| 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 | 81 | Confident | 92.3 | Very high | 31 Ų | 31 | 39.9 Ų | 39.9 | 15% | 0.153 | 20% | 0.196 | C | C | . | . | 0 | 132.4 | 0 | -176.6 | 176.6 | 179.4 | 0 | 0 | 107.3 | V3 E6 Y59 G62 A65 A228 | M1-V3 VanDerWaalsContact C-N 3.29Å; M1-V3 HydrophobicContact CB-CG2 4.38Å; M1-V3 HydrophobicContact CG-CG2 4.43Å; M1-V3 PolarHBondContact O-N 2.91Å; M1-E6 HydrophobicContact CE-CB 3.35Å; M1-E6 HydrophobicContact CE-CG 3.48Å; M1-E6 VanDerWaalsContact CE-CG 3.48Å; M1-E6 HydrophobicContact CG-CG 4.34Å; M1-Y59 VanDerWaalsContact CA-CE2 3.47Å; M1-Y59 VanDerWaalsContact CA-OH 3.28Å; M1-Y59 WeakPolarHBondContact CA-OH 3.33Å; M1-Y59 HydrophobicContact CB-CD1 4Å; M1-Y59 HydrophobicContact CB-CD2 3.66Å; M1-Y59 HydrophobicContact CB-CE1 3.84Å; M1-Y59 HydrophobicContact CB-CE2 3.5Å; M1-Y59 HydrophobicContact CB-CG 3.91Å; M1-Y59 HydrophobicContact CG-CD2 3.73Å; M1-Y59 HydrophobicContact CG-CE2 3.83Å; M1-Y59 HydrophobicContact CG-CG 4.27Å; M1-Y59 PolarHBondContact N-OH 2.92Å; M1-Y59 HydrophobicContact SD-CD2 4.07Å; M1-Y59 HydrophobicContact SD-CG 4.24Å; M1-G62 WeakPolarHBondContact CE-O 3.49Å; M1-A65 HydrophobicContact CE-CB 4.46Å; M1-A65 HydrophobicContact SD-CB 3.77Å; M1-A228 HydrophobicContact CB-CB 4.03Å; M1-A228 HydrophobicContact SD-CB 3.73Å | |||
| 2 | D | 90.5 | Very high | 92.5 | Very high | 102 Ų | 102 | 46.3 Ų | 46.3 | 55% | 0.545 | 22% | 0.222 | S | C | . | . | trans | -73.4 | 91.6 | 165.9 | -176.3 | -18 | 0 | 0 | 0 | 108.3 | I4 F5 E6 | D2-I4 VanDerWaalsContact C-N 3.27Å; D2-I4 PolarHBondContact O-N 3.3Å; D2-I4 PolarHBondContact OD1-N 3.29Å; D2-I4 VanDerWaalsContact OD1-N 3.16Å; D2-F5 HydrophobicContact CB-CB 4.08Å; D2-F5 VanDerWaalsContact CG-CB 3.4Å; D2-F5 PolarHBondContact OD1-N 3.46Å; D2-F5 WeakPolarHBondContact OD2-CB 3.41Å; D2-E6 WeakPolarHBondContact O-CB 3.44Å; D2-E6 WeakPolarHBondContact O-CG 3.39Å; D2-E6 PolarHBondContact O-N 3.47Å; D2-E6 VanDerWaalsContact O-N 3.13Å | ||
| 3 | V | 93.3 | Very high | 92.5 | Very high | 1 Ų | 1 | 50.2 Ų | 50.2 | 1% | 0.006 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -65.1 | -34.2 | -176.2 | 169.1 | 0 | 0 | 0 | 0 | 111.2 | M1 S7 Y68 L221 C224 E225 | M1-V3 VanDerWaalsContact C-N 3.29Å; M1-V3 HydrophobicContact CB-CG2 4.38Å; M1-V3 HydrophobicContact CG-CG2 4.43Å; M1-V3 PolarHBondContact O-N 2.91Å; V3-S7 WeakPolarHBondContact O-CB 3.29Å; V3-S7 PolarHBondContact O-N 2.88Å; V3-Y68 VanDerWaalsContact CG1-CB 3.46Å; V3-Y68 HydrophobicContact CG1-CD1 4.16Å; V3-Y68 HydrophobicContact CG1-CD2 4.49Å; V3-Y68 HydrophobicContact CG1-CG 3.8Å; V3-L221 HydrophobicContact CB-CD1 4.01Å; V3-L221 HydrophobicContact CG1-CD1 4.04Å; V3-C224 HydrophobicContact CG1-CB 3.63Å; V3-C224 HydrophobicContact CG2-CB 4.14Å; V3-E225 HydrophobicContact CB-CG 4.29Å; V3-E225 HydrophobicContact CG2-CB 4.29Å; V3-E225 HydrophobicContact CG2-CG 3.59Å |
| 4 | I | 93.5 | Very high | 92.5 | Very high | 85 Ų | 85 | 47.2 Ų | 47.2 | 44% | 0.436 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -69.1 | -47.6 | -177.2 | -62 | 177.1 | 0 | 0 | 0 | 109.8 | D2 S8 Y68 L221 | D2-I4 VanDerWaalsContact C-N 3.27Å; D2-I4 PolarHBondContact O-N 3.3Å; D2-I4 PolarHBondContact OD1-N 3.29Å; D2-I4 VanDerWaalsContact OD1-N 3.16Å; I4-S8 VanDerWaalsContact O-CB 3.28Å; I4-S8 WeakPolarHBondContact O-CB 3.28Å; I4-S8 PolarHBondContact O-N 3.05Å; I4-S8 PolarHBondContact O-OG 3.36Å; I4-Y68 HydrophobicContact CG1-CE1 4.2Å; I4-L221 HydrophobicContact CD1-CD1 4.37Å; I4-L221 HydrophobicContact CD1-CD2 4.24Å; I4-L221 HydrophobicContact CG1-CD1 3.91Å |
| 5 | F | 93.7 | Very high | 92.6 | Very high | 121 Ų | 121 | 47.3 Ų | 47.3 | 53% | 0.531 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -60.6 | -52.6 | 177.3 | 175.6 | -98.6 | 0 | 0 | 0 | 111.4 | D2 S7 S8 R9 | D2-F5 HydrophobicContact CB-CB 4.08Å; D2-F5 VanDerWaalsContact CG-CB 3.4Å; D2-F5 PolarHBondContact OD1-N 3.46Å; D2-F5 WeakPolarHBondContact OD2-CB 3.41Å; F5-S7 PolarHBondContact O-N 2.93Å; F5-S8 WeakPolarHBondContact O-CB 3.41Å; F5-S8 PolarHBondContact O-N 3.25Å; F5-R9 WeakPolarHBondContact O-CB 3.39Å; F5-R9 PolarHBondContact O-N 2.75Å |
| 6 | E | 92.7 | Very high | 92.7 | Very high | 25 Ų | 25 | 44.3 Ų | 44.3 | 12% | 0.117 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -66.4 | -37.5 | -176.2 | -72 | -67.3 | 128.4 | 0 | 0 | 112.1 | M1 D2 R9 I10 Y50 | M1-E6 HydrophobicContact CE-CB 3.35Å; M1-E6 HydrophobicContact CE-CG 3.48Å; M1-E6 VanDerWaalsContact CE-CG 3.48Å; M1-E6 HydrophobicContact CG-CG 4.34Å; D2-E6 WeakPolarHBondContact O-CB 3.44Å; D2-E6 WeakPolarHBondContact O-CG 3.39Å; D2-E6 PolarHBondContact O-N 3.47Å; D2-E6 VanDerWaalsContact O-N 3.13Å; E6-R9 WeakPolarHBondContact O-CB 3.2Å; E6-R9 PolarHBondContact O-N 3.45Å; E6-R9 IonicContact OE1-CZ 3.22Å; E6-R9 IonicContact OE1-NE 2.8Å; E6-R9 IonicContact OE1-NH1 2.93Å; E6-R9 PolarHBondContact OE1-NH1 2.96Å; E6-R9 IonicContact OE2-CZ 3.74Å; E6-R9 IonicContact OE2-NE 3.67Å; E6-R9 IonicContact OE2-NH1 3.03Å; E6-R9 PolarHBondContact OE2-NH1 3.37Å; E6-R9 VanDerWaalsContact OE2-NH1 3.09Å; E6-R9 IonicContact OE2-NH2 3.58Å; E6-R9 PolarHBondContact OE2-NH2 3.43Å; E6-I10 PolarHBondContact O-N 3.37Å; E6-Y50 HydrophobicContact CB-CE2 4.45Å; E6-Y50 WeakPolarHBondContact OE2-CE2 3.4Å; E6-Y50 VanDerWaalsContact OE2-CZ 3.27Å; E6-Y50 PolarHBondContact OE2-OH 3.2Å |
| 7 | S | 94.5 | Very high | 92.8 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -65.6 | -42.2 | 173.2 | -168.1 | 0 | 0 | 0 | 0 | 112 | V3 F5 R9 I10 A11 S66 L69 | V3-S7 WeakPolarHBondContact O-CB 3.29Å; V3-S7 PolarHBondContact O-N 2.88Å; F5-S7 PolarHBondContact O-N 2.93Å; S7-R9 VanDerWaalsContact C-N 3.27Å; S7-R9 PolarHBondContact O-N 2.89Å; S7-I10 WeakPolarHBondContact O-CG2 3.12Å; S7-I10 PolarHBondContact O-N 3.17Å; S7-A11 WeakPolarHBondContact O-CB 3.07Å; S7-A11 PolarHBondContact O-N 3.08Å; S7-S66 WeakPolarHBondContact CA-O 3.32Å; S7-S66 WeakPolarHBondContact CB-O 3.45Å; S7-S66 PolarHBondContact OG-O 3.37Å; S7-L69 WeakPolarHBondContact OG-CB 3.2Å; S7-L69 WeakPolarHBondContact OG-CG 3.45Å; S7-L69 PolarHBondContact OG-N 3.44Å |
| 8 | S | 94.6 | Very high | 92.8 | Very high | 28 Ų | 28 | 44 Ų | 44 | 20% | 0.196 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62.3 | -35.9 | 175.7 | -63.1 | 0 | 0 | 0 | 0 | 112.3 | I4 F5 K12 | I4-S8 VanDerWaalsContact O-CB 3.28Å; I4-S8 WeakPolarHBondContact O-CB 3.28Å; I4-S8 PolarHBondContact O-N 3.05Å; I4-S8 PolarHBondContact O-OG 3.36Å; F5-S8 WeakPolarHBondContact O-CB 3.41Å; F5-S8 PolarHBondContact O-N 3.25Å; S8-K12 PolarHBondContact O-N 2.79Å |
| 9 | R | 92.8 | Very high | 92.8 | Very high | 45 Ų | 45 | 41.7 Ų | 41.7 | 17% | 0.17 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63.5 | -40.3 | -178.7 | -169.2 | -177.9 | 77.9 | 176.4 | 18 | 113.1 | F5 E6 S7 K12 S55 | F5-R9 WeakPolarHBondContact O-CB 3.39Å; F5-R9 PolarHBondContact O-N 2.75Å; E6-R9 WeakPolarHBondContact O-CB 3.2Å; E6-R9 PolarHBondContact O-N 3.45Å; E6-R9 IonicContact OE1-CZ 3.22Å; E6-R9 IonicContact OE1-NE 2.8Å; E6-R9 IonicContact OE1-NH1 2.93Å; E6-R9 PolarHBondContact OE1-NH1 2.96Å; E6-R9 IonicContact OE2-CZ 3.74Å; E6-R9 IonicContact OE2-NE 3.67Å; E6-R9 IonicContact OE2-NH1 3.03Å; E6-R9 PolarHBondContact OE2-NH1 3.37Å; E6-R9 VanDerWaalsContact OE2-NH1 3.09Å; E6-R9 IonicContact OE2-NH2 3.58Å; E6-R9 PolarHBondContact OE2-NH2 3.43Å; S7-R9 VanDerWaalsContact C-N 3.27Å; S7-R9 PolarHBondContact O-N 2.89Å; R9-K12 WeakPolarHBondContact O-CE 3.33Å; R9-K12 VanDerWaalsContact O-CG 3.25Å; R9-K12 WeakPolarHBondContact O-CG 3.21Å; R9-S55 VanDerWaalsContact CZ-OG 3.27Å; R9-S55 PolarHBondContact NH1-OG 3.36Å; R9-S55 PolarHBondContact NH2-OG 3.35Å |
| 10 | I | 93.6 | Very high | 92.8 | Very high | 1 Ų | 1 | 39.7 Ų | 39.7 | 1% | 0.005 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -84.8 | -39.6 | 174.1 | 178.6 | 159.1 | 0 | 0 | 0 | 111.8 | E6 S7 K12 N13 V14 W46 Q49 Y50 L53 | E6-I10 PolarHBondContact O-N 3.37Å; S7-I10 WeakPolarHBondContact O-CG2 3.12Å; S7-I10 PolarHBondContact O-N 3.17Å; I10-K12 PolarHBondContact O-N 3.09Å; I10-N13 WeakPolarHBondContact O-CB 3.36Å; I10-N13 PolarHBondContact O-N 3.48Å; I10-V14 HydrophobicContact CG1-CG2 4.4Å; I10-W46 HydrophobicContact CB-CZ2 4.25Å; I10-W46 HydrophobicContact CD1-CD2 3.85Å; I10-W46 HydrophobicContact CD1-CG 4.01Å; I10-W46 HydrophobicContact CD1-CZ2 4.23Å; I10-W46 WeakPolarHBondContact CD1-O 3.47Å; I10-W46 HydrophobicContact CG1-CD2 4.31Å; I10-W46 HydrophobicContact CG1-CH2 4.34Å; I10-W46 HydrophobicContact CG1-CZ2 3.96Å; I10-W46 HydrophobicContact CG2-CH2 4.16Å; I10-W46 HydrophobicContact CG2-CZ2 3.31Å; I10-Q49 HydrophobicContact CD1-CB 4.24Å; I10-Y50 HydrophobicContact CB-CD2 4.47Å; I10-Y50 HydrophobicContact CG2-CD2 4.44Å; I10-L53 HydrophobicContact CB-CD1 4.08Å; I10-L53 HydrophobicContact CG1-CD1 4.47Å |
| 11 | A | 94.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -65.1 | -24.1 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | S7 N13 V14 W46 L69 S145 V146 K147 | S7-A11 WeakPolarHBondContact O-CB 3.07Å; S7-A11 PolarHBondContact O-N 3.08Å; A11-N13 PolarHBondContact O-N 3.27Å; A11-V14 PolarHBondContact O-N 3.01Å; A11-W46 HydrophobicContact CB-CH2 4.2Å; A11-L69 HydrophobicContact CB-CB 4.32Å; A11-L69 HydrophobicContact CB-CD1 3.82Å; A11-S145 WeakPolarHBondContact O-CB 3.49Å; A11-V146 HydrophobicContact CB-CB 4.27Å; A11-V146 HydrophobicContact CB-CG1 4.22Å; A11-V146 PolarHBondContact O-N 2.69Å; A11-K147 HydrophobicContact CB-CB 4.02Å; A11-K147 PolarHBondContact O-N 3.22Å |
| 12 | K | 94.7 | Very high | 93.5 | Very high | 117 Ų | 117 | 45 Ų | 45 | 51% | 0.509 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -24.3 | 171.4 | 66 | 176.4 | -174.1 | 176.3 | 0 | 113.4 | S8 R9 I10 S145 K147 | S8-K12 PolarHBondContact O-N 2.79Å; R9-K12 WeakPolarHBondContact O-CE 3.33Å; R9-K12 VanDerWaalsContact O-CG 3.25Å; R9-K12 WeakPolarHBondContact O-CG 3.21Å; I10-K12 PolarHBondContact O-N 3.09Å; K12-S145 WeakPolarHBondContact O-CB 3.16Å; K12-K147 HydrophobicContact CB-CB 4.47Å; K12-K147 HydrophobicContact CB-CD 4.04Å |
| 13 | N | 92.6 | Very high | 93.6 | Very high | 97 Ų | 97 | 40.1 Ų | 40.1 | 52% | 0.519 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | -4.8 | -178.5 | -62.4 | -26.1 | 0 | 0 | 0 | 112.6 | I10 A11 | I10-N13 WeakPolarHBondContact O-CB 3.36Å; I10-N13 PolarHBondContact O-N 3.48Å; A11-N13 PolarHBondContact O-N 3.27Å |
| 14 | V | 92.7 | Very high | 93.6 | Very high | 8 Ų | 8 | 42.7 Ų | 42.7 | 5% | 0.048 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -107.5 | 116.1 | -179.2 | -177.2 | 0 | 0 | 0 | 0 | 109.3 | I10 A11 T18 W46 S145 V146 | I10-V14 HydrophobicContact CG1-CG2 4.4Å; A11-V14 PolarHBondContact O-N 3.01Å; V14-T18 HydrophobicContact CG1-CG2 4.46Å; V14-W46 HydrophobicContact CB-CZ3 4.16Å; V14-W46 HydrophobicContact CG1-CZ3 4.23Å; V14-W46 HydrophobicContact CG2-CE3 4.14Å; V14-W46 HydrophobicContact CG2-CH2 4.39Å; V14-W46 HydrophobicContact CG2-CZ3 3.72Å; V14-S145 CarbonylContact O-C 3.54Å; V14-S145 WeakPolarHBondContact O-CA 3.39Å; V14-V146 HydrophobicContact CB-CG2 4.23Å; V14-V146 HydrophobicContact CG1-CG2 3.95Å; V14-V146 PolarHBondContact O-N 3.14Å |
| 15 | S | 93.8 | Very high | 93.6 | Very high | 48 Ų | 48 | 44.3 Ų | 44.3 | 34% | 0.336 | 21% | 0.211 | S | C | . | . | B | Isolated β-bridge | trans | -64.1 | 145.8 | 177.9 | 81.9 | 0 | 0 | 0 | 0 | 112.1 | T17 T18 | S15-T17 PolarHBondContact O-N 2.62Å; S15-T18 WeakPolarHBondContact O-CB 3.26Å; S15-T18 PolarHBondContact O-N 3.27Å; S15-T18 VanDerWaalsContact O-N 3.14Å; S15-T18 PolarHBondContact OG-N 3.48Å; S15-T18 PolarHBondContact OG-OG1 2.82Å |
| 16 | F | 94.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -63.5 | -32.3 | 173.6 | 178.1 | -143.5 | 0 | 0 | 0 | 112.1 | T18 Y19 C20 L144 L149 T176 E180 I184 | F16-T18 VanDerWaalsContact C-N 3.28Å; F16-T18 PolarHBondContact O-N 3.45Å; F16-Y19 AromaticContact CD2-CD1 3.71Å; F16-Y19 HydrophobicContact CD2-CD1 3.71Å; F16-Y19 HydrophobicContact CD2-CE1 4.49Å; F16-Y19 HydrophobicContact CD2-CG 4.41Å; F16-Y19 AromaticContact CE2-CD1 3.41Å; F16-Y19 HydrophobicContact CE2-CD1 3.41Å; F16-Y19 VanDerWaalsContact CE2-CD1 3.41Å; F16-Y19 AromaticContact CE2-CE1 3.81Å; F16-Y19 HydrophobicContact CE2-CE1 3.81Å; F16-Y19 HydrophobicContact CE2-CG 4.49Å; F16-Y19 WeakPolarHBondContact O-CB 3.23Å; F16-Y19 PolarHBondContact O-N 3.17Å; F16-Y19 VanDerWaalsContact O-N 3.11Å; F16-C20 WeakPolarHBondContact CE2-SG 3.45Å; F16-C20 WeakPolarHBondContact CZ-SG 3.17Å; F16-C20 PolarHBondContact O-N 3.25Å; F16-L144 HydrophobicContact CB-CB 4.29Å; F16-L144 VanDerWaalsContact CB-O 3.3Å; F16-L144 WeakPolarHBondContact CB-O 3.49Å; F16-L144 PolarHBondContact N-O 3.43Å; F16-L149 HydrophobicContact CD1-CD2 4.25Å; F16-L149 HydrophobicContact CD2-CD2 3.41Å; F16-L149 VanDerWaalsContact CD2-CD2 3.41Å; F16-L149 HydrophobicContact CE1-CD1 4.39Å; F16-L149 HydrophobicContact CE1-CD2 4.02Å; F16-L149 HydrophobicContact CE2-CD2 3.18Å; F16-L149 HydrophobicContact CG-CD2 3.97Å; F16-L149 HydrophobicContact CZ-CD1 4.47Å; F16-L149 HydrophobicContact CZ-CD2 3.54Å; F16-T176 HydrophobicContact CD1-CG2 4.35Å; F16-T176 HydrophobicContact CE1-CG2 4.33Å; F16-E180 HydrophobicContact CD1-CB 3.87Å; F16-E180 HydrophobicContact CD1-CG 3.58Å; F16-E180 HydrophobicContact CE1-CB 3.42Å; F16-E180 VanDerWaalsContact CE1-CB 3.42Å; F16-E180 HydrophobicContact CE1-CG 3.58Å; F16-E180 HydrophobicContact CG-CG 4.33Å; F16-E180 HydrophobicContact CZ-CB 4.19Å; F16-E180 HydrophobicContact CZ-CG 4.29Å; F16-I184 HydrophobicContact CE1-CD1 3.66Å; F16-I184 HydrophobicContact CE1-CG1 3.85Å; F16-I184 HydrophobicContact CZ-CD1 4.13Å; F16-I184 HydrophobicContact CZ-CG1 3.77Å |
| 17 | T | 93.7 | Very high | 93.4 | Very high | 26 Ų | 26 | 39.3 Ų | 39.3 | 16% | 0.16 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -58.1 | -39.9 | 172.9 | -69.3 | 0 | 0 | 0 | 0 | 112 | S15 Y19 C20 R21 S142 E180 | S15-T17 PolarHBondContact O-N 2.62Å; T17-Y19 VanDerWaalsContact C-N 3.31Å; T17-Y19 PolarHBondContact O-N 3.43Å; T17-C20 PolarHBondContact O-N 3.35Å; T17-R21 HydrophobicContact CG2-CG 4.37Å; T17-R21 WeakPolarHBondContact O-CB 3.09Å; T17-R21 WeakPolarHBondContact O-CG 3.23Å; T17-R21 PolarHBondContact O-N 2.73Å; T17-S142 WeakPolarHBondContact OG1-CB 3.36Å; T17-S142 PolarHBondContact OG1-OG 2.91Å; T17-E180 WeakPolarHBondContact CA-OE1 3.28Å; T17-E180 PolarHBondContact N-OE1 3.29Å; T17-E180 VanDerWaalsContact N-OE1 3.11Å; T17-E180 PolarHBondContact OG1-OE1 2.99Å |
| 18 | T | 93.5 | Very high | 93.2 | Very high | 57 Ų | 57 | 43.5 Ų | 43.5 | 35% | 0.35 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -58.6 | -44.1 | 175.6 | -60.1 | 0 | 0 | 0 | 0 | 111.1 | V14 S15 F16 R21 L22 F42 | V14-T18 HydrophobicContact CG1-CG2 4.46Å; S15-T18 WeakPolarHBondContact O-CB 3.26Å; S15-T18 PolarHBondContact O-N 3.27Å; S15-T18 VanDerWaalsContact O-N 3.14Å; S15-T18 PolarHBondContact OG-N 3.48Å; S15-T18 PolarHBondContact OG-OG1 2.82Å; F16-T18 VanDerWaalsContact C-N 3.28Å; F16-T18 PolarHBondContact O-N 3.45Å; T18-R21 PolarHBondContact O-N 2.75Å; T18-L22 PolarHBondContact O-N 3.37Å; T18-L22 VanDerWaalsContact O-N 3.08Å; T18-F42 HydrophobicContact CG2-CE2 4.07Å; T18-F42 HydrophobicContact CG2-CZ 4.5Å |
