | trans | -75.2 | 90.1 | 170.5 | -67.5 | 173.3 | 0 | 0 | 0 | 109.2 | L935 P939 | L935-L937 PolarHBondContact O-N 3.17Å; L937-P939 VanDerWaalsContact O-CD 3.3Å; L937-P939 WeakPolarHBondContact O-CD 3.46Å | ||
| 938 | K | 52.8 | Low | 65 | Low | 107 Ų | 107 | 100 Ų | 100 | 47% | 0.465 | 52% | 0.521 | S | S | . | . | trans | -54 | 120.5 | 157.7 | -73.5 | 172.2 | -178.3 | 159.9 | 0 | 107 | D907 Q933 Q936 Q940 | D907-K938 IonicContact OD1-NZ 3.45Å; D907-K938 PolarHBondContact OD1-NZ 2.91Å; D907-K938 IonicContact OD2-NZ 2.95Å; D907-K938 PolarHBondContact OD2-NZ 3.31Å; Q933-K938 VanDerWaalsContact CG-CE 3.49Å; Q936-K938 PolarHBondContact O-N 3.31Å; K938-Q940 PolarHBondContact O-N 3.03Å | ||
| 939 | P | 43.1 | Very low | 62.9 | Low | 121 Ų | 121 | 97.8 Ų | 97.8 | 79% | 0.786 | 52% | 0.517 | S | S | * | . | trans | -55.4 | 126.6 | 169.1 | -22 | 33.5 | 0 | 0 | 0 | 107.5 | L937 S941 | L937-P939 VanDerWaalsContact O-CD 3.3Å; L937-P939 WeakPolarHBondContact O-CD 3.46Å; P939-S941 VanDerWaalsContact C-N 3.34Å; P939-S941 PolarHBondContact O-N 3.45Å | ||
| 940 | Q | 36.3 | Very low | 60.6 | Low | 177 Ų | 177 | 102.6 Ų | 102.6 | 83% | 0.827 | 54% | 0.543 | S | S | * | . | trans | -64.7 | 103.9 | 166.6 | -77.2 | -74 | -20.2 | 0 | 0 | 106.1 | K938 S942 | K938-Q940 PolarHBondContact O-N 3.03Å; Q940-S942 PolarHBondContact O-N 2.92Å | ||
| 941 | S | 38 | Very low | 58.6 | Low | 109 Ų | 109 | 106 Ų | 106 | 76% | 0.762 | 56% | 0.561 | S | S | * | * | trans | -65.2 | 82.9 | 158.7 | 56.1 | 0 | 0 | 0 | 0 | 106.5 | P939 | P939-S941 VanDerWaalsContact C-N 3.34Å; P939-S941 PolarHBondContact O-N 3.45Å | ||
| 942 | S | 31.6 | Very low | 56.6 | Low | 82 Ų | 82 | 101.9 Ų | 101.9 | 57% | 0.573 | 54% | 0.544 | S | S | * | . | P | Polyproline II helix | trans | -49.1 | 137.7 | 164 | 50.5 | 0 | 0 | 0 | 0 | 107.5 | Q940 E944 | Q940-S942 PolarHBondContact O-N 2.92Å; S942-E944 PolarHBondContact O-N 3.39Å |
| 943 | P | 43.5 | Very low | 54.6 | Low | 120 Ų | 120 | 104.7 Ų | 104.7 | 78% | 0.779 | 56% | 0.559 | S | S | * | * | P | Polyproline II helix | trans | -50.1 | 132.6 | 159.7 | 25.2 | -32.9 | 0 | 0 | 0 | 106.9 | P945 | P943-P945 VanDerWaalsContact O-N 3.13Š|
| 944 | E | 33.8 | Very low | 52.6 | Low | 134 Ų | 134 | 106.7 Ų | 106.7 | 63% | 0.626 | 57% | 0.567 | S | S | * | * | P | Polyproline II helix | trans | -51.4 | 126.7 | 179.7 | -173.9 | -179.1 | 173.1 | 0 | 0 | 107 | S942 E946 R947 | S942-E944 PolarHBondContact O-N 3.39Å; E944-E946 PolarHBondContact O-N 3.43Å; E944-R947 IonicContact OE1-CZ 2.66Å; E944-R947 IonicContact OE1-NE 2.84Å; E944-R947 IonicContact OE1-NH2 1.98Å; E944-R947 PolarHBondContact OE1-NH2 2.86Å |
| 945 | P | 41.2 | Very low | 51 | Low | 100 Ų | 100 | 112.7 Ų | 112.7 | 65% | 0.649 | 59% | 0.589 | S | S | * | * | trans | -60.5 | 112.8 | -178.2 | 23.9 | -32.8 | 0 | 0 | 0 | 107.4 | P943 R947 | P943-P945 VanDerWaalsContact O-N 3.13Å; P945-R947 PolarHBondContact O-N 3.49Å | ||
| 946 | E | 41.3 | Very low | 49.4 | Very low | 188 Ų | 188 | 113.8 Ų | 113.8 | 88% | 0.879 | 60% | 0.595 | S | S | * | * | trans | -50.9 | 111.3 | 174.3 | -78.2 | -166 | 156.5 | 0 | 0 | 107 | E944 P948 | E944-E946 PolarHBondContact O-N 3.43Å; E946-P948 VanDerWaalsContact O-N 3.13Å | ||
| 947 | R | 44.1 | Very low | 48 | Very low | 198 Ų | 198 | 114.4 Ų | 114.4 | 75% | 0.747 | 60% | 0.601 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 123.7 | -173.9 | -59.7 | 179 | -163.7 | 174.3 | 8 | 105.7 | E944 P945 S949 | E944-R947 IonicContact OE1-CZ 2.66Å; E944-R947 IonicContact OE1-NE 2.84Å; E944-R947 IonicContact OE1-NH2 1.98Å; E944-R947 PolarHBondContact OE1-NH2 2.86Å; P945-R947 PolarHBondContact O-N 3.49Å; R947-S949 PolarHBondContact O-N 3.46Å; R947-S949 VanDerWaalsContact O-N 3.09Å |
| 948 | P | 45.7 | Very low | 48.3 | Very low | 87 Ų | 87 | 111.3 Ų | 111.3 | 57% | 0.565 | 59% | 0.588 | S | S | * | * | P | Polyproline II helix | trans | -52.6 | 126.1 | -178.7 | 22.6 | -33.2 | 0 | 0 | 0 | 106.9 | E946 D950 L953 | E946-P948 VanDerWaalsContact O-N 3.13Å; P948-D950 PolarHBondContact O-N 3.48Å; P948-L953 HydrophobicContact CG-CD1 4.1Å; P948-L953 HydrophobicContact CG-CG 4.29Å |
| 949 | S | 51.9 | Low | 48.6 | Very low | 51 Ų | 51 | 109.5 Ų | 109.5 | 36% | 0.357 | 58% | 0.584 | S | S | . | * | P | Polyproline II helix | trans | -58 | 147.6 | -162.5 | 81.8 | 0 | 0 | 0 | 0 | 109.4 | R947 N951 D952 L953 | R947-S949 PolarHBondContact O-N 3.46Å; R947-S949 VanDerWaalsContact O-N 3.09Å; S949-N951 CarbonylContact O-C 3.6Å; S949-N951 PolarHBondContact O-N 3.32Å; S949-D952 WeakPolarHBondContact CB-OD2 3.33Å; S949-D952 PolarHBondContact N-OD2 3.23Å; S949-D952 WeakPolarHBondContact O-CA 3.46Å; S949-D952 WeakPolarHBondContact O-CB 3.5Å; S949-D952 PolarHBondContact O-N 3.03Å; S949-D952 PolarHBondContact OG-N 2.82Å; S949-D952 PolarHBondContact OG-OD2 2.62Å; S949-L953 PolarHBondContact O-N 3.48Å; S949-L953 VanDerWaalsContact O-N 3.1Å |
| 950 | D | 51.6 | Low | 49.3 | Very low | 102 Ų | 102 | 105.7 Ų | 105.7 | 55% | 0.545 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -56.7 | -24.3 | -175.6 | -154.3 | 52 | 0 | 0 | 0 | 111.3 | P948 K954 | P948-D950 PolarHBondContact O-N 3.48Å; D950-K954 VanDerWaalsContact O-CB 3.29Å; D950-K954 WeakPolarHBondContact O-CB 3.43Å; D950-K954 VanDerWaalsContact O-CD 3.26Å; D950-K954 WeakPolarHBondContact O-CD 3.32Å; D950-K954 WeakPolarHBondContact O-CG 3.4Å; D950-K954 PolarHBondContact O-N 2.84Å; D950-K954 WeakPolarHBondContact OD2-CE 3.24Å; D950-K954 IonicContact OD2-NZ 3.3Å; D950-K954 PolarHBondContact OD2-NZ 3.07Å |
| 951 | N | 53.4 | Low | 50.2 | Low | 121 Ų | 121 | 101.4 Ų | 101.4 | 65% | 0.647 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -74.7 | -38 | 171.7 | -61.4 | -34.6 | 0 | 0 | 0 | 114.3 | S949 K954 R955 | S949-N951 CarbonylContact O-C 3.6Å; S949-N951 PolarHBondContact O-N 3.32Å; N951-K954 PolarHBondContact O-N 3.2Å; N951-R955 WeakPolarHBondContact O-CB 3.32Å; N951-R955 PolarHBondContact O-N 2.85Å |
| 952 | D | 55 | Low | 51.1 | Low | 61 Ų | 61 | 99.7 Ų | 99.7 | 33% | 0.326 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -66 | -43.6 | 174.5 | -67.9 | -72.5 | 0 | 0 | 0 | 110.7 | S949 R955 I956 | S949-D952 WeakPolarHBondContact CB-OD2 3.33Å; S949-D952 PolarHBondContact N-OD2 3.23Å; S949-D952 WeakPolarHBondContact O-CA 3.46Å; S949-D952 WeakPolarHBondContact O-CB 3.5Å; S949-D952 PolarHBondContact O-N 3.03Å; S949-D952 PolarHBondContact OG-N 2.82Å; S949-D952 PolarHBondContact OG-OD2 2.62Å; D952-R955 PolarHBondContact O-N 2.71Å; D952-I956 WeakPolarHBondContact O-CG1 3.46Å; D952-I956 PolarHBondContact O-N 3.28Å |
| 953 | L | 55.3 | Low | 52.6 | Low | 81 Ų | 81 | 97.6 Ų | 97.6 | 42% | 0.424 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.3 | -46.5 | 173.8 | -85.8 | 168 | 0 | 0 | 0 | 111.6 | P948 S949 R955 I956 L957 | P948-L953 HydrophobicContact CG-CD1 4.1Å; P948-L953 HydrophobicContact CG-CG 4.29Å; S949-L953 PolarHBondContact O-N 3.48Å; S949-L953 VanDerWaalsContact O-N 3.1Å; L953-R955 VanDerWaalsContact C-N 3.31Å; L953-R955 PolarHBondContact O-N 2.88Å; L953-I956 PolarHBondContact O-N 3.35Å; L953-L957 WeakPolarHBondContact O-CB 3.33Å; L953-L957 WeakPolarHBondContact O-CG 3.33Å; L953-L957 PolarHBondContact O-N 2.69Å |