| 19 | Y | 92.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -64.2 | -45.4 | 175.5 | 166.3 | -93 | 0 | 0 | 0 | 112.2 | F16 T17 R21 L22 L23 L70 L73 L74 | F16-Y19 AromaticContact CD2-CD1 3.71Å; F16-Y19 HydrophobicContact CD2-CD1 3.71Å; F16-Y19 HydrophobicContact CD2-CE1 4.49Å; F16-Y19 HydrophobicContact CD2-CG 4.41Å; F16-Y19 AromaticContact CE2-CD1 3.41Å; F16-Y19 HydrophobicContact CE2-CD1 3.41Å; F16-Y19 VanDerWaalsContact CE2-CD1 3.41Å; F16-Y19 AromaticContact CE2-CE1 3.81Å; F16-Y19 HydrophobicContact CE2-CE1 3.81Å; F16-Y19 HydrophobicContact CE2-CG 4.49Å; F16-Y19 WeakPolarHBondContact O-CB 3.23Å; F16-Y19 PolarHBondContact O-N 3.17Å; F16-Y19 VanDerWaalsContact O-N 3.11Å; T17-Y19 VanDerWaalsContact C-N 3.31Å; T17-Y19 PolarHBondContact O-N 3.43Å; Y19-R21 VanDerWaalsContact C-N 3.31Å; Y19-R21 PolarHBondContact O-N 2.9Å; Y19-L22 WeakPolarHBondContact O-CB 3.03Å; Y19-L22 PolarHBondContact O-N 2.95Å; Y19-L22 VanDerWaalsContact O-N 3.14Å; Y19-L23 HydrophobicContact CD1-CD1 4.18Å; Y19-L23 HydrophobicContact CD1-CG 4.44Å; Y19-L23 HydrophobicContact CE1-CD1 3.4Å; Y19-L23 VanDerWaalsContact CE1-CD1 3.4Å; Y19-L23 HydrophobicContact CE1-CG 4Å; Y19-L23 HydrophobicContact CE2-CD1 4.3Å; Y19-L23 HydrophobicContact CE2-CD2 4.22Å; Y19-L23 HydrophobicContact CE2-CG 4.2Å; Y19-L23 VanDerWaalsContact CZ-CD1 3.49Å; Y19-L23 PolarHBondContact O-N 2.95Å; Y19-L23 WeakPolarHBondContact OH-CD1 3.49Å; Y19-L70 HydrophobicContact CD2-CD1 3.5Å; Y19-L70 VanDerWaalsContact CD2-CD1 3.5Å; Y19-L70 HydrophobicContact CD2-CG 4.38Å; Y19-L70 HydrophobicContact CE2-CD1 4.17Å; Y19-L70 HydrophobicContact CG-CD1 4.28Å; Y19-L73 HydrophobicContact CE1-CB 4.34Å; Y19-L73 HydrophobicContact CE1-CD1 4.47Å; Y19-L73 HydrophobicContact CE2-CB 3.75Å; Y19-L73 HydrophobicContact CE2-CD1 4.43Å; Y19-L73 VanDerWaalsContact OH-C 3.24Å; Y19-L73 VanDerWaalsContact OH-CB 3.28Å; Y19-L73 WeakPolarHBondContact OH-CB 3.23Å; Y19-L73 PolarHBondContact OH-O 3.37Å; Y19-L74 HydrophobicContact CE2-CD2 3.91Å; Y19-L74 HydrophobicContact CE2-CG 4.18Å |
| 20 | C | 93.8 | Very high | 92.9 | Very high | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.007 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.1 | -38.4 | 178.4 | -70.9 | 0 | 0 | 0 | 0 | 112.5 | F16 T17 L23 E24 E180 | F16-C20 WeakPolarHBondContact CE2-SG 3.45Å; F16-C20 WeakPolarHBondContact CZ-SG 3.17Å; F16-C20 PolarHBondContact O-N 3.25Å; T17-C20 PolarHBondContact O-N 3.35Å; C20-L23 PolarHBondContact O-N 3.03Å; C20-E24 PolarHBondContact O-N 3.41Å; C20-E180 HydrophobicContact CB-CG 4.38Å |
| 21 | R | 93.3 | Very high | 92.6 | Very high | 170 Ų | 170 | 50.2 Ų | 50.2 | 64% | 0.642 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -65.3 | -37.9 | 174.4 | -72.8 | 175.8 | -179.7 | 163.3 | 2.1 | 112.2 | T17 T18 Y19 K25 | T17-R21 HydrophobicContact CG2-CG 4.37Å; T17-R21 WeakPolarHBondContact O-CB 3.09Å; T17-R21 WeakPolarHBondContact O-CG 3.23Å; T17-R21 PolarHBondContact O-N 2.73Å; T18-R21 PolarHBondContact O-N 2.75Å; Y19-R21 VanDerWaalsContact C-N 3.31Å; Y19-R21 PolarHBondContact O-N 2.9Å; R21-K25 WeakPolarHBondContact O-CB 3.47Å; R21-K25 PolarHBondContact O-N 2.74Å |
| 22 | L | 94.2 | Very high | 92.5 | Very high | 12 Ų | 12 | 54 Ų | 54 | 6% | 0.063 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -59.6 | -48.2 | 171.8 | 173 | 67.3 | 0 | 0 | 0 | 110.6 | T18 Y19 K25 L26 I38 L39 F42 | T18-L22 PolarHBondContact O-N 3.37Å; T18-L22 VanDerWaalsContact O-N 3.08Å; Y19-L22 WeakPolarHBondContact O-CB 3.03Å; Y19-L22 PolarHBondContact O-N 2.95Å; Y19-L22 VanDerWaalsContact O-N 3.14Å; L22-K25 PolarHBondContact O-N 2.87Å; L22-L26 HydrophobicContact CD1-CD1 4.06Å; L22-L26 HydrophobicContact CD1-CG 4.18Å; L22-L26 HydrophobicContact CG-CD1 3.98Å; L22-L26 HydrophobicContact CG-CG 4.47Å; L22-L26 VanDerWaalsContact O-CG 3.31Å; L22-L26 WeakPolarHBondContact O-CG 3.31Å; L22-L26 PolarHBondContact O-N 3.28Å; L22-I38 HydrophobicContact CD1-CG2 4.02Å; L22-L39 HydrophobicContact CD2-CD1 4.32Å; L22-F42 HydrophobicContact CD1-CB 4.16Å; L22-F42 HydrophobicContact CD1-CD2 4.06Å; L22-F42 HydrophobicContact CD1-CG 4.19Å; L22-F42 HydrophobicContact CD2-CB 4.34Å; L22-F42 HydrophobicContact CD2-CD1 3.86Å; L22-F42 HydrophobicContact CD2-CD2 3.83Å; L22-F42 HydrophobicContact CD2-CE1 4.13Å; L22-F42 HydrophobicContact CD2-CE2 4.06Å; L22-F42 HydrophobicContact CD2-CG 3.72Å; L22-F42 HydrophobicContact CD2-CZ 4.21Å; L22-F42 HydrophobicContact CG-CD2 4.36Å |
| 23 | L | 93.5 | Very high | 92.4 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -62.9 | -43.6 | 179.2 | -67.2 | -173 | 0 | 0 | 0 | 112.9 | Y19 C20 K25 L26 A27 L74 W183 C195 | Y19-L23 HydrophobicContact CD1-CD1 4.18Å; Y19-L23 HydrophobicContact CD1-CG 4.44Å; Y19-L23 HydrophobicContact CE1-CD1 3.4Å; Y19-L23 VanDerWaalsContact CE1-CD1 3.4Å; Y19-L23 HydrophobicContact CE1-CG 4Å; Y19-L23 HydrophobicContact CE2-CD1 4.3Å; Y19-L23 HydrophobicContact CE2-CD2 4.22Å; Y19-L23 HydrophobicContact CE2-CG 4.2Å; Y19-L23 VanDerWaalsContact CZ-CD1 3.49Å; Y19-L23 PolarHBondContact O-N 2.95Å; Y19-L23 WeakPolarHBondContact OH-CD1 3.49Å; C20-L23 PolarHBondContact O-N 3.03Å; L23-K25 VanDerWaalsContact C-N 3.34Å; L23-K25 PolarHBondContact O-N 3.24Å; L23-L26 PolarHBondContact O-N 3.42Å; L23-A27 VanDerWaalsContact O-CB 3.26Å; L23-A27 WeakPolarHBondContact O-CB 3.06Å; L23-A27 PolarHBondContact O-N 3.36Å; L23-L74 HydrophobicContact CD2-CD2 4.03Å; L23-W183 HydrophobicContact CB-CD2 3.97Å; L23-W183 HydrophobicContact CB-CE3 4.18Å; L23-W183 HydrophobicContact CB-CH2 3.74Å; L23-W183 HydrophobicContact CB-CZ2 3.52Å; L23-W183 HydrophobicContact CB-CZ3 4.08Å; L23-W183 HydrophobicContact CD1-CB 4.25Å; L23-W183 HydrophobicContact CD1-CD2 3.44Å; L23-W183 VanDerWaalsContact CD1-CD2 3.44Å; L23-W183 HydrophobicContact CD1-CE3 3.4Å; L23-W183 HydrophobicContact CD1-CG 3.85Å; L23-W183 HydrophobicContact CD1-CH2 4.4Å; L23-W183 HydrophobicContact CD1-CZ2 4.46Å; L23-W183 HydrophobicContact CD1-CZ3 3.92Å; L23-W183 HydrophobicContact CG-CD2 4.41Å; L23-W183 HydrophobicContact CG-CE3 4.45Å; L23-C195 HydrophobicContact CD2-CB 4.01Å |
| 24 | E | 92 | Very high | 92.5 | Very high | 55 Ų | 55 | 55.1 Ų | 55.1 | 26% | 0.257 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -59.2 | -46.3 | 174.9 | -79.1 | -63.6 | 152.3 | 0 | 0 | 111 | C20 L26 A27 S28 L179 K182 W183 | C20-E24 PolarHBondContact O-N 3.41Å; E24-L26 VanDerWaalsContact C-N 3.34Å; E24-L26 PolarHBondContact O-N 2.83Å; E24-A27 PolarHBondContact O-N 2.92Å; E24-S28 WeakPolarHBondContact O-CB 3.4Å; E24-S28 PolarHBondContact O-N 2.7Å; E24-S28 PolarHBondContact O-OG 3.22Å; E24-L179 HydrophobicContact CG-CD1 3.94Å; E24-L179 HydrophobicContact CG-CD2 4.39Å; E24-L179 WeakPolarHBondContact OE1-CD1 3.32Å; E24-K182 IonicContact OE1-NZ 3.44Å; E24-K182 PolarHBondContact OE1-NZ 2.82Å; E24-W183 HydrophobicContact CG-CZ2 3.99Å; E24-W183 WeakPolarHBondContact OE1-CZ2 3.33Å; E24-W183 PolarHBondContact OE1-NE1 3.47Å |
| 25 | K | 93.7 | Very high | 92.7 | Very high | 120 Ų | 120 | 55.9 Ų | 55.9 | 52% | 0.522 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -61.5 | -41.1 | 177.3 | -173.7 | 175 | -178.2 | 172.1 | 0 | 112.5 | R21 L22 L23 S28 S29 I38 | R21-K25 WeakPolarHBondContact O-CB 3.47Å; R21-K25 PolarHBondContact O-N 2.74Å; L22-K25 PolarHBondContact O-N 2.87Å; L23-K25 VanDerWaalsContact C-N 3.34Å; L23-K25 PolarHBondContact O-N 3.24Å; K25-S28 PolarHBondContact O-OG 3.02Å; K25-S29 WeakPolarHBondContact O-CB 3.46Å; K25-S29 PolarHBondContact O-N 3.47Å; K25-S29 VanDerWaalsContact O-N 3.16Å; K25-S29 PolarHBondContact O-OG 2.8Å; K25-I38 HydrophobicContact CD-CG2 4.11Å; K25-I38 HydrophobicContact CG-CD1 4.25Å; K25-I38 HydrophobicContact CG-CG2 4.42Å |
| 26 | L | 94.2 | Very high | 92.7 | Very high | 1 Ų | 1 | 55.6 Ų | 55.6 | 1% | 0.005 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -68.1 | -41.7 | 176.3 | -70.7 | 172.1 | 0 | 0 | 0 | 111.5 | L22 L23 E24 S29 K35 I38 L39 C195 L197 | L22-L26 HydrophobicContact CD1-CD1 4.06Å; L22-L26 HydrophobicContact CD1-CG 4.18Å; L22-L26 HydrophobicContact CG-CD1 3.98Å; L22-L26 HydrophobicContact CG-CG 4.47Å; L22-L26 VanDerWaalsContact O-CG 3.31Å; L22-L26 WeakPolarHBondContact O-CG 3.31Å; L22-L26 PolarHBondContact O-N 3.28Å; L23-L26 PolarHBondContact O-N 3.42Å; E24-L26 VanDerWaalsContact C-N 3.34Å; E24-L26 PolarHBondContact O-N 2.83Å; L26-S29 PolarHBondContact O-N 2.78Å; L26-K35 HydrophobicContact CD2-CB 3.96Å; L26-K35 HydrophobicContact CD2-CG 4.42Å; L26-K35 VanDerWaalsContact CD2-O 3.25Å; L26-K35 WeakPolarHBondContact CD2-O 3.26Å; L26-K35 WeakPolarHBondContact O-CD 3.32Å; L26-K35 WeakPolarHBondContact O-CE 3.32Å; L26-K35 PolarHBondContact O-NZ 3.43Å; L26-I38 HydrophobicContact CD2-CB 3.93Å; L26-I38 HydrophobicContact CD2-CG2 3.84Å; L26-I38 HydrophobicContact CG-CG2 4.43Å; L26-L39 HydrophobicContact CD2-CB 4.41Å; L26-C195 CarbonylContact C-O 3.52Å; L26-C195 HydrophobicContact CB-CB 3.89Å; L26-C195 HydrophobicContact CD1-CB 4.04Å; L26-L197 HydrophobicContact CD2-CD1 4.45Å |
| 27 | A | 89.3 | Confident | 92.8 | Very high | 40 Ų | 40 | 63.6 Ų | 63.6 | 33% | 0.331 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -66.2 | -38.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112 | L23 E24 W183 | L23-A27 VanDerWaalsContact O-CB 3.26Å; L23-A27 WeakPolarHBondContact O-CB 3.06Å; L23-A27 PolarHBondContact O-N 3.36Å; E24-A27 PolarHBondContact O-N 2.92Å; A27-W183 HydrophobicContact CB-CH2 4.14Å |
| 28 | S | 89.8 | Confident | 92.9 | Very high | 87 Ų | 87 | 63.8 Ų | 63.8 | 61% | 0.608 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -81.2 | -15.6 | -179.3 | 74.2 | 0 | 0 | 0 | 0 | 114.5 | E24 K25 | E24-S28 WeakPolarHBondContact O-CB 3.4Å; E24-S28 PolarHBondContact O-N 2.7Å; E24-S28 PolarHBondContact O-OG 3.22Å; K25-S28 PolarHBondContact O-OG 3.02Å |
| 29 | S | 92.4 | Very high | 93 | Very high | 20 Ų | 20 | 61.2 Ų | 61.2 | 14% | 0.14 | 32% | 0.319 | C | S | . | . | S | Bend | trans | -78.7 | 141.8 | 179.7 | -64.9 | 0 | 0 | 0 | 0 | 111.1 | K25 L26 K35 I38 | K25-S29 WeakPolarHBondContact O-CB 3.46Å; K25-S29 PolarHBondContact O-N 3.47Å; K25-S29 VanDerWaalsContact O-N 3.16Å; K25-S29 PolarHBondContact O-OG 2.8Å; L26-S29 PolarHBondContact O-N 2.78Å; S29-K35 WeakPolarHBondContact O-CE 3.37Å; S29-K35 PolarHBondContact O-NZ 2.83Å; S29-I38 VanDerWaalsContact OG-CD1 3.31Å; S29-I38 WeakPolarHBondContact OG-CD1 3.13Å |
| 30 | D | 87.8 | Confident | 93 | Very high | 147 Ų | 147 | 63.2 Ų | 63.2 | 79% | 0.786 | 33% | 0.333 | S | S | * | . | trans | -91.5 | 140.1 | 174.1 | -69 | -42.1 | 0 | 0 | 0 | 111.8 | T34 | D30-T34 WeakPolarHBondContact O-CB 3.15Å; D30-T34 PolarHBondContact O-OG1 2.95Å; D30-T34 VanDerWaalsContact O-OG1 3.09Å | ||
| 31 | G | 88.5 | Confident | 93.1 | Very high | 48 Ų | 48 | 71.6 Ų | 71.6 | 50% | 0.495 | 37% | 0.365 | S | S | . | . | S | Bend | trans | 84.2 | 138.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | K33 T34 K35 | G31-K33 PolarHBondContact O-N 2.76Å; G31-T34 PolarHBondContact O-N 3.29Å; G31-K35 WeakPolarHBondContact O-CG 3.45Å; G31-K35 PolarHBondContact O-N 3.24Å |
| 32 | V | 91.3 | Very high | 93.1 | Very high | 80 Ų | 80 | 65 Ų | 65 | 49% | 0.485 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -63.1 | -44.1 | -178.6 | 178.2 | 0 | 0 | 0 | 0 | 111.4 | T34 K35 E36 L197 | V32-T34 VanDerWaalsContact C-N 3.35Å; V32-T34 PolarHBondContact O-N 3.3Å; V32-K35 WeakPolarHBondContact O-CB 3.42Å; V32-K35 PolarHBondContact O-N 2.97Å; V32-E36 HydrophobicContact CG1-CG 4.2Å; V32-E36 WeakPolarHBondContact O-CG 3.27Å; V32-E36 PolarHBondContact O-N 3.34Å; V32-L197 HydrophobicContact CG1-CD2 4.02Å |
| 33 | K | 93.1 | Very high | 93.1 | Very high | 165 Ų | 165 | 64.7 Ų | 64.7 | 72% | 0.717 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -60.5 | -40.4 | -179.2 | -66.2 | -174.4 | 178.5 | -178.5 | 0 | 112.7 | G31 E36 K37 | G31-K33 PolarHBondContact O-N 2.76Å; K33-E36 PolarHBondContact O-N 2.83Å; K33-K37 PolarHBondContact O-N 3.47Å |
| 34 | T | 95 | Very high | 93 | Very high | 72 Ų | 72 | 69 Ų | 69 | 44% | 0.442 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -62.9 | -46.1 | 177.1 | -49.6 | 0 | 0 | 0 | 0 | 111.1 | D30 G31 V32 K37 I38 | D30-T34 WeakPolarHBondContact O-CB 3.15Å; D30-T34 PolarHBondContact O-OG1 2.95Å; D30-T34 VanDerWaalsContact O-OG1 3.09Å; G31-T34 PolarHBondContact O-N 3.29Å; V32-T34 VanDerWaalsContact C-N 3.35Å; V32-T34 PolarHBondContact O-N 3.3Å; T34-K37 PolarHBondContact O-N 3Å; T34-I38 HydrophobicContact CG2-CD1 4.23Å; T34-I38 WeakPolarHBondContact O-CG1 2.9Å; T34-I38 PolarHBondContact O-N 2.76Å; T34-I38 VanDerWaalsContact O-N 3.07Å |
| 35 | K | 96.1 | Very high | 93 | Very high | 24 Ų | 24 | 70.5 Ų | 70.5 | 10% | 0.104 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -62.4 | -44.9 | 176.9 | -67.5 | 179.8 | -173.7 | -147.3 | 0 | 111.8 | L26 S29 G31 V32 K37 I38 L39 C195 L197 | L26-K35 HydrophobicContact CD2-CB 3.96Å; L26-K35 HydrophobicContact CD2-CG 4.42Å; L26-K35 VanDerWaalsContact CD2-O 3.25Å; L26-K35 WeakPolarHBondContact CD2-O 3.26Å; L26-K35 WeakPolarHBondContact O-CD 3.32Å; L26-K35 WeakPolarHBondContact O-CE 3.32Å; L26-K35 PolarHBondContact O-NZ 3.43Å; S29-K35 WeakPolarHBondContact O-CE 3.37Å; S29-K35 PolarHBondContact O-NZ 2.83Å; G31-K35 WeakPolarHBondContact O-CG 3.45Å; G31-K35 PolarHBondContact O-N 3.24Å; V32-K35 WeakPolarHBondContact O-CB 3.42Å; V32-K35 PolarHBondContact O-N 2.97Å; K35-K37 VanDerWaalsContact C-N 3.34Å; K35-K37 PolarHBondContact O-N 3.14Å; K35-I38 PolarHBondContact O-N 3.38Å; K35-L39 PolarHBondContact O-N 3.35Å; K35-C195 PolarHBondContact NZ-O 3.46Å; K35-C195 VanDerWaalsContact NZ-O 3.13Å; K35-L197 HydrophobicContact CB-CD1 4.08Å; K35-L197 HydrophobicContact CB-CD2 3.64Å; K35-L197 HydrophobicContact CB-CG 3.92Å; K35-L197 HydrophobicContact CD-CD2 4.26Å; K35-L197 HydrophobicContact CD-CG 4.36Å |
| 36 | E | 95.1 | Very high | 93 | Very high | 42 Ų | 42 | 65 Ų | 65 | 20% | 0.196 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -59.4 | -43.4 | 176.2 | -73.2 | 179.4 | 161.6 | 0 | 0 | 111 | V32 K33 I38 L39 S40 L197 S201 R204 C205 | V32-E36 HydrophobicContact CG1-CG 4.2Å; V32-E36 WeakPolarHBondContact O-CG 3.27Å; V32-E36 PolarHBondContact O-N 3.34Å; K33-E36 PolarHBondContact O-N 2.83Å; E36-I38 PolarHBondContact O-N 3.5Å; E36-L39 PolarHBondContact O-N 2.93Å; E36-S40 WeakPolarHBondContact O-CB 3.39Å; E36-S40 PolarHBondContact O-N 2.61Å; E36-S40 PolarHBondContact O-OG 2.82Å; E36-L197 HydrophobicContact CG-CD2 3.9Å; E36-S201 WeakPolarHBondContact OE1-CB 3.49Å; E36-S201 PolarHBondContact OE1-OG 3.29Å; E36-R204 IonicContact OE1-NH1 3.9Å; E36-R204 PolarHBondContact OE1-NH1 3.15Å; E36-C205 PolarHBondContact O-SG 3.3Å |
| 37 | K | 94.9 | Very high | 92.7 | Very high | 168 Ų | 168 | 66.6 Ų | 66.6 | 73% | 0.73 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -61.2 | -42 | 175.7 | -173.6 | 176.2 | -178.2 | 175.9 | 0 | 112.9 | K33 T34 K35 R41 | K33-K37 PolarHBondContact O-N 3.47Å; T34-K37 PolarHBondContact O-N 3Å; K35-K37 VanDerWaalsContact C-N 3.34Å; K35-K37 PolarHBondContact O-N 3.14Å; K37-R41 WeakPolarHBondContact O-CB 3.17Å; K37-R41 PolarHBondContact O-N 3.3Å; K37-R41 VanDerWaalsContact O-N 3.11Å |
| 38 | I | 96.1 | Very high | 92.7 | Very high | 31 Ų | 31 | 68.6 Ų | 68.6 | 16% | 0.159 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -63.2 | -46.1 | 177.3 | -68.4 | 162.3 | 0 | 0 | 0 | 110.3 | L22 K25 L26 S29 T34 K35 E36 R41 F42 | L22-I38 HydrophobicContact CD1-CG2 4.02Å; K25-I38 HydrophobicContact CD-CG2 4.11Å; K25-I38 HydrophobicContact CG-CD1 4.25Å; K25-I38 HydrophobicContact CG-CG2 4.42Å; L26-I38 HydrophobicContact CD2-CB 3.93Å; L26-I38 HydrophobicContact CD2-CG2 3.84Å; L26-I38 HydrophobicContact CG-CG2 4.43Å; S29-I38 VanDerWaalsContact OG-CD1 3.31Å; S29-I38 WeakPolarHBondContact OG-CD1 3.13Å; T34-I38 HydrophobicContact CG2-CD1 4.23Å; T34-I38 WeakPolarHBondContact O-CG1 2.9Å; T34-I38 PolarHBondContact O-N 2.76Å; T34-I38 VanDerWaalsContact O-N 3.07Å; K35-I38 PolarHBondContact O-N 3.38Å; E36-I38 PolarHBondContact O-N 3.5Å; I38-R41 PolarHBondContact O-N 2.88Å; I38-F42 PolarHBondContact O-N 2.82Å; I38-F42 VanDerWaalsContact O-N 3.12Å |