| 954 | K | 54.2 | Low | 53 | Low | 112 Ų | 112 | 101.5 Ų | 101.5 | 49% | 0.487 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -59.9 | -38.8 | 174.5 | -79 | 165 | -179.6 | 159.5 | 0 | 112.6 | D950 N951 L957 T958 | D950-K954 VanDerWaalsContact O-CB 3.29Å; D950-K954 WeakPolarHBondContact O-CB 3.43Å; D950-K954 VanDerWaalsContact O-CD 3.26Å; D950-K954 WeakPolarHBondContact O-CD 3.32Å; D950-K954 WeakPolarHBondContact O-CG 3.4Å; D950-K954 PolarHBondContact O-N 2.84Å; D950-K954 WeakPolarHBondContact OD2-CE 3.24Å; D950-K954 IonicContact OD2-NZ 3.3Å; D950-K954 PolarHBondContact OD2-NZ 3.07Å; N951-K954 PolarHBondContact O-N 3.2Å; K954-L957 PolarHBondContact O-N 2.93Å; K954-T958 WeakPolarHBondContact O-CB 3.4Å; K954-T958 PolarHBondContact O-N 2.69Å; K954-T958 PolarHBondContact O-OG1 2.67Å |
| 955 | R | 62 | Low | 54.4 | Low | 129 Ų | 129 | 97.3 Ų | 97.3 | 49% | 0.487 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -66 | -50.5 | 177.5 | -156.3 | -173.9 | 92.1 | -166.9 | 11.1 | 111.1 | N951 D952 L953 L957 T958 D959 | N951-R955 WeakPolarHBondContact O-CB 3.32Å; N951-R955 PolarHBondContact O-N 2.85Å; D952-R955 PolarHBondContact O-N 2.71Å; L953-R955 VanDerWaalsContact C-N 3.31Å; L953-R955 PolarHBondContact O-N 2.88Å; R955-L957 VanDerWaalsContact C-N 3.28Å; R955-L957 PolarHBondContact O-N 3.22Å; R955-T958 WeakPolarHBondContact O-CB 3.34Å; R955-T958 PolarHBondContact O-N 3.33Å; R955-D959 IonicContact NE-OD2 3.58Å; R955-D959 WeakPolarHBondContact O-CB 3.27Å; R955-D959 PolarHBondContact O-N 3.07Å |
| 956 | I | 59.8 | Low | 55 | Low | 51 Ų | 51 | 97 Ų | 97 | 26% | 0.262 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -59.4 | -39.5 | 177.6 | -67.1 | 165.4 | 0 | 0 | 0 | 111.2 | D952 L953 L960 L976 | D952-I956 WeakPolarHBondContact O-CG1 3.46Å; D952-I956 PolarHBondContact O-N 3.28Å; L953-I956 PolarHBondContact O-N 3.35Å; I956-L960 HydrophobicContact CG2-CD1 3.96Å; I956-L960 HydrophobicContact CG2-CG 4.49Å; I956-L960 WeakPolarHBondContact O-CB 3.39Å; I956-L960 VanDerWaalsContact O-CG 3.23Å; I956-L960 WeakPolarHBondContact O-CG 3.14Å; I956-L960 PolarHBondContact O-N 3.26Å; I956-L976 HydrophobicContact CG2-CD1 4.09Å; I956-L976 HydrophobicContact CG2-CD2 3.94Å |
| 957 | L | 55.5 | Low | 55.7 | Low | 112 Ų | 112 | 93.1 Ų | 93.1 | 59% | 0.586 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -66.4 | -37.5 | 174.7 | -75.8 | 166 | 0 | 0 | 0 | 112.8 | L953 K954 R955 A961 | L953-L957 WeakPolarHBondContact O-CB 3.33Å; L953-L957 WeakPolarHBondContact O-CG 3.33Å; L953-L957 PolarHBondContact O-N 2.69Å; K954-L957 PolarHBondContact O-N 2.93Å; R955-L957 VanDerWaalsContact C-N 3.28Å; R955-L957 PolarHBondContact O-N 3.22Å; L957-A961 VanDerWaalsContact O-CB 3.24Å; L957-A961 WeakPolarHBondContact O-CB 3.27Å; L957-A961 PolarHBondContact O-N 3.37Å |
| 958 | T | 64 | Low | 56.7 | Low | 94 Ų | 94 | 85.6 Ų | 85.6 | 58% | 0.577 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -68 | -45.2 | 174.6 | -55.7 | 0 | 0 | 0 | 0 | 111.5 | K954 R955 L960 A961 A962 | K954-T958 WeakPolarHBondContact O-CB 3.4Å; K954-T958 PolarHBondContact O-N 2.69Å; K954-T958 PolarHBondContact O-OG1 2.67Å; R955-T958 WeakPolarHBondContact O-CB 3.34Å; R955-T958 PolarHBondContact O-N 3.33Å; T958-L960 VanDerWaalsContact C-N 3.29Å; T958-L960 PolarHBondContact O-N 3.46Å; T958-A961 PolarHBondContact O-N 3.12Å; T958-A962 PolarHBondContact O-N 2.87Å |
| 959 | D | 59.5 | Low | 57.3 | Low | 69 Ų | 69 | 84.8 Ų | 84.8 | 37% | 0.369 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -61.3 | -38.1 | 177.9 | -65.1 | -23.5 | 0 | 0 | 0 | 110.8 | R955 | R955-D959 IonicContact NE-OD2 3.58Å; R955-D959 WeakPolarHBondContact O-CB 3.27Å; R955-D959 PolarHBondContact O-N 3.07Å |
| 960 | L | 56.9 | Low | 57.7 | Low | 42 Ų | 42 | 86.9 Ų | 86.9 | 22% | 0.22 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -71.9 | -40.2 | 173.4 | -74 | 169.6 | 0 | 0 | 0 | 112.9 | I956 T958 A962 L963 A972 | I956-L960 HydrophobicContact CG2-CD1 3.96Å; I956-L960 HydrophobicContact CG2-CG 4.49Å; I956-L960 WeakPolarHBondContact O-CB 3.39Å; I956-L960 VanDerWaalsContact O-CG 3.23Å; I956-L960 WeakPolarHBondContact O-CG 3.14Å; I956-L960 PolarHBondContact O-N 3.26Å; T958-L960 VanDerWaalsContact C-N 3.29Å; T958-L960 PolarHBondContact O-N 3.46Å; L960-A962 PolarHBondContact O-N 3.03Å; L960-L963 HydrophobicContact CD2-CD1 4.2Å; L960-L963 WeakPolarHBondContact O-CB 3.43Å; L960-L963 PolarHBondContact O-N 3.26Å; L960-L963 VanDerWaalsContact O-N 3.12Å; L960-A972 HydrophobicContact CD2-CB 3.45Å; L960-A972 VanDerWaalsContact CD2-CB 3.45Å |
| 961 | A | 55.6 | Low | 57.8 | Low | 86 Ų | 86 | 89.6 Ų | 89.6 | 71% | 0.711 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -67 | -23.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | L957 T958 L963 | L957-A961 VanDerWaalsContact O-CB 3.24Å; L957-A961 WeakPolarHBondContact O-CB 3.27Å; L957-A961 PolarHBondContact O-N 3.37Å; T958-A961 PolarHBondContact O-N 3.12Å; A961-L963 PolarHBondContact O-N 3.09Å |
| 962 | A | 57.1 | Low | 58.1 | Low | 74 Ų | 74 | 85.2 Ų | 85.2 | 61% | 0.612 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71 | -14.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | T958 L960 Q964 | T958-A962 PolarHBondContact O-N 2.87Å; L960-A962 PolarHBondContact O-N 3.03Å; A962-Q964 PolarHBondContact O-N 3.5Å |
| 963 | L | 63.8 | Low | 58.1 | Low | 37 Ų | 37 | 84 Ų | 84 | 19% | 0.194 | 46% | 0.459 | C | S | . | . | trans | -84.2 | 92.2 | -176.7 | -60.1 | 176.9 | 0 | 0 | 0 | 111.8 | L960 A961 S965 I969 A972 | L960-L963 HydrophobicContact CD2-CD1 4.2Å; L960-L963 WeakPolarHBondContact O-CB 3.43Å; L960-L963 PolarHBondContact O-N 3.26Å; L960-L963 VanDerWaalsContact O-N 3.12Å; A961-L963 PolarHBondContact O-N 3.09Å; L963-S965 PolarHBondContact O-N 3.04Å; L963-I969 HydrophobicContact CB-CG1 3.79Å; L963-I969 HydrophobicContact CD1-CG1 4.47Å; L963-I969 WeakPolarHBondContact O-CD1 3.39Å; L963-A972 HydrophobicContact CD1-CB 3.81Å | ||
| 964 | Q | 52.1 | Low | 58.2 | Low | 203 Ų | 203 | 84.8 Ų | 84.8 | 95% | 0.949 | 46% | 0.463 | S | S | * | . | trans | -68.2 | 22.6 | 179 | -60 | -175.5 | -11.3 | 0 | 0 | 115.3 | A962 | A962-Q964 PolarHBondContact O-N 3.5Š| ||
| 965 | S | 63.2 | Low | 58.1 | Low | 46 Ų | 46 | 84 Ų | 84 | 32% | 0.322 | 46% | 0.464 | S | S | . | . | trans | -140.5 | 126.1 | 178.9 | -176.7 | 0 | 0 | 0 | 0 | 111.5 | L963 N967 S968 I969 | L963-S965 PolarHBondContact O-N 3.04Å; S965-N967 PolarHBondContact O-N 2.89Å; S965-S968 WeakPolarHBondContact O-CB 3.34Å; S965-S968 PolarHBondContact O-N 3.48Å; S965-I969 PolarHBondContact O-N 3.25Å; S965-I969 VanDerWaalsContact O-N 3.09Å | ||
| 966 | P | 53.3 | Low | 57.8 | Low | 93 Ų | 93 | 80.4 Ų | 80.4 | 60% | 0.604 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -53.9 | -39.3 | 175.9 | -27.2 | 35.1 | 0 | 0 | 0 | 113 | S968 I969 I970 | P966-S968 PolarHBondContact O-N 2.93Å; P966-I969 PolarHBondContact O-N 2.87Å; P966-I970 WeakPolarHBondContact O-CB 3.49Å; P966-I970 VanDerWaalsContact O-CG1 3.27Å; P966-I970 WeakPolarHBondContact O-CG1 3.3Å; P966-I970 PolarHBondContact O-N 3.36Å |
| 967 | N | 56.6 | Low | 57.5 | Low | 107 Ų | 107 | 80.7 Ų | 80.7 | 57% | 0.572 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -70.6 | -16.6 | 179.3 | -69.4 | -23 | 0 | 0 | 0 | 113.5 | S965 R971 | S965-N967 PolarHBondContact O-N 2.89Å; N967-R971 WeakPolarHBondContact O-CG 3.48Å; N967-R971 PolarHBondContact O-NE 3.49Å; N967-R971 PolarHBondContact O-NH2 3.26Å |
| 968 | S | 63.9 | Low | 57.1 | Low | 39 Ų | 39 | 82.4 Ų | 82.4 | 27% | 0.273 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -87.3 | -43.4 | 170.8 | -62.9 | 0 | 0 | 0 | 0 | 111.1 | S965 P966 I970 R971 A972 | S965-S968 WeakPolarHBondContact O-CB 3.34Å; S965-S968 PolarHBondContact O-N 3.48Å; P966-S968 PolarHBondContact O-N 2.93Å; S968-I970 PolarHBondContact O-N 3.3Å; S968-R971 PolarHBondContact O-N 3.37Å; S968-A972 WeakPolarHBondContact O-CB 3.43Å; S968-A972 PolarHBondContact O-N 2.79Å |
| 969 | I | 59.6 | Low | 56.3 | Low | 71 Ų | 71 | 80.1 Ų | 80.1 | 36% | 0.364 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -57.3 | -48.5 | 174.6 | -61.5 | 168.3 | 0 | 0 | 0 | 110.6 | L963 S965 P966 R971 A972 A973 | L963-I969 HydrophobicContact CB-CG1 3.79Å; L963-I969 HydrophobicContact CD1-CG1 4.47Å; L963-I969 WeakPolarHBondContact O-CD1 3.39Å; S965-I969 PolarHBondContact O-N 3.25Å; S965-I969 VanDerWaalsContact O-N 3.09Å; P966-I969 PolarHBondContact O-N 2.87Å; I969-R971 VanDerWaalsContact C-N 3.33Å; I969-R971 PolarHBondContact O-N 3.02Å; I969-A972 PolarHBondContact O-N 3.43Å; I969-A973 WeakPolarHBondContact O-CB 3.12Å; I969-A973 PolarHBondContact O-N 3.05Å |
| 970 | I | 58.6 | Low | 55.7 | Low | 94 Ų | 94 | 82.1 Ų | 82.1 | 48% | 0.482 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -62.4 | -38.2 | 179.7 | -68.7 | 165.7 | 0 | 0 | 0 | 111.6 | P966 S968 N974 | P966-I970 WeakPolarHBondContact O-CB 3.49Å; P966-I970 VanDerWaalsContact O-CG1 3.27Å; P966-I970 WeakPolarHBondContact O-CG1 3.3Å; P966-I970 PolarHBondContact O-N 3.36Å; S968-I970 PolarHBondContact O-N 3.3Å; I970-N974 WeakPolarHBondContact CG2-ND2 3.35Å; I970-N974 WeakPolarHBondContact O-CB 3.34Å; I970-N974 PolarHBondContact O-N 2.65Å; I970-N974 PolarHBondContact O-ND2 2.67Å |
| 971 | R | 55.5 | Low | 55.1 | Low | 159 Ų | 159 | 84.9 Ų | 84.9 | 60% | 0.6 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -71.2 | -40.5 | 176.5 | -81.2 | -177.3 | -73.8 | -174.4 | 0.6 | 112.2 | N967 S968 I969 N974 N975 | N967-R971 WeakPolarHBondContact O-CG 3.48Å; N967-R971 PolarHBondContact O-NE 3.49Å; N967-R971 PolarHBondContact O-NH2 3.26Å; S968-R971 PolarHBondContact O-N 3.37Å; I969-R971 VanDerWaalsContact C-N 3.33Å; I969-R971 PolarHBondContact O-N 3.02Å; R971-N974 PolarHBondContact O-N 3.32Å; R971-N975 WeakPolarHBondContact O-CB 3.23Å; R971-N975 PolarHBondContact O-N 2.82Å; R971-N975 PolarHBondContact O-ND2 3.42Å |
| 972 | A | 58.3 | Low | 54.7 | Low | 30 Ų | 30 | 84.4 Ų | 84.4 | 25% | 0.248 | 48% | 0.483 | C | S | . | . | H | α-helix | trans | -63.2 | -45.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | L960 L963 S968 I969 N975 L976 | L960-A972 HydrophobicContact CD2-CB 3.45Å; L960-A972 VanDerWaalsContact CD2-CB 3.45Å; L963-A972 HydrophobicContact CD1-CB 3.81Å; S968-A972 WeakPolarHBondContact O-CB 3.43Å; S968-A972 PolarHBondContact O-N 2.79Å; I969-A972 PolarHBondContact O-N 3.43Å; A972-N975 PolarHBondContact O-N 3.44Å; A972-L976 PolarHBondContact O-N 3.5Å |
| 973 | A | 56.5 | Low | 54.1 | Low | 36 Ų | 36 | 84.4 Ų | 84.4 | 30% | 0.298 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.8 | -44.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | I969 N975 L976 A977 | I969-A973 WeakPolarHBondContact O-CB 3.12Å; I969-A973 PolarHBondContact O-N 3.05Å; A973-N975 PolarHBondContact O-N 2.85Å; A973-L976 WeakPolarHBondContact O-CB 3.48Å; A973-L976 PolarHBondContact O-N 3Å; A973-A977 PolarHBondContact O-N 3.17Å |
| 974 | N | 57 | Low | 53.4 | Low | 97 Ų | 97 | 92.5 Ų | 92.5 | 52% | 0.519 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.5 | -35.6 | 176.7 | -80.5 | -50.8 | 0 | 0 | 0 | 112.9 | I970 R971 K978 | I970-N974 WeakPolarHBondContact CG2-ND2 3.35Å; I970-N974 WeakPolarHBondContact O-CB 3.34Å; I970-N974 PolarHBondContact O-N 2.65Å; I970-N974 PolarHBondContact O-ND2 2.67Å; R971-N974 PolarHBondContact O-N 3.32Å; N974-K978 PolarHBondContact O-N 3.37Å |
| 975 | N | 50.7 | Low | 52.8 | Low | 94 Ų | 94 | 92 Ų | 92 | 50% | 0.503 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -67.4 | -42.2 | 172.3 | -76.7 | -19.9 | 0 | 0 | 0 | 111.3 | R971 A972 A973 A977 K978 M979 | R971-N975 WeakPolarHBondContact O-CB 3.23Å; R971-N975 PolarHBondContact O-N 2.82Å; R971-N975 PolarHBondContact O-ND2 3.42Å; A972-N975 PolarHBondContact O-N 3.44Å; A973-N975 PolarHBondContact O-N 2.85Å; N975-A977 VanDerWaalsContact C-N 3.34Å; N975-A977 PolarHBondContact O-N 2.82Å; N975-K978 PolarHBondContact O-N 3.38Å; N975-M979 VanDerWaalsContact O-CG 3.3Å; N975-M979 WeakPolarHBondContact O-CG 3.42Å; N975-M979 PolarHBondContact O-N 2.78Å |
| 976 | L | 57 | Low | 51.8 | Low | 54 Ų | 54 | 93 Ų | 93 | 28% | 0.283 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -58.3 | -46.1 | 174.8 | -141.2 | 88.4 | 0 | 0 | 0 | 111.2 | I956 A972 A973 K978 M979 C980 L986 | I956-L976 HydrophobicContact CG2-CD1 4.09Å; I956-L976 HydrophobicContact CG2-CD2 3.94Å; A972-L976 PolarHBondContact O-N 3.5Å; A973-L976 WeakPolarHBondContact O-CB 3.48Å; A973-L976 PolarHBondContact O-N 3Å; L976-K978 PolarHBondContact O-N 3.19Å; L976-M979 PolarHBondContact O-N 3.24Å; L976-C980 PolarHBondContact O-N 2.73Å; L976-C980 PolarHBondContact O-SG 2.82Å; L976-C980 VanDerWaalsContact O-SG 3.36Å; L976-L986 HydrophobicContact CD1-CD2 4.17Å |
| 977 | A | 52.5 | Low | 51 | Low | 58 Ų | 58 | 95.4 Ų | 95.4 | 48% | 0.479 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.1 | -42.2 | 177 | 0 | 0 | 0 | 0 | 0 | 112.9 | A973 N975 M979 S981 | A973-A977 PolarHBondContact O-N 3.17Å; N975-A977 VanDerWaalsContact C-N 3.34Å; N975-A977 PolarHBondContact O-N 2.82Å; A977-M979 PolarHBondContact O-N 3.35Å; A977-S981 PolarHBondContact O-N 3.37Å; A977-S981 PolarHBondContact O-OG 3.41Å |
| 978 | K | 48.5 | Very low | 50.5 | Low | 148 Ų | 148 | 94.6 Ų | 94.6 | 64% | 0.643 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -62.1 | -28.4 | 171.1 | -91 | -175 | 171.1 | -178.8 | 0 | 113.2 | N974 N975 L976 S981 S982 | N974-K978 PolarHBondContact O-N 3.37Å; N975-K978 PolarHBondContact O-N 3.38Å; L976-K978 PolarHBondContact O-N 3.19Å; K978-S981 WeakPolarHBondContact CA-OG 3.49Å; K978-S981 PolarHBondContact O-OG 3.44Å; K978-S981 VanDerWaalsContact O-OG 3.13Å; K978-S982 WeakPolarHBondContact O-CB 3.41Å; K978-S982 PolarHBondContact O-N 3.22Å; K978-S982 PolarHBondContact O-OG 3.3Å |
| 979 | M | 47.1 | Very low | 49.1 | Very low | 45 Ų | 45 | 101 Ų | 101 | 22% | 0.222 | 55% | 0.549 | C | S | . | . | H | α-helix | trans | -84.3 | -37.2 | 179.4 | -71.2 | 178.6 | 65.7 | 0 | 0 | 112.9 | N975 L976 A977 S981 S982 G983 R984 K985 L986 | N975-M979 VanDerWaalsContact O-CG 3.3Å; N975-M979 WeakPolarHBondContact O-CG 3.42Å; N975-M979 PolarHBondContact O-N 2.78Å; L976-M979 PolarHBondContact O-N 3.24Å; A977-M979 PolarHBondContact O-N 3.35Å; M979-S981 PolarHBondContact O-N 3.16Å; M979-S982 PolarHBondContact O-N 2.95Å; M979-G983 PolarHBondContact O-N 3.01Å; M979-R984 WeakPolarHBondContact CE-O 3.4Å; M979-K985 VanDerWaalsContact CE-C 3.46Å; M979-K985 WeakPolarHBondContact CE-O 3.46Å; M979-L986 HydrophobicContact CE-CB 3.75Å; M979-L986 HydrophobicContact CE-CD1 3.93Å; M979-L986 HydrophobicContact CE-CG 4.46Å; M979-L986 HydrophobicContact SD-CB 4.39Å; M979-L986 HydrophobicContact SD-CD1 3.51Å; M979-L986 VanDerWaalsContact SD-CD1 3.51Å |