| 39 | L | 95.4 | Very high | 92.7 | Very high | 3 Ų | 3 | 69.4 Ų | 69.4 | 2% | 0.016 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -67.4 | -45.6 | -179.7 | -177.5 | 60.2 | 0 | 0 | 0 | 111.9 | L22 L26 K35 E36 R41 F42 V43 L74 L197 I202 C205 | L22-L39 HydrophobicContact CD2-CD1 4.32Å; L26-L39 HydrophobicContact CD2-CB 4.41Å; K35-L39 PolarHBondContact O-N 3.35Å; E36-L39 PolarHBondContact O-N 2.93Å; L39-R41 VanDerWaalsContact C-N 3.27Å; L39-R41 PolarHBondContact O-N 3.47Å; L39-F42 WeakPolarHBondContact O-CA 3.42Å; L39-F42 WeakPolarHBondContact O-CB 3.16Å; L39-F42 PolarHBondContact O-N 3.29Å; L39-V43 WeakPolarHBondContact O-CG2 3.31Å; L39-V43 PolarHBondContact O-N 3.23Å; L39-L74 HydrophobicContact CD1-CD1 4.19Å; L39-L197 HydrophobicContact CB-CD1 4.4Å; L39-L197 HydrophobicContact CD2-CD1 3.82Å; L39-I202 HydrophobicContact CD2-CB 4.28Å; L39-I202 HydrophobicContact CD2-CG1 3.93Å; L39-I202 HydrophobicContact CD2-CG2 4.18Å; L39-C205 HydrophobicContact CB-CB 4.42Å; L39-C205 HydrophobicContact CD2-CB 3.84Å; L39-C205 HydrophobicContact CG-CB 4Å |
| 40 | S | 94 | Very high | 92.6 | Very high | 41 Ų | 41 | 68.6 Ų | 68.6 | 29% | 0.287 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -59.2 | -38.7 | 177.2 | -61.8 | 0 | 0 | 0 | 0 | 111.9 | E36 F42 V43 I44 C205 | E36-S40 WeakPolarHBondContact O-CB 3.39Å; E36-S40 PolarHBondContact O-N 2.61Å; E36-S40 PolarHBondContact O-OG 2.82Å; S40-F42 VanDerWaalsContact C-N 3.34Å; S40-F42 PolarHBondContact O-N 3.24Å; S40-V43 PolarHBondContact O-N 3.23Å; S40-I44 WeakPolarHBondContact O-CG1 3.28Å; S40-I44 PolarHBondContact O-N 3.08Å; S40-I44 VanDerWaalsContact O-N 3.09Å; S40-C205 PolarHBondContact OG-SG 2.95Å |
| 41 | R | 94.5 | Very high | 92.6 | Very high | 178 Ų | 178 | 66.7 Ų | 66.7 | 67% | 0.672 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -63 | -40.4 | 172.8 | -179.8 | 175.2 | 170.7 | 147.4 | -0.8 | 111.9 | K37 I38 L39 V43 I44 L45 | K37-R41 WeakPolarHBondContact O-CB 3.17Å; K37-R41 PolarHBondContact O-N 3.3Å; K37-R41 VanDerWaalsContact O-N 3.11Å; I38-R41 PolarHBondContact O-N 2.88Å; L39-R41 VanDerWaalsContact C-N 3.27Å; L39-R41 PolarHBondContact O-N 3.47Å; R41-V43 VanDerWaalsContact C-N 3.35Å; R41-I44 PolarHBondContact O-N 3.14Å; R41-L45 HydrophobicContact CG-CD1 4.38Å; R41-L45 WeakPolarHBondContact O-CG 3.31Å; R41-L45 PolarHBondContact O-N 3.33Å; R41-L45 VanDerWaalsContact O-N 3.08Å |
| 42 | F | 94.6 | Very high | 92.5 | Very high | 30 Ų | 30 | 67.9 Ų | 67.9 | 13% | 0.132 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -63.1 | -41.7 | 176.5 | -172.2 | -84.2 | 0 | 0 | 0 | 111.7 | T18 L22 I38 L39 S40 I44 L45 W46 L70 | T18-F42 HydrophobicContact CG2-CE2 4.07Å; T18-F42 HydrophobicContact CG2-CZ 4.5Å; L22-F42 HydrophobicContact CD1-CB 4.16Å; L22-F42 HydrophobicContact CD1-CD2 4.06Å; L22-F42 HydrophobicContact CD1-CG 4.19Å; L22-F42 HydrophobicContact CD2-CB 4.34Å; L22-F42 HydrophobicContact CD2-CD1 3.86Å; L22-F42 HydrophobicContact CD2-CD2 3.83Å; L22-F42 HydrophobicContact CD2-CE1 4.13Å; L22-F42 HydrophobicContact CD2-CE2 4.06Å; L22-F42 HydrophobicContact CD2-CG 3.72Å; L22-F42 HydrophobicContact CD2-CZ 4.21Å; L22-F42 HydrophobicContact CG-CD2 4.36Å; I38-F42 PolarHBondContact O-N 2.82Å; I38-F42 VanDerWaalsContact O-N 3.12Å; L39-F42 WeakPolarHBondContact O-CA 3.42Å; L39-F42 WeakPolarHBondContact O-CB 3.16Å; L39-F42 PolarHBondContact O-N 3.29Å; S40-F42 VanDerWaalsContact C-N 3.34Å; S40-F42 PolarHBondContact O-N 3.24Å; F42-I44 PolarHBondContact O-N 3.11Å; F42-L45 PolarHBondContact O-N 3.31Å; F42-W46 HydrophobicContact CE1-CE3 4.2Å; F42-W46 PolarHBondContact O-N 2.93Å; F42-L70 HydrophobicContact CD1-CD2 4.14Å; F42-L70 HydrophobicContact CE1-CD2 3.47Å; F42-L70 VanDerWaalsContact CE1-CD2 3.47Å; F42-L70 HydrophobicContact CZ-CD2 4.37Å |
| 43 | V | 93.1 | Very high | 92.2 | Very high | 6 Ų | 6 | 66.6 Ų | 66.6 | 4% | 0.036 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -60.1 | -43.5 | 175.9 | 174.7 | 0 | 0 | 0 | 0 | 111.4 | L39 S40 R41 L45 W46 E47 R64 L67 | L39-V43 WeakPolarHBondContact O-CG2 3.31Å; L39-V43 PolarHBondContact O-N 3.23Å; S40-V43 PolarHBondContact O-N 3.23Å; R41-V43 VanDerWaalsContact C-N 3.35Å; V43-L45 VanDerWaalsContact C-N 3.35Å; V43-L45 PolarHBondContact O-N 3.47Å; V43-W46 WeakPolarHBondContact O-CB 3.07Å; V43-W46 PolarHBondContact O-N 3.5Å; V43-E47 WeakPolarHBondContact O-CB 3.04Å; V43-E47 PolarHBondContact O-N 3.37Å; V43-R64 HydrophobicContact CG1-CG 4.33Å; V43-L67 HydrophobicContact CG2-CD2 4.02Å |
| 44 | I | 91.5 | Very high | 90.8 | Very high | 92 Ų | 92 | 66.8 Ų | 66.8 | 47% | 0.472 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -62.8 | -41.4 | 176.6 | -66.7 | 164.8 | 0 | 0 | 0 | 111.4 | S40 R41 F42 E47 T48 | S40-I44 WeakPolarHBondContact O-CG1 3.28Å; S40-I44 PolarHBondContact O-N 3.08Å; S40-I44 VanDerWaalsContact O-N 3.09Å; R41-I44 PolarHBondContact O-N 3.14Å; F42-I44 PolarHBondContact O-N 3.11Å; I44-E47 PolarHBondContact O-N 3.4Å; I44-T48 WeakPolarHBondContact O-CB 3.49Å; I44-T48 PolarHBondContact O-N 3.04Å; I44-T48 PolarHBondContact O-OG1 3.04Å |
| 45 | L | 92.8 | Very high | 89.3 | Confident | 85 Ų | 85 | 65.3 Ų | 65.3 | 45% | 0.445 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -64.7 | -40.9 | 177.2 | -71.2 | 171.6 | 0 | 0 | 0 | 111.8 | R41 F42 V43 T48 Q49 | R41-L45 HydrophobicContact CG-CD1 4.38Å; R41-L45 WeakPolarHBondContact O-CG 3.31Å; R41-L45 PolarHBondContact O-N 3.33Å; R41-L45 VanDerWaalsContact O-N 3.08Å; F42-L45 PolarHBondContact O-N 3.31Å; V43-L45 VanDerWaalsContact C-N 3.35Å; V43-L45 PolarHBondContact O-N 3.47Å; L45-T48 PolarHBondContact O-N 3.16Å; L45-Q49 WeakPolarHBondContact O-CG 3.27Å; L45-Q49 PolarHBondContact O-N 3.47Å |
| 46 | W | 92.6 | Very high | 87.6 | Confident | 4 Ų | 4 | 72.3 Ų | 72.3 | 2% | 0.015 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -59.2 | -48.8 | 173.6 | -179.4 | -78.6 | 0 | 0 | 0 | 111.4 | I10 A11 V14 F42 V43 T48 Q49 Y50 S66 L67 L70 | I10-W46 HydrophobicContact CB-CZ2 4.25Å; I10-W46 HydrophobicContact CD1-CD2 3.85Å; I10-W46 HydrophobicContact CD1-CG 4.01Å; I10-W46 HydrophobicContact CD1-CZ2 4.23Å; I10-W46 WeakPolarHBondContact CD1-O 3.47Å; I10-W46 HydrophobicContact CG1-CD2 4.31Å; I10-W46 HydrophobicContact CG1-CH2 4.34Å; I10-W46 HydrophobicContact CG1-CZ2 3.96Å; I10-W46 HydrophobicContact CG2-CH2 4.16Å; I10-W46 HydrophobicContact CG2-CZ2 3.31Å; A11-W46 HydrophobicContact CB-CH2 4.2Å; V14-W46 HydrophobicContact CB-CZ3 4.16Å; V14-W46 HydrophobicContact CG1-CZ3 4.23Å; V14-W46 HydrophobicContact CG2-CE3 4.14Å; V14-W46 HydrophobicContact CG2-CH2 4.39Å; V14-W46 HydrophobicContact CG2-CZ3 3.72Å; F42-W46 HydrophobicContact CE1-CE3 4.2Å; F42-W46 PolarHBondContact O-N 2.93Å; V43-W46 WeakPolarHBondContact O-CB 3.07Å; V43-W46 PolarHBondContact O-N 3.5Å; W46-T48 VanDerWaalsContact C-N 3.32Å; W46-T48 PolarHBondContact O-N 3.44Å; W46-Q49 PolarHBondContact O-N 3.29Å; W46-Y50 WeakPolarHBondContact O-CB 3.18Å; W46-Y50 PolarHBondContact O-N 2.87Å; W46-S66 WeakPolarHBondContact CZ2-O 3.18Å; W46-S66 PolarHBondContact NE1-OG 2.87Å; W46-L67 HydrophobicContact CB-CD1 3.97Å; W46-L67 HydrophobicContact CD2-CD1 3.34Å; W46-L67 HydrophobicContact CE3-CD1 3.89Å; W46-L67 HydrophobicContact CG-CD1 3.37Å; W46-L67 HydrophobicContact CZ2-CD1 4.21Å; W46-L70 HydrophobicContact CE3-CD2 4.23Å; W46-L70 HydrophobicContact CH2-CB 4.24Å; W46-L70 HydrophobicContact CZ3-CB 4.35Å; W46-L70 HydrophobicContact CZ3-CD1 4.41Å; W46-L70 HydrophobicContact CZ3-CD2 4.22Å |
| 47 | E | 89.2 | Confident | 86.3 | Confident | 35 Ų | 35 | 71.6 Ų | 71.6 | 16% | 0.164 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -60.2 | -41.5 | 177.7 | -179.5 | 164.9 | -139.7 | 0 | 0 | 111.8 | V43 I44 Y50 L51 R64 | V43-E47 WeakPolarHBondContact O-CB 3.04Å; V43-E47 PolarHBondContact O-N 3.37Å; I44-E47 PolarHBondContact O-N 3.4Å; E47-Y50 WeakPolarHBondContact O-CB 3.13Å; E47-Y50 PolarHBondContact O-N 3.4Å; E47-L51 HydrophobicContact CG-CD1 4.48Å; E47-L51 WeakPolarHBondContact O-CG 3.03Å; E47-L51 PolarHBondContact O-N 3.32Å; E47-R64 IonicContact OE1-NE 2.75Å; E47-R64 IonicContact OE2-CZ 3.05Å; E47-R64 IonicContact OE2-NE 2.61Å; E47-R64 PolarHBondContact OE2-NE 3.35Å; E47-R64 IonicContact OE2-NH2 3.45Å |
| 48 | T | 89 | Confident | 85.5 | Confident | 82 Ų | 82 | 72.3 Ų | 72.3 | 50% | 0.503 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -63.3 | -44.6 | 176.2 | -54 | 0 | 0 | 0 | 0 | 111.7 | I44 L45 W46 Y50 L51 A52 | I44-T48 WeakPolarHBondContact O-CB 3.49Å; I44-T48 PolarHBondContact O-N 3.04Å; I44-T48 PolarHBondContact O-OG1 3.04Å; L45-T48 PolarHBondContact O-N 3.16Å; W46-T48 VanDerWaalsContact C-N 3.32Å; W46-T48 PolarHBondContact O-N 3.44Å; T48-Y50 VanDerWaalsContact C-N 3.32Å; T48-Y50 PolarHBondContact O-N 3.28Å; T48-L51 PolarHBondContact O-N 3.06Å; T48-A52 PolarHBondContact O-N 2.75Å |
| 49 | Q | 90.3 | Very high | 84.8 | Confident | 105 Ų | 105 | 74.6 Ų | 74.6 | 49% | 0.491 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -66.1 | -36.1 | 176.8 | -73.9 | -176.4 | 5.8 | 0 | 0 | 112.2 | I10 L45 W46 A52 | I10-Q49 HydrophobicContact CD1-CB 4.24Å; L45-Q49 WeakPolarHBondContact O-CG 3.27Å; L45-Q49 PolarHBondContact O-N 3.47Å; W46-Q49 PolarHBondContact O-N 3.29Å; Q49-A52 PolarHBondContact O-N 2.97Å |
| 50 | Y | 90.1 | Very high | 84.1 | Confident | 3 Ų | 3 | 77.4 Ų | 77.4 | 1% | 0.012 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -61.2 | -46.5 | 175.7 | 173.5 | -92.3 | 0 | 0 | 0 | 111.6 | E6 I10 W46 E47 T48 A52 L53 S66 | E6-Y50 HydrophobicContact CB-CE2 4.45Å; E6-Y50 WeakPolarHBondContact OE2-CE2 3.4Å; E6-Y50 VanDerWaalsContact OE2-CZ 3.27Å; E6-Y50 PolarHBondContact OE2-OH 3.2Å; I10-Y50 HydrophobicContact CB-CD2 4.47Å; I10-Y50 HydrophobicContact CG2-CD2 4.44Å; W46-Y50 WeakPolarHBondContact O-CB 3.18Å; W46-Y50 PolarHBondContact O-N 2.87Å; E47-Y50 WeakPolarHBondContact O-CB 3.13Å; E47-Y50 PolarHBondContact O-N 3.4Å; T48-Y50 VanDerWaalsContact C-N 3.32Å; T48-Y50 PolarHBondContact O-N 3.28Å; Y50-A52 PolarHBondContact O-N 2.78Å; Y50-L53 WeakPolarHBondContact O-CB 3.4Å; Y50-L53 PolarHBondContact O-N 3.31Å; Y50-L53 VanDerWaalsContact O-N 3.09Å; Y50-S66 WeakPolarHBondContact CD2-OG 3.16Å |
| 51 | L | 86.4 | Confident | 83.6 | Confident | 107 Ų | 107 | 75.5 Ų | 75.5 | 56% | 0.56 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -65.9 | -25.1 | 179.8 | -68.7 | 171.7 | 0 | 0 | 0 | 112.8 | E47 T48 L53 | E47-L51 HydrophobicContact CG-CD1 4.48Å; E47-L51 WeakPolarHBondContact O-CG 3.03Å; E47-L51 PolarHBondContact O-N 3.32Å; T48-L51 PolarHBondContact O-N 3.06Å; L51-L53 VanDerWaalsContact C-N 3.25Å; L51-L53 PolarHBondContact O-N 2.72Å |
| 52 | A | 88 | Confident | 83.2 | Confident | 73 Ų | 73 | 67 Ų | 67 | 60% | 0.603 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.5 | -9.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | T48 Q49 Y50 D54 | T48-A52 PolarHBondContact O-N 2.75Å; Q49-A52 PolarHBondContact O-N 2.97Å; Y50-A52 PolarHBondContact O-N 2.78Å; A52-D54 VanDerWaalsContact C-N 3.28Å; A52-D54 PolarHBondContact O-N 2.75Å; A52-D54 VanDerWaalsContact O-N 3.12Å |
| 53 | L | 84.2 | Confident | 82.9 | Confident | 52 Ų | 52 | 65.8 Ų | 65.8 | 27% | 0.272 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -86.4 | 65.1 | 176.8 | -61.9 | 168.7 | 0 | 0 | 0 | 110.4 | I10 Y50 L51 S55 | I10-L53 HydrophobicContact CB-CD1 4.08Å; I10-L53 HydrophobicContact CG1-CD1 4.47Å; Y50-L53 WeakPolarHBondContact O-CB 3.4Å; Y50-L53 PolarHBondContact O-N 3.31Å; Y50-L53 VanDerWaalsContact O-N 3.09Å; L51-L53 VanDerWaalsContact C-N 3.25Å; L51-L53 PolarHBondContact O-N 2.72Å; L53-S55 PolarHBondContact O-N 2.91Å; L53-S55 PolarHBondContact O-OG 3.03Å |
| 54 | D | 64.7 | Low | 82.8 | Confident | 169 Ų | 169 | 66.9 Ų | 66.9 | 90% | 0.904 | 36% | 0.359 | S | S | * | . | S | Bend | trans | 30.7 | 38 | 165.4 | -71.6 | -27.7 | 0 | 0 | 0 | 118.9 | A52 | A52-D54 VanDerWaalsContact C-N 3.28Å; A52-D54 PolarHBondContact O-N 2.75Å; A52-D54 VanDerWaalsContact O-N 3.12Å |
| 55 | S | 62.3 | Low | 82.8 | Confident | 41 Ų | 41 | 62.5 Ų | 62.5 | 29% | 0.287 | 34% | 0.336 | S | S | . | . | trans | -151.4 | 119.8 | 176.8 | 46.7 | 0 | 0 | 0 | 0 | 111.4 | R9 L53 S57 | R9-S55 VanDerWaalsContact CZ-OG 3.27Å; R9-S55 PolarHBondContact NH1-OG 3.36Å; R9-S55 PolarHBondContact NH2-OG 3.35Å; L53-S55 PolarHBondContact O-N 2.91Å; L53-S55 PolarHBondContact O-OG 3.03Å; S55-S57 PolarHBondContact O-N 3.42Å | ||
| 56 | I | 61.8 | Low | 82.8 | Confident | 172 Ų | 172 | 58.5 Ų | 58.5 | 88% | 0.882 | 32% | 0.315 | S | S | * | . | trans | -68.2 | 99 | 168.2 | -60.1 | 171.9 | 0 | 0 | 0 | 106.4 | Q58 | I56-Q58 PolarHBondContact O-N 2.97Š| ||
| 57 | S | 66.8 | Low | 82.9 | Confident | 27 Ų | 27 | 58.4 Ų | 58.4 | 19% | 0.189 | 32% | 0.315 | C | S | . | . | trans | -58.2 | 124.8 | 171.7 | 162.6 | 0 | 0 | 0 | 0 | 109 | S55 Y59 | S55-S57 PolarHBondContact O-N 3.42Å; S57-Y59 PolarHBondContact O-N 3.46Å; S57-Y59 VanDerWaalsContact O-N 3.14Å; S57-Y59 PolarHBondContact OG-N 3.25Å; S57-Y59 VanDerWaalsContact OG-N 3.1Å; S57-Y59 PolarHBondContact OG-O 3.44Å; S57-Y59 VanDerWaalsContact OG-O 3.06Å | ||
| 58 | Q | 77.9 | Confident | 83.3 | Confident | 183 Ų | 183 | 57 Ų | 57 | 86% | 0.855 | 31% | 0.308 | S | S | * | . | S | Bend | trans | -64.3 | -13.3 | 172.9 | -64.8 | 175.9 | -0.7 | 0 | 0 | 112.5 | I56 | I56-Q58 PolarHBondContact O-N 2.97Š|
| 59 | Y | 81.7 | Confident | 83.6 | Confident | 78 Ų | 78 | 53.5 Ų | 53.5 | 31% | 0.306 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -95.5 | 128.4 | -178.2 | -59.8 | -81.3 | 0 | 0 | 0 | 111.5 | M1 S57 C61 G62 A228 N229 | M1-Y59 VanDerWaalsContact CA-CE2 3.47Å; M1-Y59 VanDerWaalsContact CA-OH 3.28Å; M1-Y59 WeakPolarHBondContact CA-OH 3.33Å; M1-Y59 HydrophobicContact CB-CD1 4Å; M1-Y59 HydrophobicContact CB-CD2 3.66Å; M1-Y59 HydrophobicContact CB-CE1 3.84Å; M1-Y59 HydrophobicContact CB-CE2 3.5Å; M1-Y59 HydrophobicContact CB-CG 3.91Å; M1-Y59 HydrophobicContact CG-CD2 3.73Å; M1-Y59 HydrophobicContact CG-CE2 3.83Å; M1-Y59 HydrophobicContact CG-CG 4.27Å; M1-Y59 PolarHBondContact N-OH 2.92Å; M1-Y59 HydrophobicContact SD-CD2 4.07Å; M1-Y59 HydrophobicContact SD-CG 4.24Å; S57-Y59 PolarHBondContact O-N 3.46Å; S57-Y59 VanDerWaalsContact O-N 3.14Å; S57-Y59 PolarHBondContact OG-N 3.25Å; S57-Y59 VanDerWaalsContact OG-N 3.1Å; S57-Y59 PolarHBondContact OG-O 3.44Å; S57-Y59 VanDerWaalsContact OG-O 3.06Å; Y59-C61 PolarHBondContact O-N 3.01Å; Y59-C61 VanDerWaalsContact O-N 3.16Å; Y59-G62 PolarHBondContact O-N 3.4Å; Y59-G62 VanDerWaalsContact O-N 3.13Å; Y59-A228 WeakPolarHBondContact CB-O 3.43Å; Y59-A228 HydrophobicContact CD1-CB 4.23Å; Y59-A228 HydrophobicContact CG-CB 4.33Å; Y59-N229 WeakPolarHBondContact CD1-OD1 3.32Å |
| 60 | P | 79.9 | Confident | 83.8 | Confident | 62 Ų | 62 | 48.5 Ų | 48.5 | 40% | 0.403 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -27.3 | -174 | 24 | -35.3 | 0 | 0 | 0 | 114 | A228 P231 | P60-A228 WeakPolarHBondContact CD-O 3.34Å; P60-A228 WeakPolarHBondContact CG-O 3.31Å; P60-P231 HydrophobicContact CB-CG 4.38Å; P60-P231 HydrophobicContact CG-CG 4.48Å |