| 980 | C | 47 | Very low | 48 | Very low | 112 Ų | 112 | 103.1 Ų | 103.1 | 76% | 0.757 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -58.2 | -26.8 | 168.5 | -65.6 | 0 | 0 | 0 | 0 | 112.5 | L976 | L976-C980 PolarHBondContact O-N 2.73Å; L976-C980 PolarHBondContact O-SG 2.82Å; L976-C980 VanDerWaalsContact O-SG 3.36Å |
| 981 | S | 43.6 | Very low | 46.8 | Very low | 99 Ų | 99 | 107.7 Ų | 107.7 | 69% | 0.692 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.9 | 0.9 | 175.6 | 45.6 | 0 | 0 | 0 | 0 | 114.8 | A977 K978 M979 | A977-S981 PolarHBondContact O-N 3.37Å; A977-S981 PolarHBondContact O-OG 3.41Å; K978-S981 WeakPolarHBondContact CA-OG 3.49Å; K978-S981 PolarHBondContact O-OG 3.44Å; K978-S981 VanDerWaalsContact O-OG 3.13Å; M979-S981 PolarHBondContact O-N 3.16Å |
| 982 | S | 46.3 | Very low | 45.7 | Very low | 76 Ų | 76 | 107.3 Ų | 107.3 | 53% | 0.531 | 60% | 0.599 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -137 | -0.7 | -179.4 | 61.3 | 0 | 0 | 0 | 0 | 116.3 | K978 M979 R984 | K978-S982 WeakPolarHBondContact O-CB 3.41Å; K978-S982 PolarHBondContact O-N 3.22Å; K978-S982 PolarHBondContact O-OG 3.3Å; M979-S982 PolarHBondContact O-N 2.95Å; S982-R984 PolarHBondContact O-N 2.9Å |
| 983 | G | 46.1 | Very low | 44.3 | Very low | 74 Ų | 74 | 110 Ų | 110 | 76% | 0.763 | 62% | 0.621 | S | S | * | * | trans | 72.6 | 29.2 | 159.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | M979 | M979-G983 PolarHBondContact O-N 3.01Š| ||
| 984 | R | 48.4 | Very low | 43.1 | Very low | 208 Ų | 208 | 117.5 Ų | 117.5 | 79% | 0.785 | 65% | 0.65 | S | S | * | * | trans | -118 | 157.1 | 175.3 | -59.1 | -170 | -170.4 | -171.8 | 4.6 | 111.9 | M979 S982 | M979-R984 WeakPolarHBondContact CE-O 3.4Å; S982-R984 PolarHBondContact O-N 2.9Å | ||
| 985 | K | 39.9 | Very low | 41.7 | Very low | 191 Ų | 191 | 118.5 Ų | 118.5 | 83% | 0.83 | 67% | 0.665 | S | S | * | * | trans | -90.1 | 152.4 | -179.4 | -156.6 | 164.1 | -171.8 | 168.4 | 0 | 111.7 | M979 | M979-K985 VanDerWaalsContact CE-C 3.46Å; M979-K985 WeakPolarHBondContact CE-O 3.46Å | ||
| 986 | L | 41.6 | Very low | 40.7 | Very low | 69 Ų | 69 | 122.5 Ų | 122.5 | 36% | 0.361 | 68% | 0.68 | S | S | . | * | trans | -98.6 | 143.7 | -171.6 | -172.7 | 75.3 | 0 | 0 | 0 | 112 | L976 M979 V988 | L976-L986 HydrophobicContact CD1-CD2 4.17Å; M979-L986 HydrophobicContact CE-CB 3.75Å; M979-L986 HydrophobicContact CE-CD1 3.93Å; M979-L986 HydrophobicContact CE-CG 4.46Å; M979-L986 HydrophobicContact SD-CB 4.39Å; M979-L986 HydrophobicContact SD-CD1 3.51Å; M979-L986 VanDerWaalsContact SD-CD1 3.51Å; L986-V988 HydrophobicContact CD1-CG2 4.13Å; L986-V988 HydrophobicContact CD2-CG2 3.46Å; L986-V988 VanDerWaalsContact CD2-CG2 3.46Å; L986-V988 HydrophobicContact CG-CG2 3.49Å; L986-V988 VanDerWaalsContact CG-CG2 3.49Å | ||
| 987 | D | 36.8 | Very low | 39.3 | Very low | 142 Ų | 142 | 130.8 Ų | 130.8 | 76% | 0.759 | 71% | 0.708 | S | S | * | * | trans | -132.6 | 136.2 | 168.1 | -165.1 | 1.4 | 0 | 0 | 0 | 109.5 | ||||
| 988 | V | 46.4 | Very low | 38.9 | Very low | 91 Ų | 91 | 133 Ų | 133 | 55% | 0.552 | 72% | 0.717 | S | S | * | * | trans | -144.1 | 70.5 | -163.9 | -164.1 | 0 | 0 | 0 | 0 | 112.2 | L986 | L986-V988 HydrophobicContact CD1-CG2 4.13Å; L986-V988 HydrophobicContact CD2-CG2 3.46Å; L986-V988 VanDerWaalsContact CD2-CG2 3.46Å; L986-V988 HydrophobicContact CG-CG2 3.49Å; L986-V988 VanDerWaalsContact CG-CG2 3.49Å | ||
| 989 | M | 33.7 | Very low | 37.8 | Very low | 173 Ų | 173 | 132.8 Ų | 132.8 | 85% | 0.852 | 72% | 0.723 | S | S | * | * | trans | -131.6 | 1.9 | 170 | -71 | -151.2 | 73.1 | 0 | 0 | 115.3 | ||||
| 990 | S | 35.7 | Very low | 37 | Very low | 116 Ų | 116 | 136.9 Ų | 136.9 | 81% | 0.811 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -109.4 | 8.1 | -161.1 | -46 | 0 | 0 | 0 | 0 | 117 | ||
| 991 | Q | 34.1 | Very low | 36.3 | Very low | 189 Ų | 189 | 140.2 Ų | 140.2 | 88% | 0.883 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -140 | 25.2 | -173.4 | -69.9 | -163.9 | -14.2 | 0 | 0 | 116.8 | ||
| 992 | N | 32.9 | Very low | 35.7 | Very low | 152 Ų | 152 | 143.5 Ų | 143.5 | 81% | 0.813 | 75% | 0.754 | S | S | * | * | trans | -111.4 | 78.1 | 172.1 | -95.4 | -9.9 | 0 | 0 | 0 | 111.8 | ||||
| 993 | A | 29.3 | Very low | 35 | Very low | 86 Ų | 86 | 144.7 Ų | 144.7 | 71% | 0.711 | 77% | 0.769 | S | S | * | * | trans | -156.7 | 70.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 994 | Q | 29.9 | Very low | 34.3 | Very low | 194 Ų | 194 | 148.8 Ų | 148.8 | 91% | 0.907 | 77% | 0.766 | S | S | * | * | trans | -173.3 | 152.2 | 144.3 | -102.7 | 141.5 | 17.1 | 0 | 0 | 115.5 | ||||
| 995 | S | 28.9 | Very low | 33.7 | Very low | 118 Ų | 118 | 142.7 Ų | 142.7 | 83% | 0.825 | 75% | 0.753 | S | S | * | * | trans | 59.2 | 106.8 | 161.2 | 55.8 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 996 | H | 28.7 | Very low | 33.6 | Very low | 178 Ų | 178 | 138.7 Ų | 138.7 | 82% | 0.824 | 75% | 0.747 | S | S | * | * | trans | -48.2 | 149.7 | 167 | -59.8 | -55.5 | 0 | 0 | 0 | 119.8 | ||||
| 997 | R | 27.9 | Very low | 33.3 | Very low | 227 Ų | 227 | 141 Ų | 141 | 86% | 0.857 | 76% | 0.758 | S | S | * | * | 26.1 | 159.8 | 121.9 | -60.8 | -177.4 | 171.2 | -174.5 | -1.6 | 121 | |||||
| 998 | P | 43.7 | Very low | 33.3 | Very low | 106 Ų | 106 | 140.8 Ų | 140.8 | 69% | 0.688 | 75% | 0.751 | S | S | * | * | cis | -140.4 | 175.5 | -41 | 40.4 | -24.3 | 0 | 0 | 0 | 113.1 | ||||
| 999 | N | 26.2 | Very low | 33.1 | Very low | 143 Ų | 143 | 142.4 Ų | 142.4 | 77% | 0.765 | 76% | 0.756 | S | S | * | * | trans | -176.2 | 138.4 | 132.7 | -99 | -18.7 | 0 | 0 | 0 | 113.5 | ||||
| 1000 | N | 29.2 | Very low | 33.3 | Very low | 131 Ų | 131 | 141.7 Ų | 141.7 | 70% | 0.701 | 74% | 0.744 | S | S | * | * | trans | 38.5 | 128.1 | 151.3 | -60 | -4.1 | 0 | 0 | 0 | 122.4 | ||||
| 1001 | H | 32.5 | Very low | 33.4 | Very low | 181 Ų | 181 | 142.2 Ų | 142.2 | 84% | 0.838 | 73% | 0.732 | S | S | * | * | trans | 29.9 | 132.6 | 145.8 | -57.7 | -91.1 | 0 | 0 | 0 | 119.7 | ||||
| 1002 | E | 31.6 | Very low | 33.7 | Very low | 168 Ų | 168 | 138.8 Ų | 138.8 | 79% | 0.785 | 72% | 0.72 | S | S | * | * | cis | -130.8 | 166.7 | 28.6 | -61.9 | 177.7 | 125 | 0 | 0 | 113.9 | ||||
| 1003 | A | 31.6 | Very low | 34.1 | Very low | 102 Ų | 102 | 137.8 Ų | 137.8 | 84% | 0.843 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -102.6 | 116.8 | 178 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 1004 | F | 32.3 | Very low | 34.5 | Very low | 159 Ų | 159 | 137.6 Ų | 137.6 | 70% | 0.697 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -85.3 | 141.8 | 173.2 | -79.3 | -88.5 | 0 | 0 | 0 | 112 | ||
| 1005 | P | 34 | Very low | 35 | Very low | 80 Ų | 80 | 131.2 Ų | 131.2 | 52% | 0.519 | 67% | 0.67 | S | S | . | * | P | Polyproline II helix | trans | -65.5 | 146.9 | 179 | -21.7 | 33.4 | 0 | 0 | 0 | 113.2 | I1007 F1008 | P1005-I1007 PolarHBondContact O-N 2.94Å; P1005-F1008 PolarHBondContact O-N 2.74Å; P1005-F1008 VanDerWaalsContact O-N 3.07Å |