| 61 | C | 83.9 | Confident | 84.1 | Confident | 1 Ų | 1 | 48.4 Ų | 48.4 | 1% | 0.007 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -125.8 | 33.1 | 176 | -86.2 | 0 | 0 | 0 | 0 | 112.2 | Y59 G63 R64 A65 I227 A228 I230 S232 | Y59-C61 PolarHBondContact O-N 3.01Å; Y59-C61 VanDerWaalsContact O-N 3.16Å; C61-G63 VanDerWaalsContact C-N 3.25Å; C61-G63 PolarHBondContact O-N 3.06Å; C61-R64 PolarHBondContact O-N 3.49Å; C61-A65 PolarHBondContact O-N 3.48Å; C61-I227 WeakPolarHBondContact CB-O 3.34Å; C61-A228 PolarHBondContact N-O 3.01Å; C61-I230 WeakPolarHBondContact CB-O 3.48Å; C61-I230 PolarHBondContact SG-O 3.08Å; C61-S232 PolarHBondContact SG-N 3.11Å |
| 62 | G | 85.4 | Confident | 84.5 | Confident | 1 Ų | 1 | 43.9 Ų | 43.9 | 1% | 0.01 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -55.7 | -38.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | M1 Y59 R64 A65 S66 | M1-G62 WeakPolarHBondContact CE-O 3.49Å; Y59-G62 PolarHBondContact O-N 3.4Å; Y59-G62 VanDerWaalsContact O-N 3.13Å; G62-R64 PolarHBondContact O-N 3.2Å; G62-A65 PolarHBondContact O-N 2.78Å; G62-S66 PolarHBondContact O-N 3.37Å |
| 63 | G | 88.4 | Confident | 84.8 | Confident | 4 Ų | 4 | 40.4 Ų | 40.4 | 4% | 0.041 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -61.1 | -42 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | C61 S66 | C61-G63 VanDerWaalsContact C-N 3.25Å; C61-G63 PolarHBondContact O-N 3.06Å; G63-S66 PolarHBondContact O-OG 2.94Å |
| 64 | R | 91.1 | Very high | 85.3 | Confident | 29 Ų | 29 | 38 Ų | 38 | 11% | 0.109 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -69.6 | -48 | 171.9 | -69.5 | 179.6 | -175.2 | -178.6 | -0.7 | 111.3 | V43 E47 C61 G62 S66 L67 F206 S232 | V43-R64 HydrophobicContact CG1-CG 4.33Å; E47-R64 IonicContact OE1-NE 2.75Å; E47-R64 IonicContact OE2-CZ 3.05Å; E47-R64 IonicContact OE2-NE 2.61Å; E47-R64 PolarHBondContact OE2-NE 3.35Å; E47-R64 IonicContact OE2-NH2 3.45Å; C61-R64 PolarHBondContact O-N 3.49Å; G62-R64 PolarHBondContact O-N 3.2Å; R64-S66 PolarHBondContact O-N 3.33Å; R64-S66 VanDerWaalsContact O-N 3.08Å; R64-L67 WeakPolarHBondContact O-CB 3.47Å; R64-L67 PolarHBondContact O-N 3.36Å; R64-F206 HydrophobicContact CB-CE2 3.84Å; R64-F206 HydrophobicContact CB-CZ 4.43Å; R64-F206 WeakPolarHBondContact O-CE2 3.27Å; R64-S232 PolarHBondContact NH1-OG 2.92Å; R64-S232 VanDerWaalsContact NH1-OG 3.09Å; R64-S232 PolarHBondContact NH2-OG 2.86Å |
| 65 | A | 91.7 | Very high | 86.7 | Confident | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -54.9 | -32.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | M1 C61 G62 L67 Y68 C224 A228 | M1-A65 HydrophobicContact CE-CB 4.46Å; M1-A65 HydrophobicContact SD-CB 3.77Å; C61-A65 PolarHBondContact O-N 3.48Å; G62-A65 PolarHBondContact O-N 2.78Å; A65-L67 PolarHBondContact O-N 3.17Å; A65-L67 VanDerWaalsContact O-N 3.08Å; A65-Y68 PolarHBondContact O-N 3.36Å; A65-C224 VanDerWaalsContact CB-O 3.32Å; A65-C224 WeakPolarHBondContact CB-O 3.29Å; A65-A228 HydrophobicContact CB-CB 3.62Å |
| 66 | S | 93.6 | Very high | 88.1 | Confident | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -9.4 | 173.9 | 81.1 | 0 | 0 | 0 | 0 | 114.7 | S7 W46 Y50 G62 G63 R64 Y68 | S7-S66 WeakPolarHBondContact CA-O 3.32Å; S7-S66 WeakPolarHBondContact CB-O 3.45Å; S7-S66 PolarHBondContact OG-O 3.37Å; W46-S66 WeakPolarHBondContact CZ2-O 3.18Å; W46-S66 PolarHBondContact NE1-OG 2.87Å; Y50-S66 WeakPolarHBondContact CD2-OG 3.16Å; G62-S66 PolarHBondContact O-N 3.37Å; G63-S66 PolarHBondContact O-OG 2.94Å; R64-S66 PolarHBondContact O-N 3.33Å; R64-S66 VanDerWaalsContact O-N 3.08Å; S66-Y68 PolarHBondContact O-N 2.86Å |
| 67 | L | 94.6 | Very high | 89.4 | Confident | 2 Ų | 2 | 23.3 Ų | 23.3 | 1% | 0.01 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -4.7 | 177.2 | -156.9 | 73.4 | 0 | 0 | 0 | 113.2 | V43 W46 R64 A65 L69 L70 L71 F206 | V43-L67 HydrophobicContact CG2-CD2 4.02Å; W46-L67 HydrophobicContact CB-CD1 3.97Å; W46-L67 HydrophobicContact CD2-CD1 3.34Å; W46-L67 HydrophobicContact CE3-CD1 3.89Å; W46-L67 HydrophobicContact CG-CD1 3.37Å; W46-L67 HydrophobicContact CZ2-CD1 4.21Å; R64-L67 WeakPolarHBondContact O-CB 3.47Å; R64-L67 PolarHBondContact O-N 3.36Å; A65-L67 PolarHBondContact O-N 3.17Å; A65-L67 VanDerWaalsContact O-N 3.08Å; L67-L69 PolarHBondContact O-N 3.48Å; L67-L70 HydrophobicContact CD1-CB 4.17Å; L67-L70 HydrophobicContact CD1-CD2 3.55Å; L67-L70 HydrophobicContact CG-CB 4.15Å; L67-L70 HydrophobicContact CG-CD2 4.1Å; L67-L70 CarbonylContact O-C 3.54Å; L67-L70 WeakPolarHBondContact O-CA 3.41Å; L67-L70 WeakPolarHBondContact O-CB 3.33Å; L67-L70 PolarHBondContact O-N 3.21Å; L67-L71 HydrophobicContact CB-CD1 4.46Å; L67-L71 HydrophobicContact CB-CG 4.41Å; L67-L71 HydrophobicContact CD2-CD2 4.13Å; L67-L71 HydrophobicContact CD2-CG 4.07Å; L67-L71 HydrophobicContact CG-CG 4.21Å; L67-L71 PolarHBondContact O-N 3.1Å; L67-F206 HydrophobicContact CB-CD2 4.48Å; L67-F206 HydrophobicContact CB-CE2 4.09Å; L67-F206 HydrophobicContact CD2-CD2 3.64Å; L67-F206 HydrophobicContact CD2-CE2 4.1Å |
| 68 | Y | 96.7 | Very high | 90.6 | Very high | 6 Ų | 6 | 23.9 Ų | 23.9 | 2% | 0.024 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -43.3 | -55.9 | -175.4 | 170.2 | -115.2 | 0 | 0 | 0 | 114.5 | V3 I4 A65 S66 L70 L71 R72 S81 L220 L221 | V3-Y68 VanDerWaalsContact CG1-CB 3.46Å; V3-Y68 HydrophobicContact CG1-CD1 4.16Å; V3-Y68 HydrophobicContact CG1-CD2 4.49Å; V3-Y68 HydrophobicContact CG1-CG 3.8Å; I4-Y68 HydrophobicContact CG1-CE1 4.2Å; A65-Y68 PolarHBondContact O-N 3.36Å; S66-Y68 PolarHBondContact O-N 2.86Å; Y68-L70 PolarHBondContact O-N 2.81Å; Y68-L71 WeakPolarHBondContact O-CB 3.47Å; Y68-L71 PolarHBondContact O-N 3.34Å; Y68-R72 HydrophobicContact CD2-CG 4.33Å; Y68-R72 HydrophobicContact CE2-CG 3.93Å; Y68-R72 WeakPolarHBondContact O-CG 3.38Å; Y68-R72 PolarHBondContact O-N 3.08Å; Y68-S81 PolarHBondContact OH-OG 3.5Å; Y68-L220 HydrophobicContact CD2-CB 4.09Å; Y68-L220 HydrophobicContact CE2-CB 3.95Å; Y68-L221 HydrophobicContact CD2-CB 4.48Å; Y68-L221 HydrophobicContact CE1-CD1 4.29Å; Y68-L221 HydrophobicContact CE2-CB 3.76Å; Y68-L221 HydrophobicContact CE2-CD1 4.29Å |
| 69 | L | 96.2 | Very high | 91.3 | Very high | 9 Ų | 9 | 15.4 Ų | 15.4 | 5% | 0.047 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -61.9 | -28.7 | -180 | -72.2 | -179 | 0 | 0 | 0 | 113.5 | S7 A11 L67 L73 K147 N150 | S7-L69 WeakPolarHBondContact OG-CB 3.2Å; S7-L69 WeakPolarHBondContact OG-CG 3.45Å; S7-L69 PolarHBondContact OG-N 3.44Å; A11-L69 HydrophobicContact CB-CB 4.32Å; A11-L69 HydrophobicContact CB-CD1 3.82Å; L67-L69 PolarHBondContact O-N 3.48Å; L69-L73 WeakPolarHBondContact O-CG 3.31Å; L69-K147 HydrophobicContact CD1-CG 4.47Å; L69-N150 HydrophobicContact CD2-CB 4.03Å; L69-N150 PolarHBondContact O-ND2 2.86Å |
| 70 | L | 95 | Very high | 91.7 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -78.3 | -39.1 | 173.9 | -166.6 | 78 | 0 | 0 | 0 | 111.3 | Y19 F42 W46 L67 Y68 R72 L73 L74 V146 | Y19-L70 HydrophobicContact CD2-CD1 3.5Å; Y19-L70 VanDerWaalsContact CD2-CD1 3.5Å; Y19-L70 HydrophobicContact CD2-CG 4.38Å; Y19-L70 HydrophobicContact CE2-CD1 4.17Å; Y19-L70 HydrophobicContact CG-CD1 4.28Å; F42-L70 HydrophobicContact CD1-CD2 4.14Å; F42-L70 HydrophobicContact CE1-CD2 3.47Å; F42-L70 VanDerWaalsContact CE1-CD2 3.47Å; F42-L70 HydrophobicContact CZ-CD2 4.37Å; W46-L70 HydrophobicContact CE3-CD2 4.23Å; W46-L70 HydrophobicContact CH2-CB 4.24Å; W46-L70 HydrophobicContact CZ3-CB 4.35Å; W46-L70 HydrophobicContact CZ3-CD1 4.41Å; W46-L70 HydrophobicContact CZ3-CD2 4.22Å; L67-L70 HydrophobicContact CD1-CB 4.17Å; L67-L70 HydrophobicContact CD1-CD2 3.55Å; L67-L70 HydrophobicContact CG-CB 4.15Å; L67-L70 HydrophobicContact CG-CD2 4.1Å; L67-L70 CarbonylContact O-C 3.54Å; L67-L70 WeakPolarHBondContact O-CA 3.41Å; L67-L70 WeakPolarHBondContact O-CB 3.33Å; L67-L70 PolarHBondContact O-N 3.21Å; Y68-L70 PolarHBondContact O-N 2.81Å; L70-R72 VanDerWaalsContact C-N 3.29Å; L70-R72 PolarHBondContact O-N 3.4Å; L70-L73 CarbonylContact O-C 3.59Å; L70-L73 WeakPolarHBondContact O-CA 3.49Å; L70-L73 WeakPolarHBondContact O-CB 3.44Å; L70-L73 PolarHBondContact O-N 3.31Å; L70-L74 HydrophobicContact CD2-CD1 4.06Å; L70-L74 HydrophobicContact CG-CD1 4.1Å; L70-L74 HydrophobicContact CG-CG 4.4Å; L70-L74 PolarHBondContact O-N 3.37Å; L70-V146 HydrophobicContact CD1-CG1 4.09Å; L70-V146 HydrophobicContact CD1-CG2 4.22Å |
| 71 | L | 95.4 | Very high | 92.2 | Very high | 1 Ų | 1 | 14.9 Ų | 14.9 | 1% | 0.005 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -60.5 | -38.9 | 175.9 | -74.5 | 173.3 | 0 | 0 | 0 | 111.6 | L67 Y68 L73 L74 I75 I202 F206 L220 | L67-L71 HydrophobicContact CB-CD1 4.46Å; L67-L71 HydrophobicContact CB-CG 4.41Å; L67-L71 HydrophobicContact CD2-CD2 4.13Å; L67-L71 HydrophobicContact CD2-CG 4.07Å; L67-L71 HydrophobicContact CG-CG 4.21Å; L67-L71 PolarHBondContact O-N 3.1Å; Y68-L71 WeakPolarHBondContact O-CB 3.47Å; Y68-L71 PolarHBondContact O-N 3.34Å; L71-L73 PolarHBondContact O-N 2.92Å; L71-L73 VanDerWaalsContact O-N 3.1Å; L71-L74 HydrophobicContact CD2-CD1 4.49Å; L71-L74 PolarHBondContact O-N 3.44Å; L71-L74 VanDerWaalsContact O-N 3.12Å; L71-I75 HydrophobicContact CD2-CD1 4.25Å; L71-I75 WeakPolarHBondContact O-CG1 3.26Å; L71-I75 PolarHBondContact O-N 2.94Å; L71-I202 HydrophobicContact CD2-CG2 4.26Å; L71-F206 HydrophobicContact CD1-CD1 4.17Å; L71-F206 HydrophobicContact CD1-CD2 4.13Å; L71-F206 HydrophobicContact CD1-CE1 4.07Å; L71-F206 HydrophobicContact CD1-CE2 4.03Å; L71-F206 HydrophobicContact CD1-CG 4.2Å; L71-F206 HydrophobicContact CD1-CZ 4Å; L71-F206 HydrophobicContact CD2-CB 4.5Å; L71-F206 HydrophobicContact CD2-CG 4.44Å; L71-L220 HydrophobicContact CB-CD1 4.16Å |
| 72 | R | 95 | Very high | 92.5 | Very high | 11 Ų | 11 | 15.6 Ų | 15.6 | 4% | 0.042 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -55 | -26.9 | 172.3 | -66.2 | 174.6 | 77.9 | -166.5 | 4.2 | 113.1 | Y68 L70 P76 D79 R82 D154 L220 | Y68-R72 HydrophobicContact CD2-CG 4.33Å; Y68-R72 HydrophobicContact CE2-CG 3.93Å; Y68-R72 WeakPolarHBondContact O-CG 3.38Å; Y68-R72 PolarHBondContact O-N 3.08Å; L70-R72 VanDerWaalsContact C-N 3.29Å; L70-R72 PolarHBondContact O-N 3.4Å; R72-P76 VanDerWaalsContact O-CA 3.29Å; R72-P76 WeakPolarHBondContact O-CA 3.26Å; R72-P76 WeakPolarHBondContact O-CB 3.41Å; R72-D79 HydrophobicContact CG-CB 4.43Å; R72-D79 IonicContact CZ-OD2 3.3Å; R72-D79 IonicContact NE-OD1 2.94Å; R72-D79 IonicContact NE-OD2 3.56Å; R72-D79 PolarHBondContact NE-OD2 3.35Å; R72-D79 IonicContact NH2-OD2 3.09Å; R72-D79 PolarHBondContact NH2-OD2 3.22Å; R72-R82 VanDerWaalsContact CZ-NH2 3.27Å; R72-D154 IonicContact CZ-OD1 3.33Å; R72-D154 IonicContact CZ-OD2 3.91Å; R72-D154 IonicContact NH1-OD1 3.04Å; R72-D154 IonicContact NH1-OD2 3.66Å; R72-D154 PolarHBondContact NH1-OD2 3.25Å; R72-D154 IonicContact NH2-OD1 2.77Å; R72-D154 PolarHBondContact NH2-OD1 3.4Å; R72-D154 IonicContact NH2-OD2 2.84Å; R72-D154 PolarHBondContact NH2-OD2 2.98Å; R72-L220 HydrophobicContact CG-CD1 4.23Å |
| 73 | L | 94.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -95.2 | -32.1 | 177.3 | -50.8 | 176.8 | 0 | 0 | 0 | 112.4 | Y19 L69 L70 L71 P76 V146 L149 L153 L187 | Y19-L73 HydrophobicContact CE1-CB 4.34Å; Y19-L73 HydrophobicContact CE1-CD1 4.47Å; Y19-L73 HydrophobicContact CE2-CB 3.75Å; Y19-L73 HydrophobicContact CE2-CD1 4.43Å; Y19-L73 VanDerWaalsContact OH-C 3.24Å; Y19-L73 VanDerWaalsContact OH-CB 3.28Å; Y19-L73 WeakPolarHBondContact OH-CB 3.23Å; Y19-L73 PolarHBondContact OH-O 3.37Å; L69-L73 WeakPolarHBondContact O-CG 3.31Å; L70-L73 CarbonylContact O-C 3.59Å; L70-L73 WeakPolarHBondContact O-CA 3.49Å; L70-L73 WeakPolarHBondContact O-CB 3.44Å; L70-L73 PolarHBondContact O-N 3.31Å; L71-L73 PolarHBondContact O-N 2.92Å; L71-L73 VanDerWaalsContact O-N 3.1Å; L73-P76 WeakPolarHBondContact O-CD 3.45Å; L73-V146 HydrophobicContact CD1-CG1 4.01Å; L73-L149 HydrophobicContact CD1-CD2 3.84Å; L73-L149 HydrophobicContact CD2-CD2 4.25Å; L73-L153 HydrophobicContact CD2-CD1 3.67Å; L73-L187 HydrophobicContact CB-CD2 4.49Å; L73-L187 HydrophobicContact CD2-CD1 3.97Å; L73-L187 WeakPolarHBondContact O-CD2 3.13Å |
| 74 | L | 94.5 | Very high | 92.5 | Very high | 3 Ų | 3 | 25.3 Ų | 25.3 | 2% | 0.016 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -74.1 | -37.1 | 178.1 | -71.8 | 171.1 | 0 | 0 | 0 | 112.6 | Y19 L23 L39 L70 L71 P76 S193 I202 | Y19-L74 HydrophobicContact CE2-CD2 3.91Å; Y19-L74 HydrophobicContact CE2-CG 4.18Å; L23-L74 HydrophobicContact CD2-CD2 4.03Å; L39-L74 HydrophobicContact CD1-CD1 4.19Å; L70-L74 HydrophobicContact CD2-CD1 4.06Å; L70-L74 HydrophobicContact CG-CD1 4.1Å; L70-L74 HydrophobicContact CG-CG 4.4Å; L70-L74 PolarHBondContact O-N 3.37Å; L71-L74 HydrophobicContact CD2-CD1 4.49Å; L71-L74 PolarHBondContact O-N 3.44Å; L71-L74 VanDerWaalsContact O-N 3.12Å; L74-P76 VanDerWaalsContact C-CD 3.47Å; L74-S193 WeakPolarHBondContact O-CB 3.35Å; L74-S193 PolarHBondContact O-OG 2.91Å; L74-I202 HydrophobicContact CB-CG2 4.23Å |
| 75 | I | 93.7 | Very high | 92.3 | Very high | 5 Ų | 5 | 24.4 Ų | 24.4 | 3% | 0.026 | 13% | 0.133 | C | C | . | . | trans | -134.3 | 59.6 | -178.1 | 48.2 | 177.1 | 0 | 0 | 0 | 111.1 | L71 S77 H78 I202 L203 L220 | L71-I75 HydrophobicContact CD2-CD1 4.25Å; L71-I75 WeakPolarHBondContact O-CG1 3.26Å; L71-I75 PolarHBondContact O-N 2.94Å; I75-S77 PolarHBondContact O-N 3.38Å; I75-H78 HydrophobicContact CD1-CB 4.4Å; I75-H78 PolarHBondContact O-N 3.37Å; I75-I202 HydrophobicContact CD1-CG2 4.34Å; I75-I202 HydrophobicContact CG2-CB 3.88Å; I75-I202 HydrophobicContact CG2-CD1 3.43Å; I75-I202 VanDerWaalsContact CG2-CD1 3.43Å; I75-I202 HydrophobicContact CG2-CG1 4.22Å; I75-I202 HydrophobicContact CG2-CG2 3.87Å; I75-L203 HydrophobicContact CD1-CD2 3.73Å; I75-L203 HydrophobicContact CD1-CG 4.17Å; I75-L220 HydrophobicContact CD1-CD2 3.55Å; I75-L220 HydrophobicContact CG1-CD1 4.17Å; I75-L220 HydrophobicContact CG1-CD2 4.06Å | ||
| 76 | P | 92 | Very high | 91.9 | Very high | 11 Ų | 11 | 27.1 Ų | 27.1 | 7% | 0.071 | 16% | 0.161 | C | C | . | . | G | 310 helix | trans | -58.7 | -20 | -178.1 | 23.8 | -34.9 | 0 | 0 | 0 | 113.7 | R72 L73 L74 H78 D79 L187 R191 | R72-P76 VanDerWaalsContact O-CA 3.29Å; R72-P76 WeakPolarHBondContact O-CA 3.26Å; R72-P76 WeakPolarHBondContact O-CB 3.41Å; L73-P76 WeakPolarHBondContact O-CD 3.45Å; L74-P76 VanDerWaalsContact C-CD 3.47Å; P76-H78 PolarHBondContact O-N 2.9Å; P76-D79 PolarHBondContact O-N 3.33Å; P76-L187 HydrophobicContact CG-CD2 3.94Å; P76-R191 VanDerWaalsContact CG-C 3.48Å |
| 77 | S | 88.7 | Confident | 91.5 | Very high | 57 Ų | 57 | 27.7 Ų | 27.7 | 40% | 0.399 | 16% | 0.164 | S | C | . | . | G | 310 helix | trans | -65.1 | -16.9 | 171.9 | 61.3 | 0 | 0 | 0 | 0 | 114.2 | I75 R80 R191 | I75-S77 PolarHBondContact O-N 3.38Å; S77-R80 PolarHBondContact O-NH1 3.38Å; S77-R80 PolarHBondContact O-NH2 3.23Å; S77-R191 PolarHBondContact N-O 3.47Å |