| 1006 | P | 37.7 | Very low | 35.6 | Very low | 108 Ų | 108 | 130 Ų | 130 | 70% | 0.701 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -61 | -20.7 | -176.2 | 23.5 | -34.2 | 0 | 0 | 0 | 114.4 | F1008 I1009 Y1010 | P1006-F1008 VanDerWaalsContact C-N 3.26Å; P1006-F1008 PolarHBondContact O-N 3.5Å; P1006-I1009 PolarHBondContact O-N 3.04Å; P1006-Y1010 PolarHBondContact O-N 2.88Å |
| 1007 | I | 36.7 | Very low | 36.1 | Very low | 116 Ų | 116 | 125.4 Ų | 125.4 | 60% | 0.595 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -57.3 | -37.2 | 174.8 | -67.5 | 172 | 0 | 0 | 0 | 111.7 | P1005 I1009 Y1010 F1011 | P1005-I1007 PolarHBondContact O-N 2.94Å; I1007-I1009 PolarHBondContact O-N 3.17Å; I1007-Y1010 WeakPolarHBondContact O-CB 3.46Å; I1007-Y1010 PolarHBondContact O-N 2.81Å; I1007-F1011 HydrophobicContact CG2-CD2 3.85Å; I1007-F1011 HydrophobicContact CG2-CE2 4.08Å; I1007-F1011 PolarHBondContact O-N 3.13Å |
| 1008 | F | 36 | Very low | 36.8 | Very low | 139 Ų | 139 | 120.6 Ų | 120.6 | 61% | 0.61 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -69.8 | -34.9 | -175.4 | -138.4 | -89.6 | 0 | 0 | 0 | 112.4 | P1005 P1006 L1012 | P1005-F1008 PolarHBondContact O-N 2.74Å; P1005-F1008 VanDerWaalsContact O-N 3.07Å; P1006-F1008 VanDerWaalsContact C-N 3.26Å; P1006-F1008 PolarHBondContact O-N 3.5Å; F1008-L1012 PolarHBondContact O-N 3.42Å; F1008-L1012 VanDerWaalsContact O-N 3.12Å |
| 1009 | I | 41.6 | Very low | 36.6 | Very low | 125 Ų | 125 | 119.1 Ų | 119.1 | 64% | 0.641 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -68.9 | -40.4 | 174.4 | -60.7 | 177.4 | 0 | 0 | 0 | 110.1 | P1006 I1007 F1011 L1012 F1013 | P1006-I1009 PolarHBondContact O-N 3.04Å; I1007-I1009 PolarHBondContact O-N 3.17Å; I1009-F1011 PolarHBondContact O-N 3.08Å; I1009-L1012 PolarHBondContact O-N 3.38Å; I1009-F1013 WeakPolarHBondContact O-CB 3.19Å; I1009-F1013 PolarHBondContact O-N 3.06Å |
| 1010 | Y | 38.8 | Very low | 37.2 | Very low | 157 Ų | 157 | 116 Ų | 116 | 62% | 0.616 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -62.3 | -42.3 | 176.6 | -157 | -91.1 | 0 | 0 | 0 | 112 | P1006 I1007 F1013 M1014 | P1006-Y1010 PolarHBondContact O-N 2.88Å; I1007-Y1010 WeakPolarHBondContact O-CB 3.46Å; I1007-Y1010 PolarHBondContact O-N 2.81Å; Y1010-F1013 PolarHBondContact O-N 3.3Å; Y1010-M1014 HydrophobicContact CD1-CG 4.24Å; Y1010-M1014 HydrophobicContact CE1-CE 3.67Å; Y1010-M1014 HydrophobicContact CE1-CG 4.11Å; Y1010-M1014 PolarHBondContact O-N 2.99Å |
| 1011 | F | 38.8 | Very low | 37.6 | Very low | 127 Ų | 127 | 117.4 Ų | 117.4 | 56% | 0.557 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -63 | -42.7 | 174.3 | -99.2 | -86.6 | 0 | 0 | 0 | 112.9 | I1007 I1009 F1013 M1014 S1015 | I1007-F1011 HydrophobicContact CG2-CD2 3.85Å; I1007-F1011 HydrophobicContact CG2-CE2 4.08Å; I1007-F1011 PolarHBondContact O-N 3.13Å; I1009-F1011 PolarHBondContact O-N 3.08Å; F1011-F1013 VanDerWaalsContact C-N 3.29Å; F1011-F1013 PolarHBondContact O-N 2.95Å; F1011-M1014 PolarHBondContact O-N 2.92Å; F1011-S1015 VanDerWaalsContact O-CB 3.28Å; F1011-S1015 WeakPolarHBondContact O-CB 3.36Å; F1011-S1015 PolarHBondContact O-N 3.46Å; F1011-S1015 PolarHBondContact O-OG 2.93Å |
| 1012 | L | 39.2 | Very low | 37.9 | Very low | 118 Ų | 118 | 112.3 Ų | 112.3 | 62% | 0.618 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -63.6 | -37 | 177.6 | -136.9 | 79.6 | 0 | 0 | 0 | 112 | F1008 I1009 T1016 | F1008-L1012 PolarHBondContact O-N 3.42Å; F1008-L1012 VanDerWaalsContact O-N 3.12Å; I1009-L1012 PolarHBondContact O-N 3.38Å; L1012-T1016 WeakPolarHBondContact O-CG2 3.41Å; L1012-T1016 PolarHBondContact O-N 2.9Å; L1012-T1016 PolarHBondContact O-OG1 3.44Å |
| 1013 | F | 40.6 | Very low | 38.1 | Very low | 131 Ų | 131 | 111.4 Ų | 111.4 | 58% | 0.575 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -67.6 | -48.3 | 178.1 | -162.3 | -94.9 | 0 | 0 | 0 | 111.8 | I1009 Y1010 F1011 T1016 V1017 | I1009-F1013 WeakPolarHBondContact O-CB 3.19Å; I1009-F1013 PolarHBondContact O-N 3.06Å; Y1010-F1013 PolarHBondContact O-N 3.3Å; F1011-F1013 VanDerWaalsContact C-N 3.29Å; F1011-F1013 PolarHBondContact O-N 2.95Å; F1013-T1016 PolarHBondContact O-OG1 3.41Å; F1013-T1016 VanDerWaalsContact O-OG1 3.14Å; F1013-V1017 WeakPolarHBondContact O-CG2 3.29Å; F1013-V1017 PolarHBondContact O-N 3.4Å |
| 1014 | M | 39.6 | Very low | 38.6 | Very low | 81 Ų | 81 | 110.2 Ų | 110.2 | 40% | 0.399 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -63.1 | -46.3 | 175.2 | -70 | -60.1 | -160.8 | 0 | 0 | 112.1 | Y1010 F1011 T1016 V1017 E1018 | Y1010-M1014 HydrophobicContact CD1-CG 4.24Å; Y1010-M1014 HydrophobicContact CE1-CE 3.67Å; Y1010-M1014 HydrophobicContact CE1-CG 4.11Å; Y1010-M1014 PolarHBondContact O-N 2.99Å; F1011-M1014 PolarHBondContact O-N 2.92Å; M1014-T1016 VanDerWaalsContact C-N 3.26Å; M1014-T1016 PolarHBondContact O-N 3.09Å; M1014-V1017 PolarHBondContact O-N 2.79Å; M1014-E1018 PolarHBondContact O-N 2.61Å |
| 1015 | S | 39.9 | Very low | 38.9 | Very low | 61 Ų | 61 | 108.4 Ų | 108.4 | 43% | 0.427 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -57.7 | -36.8 | -177.7 | -58.6 | 0 | 0 | 0 | 0 | 113.1 | F1011 V1019 | F1011-S1015 VanDerWaalsContact O-CB 3.28Å; F1011-S1015 WeakPolarHBondContact O-CB 3.36Å; F1011-S1015 PolarHBondContact O-N 3.46Å; F1011-S1015 PolarHBondContact O-OG 2.93Å; S1015-V1019 WeakPolarHBondContact O-CB 3.31Å; S1015-V1019 WeakPolarHBondContact O-CG2 3.12Å; S1015-V1019 PolarHBondContact O-N 3.44Å |
| 1016 | T | 40.6 | Very low | 39.1 | Very low | 93 Ų | 93 | 110.6 Ų | 110.6 | 57% | 0.571 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -79.9 | -32.9 | -179.2 | 47 | 0 | 0 | 0 | 0 | 112.8 | L1012 F1013 M1014 | L1012-T1016 WeakPolarHBondContact O-CG2 3.41Å; L1012-T1016 PolarHBondContact O-N 2.9Å; L1012-T1016 PolarHBondContact O-OG1 3.44Å; F1013-T1016 PolarHBondContact O-OG1 3.41Å; F1013-T1016 VanDerWaalsContact O-OG1 3.14Å; M1014-T1016 VanDerWaalsContact C-N 3.26Å; M1014-T1016 PolarHBondContact O-N 3.09Å |
| 1017 | V | 40.7 | Very low | 39.2 | Very low | 81 Ų | 81 | 108.1 Ų | 108.1 | 49% | 0.491 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -72.1 | -49.3 | 175.6 | 173.2 | 0 | 0 | 0 | 0 | 111.4 | F1013 M1014 S1020 Y1021 | F1013-V1017 WeakPolarHBondContact O-CG2 3.29Å; F1013-V1017 PolarHBondContact O-N 3.4Å; M1014-V1017 PolarHBondContact O-N 2.79Å; V1017-S1020 PolarHBondContact O-N 2.79Å; V1017-Y1021 PolarHBondContact O-N 3.3Å; V1017-Y1021 VanDerWaalsContact O-N 3.1Å |
| 1018 | E | 42.6 | Very low | 39.4 | Very low | 126 Ų | 126 | 111.3 Ų | 111.3 | 59% | 0.589 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -66.3 | -40.5 | -177.4 | -69.6 | -167.2 | 130.8 | 0 | 0 | 112.6 | M1014 S1020 Y1021 C1022 | M1014-E1018 PolarHBondContact O-N 2.61Å; E1018-S1020 PolarHBondContact O-N 3.29Å; E1018-Y1021 PolarHBondContact O-N 2.91Å; E1018-C1022 VanDerWaalsContact O-CB 3.25Å; E1018-C1022 WeakPolarHBondContact O-CB 3.43Å; E1018-C1022 PolarHBondContact O-N 2.88Å; E1018-C1022 PolarHBondContact O-SG 3.28Å |
| 1019 | V | 39.6 | Very low | 39.4 | Very low | 75 Ų | 75 | 110.2 Ų | 110.2 | 46% | 0.455 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -62.5 | -32.4 | 177.1 | 169.1 | 0 | 0 | 0 | 0 | 111.9 | S1015 K1023 | S1015-V1019 WeakPolarHBondContact O-CB 3.31Å; S1015-V1019 WeakPolarHBondContact O-CG2 3.12Å; S1015-V1019 PolarHBondContact O-N 3.44Å; V1019-K1023 HydrophobicContact CG1-CD 4.04Å; V1019-K1023 VanDerWaalsContact O-CB 3.3Å; V1019-K1023 WeakPolarHBondContact O-CB 3.24Å; V1019-K1023 WeakPolarHBondContact O-CG 3.37Å; V1019-K1023 PolarHBondContact O-N 3.1Å; V1019-K1023 VanDerWaalsContact O-N 3.09Å |