| 78 | H | 92.1 | Very high | 90.8 | Very high | 39 Ų | 39 | 37.4 Ų | 37.4 | 18% | 0.181 | 20% | 0.2 | C | C | . | . | G | 310 helix | trans | -105.4 | -7.4 | 179.3 | -64 | 142.1 | 0 | 0 | 0 | 113.5 | I75 P76 R80 F214 L220 | I75-H78 HydrophobicContact CD1-CB 4.4Å; I75-H78 PolarHBondContact O-N 3.37Å; P76-H78 PolarHBondContact O-N 2.9Å; H78-R80 PolarHBondContact O-N 2.87Å; H78-F214 HydrophobicContact CB-CE2 3.9Å; H78-F214 HydrophobicContact CB-CZ 3.63Å; H78-F214 AromaticContact CD2-CE1 3.47Å; H78-F214 VanDerWaalsContact CD2-CE1 3.47Å; H78-F214 WeakPolarHBondContact CD2-CE1 3.32Å; H78-F214 AromaticContact CD2-CZ 3.25Å; H78-F214 WeakPolarHBondContact CD2-CZ 3.27Å; H78-F214 AromaticContact CG-CE1 3.95Å; H78-F214 AromaticContact CG-CZ 3.45Å; H78-F214 VanDerWaalsContact CG-CZ 3.45Å; H78-F214 AromaticContact NE2-CE1 3.69Å; H78-F214 AromaticContact NE2-CZ 3.97Å; H78-L220 HydrophobicContact CB-CD1 4.42Å; H78-L220 HydrophobicContact CB-CD2 3.8Å; H78-L220 HydrophobicContact CB-CG 4.02Å |
| 79 | D | 93 | Very high | 90 | Very high | 5 Ų | 5 | 38 Ų | 38 | 3% | 0.027 | 21% | 0.208 | C | C | . | . | trans | -74.4 | 114.4 | 172.5 | -176.3 | -3 | 0 | 0 | 0 | 109.2 | R72 P76 S81 R82 L220 | R72-D79 HydrophobicContact CG-CB 4.43Å; R72-D79 IonicContact CZ-OD2 3.3Å; R72-D79 IonicContact NE-OD1 2.94Å; R72-D79 IonicContact NE-OD2 3.56Å; R72-D79 PolarHBondContact NE-OD2 3.35Å; R72-D79 IonicContact NH2-OD2 3.09Å; R72-D79 PolarHBondContact NH2-OD2 3.22Å; P76-D79 PolarHBondContact O-N 3.33Å; D79-S81 WeakPolarHBondContact OD1-CB 3.37Å; D79-S81 PolarHBondContact OD1-N 3.09Å; D79-R82 PolarHBondContact OD1-N 2.88Å; D79-R82 VanDerWaalsContact OD2-CB 3.29Å; D79-R82 WeakPolarHBondContact OD2-CB 3.4Å; D79-R82 IonicContact OD2-CZ 3.83Å; D79-R82 IonicContact OD2-NH1 2.79Å; D79-L220 HydrophobicContact CB-CD1 4.13Å | ||
| 80 | R | 90.7 | Very high | 89.4 | Confident | 70 Ų | 70 | 43.4 Ų | 43.4 | 26% | 0.264 | 23% | 0.234 | S | C | . | . | trans | -99.7 | -19.4 | 172.6 | -56.8 | -69.7 | 175.8 | -94.8 | 0.9 | 112.5 | S77 H78 Q218 D219 N318 G319 | S77-R80 PolarHBondContact O-NH1 3.38Å; S77-R80 PolarHBondContact O-NH2 3.23Å; H78-R80 PolarHBondContact O-N 2.87Å; R80-Q218 WeakPolarHBondContact CG-O 3.37Å; R80-D219 HydrophobicContact CB-CB 3.93Å; R80-D219 VanDerWaalsContact CB-CG 3.47Å; R80-D219 WeakPolarHBondContact CB-OD1 3.43Å; R80-D219 HydrophobicContact CG-CB 3.81Å; R80-D219 PolarHBondContact N-OD1 2.9Å; R80-N318 PolarHBondContact NH2-O 2.93Å; R80-N318 VanDerWaalsContact NH2-O 3.17Å; R80-G319 WeakPolarHBondContact CD-O 3.3Å; R80-G319 PolarHBondContact NE-O 3.31Å | ||
| 81 | S | 89.5 | Confident | 89 | Confident | 59 Ų | 59 | 45.5 Ų | 45.5 | 41% | 0.413 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -66.7 | -36.3 | 177.3 | -67.3 | 0 | 0 | 0 | 0 | 112.1 | Y68 D79 D219 | Y68-S81 PolarHBondContact OH-OG 3.5Å; D79-S81 WeakPolarHBondContact OD1-CB 3.37Å; D79-S81 PolarHBondContact OD1-N 3.09Å; S81-D219 PolarHBondContact OG-OD2 3.31Å |
| 82 | R | 91.3 | Very high | 88.8 | Confident | 15 Ų | 15 | 45.4 Ų | 45.4 | 6% | 0.057 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -82.1 | 125.4 | 174.6 | -164.9 | 176.7 | -75.7 | 136.4 | -2.8 | 112.4 | R72 D79 N150 D154 | R72-R82 VanDerWaalsContact CZ-NH2 3.27Å; D79-R82 PolarHBondContact OD1-N 2.88Å; D79-R82 VanDerWaalsContact OD2-CB 3.29Å; D79-R82 WeakPolarHBondContact OD2-CB 3.4Å; D79-R82 IonicContact OD2-CZ 3.83Å; D79-R82 IonicContact OD2-NH1 2.79Å; R82-N150 PolarHBondContact NH2-OD1 3.42Å; R82-D154 IonicContact CZ-OD1 4Å; R82-D154 IonicContact NE-OD1 3.48Å; R82-D154 PolarHBondContact NE-OD1 3.42Å; R82-D154 IonicContact NH2-OD1 3.64Å; R82-D154 PolarHBondContact NH2-OD1 3.04Å; R82-D154 VanDerWaalsContact NH2-OD1 3.08Å |
| 83 | K | 86.8 | Confident | 88.6 | Confident | 144 Ų | 144 | 45 Ų | 45 | 63% | 0.626 | 24% | 0.244 | S | C | * | . | P | Polyproline II helix | trans | -59.3 | 159.4 | 171.8 | -69.6 | -175.7 | 179.5 | 179.8 | 0 | 112.2 | F85 R191 | K83-F85 PolarHBondContact O-N 3.39Å; K83-R191 PolarHBondContact O-NH2 3.47Å |
| 84 | A | 85.4 | Confident | 88.4 | Confident | 65 Ų | 65 | 51 Ų | 51 | 54% | 0.537 | 27% | 0.267 | S | S | . | . | P | Polyproline II helix | trans | -65.6 | 129.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | G86 | A84-G86 PolarHBondContact O-N 3.21Š|
| 85 | F | 88.6 | Confident | 88.4 | Confident | 10 Ų | 10 | 50.9 Ų | 50.9 | 4% | 0.044 | 27% | 0.266 | C | S | . | . | trans | -60.7 | -26.5 | 175.9 | -57.7 | -71.7 | 0 | 0 | 0 | 112.7 | K83 L87 L153 L156 I188 | K83-F85 PolarHBondContact O-N 3.39Å; F85-L87 HydrophobicContact CB-CB 4.44Å; F85-L87 HydrophobicContact CB-CG 4.38Å; F85-L87 WeakPolarHBondContact O-CG 3.36Å; F85-L87 PolarHBondContact O-N 3.32Å; F85-L153 HydrophobicContact CE1-CB 4.23Å; F85-L153 HydrophobicContact CE1-CD2 4.15Å; F85-L153 WeakPolarHBondContact CE1-O 3.28Å; F85-L153 HydrophobicContact CZ-CB 4.33Å; F85-L153 HydrophobicContact CZ-CD2 4.11Å; F85-L156 HydrophobicContact CD1-CB 4.37Å; F85-L156 HydrophobicContact CD1-CD2 4.05Å; F85-L156 HydrophobicContact CD1-CG 4.09Å; F85-L156 HydrophobicContact CE1-CB 4.48Å; F85-L156 HydrophobicContact CE1-CD2 4.34Å; F85-I188 HydrophobicContact CB-CG2 4.21Å; F85-I188 HydrophobicContact CD2-CB 4.37Å; F85-I188 HydrophobicContact CD2-CG1 4.44Å; F85-I188 HydrophobicContact CD2-CG2 4.18Å; F85-I188 HydrophobicContact CE2-CG1 4.35Å; F85-I188 HydrophobicContact CG-CG2 4.2Å; F85-I188 HydrophobicContact CZ-CG1 4.42Å | ||
| 86 | G | 82.8 | Confident | 88.3 | Confident | 57 Ų | 57 | 50.7 Ų | 50.7 | 59% | 0.588 | 27% | 0.265 | S | S | * | . | trans | 66.1 | 17.6 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114 | A84 | A84-G86 PolarHBondContact O-N 3.21Š| ||
| 87 | L | 84.6 | Confident | 88.4 | Confident | 12 Ų | 12 | 50.9 Ų | 50.9 | 6% | 0.063 | 27% | 0.266 | C | S | . | . | trans | -109.5 | 112.7 | -176.7 | -62.2 | 179.1 | 0 | 0 | 0 | 111 | F85 T91 L92 L95 L156 I188 | F85-L87 HydrophobicContact CB-CB 4.44Å; F85-L87 HydrophobicContact CB-CG 4.38Å; F85-L87 WeakPolarHBondContact O-CG 3.36Å; F85-L87 PolarHBondContact O-N 3.32Å; L87-T91 HydrophobicContact CD2-CG2 3.86Å; L87-L92 HydrophobicContact CD1-CD1 4.27Å; L87-L95 HydrophobicContact CD1-CD1 4Å; L87-L95 HydrophobicContact CD2-CD1 3.62Å; L87-L95 HydrophobicContact CG-CD1 4.47Å; L87-L156 HydrophobicContact CD1-CD1 4.28Å; L87-L156 HydrophobicContact CD1-CD2 4.32Å; L87-L156 HydrophobicContact CD1-CG 4.46Å; L87-I188 HydrophobicContact CB-CG2 3.99Å; L87-I188 HydrophobicContact CD1-CG2 4.23Å | ||
| 88 | R | 80.9 | Confident | 88.6 | Confident | 206 Ų | 206 | 52.6 Ų | 52.6 | 78% | 0.777 | 27% | 0.266 | S | S | * | . | trans | -87.8 | 164.8 | 168.3 | -62.4 | -174 | -176.2 | -178.9 | 2.3 | 110.2 | Q90 T91 L92 | R88-Q90 PolarHBondContact O-N 3.17Å; R88-Q90 VanDerWaalsContact O-N 3.11Å; R88-T91 PolarHBondContact O-N 3.26Å; R88-L92 WeakPolarHBondContact O-CB 3.43Å; R88-L92 PolarHBondContact O-N 2.85Å | ||
| 89 | G | 79.2 | Confident | 88.6 | Confident | 19 Ų | 19 | 51.7 Ų | 51.7 | 20% | 0.196 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -49.9 | -40.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | S93 | G89-S93 WeakPolarHBondContact O-CB 3.45Å; G89-S93 PolarHBondContact O-N 3.24Å |
| 90 | Q | 82.9 | Confident | 88.5 | Confident | 123 Ų | 123 | 54 Ų | 54 | 58% | 0.575 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -68.4 | -44.8 | 178 | -166 | 179.4 | 31 | 0 | 0 | 113.2 | R88 S93 R94 | R88-Q90 PolarHBondContact O-N 3.17Å; R88-Q90 VanDerWaalsContact O-N 3.11Å; Q90-S93 WeakPolarHBondContact O-CB 3.41Å; Q90-S93 PolarHBondContact O-N 3.44Å; Q90-R94 WeakPolarHBondContact O-CG 3.35Å; Q90-R94 PolarHBondContact O-N 2.99Å; Q90-R94 VanDerWaalsContact O-N 3.17Å |
| 91 | T | 87.5 | Confident | 88.5 | Confident | 43 Ų | 43 | 53.7 Ų | 53.7 | 26% | 0.264 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -66.9 | -42.7 | 177.7 | -50.1 | 0 | 0 | 0 | 0 | 110.9 | L87 R88 S93 R94 L95 | L87-T91 HydrophobicContact CD2-CG2 3.86Å; R88-T91 PolarHBondContact O-N 3.26Å; T91-S93 VanDerWaalsContact C-N 3.33Å; T91-S93 PolarHBondContact O-N 3.48Å; T91-R94 PolarHBondContact O-N 3.46Å; T91-L95 PolarHBondContact O-N 3.35Å |
| 92 | L | 90.4 | Very high | 88.6 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63.3 | -40.7 | 176.3 | -177.3 | 60.3 | 0 | 0 | 0 | 111.3 | L87 R88 R94 L95 I96 F126 L169 I185 I188 V189 | L87-L92 HydrophobicContact CD1-CD1 4.27Å; R88-L92 WeakPolarHBondContact O-CB 3.43Å; R88-L92 PolarHBondContact O-N 2.85Å; L92-R94 PolarHBondContact O-N 3.33Å; L92-L95 WeakPolarHBondContact O-CB 3.41Å; L92-L95 PolarHBondContact O-N 3.05Å; L92-I96 HydrophobicContact CD1-CD1 4.32Å; L92-I96 HydrophobicContact CD1-CG1 4.32Å; L92-I96 HydrophobicContact CG-CD1 3.92Å; L92-I96 HydrophobicContact CG-CG1 4.36Å; L92-I96 VanDerWaalsContact O-CG1 3.32Å; L92-I96 WeakPolarHBondContact O-CG1 3.46Å; L92-I96 PolarHBondContact O-N 2.92Å; L92-F126 HydrophobicContact CD2-CE1 4.07Å; L92-F126 HydrophobicContact CG-CE1 4.39Å; L92-L169 HydrophobicContact CD1-CD1 4.47Å; L92-L169 HydrophobicContact CD1-CD2 4Å; L92-I185 HydrophobicContact CD2-CG1 4.35Å; L92-I185 HydrophobicContact CD2-CG2 4.08Å; L92-I188 HydrophobicContact CD2-CB 4.41Å; L92-I188 HydrophobicContact CD2-CG2 4.13Å; L92-V189 HydrophobicContact CD2-CG2 3.38Å |
| 93 | S | 90.6 | Very high | 88.5 | Confident | 1 Ų | 1 | 54.2 Ų | 54.2 | 1% | 0.007 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -56.4 | -46.9 | 174.3 | 175.3 | 0 | 0 | 0 | 0 | 112.3 | G89 Q90 T91 L95 I96 I97 L112 S113 | G89-S93 WeakPolarHBondContact O-CB 3.45Å; G89-S93 PolarHBondContact O-N 3.24Å; Q90-S93 WeakPolarHBondContact O-CB 3.41Å; Q90-S93 PolarHBondContact O-N 3.44Å; T91-S93 VanDerWaalsContact C-N 3.33Å; T91-S93 PolarHBondContact O-N 3.48Å; S93-L95 VanDerWaalsContact C-N 3.35Å; S93-L95 PolarHBondContact O-N 3.23Å; S93-I96 PolarHBondContact O-N 3.25Å; S93-I97 WeakPolarHBondContact O-CB 3.38Å; S93-I97 WeakPolarHBondContact O-CD1 3.35Å; S93-I97 VanDerWaalsContact O-CG1 3.25Å; S93-I97 WeakPolarHBondContact O-CG1 3.36Å; S93-I97 PolarHBondContact O-N 2.89Å; S93-L112 WeakPolarHBondContact CB-O 3.5Å; S93-L112 WeakPolarHBondContact OG-CB 3.46Å; S93-L112 PolarHBondContact OG-O 2.85Å; S93-S113 PolarHBondContact OG-N 3.24Å |
| 94 | R | 91.6 | Very high | 88.4 | Confident | 127 Ų | 127 | 52 Ų | 52 | 48% | 0.479 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -61.7 | -41.5 | 175.6 | -67.1 | 177.8 | -167.8 | 143.4 | 2.9 | 112.5 | Q90 T91 L92 I97 K98 | Q90-R94 WeakPolarHBondContact O-CG 3.35Å; Q90-R94 PolarHBondContact O-N 2.99Å; Q90-R94 VanDerWaalsContact O-N 3.17Å; T91-R94 PolarHBondContact O-N 3.46Å; L92-R94 PolarHBondContact O-N 3.33Å; R94-I97 PolarHBondContact O-N 3.46Å; R94-K98 WeakPolarHBondContact O-CB 3.15Å; R94-K98 PolarHBondContact O-N 3.35Å |
| 95 | L | 93.4 | Very high | 88.4 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -63.1 | -45.4 | 175.6 | -75.6 | 169.6 | 0 | 0 | 0 | 111.3 | L87 T91 L92 S93 K98 A99 Y162 R165 L166 L169 | L87-L95 HydrophobicContact CD1-CD1 4Å; L87-L95 HydrophobicContact CD2-CD1 3.62Å; L87-L95 HydrophobicContact CG-CD1 4.47Å; T91-L95 PolarHBondContact O-N 3.35Å; L92-L95 WeakPolarHBondContact O-CB 3.41Å; L92-L95 PolarHBondContact O-N 3.05Å; S93-L95 VanDerWaalsContact C-N 3.35Å; S93-L95 PolarHBondContact O-N 3.23Å; L95-K98 PolarHBondContact O-N 3.44Å; L95-A99 WeakPolarHBondContact O-CB 3.39Å; L95-A99 PolarHBondContact O-N 3.42Å; L95-Y162 HydrophobicContact CD2-CD1 4.23Å; L95-Y162 HydrophobicContact CD2-CD2 4.05Å; L95-Y162 HydrophobicContact CD2-CE1 3.76Å; L95-Y162 HydrophobicContact CD2-CE2 3.56Å; L95-Y162 HydrophobicContact CD2-CG 4.36Å; L95-Y162 HydrophobicContact CG-CE2 3.85Å; L95-R165 HydrophobicContact CD1-CB 4.39Å; L95-L166 HydrophobicContact CD2-CB 3.88Å; L95-L166 HydrophobicContact CD2-CD1 4.13Å; L95-L166 WeakPolarHBondContact O-CD1 3.29Å; L95-L169 HydrophobicContact CB-CD2 3.64Å |
| 96 | I | 92.8 | Very high | 88.4 | Confident | 1 Ų | 1 | 57 Ų | 57 | 1% | 0.005 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -60.1 | -49.1 | 176.8 | -69.1 | 169.2 | 0 | 0 | 0 | 110.3 | L92 S93 K98 A99 I100 L112 F126 L134 L169 I185 | L92-I96 HydrophobicContact CD1-CD1 4.32Å; L92-I96 HydrophobicContact CD1-CG1 4.32Å; L92-I96 HydrophobicContact CG-CD1 3.92Å; L92-I96 HydrophobicContact CG-CG1 4.36Å; L92-I96 VanDerWaalsContact O-CG1 3.32Å; L92-I96 WeakPolarHBondContact O-CG1 3.46Å; L92-I96 PolarHBondContact O-N 2.92Å; S93-I96 PolarHBondContact O-N 3.25Å; I96-K98 VanDerWaalsContact C-N 3.33Å; I96-K98 PolarHBondContact O-N 3.5Å; I96-A99 WeakPolarHBondContact O-CB 3.41Å; I96-A99 PolarHBondContact O-N 3.39Å; I96-A99 VanDerWaalsContact O-N 3.09Å; I96-I100 HydrophobicContact CG2-CD1 4.1Å; I96-I100 VanDerWaalsContact O-CG1 3.28Å; I96-I100 WeakPolarHBondContact O-CG1 3.28Å; I96-I100 PolarHBondContact O-N 3.37Å; I96-L112 HydrophobicContact CG2-CD1 4.04Å; I96-F126 HydrophobicContact CD1-CE1 4.47Å; I96-F126 HydrophobicContact CD1-CZ 4.3Å; I96-L134 HydrophobicContact CG2-CD2 4.2Å; I96-L169 HydrophobicContact CG1-CD2 4.06Å; I96-I185 HydrophobicContact CD1-CD1 3.82Å; I96-I185 HydrophobicContact CD1-CG1 4.2Å |
| 97 | I | 92.9 | Very high | 88.6 | Confident | 16 Ų | 16 | 60.2 Ų | 60.2 | 8% | 0.082 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -55.3 | -47.1 | 178.3 | -71.5 | 163.8 | 0 | 0 | 0 | 111 | S93 R94 G101 L102 A109 L112 S113 | S93-I97 WeakPolarHBondContact O-CB 3.38Å; S93-I97 WeakPolarHBondContact O-CD1 3.35Å; S93-I97 VanDerWaalsContact O-CG1 3.25Å; S93-I97 WeakPolarHBondContact O-CG1 3.36Å; S93-I97 PolarHBondContact O-N 2.89Å; R94-I97 PolarHBondContact O-N 3.46Å; I97-G101 PolarHBondContact O-N 3.03Å; I97-G101 VanDerWaalsContact O-N 3.1Å; I97-L102 HydrophobicContact CG2-CB 4.1Å; I97-L102 PolarHBondContact O-N 3.09Å; I97-A109 HydrophobicContact CD1-CB 3.98Å; I97-A109 HydrophobicContact CG1-CB 4.17Å; I97-A109 HydrophobicContact CG2-CB 4.28Å; I97-L112 HydrophobicContact CD1-CB 4.18Å; I97-L112 HydrophobicContact CG1-CB 4.32Å; I97-L112 HydrophobicContact CG1-CD1 3.92Å; I97-S113 WeakPolarHBondContact CD1-OG 3.3Å |
| 98 | K | 93.7 | Very high | 88.7 | Confident | 92 Ų | 92 | 60.4 Ų | 60.4 | 40% | 0.4 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -71.6 | -29.6 | 178.2 | -169 | 178.9 | 175.3 | -167.4 | 0 | 112.5 | R94 L95 I96 Y162 D163 L166 R170 | R94-K98 WeakPolarHBondContact O-CB 3.15Å; R94-K98 PolarHBondContact O-N 3.35Å; L95-K98 PolarHBondContact O-N 3.44Å; I96-K98 VanDerWaalsContact C-N 3.33Å; I96-K98 PolarHBondContact O-N 3.5Å; K98-Y162 HydrophobicContact CD-CE1 4.04Å; K98-D163 IonicContact NZ-OD1 3.43Å; K98-D163 PolarHBondContact NZ-OD1 3.43Å; K98-L166 HydrophobicContact CB-CD1 4Å; K98-L166 HydrophobicContact CD-CD1 4.32Å; K98-L166 HydrophobicContact CD-CD2 3.51Å; K98-L166 VanDerWaalsContact CE-CD2 3.42Å; K98-L166 HydrophobicContact CG-CD1 4.11Å; K98-L166 HydrophobicContact CG-CD2 3.86Å; K98-R170 PolarHBondContact O-NH2 3.22Å |
| 99 | A | 92.8 | Very high | 89 | Confident | 20 Ų | 20 | 50.6 Ų | 50.6 | 17% | 0.165 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -69.6 | -44.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | L95 I96 L166 R170 L173 | L95-A99 WeakPolarHBondContact O-CB 3.39Å; L95-A99 PolarHBondContact O-N 3.42Å; I96-A99 WeakPolarHBondContact O-CB 3.41Å; I96-A99 PolarHBondContact O-N 3.39Å; I96-A99 VanDerWaalsContact O-N 3.09Å; A99-L166 HydrophobicContact CB-CD1 3.98Å; A99-R170 HydrophobicContact CB-CG 3.59Å; A99-L173 HydrophobicContact CB-CD1 3.8Å |
| 100 | I | 90 | Very high | 89.3 | Confident | 53 Ų | 53 | 55.8 Ų | 55.8 | 27% | 0.272 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -92.5 | -2.9 | -177.5 | 71.2 | -173 | 0 | 0 | 0 | 113.7 | I96 L102 L134 L173 | I96-I100 HydrophobicContact CG2-CD1 4.1Å; I96-I100 VanDerWaalsContact O-CG1 3.28Å; I96-I100 WeakPolarHBondContact O-CG1 3.28Å; I96-I100 PolarHBondContact O-N 3.37Å; I100-L102 HydrophobicContact CD1-CD1 3.56Å; I100-L102 HydrophobicContact CD1-CG 3.63Å; I100-L102 HydrophobicContact CG1-CB 4.4Å; I100-L102 HydrophobicContact CG1-CD1 4.22Å; I100-L102 HydrophobicContact CG1-CG 3.77Å; I100-L134 HydrophobicContact CD1-CD2 3.95Å; I100-L134 HydrophobicContact CG2-CD2 4.17Å; I100-L173 HydrophobicContact CG2-CD1 4.07Å |
| 101 | G | 91 | Very high | 89.3 | Confident | 64 Ų | 64 | 54.6 Ų | 54.6 | 66% | 0.66 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.3 | 32.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | I97 | I97-G101 PolarHBondContact O-N 3.03Å; I97-G101 VanDerWaalsContact O-N 3.1Å |
| 102 | L | 91.3 | Very high | 89.2 | Confident | 23 Ų | 23 | 52.7 Ų | 52.7 | 12% | 0.12 | 29% | 0.289 | C | S | . | . | trans | -72.6 | 135.3 | 173.3 | -77 | -179.8 | 0 | 0 | 0 | 110.9 | I97 I100 A108 A109 L112 V133 | I97-L102 HydrophobicContact CG2-CB 4.1Å; I97-L102 PolarHBondContact O-N 3.09Å; I100-L102 HydrophobicContact CD1-CD1 3.56Å; I100-L102 HydrophobicContact CD1-CG 3.63Å; I100-L102 HydrophobicContact CG1-CB 4.4Å; I100-L102 HydrophobicContact CG1-CD1 4.22Å; I100-L102 HydrophobicContact CG1-CG 3.77Å; L102-A108 HydrophobicContact CD1-CB 3.64Å; L102-A108 HydrophobicContact CD2-CB 4Å; L102-A108 HydrophobicContact CG-CB 4.48Å; L102-A109 HydrophobicContact CB-CB 4.29Å; L102-A109 HydrophobicContact CD1-CB 4.47Å; L102-L112 HydrophobicContact CD1-CD1 4.05Å; L102-V133 HydrophobicContact CD1-CG1 4.24Å | ||
| 103 | A | 90 | Very high | 88.7 | Confident | 62 Ų | 62 | 54.8 Ų | 54.8 | 51% | 0.512 | 30% | 0.304 | S | S | . | . | trans | -58.6 | 130.9 | 168.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | N105 S106 A109 | A103-N105 PolarHBondContact O-N 2.68Å; A103-S106 VanDerWaalsContact O-CB 3.28Å; A103-S106 WeakPolarHBondContact O-CB 3.34Å; A103-S106 PolarHBondContact O-N 3.1Å; A103-S106 PolarHBondContact O-OG 3.45Å; A103-A109 VanDerWaalsContact O-CB 3.23Å; A103-A109 WeakPolarHBondContact O-CB 3.43Å | ||
| 104 | P | 83.8 | Confident | 87.4 | Confident | 99 Ų | 99 | 59.9 Ų | 59.9 | 64% | 0.643 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | -32 | -172.4 | -29.3 | 34.7 | 0 | 0 | 0 | 114.8 | A109 | P104-A109 VanDerWaalsContact O-CB 3.32Å; P104-A109 WeakPolarHBondContact O-CB 3.32Å |
| 105 | N | 85.9 | Confident | 85.7 | Confident | 145 Ų | 145 | 56.2 Ų | 56.2 | 78% | 0.775 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96 | -0.5 | -177.4 | -62.8 | -26.9 | 0 | 0 | 0 | 113.8 | A103 | A103-N105 PolarHBondContact O-N 2.68Š|
| 106 | S | 89 | Confident | 83.4 | Confident | 33 Ų | 33 | 60.8 Ų | 60.8 | 23% | 0.231 | 34% | 0.337 | C | S | . | . | S | Bend | trans | -62.1 | 153.1 | 178.6 | 66.4 | 0 | 0 | 0 | 0 | 111.5 | A103 A108 A109 R110 | A103-S106 VanDerWaalsContact O-CB 3.28Å; A103-S106 WeakPolarHBondContact O-CB 3.34Å; A103-S106 PolarHBondContact O-N 3.1Å; A103-S106 PolarHBondContact O-OG 3.45Å; S106-A108 PolarHBondContact O-N 2.77Å; S106-A109 PolarHBondContact O-N 2.93Å; S106-A109 VanDerWaalsContact O-N 3.12Å; S106-A109 VanDerWaalsContact OG-CB 3.3Å; S106-A109 WeakPolarHBondContact OG-CB 3.39Å; S106-A109 PolarHBondContact OG-N 2.94Å; S106-A109 VanDerWaalsContact OG-N 3.13Å; S106-R110 WeakPolarHBondContact O-CG 3.5Å; S106-R110 PolarHBondContact O-N 2.88Å |
| 107 | L | 86 | Confident | 80.9 | Confident | 125 Ų | 125 | 62.6 Ų | 62.6 | 65% | 0.654 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -54.8 | -38.2 | 175.9 | -178.2 | 65.7 | 0 | 0 | 0 | 111.8 | K111 | L107-K111 WeakPolarHBondContact O-CB 3.46Å; L107-K111 VanDerWaalsContact O-CG 3.32Å; L107-K111 WeakPolarHBondContact O-CG 3.45Å; L107-K111 PolarHBondContact O-N 2.92Å |
| 108 | A | 86.7 | Confident | 78.3 | Confident | 16 Ų | 16 | 68.3 Ų | 68.3 | 13% | 0.132 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -65.4 | -46.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | L102 S106 R110 K111 L112 V133 | L102-A108 HydrophobicContact CD1-CB 3.64Å; L102-A108 HydrophobicContact CD2-CB 4Å; L102-A108 HydrophobicContact CG-CB 4.48Å; S106-A108 PolarHBondContact O-N 2.77Å; A108-R110 VanDerWaalsContact C-N 3.33Å; A108-R110 PolarHBondContact O-N 2.85Å; A108-K111 PolarHBondContact O-N 3.44Å; A108-L112 PolarHBondContact O-N 3.01Å; A108-L112 VanDerWaalsContact O-N 3.08Å; A108-V133 HydrophobicContact CB-CG1 3.89Å |
| 109 | A | 87.8 | Confident | 75.7 | Confident | 0 Ų | 0 | 67.4 Ų | 67.4 | 0% | 0 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -65 | -38 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | I97 L102 A103 P104 S106 L112 S113 | I97-A109 HydrophobicContact CD1-CB 3.98Å; I97-A109 HydrophobicContact CG1-CB 4.17Å; I97-A109 HydrophobicContact CG2-CB 4.28Å; L102-A109 HydrophobicContact CB-CB 4.29Å; L102-A109 HydrophobicContact CD1-CB 4.47Å; A103-A109 VanDerWaalsContact O-CB 3.23Å; A103-A109 WeakPolarHBondContact O-CB 3.43Å; P104-A109 VanDerWaalsContact O-CB 3.32Å; P104-A109 WeakPolarHBondContact O-CB 3.32Å; S106-A109 PolarHBondContact O-N 2.93Å; S106-A109 VanDerWaalsContact O-N 3.12Å; S106-A109 VanDerWaalsContact OG-CB 3.3Å; S106-A109 WeakPolarHBondContact OG-CB 3.39Å; S106-A109 PolarHBondContact OG-N 2.94Å; S106-A109 VanDerWaalsContact OG-N 3.13Å; A109-L112 PolarHBondContact O-N 3.37Å; A109-S113 VanDerWaalsContact O-CB 3.24Å; A109-S113 WeakPolarHBondContact O-CB 3.23Å; A109-S113 PolarHBondContact O-N 3.09Å; A109-S113 PolarHBondContact O-OG 3.39Å |
| 110 | R | 85 | Confident | 72.9 | Confident | 128 Ų | 128 | 72.9 Ų | 72.9 | 48% | 0.483 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -65.5 | -41 | 174 | -70.7 | 178 | 66.1 | 175.9 | 1.1 | 112.1 | S106 A108 L112 S113 H114 | S106-R110 WeakPolarHBondContact O-CG 3.5Å; S106-R110 PolarHBondContact O-N 2.88Å; A108-R110 VanDerWaalsContact C-N 3.33Å; A108-R110 PolarHBondContact O-N 2.85Å; R110-L112 VanDerWaalsContact C-N 3.3Å; R110-L112 PolarHBondContact O-N 3.23Å; R110-S113 PolarHBondContact O-N 3.36Å; R110-H114 CarbonylContact O-C 2.95Å; R110-H114 WeakPolarHBondContact O-CA 3.27Å; R110-H114 WeakPolarHBondContact O-CB 3.34Å; R110-H114 PolarHBondContact O-N 3.47Å |
| 111 | K | 83.7 | Confident | 70.5 | Confident | 99 Ų | 99 | 76.8 Ų | 76.8 | 43% | 0.43 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -60.4 | -38.7 | 173.6 | -79.2 | 179.6 | 177.7 | -173.6 | 0 | 112.4 | L107 A108 V133 | L107-K111 WeakPolarHBondContact O-CB 3.46Å; L107-K111 VanDerWaalsContact O-CG 3.32Å; L107-K111 WeakPolarHBondContact O-CG 3.45Å; L107-K111 PolarHBondContact O-N 2.92Å; A108-K111 PolarHBondContact O-N 3.44Å; K111-V133 HydrophobicContact CB-CG2 4.27Å |
| 112 | L | 84.9 | Confident | 68.4 | Low | 2 Ų | 2 | 85.5 Ų | 85.5 | 1% | 0.01 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -74.2 | -36.7 | 175.7 | -70.4 | 173.6 | 0 | 0 | 0 | 112.5 | S93 I96 I97 L102 A108 A109 R110 F126 A130 V133 | S93-L112 WeakPolarHBondContact CB-O 3.5Å; S93-L112 WeakPolarHBondContact OG-CB 3.46Å; S93-L112 PolarHBondContact OG-O 2.85Å; I96-L112 HydrophobicContact CG2-CD1 4.04Å; I97-L112 HydrophobicContact CD1-CB 4.18Å; I97-L112 HydrophobicContact CG1-CB 4.32Å; I97-L112 HydrophobicContact CG1-CD1 3.92Å; L102-L112 HydrophobicContact CD1-CD1 4.05Å; A108-L112 PolarHBondContact O-N 3.01Å; A108-L112 VanDerWaalsContact O-N 3.08Å; A109-L112 PolarHBondContact O-N 3.37Å; R110-L112 VanDerWaalsContact C-N 3.3Å; R110-L112 PolarHBondContact O-N 3.23Å; L112-F126 HydrophobicContact CD2-CE2 4.42Å; L112-A130 HydrophobicContact CD2-CB 3.95Å; L112-V133 HydrophobicContact CD1-CG1 4.03Å; L112-V133 HydrophobicContact CD2-CB 4.38Å; L112-V133 HydrophobicContact CD2-CG2 4.35Å; L112-V133 HydrophobicContact CG-CB 4.44Å; L112-V133 HydrophobicContact CG-CG1 4.28Å; L112-V133 HydrophobicContact CG-CG2 4.28Å |
| 113 | S | 79.5 | Confident | 66.7 | Low | 45 Ų | 45 | 92.9 Ų | 92.9 | 32% | 0.315 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -84.9 | -38.9 | -173.6 | -59.8 | 0 | 0 | 0 | 0 | 113.3 | S93 I97 A109 R110 | S93-S113 PolarHBondContact OG-N 3.24Å; I97-S113 WeakPolarHBondContact CD1-OG 3.3Å; A109-S113 VanDerWaalsContact O-CB 3.24Å; A109-S113 WeakPolarHBondContact O-CB 3.23Å; A109-S113 PolarHBondContact O-N 3.09Å; A109-S113 PolarHBondContact O-OG 3.39Å; R110-S113 PolarHBondContact O-N 3.36Å |
| 114 | H | 64.1 | Low | 65.5 | Low | 108 Ų | 108 | 92.8 Ų | 92.8 | 50% | 0.5 | 47% | 0.467 | S | S | . | . | S | Bend | trans | -113.1 | 99.4 | 177.1 | -58.7 | -73.8 | 0 | 0 | 0 | 106.5 | R110 H116 | R110-H114 CarbonylContact O-C 2.95Å; R110-H114 WeakPolarHBondContact O-CA 3.27Å; R110-H114 WeakPolarHBondContact O-CB 3.34Å; R110-H114 PolarHBondContact O-N 3.47Å; H114-H116 PolarHBondContact O-N 3.32Å |
| 115 | I | 55.6 | Low | 65.2 | Low | 49 Ų | 49 | 89 Ų | 89 | 25% | 0.251 | 44% | 0.442 | S | S | . | . | trans | -70.7 | 98.9 | 168 | -50.5 | 133.1 | 0 | 0 | 0 | 105.5 | P117 F126 V129 D534 | I115-P117 WeakPolarHBondContact O-CD 3.3Å; I115-F126 HydrophobicContact CD1-CB 4.46Å; I115-F126 HydrophobicContact CD1-CD2 4.05Å; I115-F126 HydrophobicContact CG1-CD2 4.26Å; I115-V129 HydrophobicContact CG2-CG2 4.3Å; I115-D534 HydrophobicContact CB-CB 3.55Å; I115-D534 WeakPolarHBondContact CD1-OD1 3.35Å; I115-D534 VanDerWaalsContact CD1-OD2 3.32Å; I115-D534 WeakPolarHBondContact CD1-OD2 3.34Å; I115-D534 HydrophobicContact CG1-CB 4.5Å; I115-D534 HydrophobicContact CG2-CB 3.09Å; I115-D534 VanDerWaalsContact CG2-OD2 3.27Å; I115-D534 WeakPolarHBondContact CG2-OD2 3.34Å | ||
| 116 | H | 45.2 | Very low | 65.2 | Low | 96 Ų | 96 | 82.9 Ų | 82.9 | 44% | 0.444 | 41% | 0.408 | S | S | . | . | trans | -64.6 | 127.2 | -176.5 | -89.5 | -73.5 | 0 | 0 | 0 | 108.3 | H114 N118 | H114-H116 PolarHBondContact O-N 3.32Å; H116-N118 PolarHBondContact O-N 3.21Å | ||
| 117 | P | 40.4 | Very low | 65.1 | Low | 39 Ų | 39 | 81.4 Ų | 81.4 | 25% | 0.253 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67 | -3.4 | -176.7 | 22 | -30.7 | 0 | 0 | 0 | 115.5 | I115 D534 I536 | I115-P117 WeakPolarHBondContact O-CD 3.3Å; P117-D534 WeakPolarHBondContact CA-O 3.36Å; P117-D534 WeakPolarHBondContact CB-O 3.48Å; P117-I536 HydrophobicContact CB-CB 3.7Å; P117-I536 HydrophobicContact CB-CD1 3.57Å; P117-I536 HydrophobicContact CB-CG1 3.41Å; P117-I536 VanDerWaalsContact CB-CG1 3.41Å; P117-I536 HydrophobicContact CG-CB 4.46Å; P117-I536 HydrophobicContact CG-CD1 3.42Å; P117-I536 VanDerWaalsContact CG-CD1 3.42Å; P117-I536 HydrophobicContact CG-CG1 3.9Å |
| 118 | N | 37.8 | Very low | 65.1 | Low | 136 Ų | 136 | 76.8 Ų | 76.8 | 73% | 0.727 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.5 | 7.6 | -166.3 | -69 | -6 | 0 | 0 | 0 | 115.3 | H116 | H116-N118 PolarHBondContact O-N 3.21Š|
| 119 | S | 40.1 | Very low | 65.1 | Low | 73 Ų | 73 | 77.3 Ų | 77.3 | 51% | 0.51 | 38% | 0.376 | S | S | . | . | trans | -108.4 | 89.3 | 179.7 | 27.8 | 0 | 0 | 0 | 0 | 114.6 | H121 | S119-H121 PolarHBondContact O-N 3.45Š| ||
| 120 | I | 32.6 | Very low | 65.2 | Low | 135 Ų | 135 | 77.3 Ų | 77.3 | 69% | 0.692 | 38% | 0.376 | S | S | * | . | 34 | 82.7 | 128.7 | -43.6 | 166.6 | 0 | 0 | 0 | 116 | |||||
| 121 | H | 39.7 | Very low | 65.5 | Low | 136 Ų | 136 | 74.3 Ų | 74.3 | 63% | 0.63 | 37% | 0.365 | S | S | * | . | 178.4 | 151.3 | 98.6 | -91.8 | -72.7 | 0 | 0 | 0 | 107.6 | S119 Q123 T124 K535 | S119-H121 PolarHBondContact O-N 3.45Å; H121-Q123 PolarHBondContact O-N 3.35Å; H121-T124 PolarHBondContact O-N 3.37Å; H121-T124 PolarHBondContact O-OG1 3.4Å; H121-K535 VanDerWaalsContact N-NZ 3.16Å; H121-K535 WeakPolarHBondContact O-CE 3.13Å; H121-K535 PolarHBondContact O-NZ 3.32Å | |||
| 122 | R | 47 | Very low | 65.7 | Low | 246 Ų | 246 | 74 Ų | 74 | 93% | 0.928 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | 1.4 | -168.1 | -84.4 | -178.5 | -179 | 165.6 | 2.1 | 117.4 | ||
| 123 | Q | 55.3 | Low | 65.9 | Low | 179 Ų | 179 | 74.3 Ų | 74.3 | 84% | 0.836 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -128.1 | -1.6 | -171 | -74.8 | 173.8 | -16.1 | 0 | 0 | 116 | H121 | H121-Q123 PolarHBondContact O-N 3.35Š|
| 124 | T | 65.1 | Low | 66.4 | Low | 60 Ų | 60 | 72.1 Ų | 72.1 | 37% | 0.368 | 36% | 0.358 | S | S | . | . | trans | -82 | 122.5 | -174.1 | 45.8 | 0 | 0 | 0 | 0 | 113.1 | H121 D128 | H121-T124 PolarHBondContact O-N 3.37Å; H121-T124 PolarHBondContact O-OG1 3.4Å; T124-D128 HydrophobicContact CG2-CB 4.38Å | ||
| 125 | D | 78.3 | Confident | 67.7 | Low | 19 Ų | 19 | 75.3 Ų | 75.3 | 10% | 0.102 | 37% | 0.366 | C | S | . | . | trans | -106.2 | 177.4 | 172.8 | 72.3 | 14.2 | 0 | 0 | 0 | 113.1 | A127 D128 V129 R186 K190 | D125-A127 PolarHBondContact O-N 3.01Å; D125-A127 WeakPolarHBondContact OD1-CA 3.27Å; D125-A127 VanDerWaalsContact OD1-CB 3.26Å; D125-A127 WeakPolarHBondContact OD1-CB 3.22Å; D125-A127 PolarHBondContact OD1-N 2.75Å; D125-D128 PolarHBondContact N-OD2 3.5Å; D125-D128 WeakPolarHBondContact O-CB 3.2Å; D125-D128 PolarHBondContact O-N 3.25Å; D125-D128 PolarHBondContact OD1-N 2.85Å; D125-V129 PolarHBondContact O-N 3.44Å; D125-R186 IonicContact OD1-CZ 2.86Å; D125-R186 IonicContact OD1-NE 3.95Å; D125-R186 IonicContact OD1-NH2 3.83Å; D125-R186 PolarHBondContact OD1-NH2 2.54Å; D125-R186 IonicContact OD2-CZ 2.94Å; D125-R186 IonicContact OD2-NE 2.93Å; D125-R186 PolarHBondContact OD2-NE 2.79Å; D125-R186 IonicContact OD2-NH2 3.41Å; D125-R186 PolarHBondContact OD2-NH2 3.14Å; D125-K190 VanDerWaalsContact OD2-CE 3.28Å; D125-K190 WeakPolarHBondContact OD2-CE 3.49Å; D125-K190 IonicContact OD2-NZ 3.96Å; D125-K190 PolarHBondContact OD2-NZ 3.43Å | ||
| 126 | F | 84.6 | Confident | 69 | Low | 16 Ų | 16 | 77.2 Ų | 77.2 | 7% | 0.07 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -53.3 | -34.6 | 176.5 | 174.1 | -109.4 | 0 | 0 | 0 | 113.2 | L92 I96 L112 I115 V129 A130 I185 V189 | L92-F126 HydrophobicContact CD2-CE1 4.07Å; L92-F126 HydrophobicContact CG-CE1 4.39Å; I96-F126 HydrophobicContact CD1-CE1 4.47Å; I96-F126 HydrophobicContact CD1-CZ 4.3Å; L112-F126 HydrophobicContact CD2-CE2 4.42Å; I115-F126 HydrophobicContact CD1-CB 4.46Å; I115-F126 HydrophobicContact CD1-CD2 4.05Å; I115-F126 HydrophobicContact CG1-CD2 4.26Å; F126-V129 PolarHBondContact O-N 3.27Å; F126-A130 WeakPolarHBondContact O-CB 3.44Å; F126-A130 PolarHBondContact O-N 3.37Å; F126-I185 HydrophobicContact CD1-CG2 3.44Å; F126-I185 VanDerWaalsContact CD1-CG2 3.44Å; F126-I185 HydrophobicContact CE1-CG2 3.54Å; F126-V189 HydrophobicContact CD1-CG2 4.29Å; F126-V189 HydrophobicContact CE1-CG2 4.49Å |
| 127 | A | 87.9 | Confident | 70.9 | Confident | 3 Ų | 3 | 79.1 Ų | 79.1 | 3% | 0.025 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -72 | -37.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | D125 A130 Y131 K182 I185 R186 | D125-A127 PolarHBondContact O-N 3.01Å; D125-A127 WeakPolarHBondContact OD1-CA 3.27Å; D125-A127 VanDerWaalsContact OD1-CB 3.26Å; D125-A127 WeakPolarHBondContact OD1-CB 3.22Å; D125-A127 PolarHBondContact OD1-N 2.75Å; A127-A130 PolarHBondContact O-N 3.22Å; A127-Y131 WeakPolarHBondContact O-CB 3.32Å; A127-Y131 PolarHBondContact O-N 3.42Å; A127-K182 HydrophobicContact CB-CG 4.06Å; A127-K182 WeakPolarHBondContact CB-O 3.06Å; A127-I185 HydrophobicContact CB-CB 4.09Å; A127-I185 HydrophobicContact CB-CG2 3.82Å; A127-R186 HydrophobicContact CB-CG 3.5Å |