| 1020 | S | 37.1 | Very low | 39.2 | Very low | 77 Ų | 77 | 112.4 Ų | 112.4 | 54% | 0.538 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -71.8 | -45 | 175.6 | -166.7 | 0 | 0 | 0 | 0 | 112 | V1017 E1018 S1024 | V1017-S1020 PolarHBondContact O-N 2.79Å; E1018-S1020 PolarHBondContact O-N 3.29Å; S1020-S1024 PolarHBondContact O-N 2.9Å; S1020-S1024 PolarHBondContact O-OG 2.91Å |
| 1021 | Y | 38.4 | Very low | 39.3 | Very low | 161 Ų | 161 | 112.9 Ų | 112.9 | 63% | 0.631 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -66.2 | -46 | 178.7 | -163.4 | -100.6 | 0 | 0 | 0 | 111.8 | V1017 E1018 S1024 K1025 | V1017-Y1021 PolarHBondContact O-N 3.3Å; V1017-Y1021 VanDerWaalsContact O-N 3.1Å; E1018-Y1021 PolarHBondContact O-N 2.91Å; Y1021-S1024 PolarHBondContact O-N 3.39Å; Y1021-K1025 HydrophobicContact CE1-CD 4.35Å; Y1021-K1025 PolarHBondContact O-N 2.95Å |
| 1022 | C | 38.4 | Very low | 39.3 | Very low | 74 Ų | 74 | 109.9 Ų | 109.9 | 50% | 0.5 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -65.1 | -43 | 177.7 | -73.6 | 0 | 0 | 0 | 0 | 112.4 | E1018 S1024 K1025 L1026 | E1018-C1022 VanDerWaalsContact O-CB 3.25Å; E1018-C1022 WeakPolarHBondContact O-CB 3.43Å; E1018-C1022 PolarHBondContact O-N 2.88Å; E1018-C1022 PolarHBondContact O-SG 3.28Å; C1022-S1024 VanDerWaalsContact C-N 3.29Å; C1022-S1024 PolarHBondContact O-N 3.24Å; C1022-K1025 PolarHBondContact O-N 3.46Å; C1022-L1026 VanDerWaalsContact O-CB 3.32Å; C1022-L1026 WeakPolarHBondContact O-CB 3.24Å; C1022-L1026 PolarHBondContact O-N 2.98Å |
| 1023 | K | 37 | Very low | 39.1 | Very low | 148 Ų | 148 | 112.7 Ų | 112.7 | 64% | 0.643 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -57.9 | -42.1 | 174.2 | -81 | 174.6 | 178.2 | 177.2 | 0 | 112.2 | V1019 A1027 | V1019-K1023 HydrophobicContact CG1-CD 4.04Å; V1019-K1023 VanDerWaalsContact O-CB 3.3Å; V1019-K1023 WeakPolarHBondContact O-CB 3.24Å; V1019-K1023 WeakPolarHBondContact O-CG 3.37Å; V1019-K1023 PolarHBondContact O-N 3.1Å; V1019-K1023 VanDerWaalsContact O-N 3.09Å; K1023-A1027 WeakPolarHBondContact O-CB 3.44Å; K1023-A1027 PolarHBondContact O-N 3.41Å |
| 1024 | S | 40.4 | Very low | 38.9 | Very low | 78 Ų | 78 | 113.3 Ų | 113.3 | 55% | 0.545 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -64.3 | -44.1 | 178.3 | -55.2 | 0 | 0 | 0 | 0 | 111.9 | S1020 Y1021 C1022 Y1028 | S1020-S1024 PolarHBondContact O-N 2.9Å; S1020-S1024 PolarHBondContact O-OG 2.91Å; Y1021-S1024 PolarHBondContact O-N 3.39Å; C1022-S1024 VanDerWaalsContact C-N 3.29Å; C1022-S1024 PolarHBondContact O-N 3.24Å; S1024-Y1028 PolarHBondContact O-N 3.45Å |
| 1025 | K | 38.8 | Very low | 38.9 | Very low | 121 Ų | 121 | 117.9 Ų | 117.9 | 53% | 0.526 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -72.9 | -37.4 | -179.7 | -149.9 | 172.9 | -176.7 | -174 | 0 | 112.2 | Y1021 C1022 Y1028 M1029 | Y1021-K1025 HydrophobicContact CE1-CD 4.35Å; Y1021-K1025 PolarHBondContact O-N 2.95Å; C1022-K1025 PolarHBondContact O-N 3.46Å; K1025-Y1028 PolarHBondContact O-N 3.31Å; K1025-M1029 WeakPolarHBondContact O-CG 3.26Å; K1025-M1029 PolarHBondContact O-N 2.84Å |
| 1026 | L | 37.8 | Very low | 38.8 | Very low | 125 Ų | 125 | 119.7 Ų | 119.7 | 65% | 0.654 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -66.4 | -41.6 | 175.5 | -138.6 | 79.4 | 0 | 0 | 0 | 111.6 | C1022 Y1028 M1029 Y1030 | C1022-L1026 VanDerWaalsContact O-CB 3.32Å; C1022-L1026 WeakPolarHBondContact O-CB 3.24Å; C1022-L1026 PolarHBondContact O-N 2.98Å; L1026-Y1028 VanDerWaalsContact C-N 3.32Å; L1026-Y1028 PolarHBondContact O-N 3.47Å; L1026-M1029 PolarHBondContact O-N 3.49Å; L1026-Y1030 WeakPolarHBondContact O-CB 3.14Å; L1026-Y1030 PolarHBondContact O-N 2.7Å |
| 1027 | A | 40.4 | Very low | 38.6 | Very low | 57 Ų | 57 | 126.1 Ų | 126.1 | 47% | 0.471 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -59.7 | -42.7 | 175 | 0 | 0 | 0 | 0 | 0 | 111.8 | K1023 Y1030 F1031 | K1023-A1027 WeakPolarHBondContact O-CB 3.44Å; K1023-A1027 PolarHBondContact O-N 3.41Å; A1027-Y1030 PolarHBondContact O-N 2.85Å; A1027-F1031 PolarHBondContact O-N 3.28Å |
| 1028 | Y | 40.4 | Very low | 38.8 | Very low | 182 Ų | 182 | 128.4 Ų | 128.4 | 71% | 0.714 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -65.9 | -40.5 | 177.3 | -156.2 | -90.1 | 0 | 0 | 0 | 112.5 | S1024 K1025 L1026 S1032 | S1024-Y1028 PolarHBondContact O-N 3.45Å; K1025-Y1028 PolarHBondContact O-N 3.31Å; L1026-Y1028 VanDerWaalsContact C-N 3.32Å; L1026-Y1028 PolarHBondContact O-N 3.47Å; Y1028-S1032 WeakPolarHBondContact O-CB 3.45Å; Y1028-S1032 PolarHBondContact O-N 3.39Å; Y1028-S1032 PolarHBondContact O-OG 3.16Å |
| 1029 | M | 37.9 | Very low | 38.8 | Very low | 117 Ų | 117 | 129.9 Ų | 129.9 | 58% | 0.576 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -70.7 | -36.6 | 174.9 | -70.9 | -167.6 | 76.8 | 0 | 0 | 112.6 | K1025 L1026 S1032 F1033 | K1025-M1029 WeakPolarHBondContact O-CG 3.26Å; K1025-M1029 PolarHBondContact O-N 2.84Å; L1026-M1029 PolarHBondContact O-N 3.49Å; M1029-S1032 PolarHBondContact O-N 2.98Å; M1029-F1033 VanDerWaalsContact O-CB 3.3Å; M1029-F1033 WeakPolarHBondContact O-CB 3.35Å; M1029-F1033 PolarHBondContact O-N 2.86Å |
| 1030 | Y | 36.7 | Very low | 38.5 | Very low | 170 Ų | 170 | 131.3 Ų | 131.3 | 67% | 0.667 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -65.7 | -42.2 | 177.2 | -156.2 | -90.3 | 0 | 0 | 0 | 111.3 | L1026 A1027 F1033 H1034 | L1026-Y1030 WeakPolarHBondContact O-CB 3.14Å; L1026-Y1030 PolarHBondContact O-N 2.7Å; A1027-Y1030 PolarHBondContact O-N 2.85Å; Y1030-F1033 PolarHBondContact O-N 3.39Å; Y1030-H1034 WeakPolarHBondContact O-CB 3.29Å; Y1030-H1034 PolarHBondContact O-N 2.84Å |
| 1031 | F | 40.9 | Very low | 38.5 | Very low | 168 Ų | 168 | 133.9 Ų | 133.9 | 74% | 0.737 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -59.1 | -45.9 | 170.5 | -112.4 | -91.9 | 0 | 0 | 0 | 112 | A1027 F1035 | A1027-F1031 PolarHBondContact O-N 3.28Å; F1031-F1035 PolarHBondContact O-N 2.63Å |
| 1032 | S | 37.8 | Very low | 38.5 | Very low | 63 Ų | 63 | 132.3 Ų | 132.3 | 44% | 0.441 | 67% | 0.665 | S | S | . | * | H | α-helix | trans | -64.6 | -42.1 | -179.8 | -57 | 0 | 0 | 0 | 0 | 112.6 | Y1028 M1029 F1035 S1036 | Y1028-S1032 WeakPolarHBondContact O-CB 3.45Å; Y1028-S1032 PolarHBondContact O-N 3.39Å; Y1028-S1032 PolarHBondContact O-OG 3.16Å; M1029-S1032 PolarHBondContact O-N 2.98Å; S1032-F1035 PolarHBondContact O-N 2.77Å; S1032-S1036 PolarHBondContact O-N 2.85Å |
| 1033 | F | 34.7 | Very low | 38.5 | Very low | 177 Ų | 177 | 135.2 Ų | 135.2 | 78% | 0.776 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -71.9 | -34.6 | -178.1 | -159.3 | -94.3 | 0 | 0 | 0 | 112.2 | M1029 Y1030 F1035 | M1029-F1033 VanDerWaalsContact O-CB 3.3Å; M1029-F1033 WeakPolarHBondContact O-CB 3.35Å; M1029-F1033 PolarHBondContact O-N 2.86Å; Y1030-F1033 PolarHBondContact O-N 3.39Å; F1033-F1035 VanDerWaalsContact C-N 3.32Å; F1033-F1035 PolarHBondContact O-N 3.22Å |