| 128 | D | 86.2 | Confident | 73.1 | Confident | 27 Ų | 27 | 78.9 Ų | 78.9 | 14% | 0.144 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -63.9 | -41.7 | 171.4 | -60.5 | -58.9 | 0 | 0 | 0 | 111 | T124 D125 Y131 T132 K182 R186 | T124-D128 HydrophobicContact CG2-CB 4.38Å; D125-D128 PolarHBondContact N-OD2 3.5Å; D125-D128 WeakPolarHBondContact O-CB 3.2Å; D125-D128 PolarHBondContact O-N 3.25Å; D125-D128 PolarHBondContact OD1-N 2.85Å; D128-Y131 WeakPolarHBondContact O-CB 3.33Å; D128-Y131 PolarHBondContact O-N 2.83Å; D128-T132 WeakPolarHBondContact O-CG2 3.18Å; D128-T132 PolarHBondContact O-N 2.92Å; D128-T132 VanDerWaalsContact O-N 3.1Å; D128-K182 WeakPolarHBondContact OD1-CE 3.36Å; D128-K182 IonicContact OD1-NZ 3.53Å; D128-K182 PolarHBondContact OD1-NZ 2.92Å; D128-R186 IonicContact OD1-NH2 3.38Å; D128-R186 PolarHBondContact OD1-NH2 2.69Å; D128-R186 IonicContact OD2-NH2 2.68Å; D128-R186 PolarHBondContact OD2-NH2 3.31Å |
| 129 | V | 86.4 | Confident | 75.3 | Confident | 28 Ų | 28 | 76.8 Ų | 76.8 | 17% | 0.17 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -61.6 | -48.1 | 174.6 | 176.1 | 0 | 0 | 0 | 0 | 110.5 | I115 D125 F126 Y131 T132 V133 | I115-V129 HydrophobicContact CG2-CG2 4.3Å; D125-V129 PolarHBondContact O-N 3.44Å; F126-V129 PolarHBondContact O-N 3.27Å; V129-Y131 VanDerWaalsContact C-N 3.32Å; V129-Y131 PolarHBondContact O-N 3.04Å; V129-T132 PolarHBondContact O-N 3.2Å; V129-T132 PolarHBondContact O-OG1 3.37Å; V129-V133 PolarHBondContact O-N 3.14Å |
| 130 | A | 89.6 | Confident | 77.3 | Confident | 0 Ų | 0 | 82.3 Ų | 82.3 | 0% | 0 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -60.1 | -42.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | L112 F126 A127 T132 V133 L134 I185 | L112-A130 HydrophobicContact CD2-CB 3.95Å; F126-A130 WeakPolarHBondContact O-CB 3.44Å; F126-A130 PolarHBondContact O-N 3.37Å; A127-A130 PolarHBondContact O-N 3.22Å; A130-T132 VanDerWaalsContact C-N 3.31Å; A130-T132 PolarHBondContact O-N 3.2Å; A130-V133 PolarHBondContact O-N 3.29Å; A130-L134 HydrophobicContact CB-CD1 4Å; A130-L134 WeakPolarHBondContact O-CB 3.44Å; A130-L134 WeakPolarHBondContact O-CD1 3.32Å; A130-L134 WeakPolarHBondContact O-CG 3.47Å; A130-L134 PolarHBondContact O-N 3.38Å; A130-I185 HydrophobicContact CB-CD1 3.45Å; A130-I185 VanDerWaalsContact CB-CD1 3.45Å |
| 131 | Y | 91.4 | Very high | 79.6 | Confident | 65 Ų | 65 | 80.1 Ų | 80.1 | 26% | 0.255 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -53.9 | -45.7 | 174.3 | 175 | -100.4 | 0 | 0 | 0 | 112 | A127 D128 V129 V133 L134 R135 A178 L179 K182 | A127-Y131 WeakPolarHBondContact O-CB 3.32Å; A127-Y131 PolarHBondContact O-N 3.42Å; D128-Y131 WeakPolarHBondContact O-CB 3.33Å; D128-Y131 PolarHBondContact O-N 2.83Å; V129-Y131 VanDerWaalsContact C-N 3.32Å; V129-Y131 PolarHBondContact O-N 3.04Å; Y131-V133 PolarHBondContact O-N 2.94Å; Y131-L134 PolarHBondContact O-N 3.18Å; Y131-R135 VanDerWaalsContact O-CB 3.29Å; Y131-R135 WeakPolarHBondContact O-CB 3.3Å; Y131-R135 PolarHBondContact O-N 3.15Å; Y131-A178 HydrophobicContact CD2-CB 4.1Å; Y131-A178 WeakPolarHBondContact CD2-O 3.21Å; Y131-A178 HydrophobicContact CE2-CB 4.03Å; Y131-L179 HydrophobicContact CE2-CB 4.32Å; Y131-K182 HydrophobicContact CD2-CB 4.25Å; Y131-K182 HydrophobicContact CD2-CD 4.36Å; Y131-K182 HydrophobicContact CG-CD 4.32Å |
| 132 | T | 88.6 | Confident | 81.5 | Confident | 93 Ų | 93 | 75.4 Ų | 75.4 | 57% | 0.571 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -63.2 | -29.5 | 178.8 | 66.2 | 0 | 0 | 0 | 0 | 113.5 | D128 V129 A130 | D128-T132 WeakPolarHBondContact O-CG2 3.18Å; D128-T132 PolarHBondContact O-N 2.92Å; D128-T132 VanDerWaalsContact O-N 3.1Å; V129-T132 PolarHBondContact O-N 3.2Å; V129-T132 PolarHBondContact O-OG1 3.37Å; A130-T132 VanDerWaalsContact C-N 3.31Å; A130-T132 PolarHBondContact O-N 3.2Å |
| 133 | V | 89.2 | Confident | 83.3 | Confident | 7 Ų | 7 | 67.6 Ų | 67.6 | 4% | 0.042 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -83.5 | -39.2 | 178.8 | 175.6 | 0 | 0 | 0 | 0 | 111.4 | L102 A108 K111 L112 V129 A130 Y131 R137 | L102-V133 HydrophobicContact CD1-CG1 4.24Å; A108-V133 HydrophobicContact CB-CG1 3.89Å; K111-V133 HydrophobicContact CB-CG2 4.27Å; L112-V133 HydrophobicContact CD1-CG1 4.03Å; L112-V133 HydrophobicContact CD2-CB 4.38Å; L112-V133 HydrophobicContact CD2-CG2 4.35Å; L112-V133 HydrophobicContact CG-CB 4.44Å; L112-V133 HydrophobicContact CG-CG1 4.28Å; L112-V133 HydrophobicContact CG-CG2 4.28Å; V129-V133 PolarHBondContact O-N 3.14Å; A130-V133 PolarHBondContact O-N 3.29Å; Y131-V133 PolarHBondContact O-N 2.94Å; V133-R137 PolarHBondContact O-NH1 2.91Å |
| 134 | L | 90.2 | Very high | 85.1 | Confident | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -81.4 | -29.5 | -173.2 | -66.7 | 165.3 | 0 | 0 | 0 | 112.3 | I96 I100 A130 Y131 A136 R137 C138 Q181 I185 | I96-L134 HydrophobicContact CG2-CD2 4.2Å; I100-L134 HydrophobicContact CD1-CD2 3.95Å; I100-L134 HydrophobicContact CG2-CD2 4.17Å; A130-L134 HydrophobicContact CB-CD1 4Å; A130-L134 WeakPolarHBondContact O-CB 3.44Å; A130-L134 WeakPolarHBondContact O-CD1 3.32Å; A130-L134 WeakPolarHBondContact O-CG 3.47Å; A130-L134 PolarHBondContact O-N 3.38Å; Y131-L134 PolarHBondContact O-N 3.18Å; L134-A136 PolarHBondContact O-N 2.89Å; L134-R137 PolarHBondContact O-N 3.4Å; L134-C138 PolarHBondContact O-N 3.03Å; L134-C138 PolarHBondContact O-SG 3.12Å; L134-Q181 HydrophobicContact CD1-CB 4.39Å; L134-I185 HydrophobicContact CD1-CD1 4.19Å |
| 135 | R | 90.1 | Very high | 86.6 | Confident | 175 Ų | 175 | 57.1 Ų | 57.1 | 66% | 0.66 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.1 | -34.7 | -178.8 | -176.2 | 179.5 | 176.6 | -168.8 | -0.4 | 114.4 | Y131 R137 A178 | Y131-R135 VanDerWaalsContact O-CB 3.29Å; Y131-R135 WeakPolarHBondContact O-CB 3.3Å; Y131-R135 PolarHBondContact O-N 3.15Å; R135-R137 VanDerWaalsContact C-N 3.32Å; R135-R137 PolarHBondContact O-N 2.95Å; R135-A178 HydrophobicContact CB-CB 4.18Å |
| 136 | A | 84 | Confident | 87.4 | Confident | 89 Ų | 89 | 56.2 Ų | 56.2 | 74% | 0.736 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | 1.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | L134 | L134-A136 PolarHBondContact O-N 2.89Š|
| 137 | R | 84.7 | Confident | 88 | Confident | 136 Ų | 136 | 59.2 Ų | 59.2 | 51% | 0.513 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -134.1 | 3.7 | -168.4 | -64.9 | 177.5 | 177.2 | 71.7 | 9.4 | 113.9 | V133 L134 R135 | V133-R137 PolarHBondContact O-NH1 2.91Å; L134-R137 PolarHBondContact O-N 3.4Å; R135-R137 VanDerWaalsContact C-N 3.32Å; R135-R137 PolarHBondContact O-N 2.95Å |
| 138 | C | 85.4 | Confident | 88.4 | Confident | 33 Ų | 33 | 61.8 Ų | 61.8 | 22% | 0.223 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -114.7 | 157.8 | -174.8 | -59.8 | 0 | 0 | 0 | 0 | 110.8 | L134 A178 Q181 | L134-C138 PolarHBondContact O-N 3.03Å; L134-C138 PolarHBondContact O-SG 3.12Å; C138-A178 HydrophobicContact CB-CB 4.22Å; C138-Q181 PolarHBondContact SG-NE2 3.03Å; C138-Q181 PolarHBondContact SG-OE1 2.85Å |
| 139 | R | 85.6 | Confident | 88.9 | Confident | 92 Ų | 92 | 60.5 Ų | 60.5 | 35% | 0.347 | 31% | 0.305 | S | S | . | . | trans | -63.8 | 160.4 | 169.5 | 65.2 | -174.1 | -60.4 | 152.3 | -1.6 | 111.7 | D141 V143 Q174 | R139-D141 VanDerWaalsContact CD-O 3.28Å; R139-D141 WeakPolarHBondContact CD-O 3.21Å; R139-D141 WeakPolarHBondContact CG-O 3.14Å; R139-D141 IonicContact CZ-OD1 3.71Å; R139-D141 IonicContact CZ-OD2 2.58Å; R139-D141 PolarHBondContact NE-O 3.11Å; R139-D141 IonicContact NE-OD1 3.97Å; R139-D141 PolarHBondContact NE-OD1 3.13Å; R139-D141 IonicContact NE-OD2 2.64Å; R139-D141 IonicContact NH2-OD1 2.69Å; R139-D141 PolarHBondContact NH2-OD1 2.75Å; R139-D141 IonicContact NH2-OD2 3.94Å; R139-D141 PolarHBondContact NH2-OD2 2.84Å; R139-V143 VanDerWaalsContact CZ-CG2 3.48Å; R139-V143 VanDerWaalsContact NH2-CG2 3.31Å; R139-Q174 VanDerWaalsContact CD-O 3.23Å; R139-Q174 WeakPolarHBondContact CD-O 3.37Å | ||
| 140 | E | 81.4 | Confident | 89.4 | Confident | 190 Ų | 190 | 59.3 Ų | 59.3 | 89% | 0.888 | 30% | 0.297 | S | S | * | . | S | Bend | trans | -95.7 | -21 | 179.7 | -62.4 | -166.3 | 158.5 | 0 | 0 | 113.4 | T177 | E140-T177 WeakPolarHBondContact O-CG2 3.44Š|
| 141 | D | 82.1 | Confident | 89.7 | Confident | 89 Ų | 89 | 62.1 Ų | 62.1 | 48% | 0.476 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -104 | 146.7 | -179.1 | 63.1 | -29.5 | 0 | 0 | 0 | 111.8 | R139 | R139-D141 VanDerWaalsContact CD-O 3.28Å; R139-D141 WeakPolarHBondContact CD-O 3.21Å; R139-D141 WeakPolarHBondContact CG-O 3.14Å; R139-D141 IonicContact CZ-OD1 3.71Å; R139-D141 IonicContact CZ-OD2 2.58Å; R139-D141 PolarHBondContact NE-O 3.11Å; R139-D141 IonicContact NE-OD1 3.97Å; R139-D141 PolarHBondContact NE-OD1 3.13Å; R139-D141 IonicContact NE-OD2 2.64Å; R139-D141 IonicContact NH2-OD1 2.69Å; R139-D141 PolarHBondContact NH2-OD1 2.75Å; R139-D141 IonicContact NH2-OD2 3.94Å; R139-D141 PolarHBondContact NH2-OD2 2.84Å |
| 142 | S | 78.2 | Confident | 89.9 | Confident | 36 Ų | 36 | 60.2 Ų | 60.2 | 25% | 0.252 | 31% | 0.308 | S | S | . | . | trans | -101.8 | 141.8 | 177.7 | -178.5 | 0 | 0 | 0 | 0 | 110.6 | T17 E180 | T17-S142 WeakPolarHBondContact OG1-CB 3.36Å; T17-S142 PolarHBondContact OG1-OG 2.91Å; S142-E180 WeakPolarHBondContact CB-OE1 3.22Å; S142-E180 WeakPolarHBondContact CB-OE2 3.4Å; S142-E180 VanDerWaalsContact OG-CD 3.25Å; S142-E180 PolarHBondContact OG-OE1 3.02Å; S142-E180 PolarHBondContact OG-OE2 2.93Å | ||
| 143 | V | 85.1 | Confident | 90.2 | Very high | 82 Ų | 82 | 55.8 Ų | 55.8 | 50% | 0.497 | 28% | 0.281 | S | S | . | . | trans | -111.7 | -14.5 | 178.7 | -166.9 | 0 | 0 | 0 | 0 | 111.9 | R139 | R139-V143 VanDerWaalsContact CZ-CG2 3.48Å; R139-V143 VanDerWaalsContact NH2-CG2 3.31Å | ||
| 144 | L | 94.2 | Very high | 90.5 | Very high | 10 Ų | 10 | 57.8 Ų | 57.8 | 5% | 0.052 | 29% | 0.291 | C | S | . | . | trans | -92.2 | 137.3 | -168.9 | -60.6 | -174.6 | 0 | 0 | 0 | 112.9 | F16 D148 L172 L175 T176 | F16-L144 HydrophobicContact CB-CB 4.29Å; F16-L144 VanDerWaalsContact CB-O 3.3Å; F16-L144 WeakPolarHBondContact CB-O 3.49Å; F16-L144 PolarHBondContact N-O 3.43Å; L144-D148 HydrophobicContact CB-CB 4.33Å; L144-D148 HydrophobicContact CD2-CB 3.89Å; L144-L172 HydrophobicContact CD1-CD1 3.75Å; L144-L175 HydrophobicContact CD1-CB 4.2Å; L144-L175 HydrophobicContact CD2-CB 4.02Å; L144-L175 HydrophobicContact CD2-CD1 3.95Å; L144-L175 HydrophobicContact CG-CB 4.06Å; L144-T176 HydrophobicContact CD1-CG2 3.59Å; L144-T176 HydrophobicContact CG-CG2 4.37Å | ||
| 145 | S | 95.8 | Very high | 90.8 | Very high | 10 Ų | 10 | 62 Ų | 62 | 7% | 0.07 | 31% | 0.311 | C | S | . | . | B | Isolated β-bridge | trans | -81.1 | 168.3 | 161.2 | 72.5 | 0 | 0 | 0 | 0 | 111.6 | A11 K12 V14 K147 D148 L149 | A11-S145 WeakPolarHBondContact O-CB 3.49Å; K12-S145 WeakPolarHBondContact O-CB 3.16Å; V14-S145 CarbonylContact O-C 3.54Å; V14-S145 WeakPolarHBondContact O-CA 3.39Å; S145-K147 PolarHBondContact O-N 2.78Å; S145-K147 PolarHBondContact OG-N 3.45Å; S145-D148 VanDerWaalsContact CB-OD2 3.29Å; S145-D148 WeakPolarHBondContact CB-OD2 3.43Å; S145-D148 PolarHBondContact N-OD2 3.32Å; S145-D148 PolarHBondContact O-N 2.99Å; S145-D148 PolarHBondContact OG-N 3.12Å; S145-D148 VanDerWaalsContact OG-N 3.14Å; S145-D148 PolarHBondContact OG-OD2 3.45Å; S145-L149 PolarHBondContact O-N 3.24Å; S145-L149 VanDerWaalsContact O-N 3.07Å |
| 146 | V | 95.8 | Very high | 91 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -60 | -32.6 | 171.6 | 171.3 | 0 | 0 | 0 | 0 | 111.1 | A11 V14 L70 L73 N150 | A11-V146 HydrophobicContact CB-CB 4.27Å; A11-V146 HydrophobicContact CB-CG1 4.22Å; A11-V146 PolarHBondContact O-N 2.69Å; V14-V146 HydrophobicContact CB-CG2 4.23Å; V14-V146 HydrophobicContact CG1-CG2 3.95Å; V14-V146 PolarHBondContact O-N 3.14Å; L70-V146 HydrophobicContact CD1-CG1 4.09Å; L70-V146 HydrophobicContact CD1-CG2 4.22Å; L73-V146 HydrophobicContact CD1-CG1 4.01Å; V146-N150 PolarHBondContact O-N 3.1Å; V146-N150 PolarHBondContact O-ND2 3.46Å |
| 147 | K | 96.6 | Very high | 91.4 | Very high | 78 Ų | 78 | 50 Ų | 50 | 34% | 0.339 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -64.8 | -52.3 | 173.8 | -176.5 | -166 | 171.9 | -156.1 | 0 | 110.7 | A11 K12 L69 S145 L149 N150 T151 | A11-K147 HydrophobicContact CB-CB 4.02Å; A11-K147 PolarHBondContact O-N 3.22Å; K12-K147 HydrophobicContact CB-CB 4.47Å; K12-K147 HydrophobicContact CB-CD 4.04Å; L69-K147 HydrophobicContact CD1-CG 4.47Å; S145-K147 PolarHBondContact O-N 2.78Å; S145-K147 PolarHBondContact OG-N 3.45Å; K147-L149 VanDerWaalsContact C-N 3.27Å; K147-L149 PolarHBondContact O-N 3.09Å; K147-N150 PolarHBondContact O-N 3.16Å; K147-T151 PolarHBondContact O-N 2.88Å; K147-T151 PolarHBondContact O-OG1 2.93Å |
| 148 | D | 96.5 | Very high | 91.8 | Very high | 58 Ų | 58 | 47.6 Ų | 47.6 | 31% | 0.31 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -61.3 | -38.5 | -176 | -52.9 | -42.8 | 0 | 0 | 0 | 111.4 | L144 S145 T151 H152 | L144-D148 HydrophobicContact CB-CB 4.33Å; L144-D148 HydrophobicContact CD2-CB 3.89Å; S145-D148 VanDerWaalsContact CB-OD2 3.29Å; S145-D148 WeakPolarHBondContact CB-OD2 3.43Å; S145-D148 PolarHBondContact N-OD2 3.32Å; S145-D148 PolarHBondContact O-N 2.99Å; S145-D148 PolarHBondContact OG-N 3.12Å; S145-D148 VanDerWaalsContact OG-N 3.14Å; S145-D148 PolarHBondContact OG-OD2 3.45Å; D148-T151 WeakPolarHBondContact O-CB 3.5Å; D148-T151 PolarHBondContact O-N 2.97Å; D148-H152 PolarHBondContact O-N 3.16Å; D148-H152 PolarHBondContact O-ND1 2.83Å |
| 149 | L | 95.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60.3 | -47.3 | 173.5 | 173.7 | 64.2 | 0 | 0 | 0 | 112.1 | F16 L73 S145 K147 T151 H152 L153 L172 I184 | F16-L149 HydrophobicContact CD1-CD2 4.25Å; F16-L149 HydrophobicContact CD2-CD2 3.41Å; F16-L149 VanDerWaalsContact CD2-CD2 3.41Å; F16-L149 HydrophobicContact CE1-CD1 4.39Å; F16-L149 HydrophobicContact CE1-CD2 4.02Å; F16-L149 HydrophobicContact CE2-CD2 3.18Å; F16-L149 HydrophobicContact CG-CD2 3.97Å; F16-L149 HydrophobicContact CZ-CD1 4.47Å; F16-L149 HydrophobicContact CZ-CD2 3.54Å; L73-L149 HydrophobicContact CD1-CD2 3.84Å; L73-L149 HydrophobicContact CD2-CD2 4.25Å; S145-L149 PolarHBondContact O-N 3.24Å; S145-L149 VanDerWaalsContact O-N 3.07Å; K147-L149 VanDerWaalsContact C-N 3.27Å; K147-L149 PolarHBondContact O-N 3.09Å; L149-T151 VanDerWaalsContact C-N 3.26Å; L149-T151 PolarHBondContact O-N 3.21Å; L149-H152 PolarHBondContact O-N 3.25Å; L149-L153 HydrophobicContact CD1-CD1 4.08Å; L149-L153 HydrophobicContact CD1-CD2 4.5Å; L149-L153 HydrophobicContact CD1-CG 4Å; L149-L153 HydrophobicContact CG-CD1 3.99Å; L149-L153 HydrophobicContact CG-CG 4.31Å; L149-L153 WeakPolarHBondContact O-CG 3.42Å; L149-L153 PolarHBondContact O-N 3.49Å; L149-L172 HydrophobicContact CD1-CD1 4.07Å; L149-I184 HydrophobicContact CD1-CD1 4.06Å; L149-I184 HydrophobicContact CD1-CG1 3.93Å |
| 150 | N | 96.4 | Very high | 92.3 | Very high | 2 Ų | 2 | 50.2 Ų | 50.2 | 1% | 0.011 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60.3 | -39.8 | 179.3 | -86.3 | -80.6 | 0 | 0 | 0 | 111.2 | L69 R82 V146 K147 L153 D154 | L69-N150 HydrophobicContact CD2-CB 4.03Å; L69-N150 PolarHBondContact O-ND2 2.86Å; R82-N150 PolarHBondContact NH2-OD1 3.42Å; V146-N150 PolarHBondContact O-N 3.1Å; V146-N150 PolarHBondContact O-ND2 3.46Å; K147-N150 PolarHBondContact O-N 3.16Å; N150-L153 PolarHBondContact O-N 3.03Å; N150-D154 WeakPolarHBondContact O-CB 3.26Å; N150-D154 PolarHBondContact O-N 3.42Å |