| 1034 | H | 37.3 | Very low | 38.5 | Very low | 145 Ų | 145 | 134.4 Ų | 134.4 | 67% | 0.671 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -77 | -17.3 | 178.6 | -145.3 | -51.9 | 0 | 0 | 0 | 113.6 | Y1030 | Y1030-H1034 WeakPolarHBondContact O-CB 3.29Å; Y1030-H1034 PolarHBondContact O-N 2.84Å |
| 1035 | F | 38.8 | Very low | 38.4 | Very low | 176 Ų | 176 | 135.8 Ų | 135.8 | 77% | 0.772 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -89.7 | -23.3 | 175.9 | -145.6 | -92.5 | 0 | 0 | 0 | 113.3 | F1031 S1032 F1033 R1037 | F1031-F1035 PolarHBondContact O-N 2.63Å; S1032-F1035 PolarHBondContact O-N 2.77Å; F1033-F1035 VanDerWaalsContact C-N 3.32Å; F1033-F1035 PolarHBondContact O-N 3.22Å; F1035-R1037 PolarHBondContact O-N 2.72Å |
| 1036 | S | 37.8 | Very low | 38.2 | Very low | 100 Ų | 100 | 139.1 Ų | 139.1 | 70% | 0.699 | 68% | 0.682 | S | S | * | * | trans | -97.2 | 54.8 | -176.7 | -156.3 | 0 | 0 | 0 | 0 | 113 | S1032 | S1032-S1036 PolarHBondContact O-N 2.85Š| ||
| 1037 | R | 38.2 | Very low | 38.1 | Very low | 228 Ų | 228 | 140.7 Ų | 140.7 | 86% | 0.86 | 68% | 0.684 | S | S | * | * | trans | -123.5 | 36.8 | 178.7 | -145.2 | -178.8 | -173.8 | -177.3 | 2.3 | 115.8 | F1035 | F1035-R1037 PolarHBondContact O-N 2.72Š| ||
| 1038 | T | 43.2 | Very low | 38.1 | Very low | 128 Ų | 128 | 143 Ų | 143 | 79% | 0.785 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -147.8 | 126.2 | 157.5 | 13.3 | 0 | 0 | 0 | 0 | 110.4 | ||
| 1039 | N | 43.1 | Very low | 37.8 | Very low | 158 Ų | 158 | 139.6 Ų | 139.6 | 85% | 0.845 | 68% | 0.681 | S | S | * | * | trans | 50.8 | 85.4 | 166.6 | -63.5 | -14.2 | 0 | 0 | 0 | 119.1 | ||||
| 1040 | C | 33.1 | Very low | 37.8 | Very low | 105 Ų | 105 | 138.1 Ų | 138.1 | 71% | 0.709 | 68% | 0.679 | S | S | * | * | trans | -149 | 161.5 | 143.3 | -113.5 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1041 | N | 38 | Very low | 37.8 | Very low | 130 Ų | 130 | 136.1 Ų | 136.1 | 70% | 0.695 | 68% | 0.679 | S | S | * | * | trans | -74.6 | 144.9 | -157.8 | -80.2 | -60.8 | 0 | 0 | 0 | 116 | I1043 Q1044 | N1041-I1043 PolarHBondContact O-N 3.19Å; N1041-Q1044 PolarHBondContact O-N 2.83Å; N1041-Q1044 VanDerWaalsContact O-N 3.13Å | ||
| 1042 | L | 37.1 | Very low | 37.7 | Very low | 128 Ų | 128 | 131.2 Ų | 131.2 | 67% | 0.67 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -54.6 | -18.3 | -176.8 | -154.5 | 73.7 | 0 | 0 | 0 | 115.2 | ||
| 1043 | I | 38.8 | Very low | 37.9 | Very low | 136 Ų | 136 | 131.5 Ų | 131.5 | 70% | 0.697 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -78.3 | -33.9 | -177.8 | -60.8 | 175.9 | 0 | 0 | 0 | 112.1 | N1041 | N1041-I1043 PolarHBondContact O-N 3.19Å |
| 1044 | Q | 37.8 | Very low | 38 | Very low | 131 Ų | 131 | 128 Ų | 128 | 61% | 0.612 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -70.3 | -39.4 | 174.3 | -84.3 | -171.9 | -18.4 | 0 | 0 | 111.6 | N1041 R1046 K1047 I1048 | N1041-Q1044 PolarHBondContact O-N 2.83Å; N1041-Q1044 VanDerWaalsContact O-N 3.13Å; Q1044-R1046 VanDerWaalsContact C-N 3.26Å; Q1044-R1046 PolarHBondContact O-N 2.78Å; Q1044-K1047 PolarHBondContact O-N 3.3Å; Q1044-K1047 VanDerWaalsContact O-N 3.09Å; Q1044-I1048 PolarHBondContact O-N 3.47Å |
| 1045 | L | 38 | Very low | 38.4 | Very low | 106 Ų | 106 | 128 Ų | 128 | 56% | 0.555 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -54.2 | -40.5 | 176 | -90.2 | 162 | 0 | 0 | 0 | 112.5 | I1048 N1049 | L1045-I1048 PolarHBondContact O-N 2.86Å; L1045-N1049 WeakPolarHBondContact O-CB 3.46Å; L1045-N1049 PolarHBondContact O-N 2.83Å |
| 1046 | R | 35.3 | Very low | 38.4 | Very low | 191 Ų | 191 | 125.1 Ų | 125.1 | 72% | 0.721 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -62.5 | -45.4 | 175.7 | -77 | -174.3 | 172.4 | 175.5 | -1.7 | 112.7 | Q1044 I1048 N1049 T1050 | Q1044-R1046 VanDerWaalsContact C-N 3.26Å; Q1044-R1046 PolarHBondContact O-N 2.78Å; R1046-I1048 PolarHBondContact O-N 3.27Å; R1046-N1049 PolarHBondContact O-N 2.87Å; R1046-T1050 PolarHBondContact O-N 3.39Å; R1046-T1050 PolarHBondContact O-OG1 2.88Å |
| 1047 | K | 35.6 | Very low | 38.4 | Very low | 158 Ų | 158 | 125.5 Ų | 125.5 | 69% | 0.687 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -64.5 | -38.5 | 178.2 | -72.7 | -169.4 | 174.6 | -174 | 0 | 112.8 | Q1044 T1050 L1051 | Q1044-K1047 PolarHBondContact O-N 3.3Å; Q1044-K1047 VanDerWaalsContact O-N 3.09Å; K1047-T1050 PolarHBondContact O-N 2.82Å; K1047-L1051 WeakPolarHBondContact O-CD1 3.23Å; K1047-L1051 PolarHBondContact O-N 3.25Å |
| 1048 | I | 38.8 | Very low | 38.5 | Very low | 105 Ų | 105 | 118.9 Ų | 118.9 | 54% | 0.538 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -66.6 | -43.6 | 175.8 | -66 | 170.3 | 0 | 0 | 0 | 110.5 | Q1044 L1045 R1046 T1050 L1051 C1052 | Q1044-I1048 PolarHBondContact O-N 3.47Å; L1045-I1048 PolarHBondContact O-N 2.86Å; R1046-I1048 PolarHBondContact O-N 3.27Å; I1048-T1050 VanDerWaalsContact C-N 3.31Å; I1048-T1050 PolarHBondContact O-N 2.8Å; I1048-L1051 PolarHBondContact O-N 3.4Å; I1048-C1052 PolarHBondContact O-N 3.3Å |
| 1049 | N | 35.2 | Very low | 38.2 | Very low | 111 Ų | 111 | 116.4 Ų | 116.4 | 59% | 0.594 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -59.4 | -41 | 176.4 | -121.3 | -1.3 | 0 | 0 | 0 | 111.9 | L1045 R1046 L1051 C1052 S1053 | L1045-N1049 WeakPolarHBondContact O-CB 3.46Å; L1045-N1049 PolarHBondContact O-N 2.83Å; R1046-N1049 PolarHBondContact O-N 2.87Å; N1049-L1051 PolarHBondContact O-N 3.11Å; N1049-C1052 PolarHBondContact O-N 2.85Å; N1049-S1053 WeakPolarHBondContact O-CB 3.39Å; N1049-S1053 PolarHBondContact O-N 3.45Å; N1049-S1053 PolarHBondContact O-OG 2.77Å |
| 1050 | T | 37.8 | Very low | 37.9 | Very low | 86 Ų | 86 | 113.2 Ų | 113.2 | 53% | 0.528 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -63.4 | -36.3 | 178 | -47.9 | 0 | 0 | 0 | 0 | 113.1 | R1046 K1047 I1048 N1054 | R1046-T1050 PolarHBondContact O-N 3.39Å; R1046-T1050 PolarHBondContact O-OG1 2.88Å; K1047-T1050 PolarHBondContact O-N 2.82Å; I1048-T1050 VanDerWaalsContact C-N 3.31Å; I1048-T1050 PolarHBondContact O-N 2.8Å; T1050-N1054 PolarHBondContact O-N 2.85Å |
| 1051 | L | 36.9 | Very low | 38 | Very low | 128 Ų | 128 | 115.5 Ų | 115.5 | 67% | 0.67 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -69.4 | -47.4 | 172.2 | -90.8 | 81.7 | 0 | 0 | 0 | 111.5 | K1047 I1048 N1049 S1053 N1054 E1055 | K1047-L1051 WeakPolarHBondContact O-CD1 3.23Å; K1047-L1051 PolarHBondContact O-N 3.25Å; I1048-L1051 PolarHBondContact O-N 3.4Å; N1049-L1051 PolarHBondContact O-N 3.11Å; L1051-S1053 VanDerWaalsContact C-N 3.32Å; L1051-S1053 PolarHBondContact O-N 2.87Å; L1051-N1054 PolarHBondContact O-N 2.92Å; L1051-N1054 VanDerWaalsContact O-N 3.17Å; L1051-E1055 PolarHBondContact O-N 2.92Å |
| 1052 | C | 38.7 | Very low | 38 | Very low | 66 Ų | 66 | 116.5 Ų | 116.5 | 45% | 0.446 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -59.1 | -41.5 | 178.5 | -76 | 0 | 0 | 0 | 0 | 112.4 | I1048 N1049 N1054 E1055 L1056 | I1048-C1052 PolarHBondContact O-N 3.3Å; N1049-C1052 PolarHBondContact O-N 2.85Å; C1052-N1054 VanDerWaalsContact C-N 3.3Å; C1052-N1054 PolarHBondContact O-N 3.04Å; C1052-E1055 PolarHBondContact O-N 3.05Å; C1052-L1056 VanDerWaalsContact O-CB 3.3Å; C1052-L1056 WeakPolarHBondContact O-CB 3.49Å; C1052-L1056 PolarHBondContact O-N 3.31Å |
| 1053 | S | 41.3 | Very low | 38 | Very low | 69 Ų | 69 | 115.6 Ų | 115.6 | 48% | 0.483 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -59.5 | -38.7 | 177 | -65 | 0 | 0 | 0 | 0 | 112.6 | N1049 L1051 L1057 | N1049-S1053 WeakPolarHBondContact O-CB 3.39Å; N1049-S1053 PolarHBondContact O-N 3.45Å; N1049-S1053 PolarHBondContact O-OG 2.77Å; L1051-S1053 VanDerWaalsContact C-N 3.32Å; L1051-S1053 PolarHBondContact O-N 2.87Å; S1053-L1057 VanDerWaalsContact O-CB 3.31Å; S1053-L1057 WeakPolarHBondContact O-CB 3.35Å; S1053-L1057 PolarHBondContact O-N 2.91Å |
| 1054 | N | 38.3 | Very low | 37.9 | Very low | 103 Ų | 103 | 116.7 Ų | 116.7 | 55% | 0.551 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -72.5 | -43.5 | -178.8 | -72.7 | -11.3 | 0 | 0 | 0 | 112.4 | T1050 L1051 C1052 L1057 V1058 | T1050-N1054 PolarHBondContact O-N 2.85Å; L1051-N1054 PolarHBondContact O-N 2.92Å; L1051-N1054 VanDerWaalsContact O-N 3.17Å; C1052-N1054 VanDerWaalsContact C-N 3.3Å; C1052-N1054 PolarHBondContact O-N 3.04Å; N1054-L1057 PolarHBondContact O-N 3.19Å; N1054-V1058 PolarHBondContact O-N 3.5Å |
| 1055 | E | 45.1 | Very low | 37.9 | Very low | 145 Ų | 145 | 120.7 Ų | 120.7 | 68% | 0.678 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -69.9 | -37 | 176 | -69.7 | -165.1 | 169.4 | 0 | 0 | 112.1 | L1051 C1052 L1057 V1058 C1059 | L1051-E1055 PolarHBondContact O-N 2.92Å; C1052-E1055 PolarHBondContact O-N 3.05Å; E1055-L1057 VanDerWaalsContact C-N 3.27Å; E1055-L1057 PolarHBondContact O-N 2.94Å; E1055-V1058 PolarHBondContact O-N 3.48Å; E1055-C1059 PolarHBondContact O-N 3.32Å; E1055-C1059 VanDerWaalsContact O-N 3.08Å |
| 1056 | L | 39.4 | Very low | 38 | Very low | 115 Ų | 115 | 121.6 Ų | 121.6 | 60% | 0.602 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -64.2 | -33.9 | 174.7 | -144.7 | 81.3 | 0 | 0 | 0 | 111.8 | C1052 C1059 L1060 | C1052-L1056 VanDerWaalsContact O-CB 3.3Å; C1052-L1056 WeakPolarHBondContact O-CB 3.49Å; C1052-L1056 PolarHBondContact O-N 3.31Å; L1056-C1059 PolarHBondContact O-N 2.88Å; L1056-L1060 WeakPolarHBondContact O-CB 3.45Å; L1056-L1060 WeakPolarHBondContact O-CG 3.43Å; L1056-L1060 PolarHBondContact O-N 2.79Å |
| 1057 | L | 37.6 | Very low | 37.9 | Very low | 108 Ų | 108 | 124.5 Ų | 124.5 | 57% | 0.565 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -65.3 | -38.8 | 175 | -165.4 | 70.7 | 0 | 0 | 0 | 111.7 | S1053 N1054 E1055 L1060 F1061 | S1053-L1057 VanDerWaalsContact O-CB 3.31Å; S1053-L1057 WeakPolarHBondContact O-CB 3.35Å; S1053-L1057 PolarHBondContact O-N 2.91Å; N1054-L1057 PolarHBondContact O-N 3.19Å; E1055-L1057 VanDerWaalsContact C-N 3.27Å; E1055-L1057 PolarHBondContact O-N 2.94Å; L1057-L1060 PolarHBondContact O-N 3.39Å; L1057-F1061 WeakPolarHBondContact O-CB 3.47Å; L1057-F1061 PolarHBondContact O-N 2.81Å |
| 1058 | V | 39.1 | Very low | 38 | Very low | 90 Ų | 90 | 122.9 Ų | 122.9 | 55% | 0.545 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -64.5 | -44 | 174.1 | 175.7 | 0 | 0 | 0 | 0 | 111.2 | N1054 E1055 L1060 F1061 F1062 | N1054-V1058 PolarHBondContact O-N 3.5Å; E1055-V1058 PolarHBondContact O-N 3.48Å; V1058-L1060 VanDerWaalsContact C-N 3.35Å; V1058-L1060 PolarHBondContact O-N 2.81Å; V1058-F1061 PolarHBondContact O-N 3.21Å; V1058-F1062 PolarHBondContact O-N 3.09Å |
| 1059 | C | 37.2 | Very low | 38 | Very low | 75 Ų | 75 | 123.8 Ų | 123.8 | 51% | 0.507 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -62.2 | -40.4 | 175.2 | -67.9 | 0 | 0 | 0 | 0 | 112.4 | E1055 L1056 F1062 L1063 | E1055-C1059 PolarHBondContact O-N 3.32Å; E1055-C1059 VanDerWaalsContact O-N 3.08Å; L1056-C1059 PolarHBondContact O-N 2.88Å; C1059-F1062 PolarHBondContact O-N 2.94Å; C1059-L1063 WeakPolarHBondContact O-CG 3.38Å; C1059-L1063 PolarHBondContact O-N 3.29Å |
| 1060 | L | 37.4 | Very low | 38.1 | Very low | 92 Ų | 92 | 124.5 Ų | 124.5 | 48% | 0.482 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -67 | -38.3 | 174.6 | -76.3 | 165.7 | 0 | 0 | 0 | 112.1 | L1056 L1057 V1058 F1062 L1063 Q1064 | L1056-L1060 WeakPolarHBondContact O-CB 3.45Å; L1056-L1060 WeakPolarHBondContact O-CG 3.43Å; L1056-L1060 PolarHBondContact O-N 2.79Å; L1057-L1060 PolarHBondContact O-N 3.39Å; V1058-L1060 VanDerWaalsContact C-N 3.35Å; V1058-L1060 PolarHBondContact O-N 2.81Å; L1060-F1062 VanDerWaalsContact C-N 3.27Å; L1060-F1062 PolarHBondContact O-N 2.58Å; L1060-L1063 PolarHBondContact O-N 3.12Å; L1060-Q1064 VanDerWaalsContact O-CB 3.27Å; L1060-Q1064 WeakPolarHBondContact O-CB 3.48Å; L1060-Q1064 PolarHBondContact O-N 3.35Å |
| 1061 | F | 35.8 | Very low | 38.1 | Very low | 152 Ų | 152 | 126.8 Ų | 126.8 | 67% | 0.667 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -63.3 | -33.7 | 175 | -137.8 | -89.4 | 0 | 0 | 0 | 112.3 | L1057 V1058 R1065 | L1057-F1061 WeakPolarHBondContact O-CB 3.47Å; L1057-F1061 PolarHBondContact O-N 2.81Å; V1058-F1061 PolarHBondContact O-N 3.21Å; F1061-R1065 PolarHBondContact O-N 2.82Å |
| 1062 | F | 37.9 | Very low | 38.2 | Very low | 151 Ų | 151 | 126.7 Ų | 126.7 | 66% | 0.662 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -72.2 | -45.7 | 172.4 | -107.6 | -92.3 | 0 | 0 | 0 | 112.6 | V1058 C1059 L1060 Q1064 R1065 L1066 | V1058-F1062 PolarHBondContact O-N 3.09Å; C1059-F1062 PolarHBondContact O-N 2.94Å; L1060-F1062 VanDerWaalsContact C-N 3.27Å; L1060-F1062 PolarHBondContact O-N 2.58Å; F1062-Q1064 VanDerWaalsContact C-N 3.32Å; F1062-Q1064 PolarHBondContact O-N 2.98Å; F1062-R1065 CarbonylContact O-C 3.59Å; F1062-R1065 PolarHBondContact O-N 3.49Å; F1062-L1066 PolarHBondContact O-N 3.05Å |
| 1063 | L | 36 | Very low | 38.2 | Very low | 110 Ų | 110 | 130.7 Ų | 130.7 | 58% | 0.576 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -65.1 | -34.2 | 178 | -74.4 | 166.9 | 0 | 0 | 0 | 112.8 | C1059 L1060 R1065 L1066 | C1059-L1063 WeakPolarHBondContact O-CG 3.38Å; C1059-L1063 PolarHBondContact O-N 3.29Å; L1060-L1063 PolarHBondContact O-N 3.12Å; L1063-R1065 PolarHBondContact O-N 3.4Å; L1063-L1066 PolarHBondContact O-N 3.2Å |
| 1064 | Q | 36 | Very low | 38 | Very low | 159 Ų | 159 | 135.1 Ų | 135.1 | 74% | 0.743 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.6 | -6.9 | 174.4 | -167.4 | 166.3 | -1.8 | 0 | 0 | 113.1 | L1060 F1062 | L1060-Q1064 VanDerWaalsContact O-CB 3.27Å; L1060-Q1064 WeakPolarHBondContact O-CB 3.48Å; L1060-Q1064 PolarHBondContact O-N 3.35Å; F1062-Q1064 VanDerWaalsContact C-N 3.32Å; F1062-Q1064 PolarHBondContact O-N 2.98Å |
| 1065 | R | 38.6 | Very low | 37.9 | Very low | 215 Ų | 215 | 137.6 Ų | 137.6 | 81% | 0.811 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.5 | 6.5 | 170.7 | -140.8 | -179.9 | -167.4 | -172.8 | 3.9 | 113.1 | F1061 F1062 L1063 | F1061-R1065 PolarHBondContact O-N 2.82Å; F1062-R1065 CarbonylContact O-C 3.59Å; F1062-R1065 PolarHBondContact O-N 3.49Å; L1063-R1065 PolarHBondContact O-N 3.4Å |
| 1066 | L | 40.3 | Very low | 37.3 | Very low | 125 Ų | 125 | 137 Ų | 137 | 65% | 0.654 | 66% | 0.659 | S | S | * | * | trans | -113.2 | 16.7 | 173.6 | -74 | 165.3 | 0 | 0 | 0 | 111.9 | F1062 L1063 | F1062-L1066 PolarHBondContact O-N 3.05Å; L1063-L1066 PolarHBondContact O-N 3.2Å | ||
| 1067 | K | 33 | Very low | 37.2 | Very low | 252 Ų | 252 | 139 Ų | 139 | 100% | 1.096 | 66% | 0.664 | S | S | * | * | trans | -120.1 | 0 | 163.4 | -95.6 | -170.4 | 165.9 | -174.7 | 0 | 108.8 |
Retrieved 1,067 of 1,067 residues in 166.6 ms
(Link to these results)