| 151 | T | 96.1 | Very high | 92.7 | Very high | 60 Ų | 60 | 43.5 Ų | 43.5 | 37% | 0.368 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -58.5 | -50.3 | 174.4 | -59.5 | 0 | 0 | 0 | 0 | 111.9 | K147 D148 L149 L153 D154 E155 | K147-T151 PolarHBondContact O-N 2.88Å; K147-T151 PolarHBondContact O-OG1 2.93Å; D148-T151 WeakPolarHBondContact O-CB 3.5Å; D148-T151 PolarHBondContact O-N 2.97Å; L149-T151 VanDerWaalsContact C-N 3.26Å; L149-T151 PolarHBondContact O-N 3.21Å; T151-L153 VanDerWaalsContact C-N 3.31Å; T151-L153 PolarHBondContact O-N 3.31Å; T151-D154 PolarHBondContact O-N 3.13Å; T151-D154 VanDerWaalsContact O-N 3.13Å; T151-E155 WeakPolarHBondContact O-CG 3.39Å; T151-E155 PolarHBondContact O-N 3.36Å |
| 152 | H | 95.6 | Very high | 93.2 | Very high | 25 Ų | 25 | 43.6 Ų | 43.6 | 12% | 0.116 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -62.9 | -36.4 | 177.6 | -73.8 | 82.8 | 0 | 0 | 0 | 112.8 | D148 L149 L156 V168 L172 | D148-H152 PolarHBondContact O-N 3.16Å; D148-H152 PolarHBondContact O-ND1 2.83Å; L149-H152 PolarHBondContact O-N 3.25Å; H152-L156 WeakPolarHBondContact O-CB 3.28Å; H152-L156 PolarHBondContact O-N 3.47Å; H152-V168 WeakPolarHBondContact O-CG1 3.07Å; H152-L172 HydrophobicContact CB-CD1 3.89Å |
| 153 | L | 95.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -68.8 | -36.3 | 175.4 | -69 | 177.2 | 0 | 0 | 0 | 111.7 | L73 F85 L149 N150 T151 L156 S157 L187 I188 | L73-L153 HydrophobicContact CD2-CD1 3.67Å; F85-L153 HydrophobicContact CE1-CB 4.23Å; F85-L153 HydrophobicContact CE1-CD2 4.15Å; F85-L153 WeakPolarHBondContact CE1-O 3.28Å; F85-L153 HydrophobicContact CZ-CB 4.33Å; F85-L153 HydrophobicContact CZ-CD2 4.11Å; L149-L153 HydrophobicContact CD1-CD1 4.08Å; L149-L153 HydrophobicContact CD1-CD2 4.5Å; L149-L153 HydrophobicContact CD1-CG 4Å; L149-L153 HydrophobicContact CG-CD1 3.99Å; L149-L153 HydrophobicContact CG-CG 4.31Å; L149-L153 WeakPolarHBondContact O-CG 3.42Å; L149-L153 PolarHBondContact O-N 3.49Å; N150-L153 PolarHBondContact O-N 3.03Å; T151-L153 VanDerWaalsContact C-N 3.31Å; T151-L153 PolarHBondContact O-N 3.31Å; L153-L156 PolarHBondContact O-N 3.31Å; L153-S157 WeakPolarHBondContact O-CB 3.4Å; L153-S157 PolarHBondContact O-N 3.37Å; L153-L187 HydrophobicContact CD1-CD1 4.36Å; L153-I188 HydrophobicContact CD2-CG1 4.32Å |
| 154 | D | 95.2 | Very high | 94.3 | Very high | 48 Ų | 48 | 46.7 Ų | 46.7 | 26% | 0.257 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -66.3 | -46.1 | 176.1 | -67.6 | -16.6 | 0 | 0 | 0 | 110 | R72 R82 N150 T151 L156 S157 T158 | R72-D154 IonicContact CZ-OD1 3.33Å; R72-D154 IonicContact CZ-OD2 3.91Å; R72-D154 IonicContact NH1-OD1 3.04Å; R72-D154 IonicContact NH1-OD2 3.66Å; R72-D154 PolarHBondContact NH1-OD2 3.25Å; R72-D154 IonicContact NH2-OD1 2.77Å; R72-D154 PolarHBondContact NH2-OD1 3.4Å; R72-D154 IonicContact NH2-OD2 2.84Å; R72-D154 PolarHBondContact NH2-OD2 2.98Å; R82-D154 IonicContact CZ-OD1 4Å; R82-D154 IonicContact NE-OD1 3.48Å; R82-D154 PolarHBondContact NE-OD1 3.42Å; R82-D154 IonicContact NH2-OD1 3.64Å; R82-D154 PolarHBondContact NH2-OD1 3.04Å; R82-D154 VanDerWaalsContact NH2-OD1 3.08Å; N150-D154 WeakPolarHBondContact O-CB 3.26Å; N150-D154 PolarHBondContact O-N 3.42Å; T151-D154 PolarHBondContact O-N 3.13Å; T151-D154 VanDerWaalsContact O-N 3.13Å; D154-L156 PolarHBondContact O-N 3.43Å; D154-S157 PolarHBondContact O-N 3.13Å; D154-S157 VanDerWaalsContact O-N 3.11Å; D154-S157 PolarHBondContact O-OG 3.19Å; D154-T158 PolarHBondContact O-N 3.38Å; D154-T158 PolarHBondContact O-OG1 3.35Å |
| 155 | E | 95.9 | Very high | 94.3 | Very high | 89 Ų | 89 | 48.9 Ų | 48.9 | 42% | 0.416 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -57.5 | -43.2 | 171.7 | -70.9 | 172 | -168.6 | 0 | 0 | 112.9 | T151 S157 T158 A159 V168 | T151-E155 WeakPolarHBondContact O-CG 3.39Å; T151-E155 PolarHBondContact O-N 3.36Å; E155-S157 VanDerWaalsContact C-N 3.27Å; E155-S157 PolarHBondContact O-N 3.08Å; E155-T158 PolarHBondContact O-N 3.02Å; E155-T158 PolarHBondContact O-OG1 2.99Å; E155-A159 WeakPolarHBondContact O-CB 3.48Å; E155-A159 PolarHBondContact O-N 3.48Å; E155-V168 HydrophobicContact CB-CG1 4.16Å; E155-V168 HydrophobicContact CB-CG2 4.19Å |
| 156 | L | 95 | Very high | 94.3 | Very high | 1 Ų | 1 | 48.5 Ų | 48.5 | 1% | 0.005 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -64.6 | -34.7 | 177.5 | -176 | 63.8 | 0 | 0 | 0 | 111.6 | F85 L87 H152 L153 D154 R165 V168 I188 | F85-L156 HydrophobicContact CD1-CB 4.37Å; F85-L156 HydrophobicContact CD1-CD2 4.05Å; F85-L156 HydrophobicContact CD1-CG 4.09Å; F85-L156 HydrophobicContact CE1-CB 4.48Å; F85-L156 HydrophobicContact CE1-CD2 4.34Å; L87-L156 HydrophobicContact CD1-CD1 4.28Å; L87-L156 HydrophobicContact CD1-CD2 4.32Å; L87-L156 HydrophobicContact CD1-CG 4.46Å; H152-L156 WeakPolarHBondContact O-CB 3.28Å; H152-L156 PolarHBondContact O-N 3.47Å; L153-L156 PolarHBondContact O-N 3.31Å; D154-L156 PolarHBondContact O-N 3.43Å; L156-R165 HydrophobicContact CD1-CB 4.05Å; L156-R165 HydrophobicContact CD1-CG 4.19Å; L156-V168 HydrophobicContact CB-CG1 3.94Å; L156-V168 HydrophobicContact CD1-CB 4.42Å; L156-V168 HydrophobicContact CD1-CG1 4.41Å; L156-I188 HydrophobicContact CD2-CD1 3.64Å; L156-I188 HydrophobicContact CD2-CG1 4.21Å |
| 157 | S | 92.4 | Very high | 94.3 | Very high | 12 Ų | 12 | 54.7 Ų | 54.7 | 8% | 0.084 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -76.5 | -26.2 | -179.8 | 78.5 | 0 | 0 | 0 | 0 | 113.6 | L153 D154 E155 | L153-S157 WeakPolarHBondContact O-CB 3.4Å; L153-S157 PolarHBondContact O-N 3.37Å; D154-S157 PolarHBondContact O-N 3.13Å; D154-S157 VanDerWaalsContact O-N 3.11Å; D154-S157 PolarHBondContact O-OG 3.19Å; E155-S157 VanDerWaalsContact C-N 3.27Å; E155-S157 PolarHBondContact O-N 3.08Å |
| 158 | T | 93.3 | Very high | 94.2 | Very high | 84 Ų | 84 | 52 Ų | 52 | 52% | 0.515 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -91.8 | -15.5 | 177.4 | 55 | 0 | 0 | 0 | 0 | 113.1 | D154 E155 E160 | D154-T158 PolarHBondContact O-N 3.38Å; D154-T158 PolarHBondContact O-OG1 3.35Å; E155-T158 PolarHBondContact O-N 3.02Å; E155-T158 PolarHBondContact O-OG1 2.99Å; T158-E160 PolarHBondContact O-N 3.36Å |
| 159 | A | 93.2 | Very high | 94.1 | Very high | 3 Ų | 3 | 49.4 Ų | 49.4 | 3% | 0.025 | 25% | 0.25 | C | C | . | . | trans | -62.3 | 115.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | E155 M164 R165 | E155-A159 WeakPolarHBondContact O-CB 3.48Å; E155-A159 PolarHBondContact O-N 3.48Å; A159-M164 HydrophobicContact CB-CB 3.88Å; A159-R165 HydrophobicContact CB-CB 4.5Å; A159-R165 HydrophobicContact CB-CG 3.56Å; A159-R165 PolarHBondContact O-NE 3.09Å; A159-R165 PolarHBondContact O-NH2 3.42Å; A159-R165 VanDerWaalsContact O-NH2 3.16Å | ||
| 160 | E | 88 | Confident | 94 | Very high | 177 Ų | 177 | 54 Ų | 54 | 83% | 0.827 | 27% | 0.267 | S | S | * | . | trans | -81.1 | -39 | -176.6 | -60.1 | -174.7 | 166.8 | 0 | 0 | 112.4 | T158 | T158-E160 PolarHBondContact O-N 3.36Š| ||
| 161 | S | 91.1 | Very high | 93.8 | Very high | 49 Ų | 49 | 56 Ų | 56 | 34% | 0.343 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -95.8 | 155.7 | -175.8 | 79.6 | 0 | 0 | 0 | 0 | 113.5 | D163 M164 R165 | S161-D163 VanDerWaalsContact C-N 3.28Å; S161-D163 PolarHBondContact O-N 2.78Å; S161-M164 PolarHBondContact O-N 3.06Å; S161-M164 WeakPolarHBondContact OG-CB 3.34Å; S161-M164 VanDerWaalsContact OG-CG 3.26Å; S161-M164 WeakPolarHBondContact OG-CG 3.36Å; S161-M164 PolarHBondContact OG-N 3.12Å; S161-M164 VanDerWaalsContact OG-N 3.15Å; S161-R165 WeakPolarHBondContact O-CG 3.31Å; S161-R165 PolarHBondContact O-N 3.45Å |
| 162 | Y | 90.9 | Very high | 93.7 | Very high | 92 Ų | 92 | 53.2 Ų | 53.2 | 36% | 0.361 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -59.6 | -38.6 | 175.3 | -175.9 | -89.3 | 0 | 0 | 0 | 112.2 | L95 K98 L166 | L95-Y162 HydrophobicContact CD2-CD1 4.23Å; L95-Y162 HydrophobicContact CD2-CD2 4.05Å; L95-Y162 HydrophobicContact CD2-CE1 3.76Å; L95-Y162 HydrophobicContact CD2-CE2 3.56Å; L95-Y162 HydrophobicContact CD2-CG 4.36Å; L95-Y162 HydrophobicContact CG-CE2 3.85Å; K98-Y162 HydrophobicContact CD-CE1 4.04Å; Y162-L166 WeakPolarHBondContact O-CB 3.47Å; Y162-L166 PolarHBondContact O-N 2.85Å |
| 163 | D | 93.2 | Very high | 93.5 | Very high | 87 Ų | 87 | 52.8 Ų | 52.8 | 47% | 0.465 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -75.2 | -34.8 | -177.8 | -67.4 | -50.8 | 0 | 0 | 0 | 112.9 | K98 S161 L166 Q167 | K98-D163 IonicContact NZ-OD1 3.43Å; K98-D163 PolarHBondContact NZ-OD1 3.43Å; S161-D163 VanDerWaalsContact C-N 3.28Å; S161-D163 PolarHBondContact O-N 2.78Å; D163-L166 WeakPolarHBondContact O-CB 3.49Å; D163-L166 PolarHBondContact O-N 2.9Å; D163-Q167 WeakPolarHBondContact O-CG 3.41Å; D163-Q167 PolarHBondContact O-N 3.29Å |
| 164 | M | 94.3 | Very high | 93.3 | Very high | 96 Ų | 96 | 59.5 Ų | 59.5 | 47% | 0.473 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -62.2 | -46.2 | 170.9 | -73.6 | 174.8 | 76.3 | 0 | 0 | 111 | A159 S161 L166 Q167 V168 | A159-M164 HydrophobicContact CB-CB 3.88Å; S161-M164 PolarHBondContact O-N 3.06Å; S161-M164 WeakPolarHBondContact OG-CB 3.34Å; S161-M164 VanDerWaalsContact OG-CG 3.26Å; S161-M164 WeakPolarHBondContact OG-CG 3.36Å; S161-M164 PolarHBondContact OG-N 3.12Å; S161-M164 VanDerWaalsContact OG-N 3.15Å; M164-L166 VanDerWaalsContact C-N 3.25Å; M164-L166 PolarHBondContact O-N 3.24Å; M164-Q167 PolarHBondContact O-N 3.06Å; M164-Q167 VanDerWaalsContact O-N 3.14Å; M164-V168 WeakPolarHBondContact O-CG2 3.22Å; M164-V168 PolarHBondContact O-N 3.24Å |
| 165 | R | 94.8 | Very high | 93.1 | Very high | 56 Ų | 56 | 59.6 Ų | 59.6 | 21% | 0.211 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -59.2 | -39 | 175.7 | -69.4 | 178.4 | -172.9 | 175 | 4.7 | 111.9 | L95 L156 A159 S161 L169 | L95-R165 HydrophobicContact CD1-CB 4.39Å; L156-R165 HydrophobicContact CD1-CB 4.05Å; L156-R165 HydrophobicContact CD1-CG 4.19Å; A159-R165 HydrophobicContact CB-CB 4.5Å; A159-R165 HydrophobicContact CB-CG 3.56Å; A159-R165 PolarHBondContact O-NE 3.09Å; A159-R165 PolarHBondContact O-NH2 3.42Å; A159-R165 VanDerWaalsContact O-NH2 3.16Å; S161-R165 WeakPolarHBondContact O-CG 3.31Å; S161-R165 PolarHBondContact O-N 3.45Å; R165-L169 VanDerWaalsContact O-CB 3.23Å; R165-L169 WeakPolarHBondContact O-CB 3.4Å; R165-L169 PolarHBondContact O-N 3.22Å |
| 166 | L | 94.9 | Very high | 93 | Very high | 2 Ų | 2 | 55.3 Ų | 55.3 | 1% | 0.01 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -64.7 | -43.1 | 175.7 | 179 | 68 | 0 | 0 | 0 | 112.2 | L95 K98 A99 Y162 D163 M164 L169 R170 | L95-L166 HydrophobicContact CD2-CB 3.88Å; L95-L166 HydrophobicContact CD2-CD1 4.13Å; L95-L166 WeakPolarHBondContact O-CD1 3.29Å; K98-L166 HydrophobicContact CB-CD1 4Å; K98-L166 HydrophobicContact CD-CD1 4.32Å; K98-L166 HydrophobicContact CD-CD2 3.51Å; K98-L166 VanDerWaalsContact CE-CD2 3.42Å; K98-L166 HydrophobicContact CG-CD1 4.11Å; K98-L166 HydrophobicContact CG-CD2 3.86Å; A99-L166 HydrophobicContact CB-CD1 3.98Å; Y162-L166 WeakPolarHBondContact O-CB 3.47Å; Y162-L166 PolarHBondContact O-N 2.85Å; D163-L166 WeakPolarHBondContact O-CB 3.49Å; D163-L166 PolarHBondContact O-N 2.9Å; M164-L166 VanDerWaalsContact C-N 3.25Å; M164-L166 PolarHBondContact O-N 3.24Å; L166-L169 PolarHBondContact O-N 3.4Å; L166-R170 HydrophobicContact CD1-CG 4.41Å; L166-R170 WeakPolarHBondContact O-CB 3.07Å; L166-R170 VanDerWaalsContact O-CG 3.25Å; L166-R170 WeakPolarHBondContact O-CG 3.47Å; L166-R170 PolarHBondContact O-N 2.97Å |
| 167 | Q | 95.5 | Very high | 93 | Very high | 129 Ų | 129 | 56.1 Ų | 56.1 | 60% | 0.603 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -63.1 | -48.1 | 178.4 | -75.2 | 175.3 | -14.8 | 0 | 0 | 111.7 | D163 M164 L169 R170 S171 | D163-Q167 WeakPolarHBondContact O-CG 3.41Å; D163-Q167 PolarHBondContact O-N 3.29Å; M164-Q167 PolarHBondContact O-N 3.06Å; M164-Q167 VanDerWaalsContact O-N 3.14Å; Q167-L169 PolarHBondContact O-N 3.24Å; Q167-R170 WeakPolarHBondContact O-CB 3.27Å; Q167-R170 PolarHBondContact O-N 2.78Å; Q167-S171 PolarHBondContact O-N 3.12Å |
| 168 | V | 95.3 | Very high | 93 | Very high | 22 Ų | 22 | 56 Ų | 56 | 13% | 0.133 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -60.7 | -46.1 | 176.7 | 177.9 | 0 | 0 | 0 | 0 | 110.5 | H152 E155 L156 M164 R170 S171 L172 | H152-V168 WeakPolarHBondContact O-CG1 3.07Å; E155-V168 HydrophobicContact CB-CG1 4.16Å; E155-V168 HydrophobicContact CB-CG2 4.19Å; L156-V168 HydrophobicContact CB-CG1 3.94Å; L156-V168 HydrophobicContact CD1-CB 4.42Å; L156-V168 HydrophobicContact CD1-CG1 4.41Å; M164-V168 WeakPolarHBondContact O-CG2 3.22Å; M164-V168 PolarHBondContact O-N 3.24Å; V168-R170 PolarHBondContact O-N 2.89Å; V168-S171 PolarHBondContact O-N 2.84Å; V168-L172 WeakPolarHBondContact O-CB 3.32Å; V168-L172 PolarHBondContact O-N 3.22Å |
| 169 | L | 93.7 | Very high | 92.9 | Very high | 4 Ų | 4 | 54.5 Ų | 54.5 | 2% | 0.021 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.9 | -39.4 | 178.4 | -172.8 | 66.5 | 0 | 0 | 0 | 112 | L92 L95 I96 R165 L166 Q167 L172 L173 | L92-L169 HydrophobicContact CD1-CD1 4.47Å; L92-L169 HydrophobicContact CD1-CD2 4Å; L95-L169 HydrophobicContact CB-CD2 3.64Å; I96-L169 HydrophobicContact CG1-CD2 4.06Å; R165-L169 VanDerWaalsContact O-CB 3.23Å; R165-L169 WeakPolarHBondContact O-CB 3.4Å; R165-L169 PolarHBondContact O-N 3.22Å; L166-L169 PolarHBondContact O-N 3.4Å; Q167-L169 PolarHBondContact O-N 3.24Å; L169-L172 PolarHBondContact O-N 2.92Å; L169-L173 HydrophobicContact CD1-CD1 4.49Å; L169-L173 HydrophobicContact CD1-CG 4.29Å; L169-L173 HydrophobicContact CD2-CD1 4.49Å; L169-L173 HydrophobicContact CG-CD1 4.01Å; L169-L173 HydrophobicContact CG-CG 4.22Å; L169-L173 WeakPolarHBondContact O-CB 3.29Å; L169-L173 WeakPolarHBondContact O-CG 3.13Å; L169-L173 PolarHBondContact O-N 3.31Å |
| 170 | R | 94 | Very high | 93 | Very high | 97 Ų | 97 | 54.4 Ų | 54.4 | 37% | 0.366 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -59.3 | -48.7 | 175.1 | -82.8 | 173.8 | 171.8 | 166 | 0.9 | 111.6 | K98 A99 L166 Q167 V168 L172 L173 Q174 | K98-R170 PolarHBondContact O-NH2 3.22Å; A99-R170 HydrophobicContact CB-CG 3.59Å; L166-R170 HydrophobicContact CD1-CG 4.41Å; L166-R170 WeakPolarHBondContact O-CB 3.07Å; L166-R170 VanDerWaalsContact O-CG 3.25Å; L166-R170 WeakPolarHBondContact O-CG 3.47Å; L166-R170 PolarHBondContact O-N 2.97Å; Q167-R170 WeakPolarHBondContact O-CB 3.27Å; Q167-R170 PolarHBondContact O-N 2.78Å; V168-R170 PolarHBondContact O-N 2.89Å; R170-L172 VanDerWaalsContact C-N 3.35Å; R170-L172 PolarHBondContact O-N 2.89Å; R170-L173 PolarHBondContact O-N 2.97Å; R170-Q174 VanDerWaalsContact O-CG 3.32Å; R170-Q174 WeakPolarHBondContact O-CG 3.49Å; R170-Q174 PolarHBondContact O-N 2.73Å |
| 171 | S | 92.9 | Very high | 93.3 | Very high | 43 Ų | 43 | 46 Ų | 46 | 30% | 0.301 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -56.3 | -50.7 | 175.6 | -177.7 | 0 | 0 | 0 | 0 | 110.8 | Q167 V168 L173 Q174 L175 | Q167-S171 PolarHBondContact O-N 3.12Å; V168-S171 PolarHBondContact O-N 2.84Å; S171-L173 PolarHBondContact O-N 2.77Å; S171-Q174 PolarHBondContact O-N 3.42Å; S171-Q174 VanDerWaalsContact O-N 3.12Å; S171-L175 WeakPolarHBondContact O-CG 3.32Å; S171-L175 PolarHBondContact O-N 2.85Å; S171-L175 VanDerWaalsContact O-N 3.15Å |
| 172 | L | 92.9 | Very high | 93.3 | Very high | 1 Ų | 1 | 44.7 Ų | 44.7 | 1% | 0.005 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -60.4 | -42.7 | -178.7 | -171.3 | 63.2 | 0 | 0 | 0 | 112.6 | L144 L149 H152 V168 L169 R170 L175 T176 I184 | L144-L172 HydrophobicContact CD1-CD1 3.75Å; L149-L172 HydrophobicContact CD1-CD1 4.07Å; H152-L172 HydrophobicContact CB-CD1 3.89Å; V168-L172 WeakPolarHBondContact O-CB 3.32Å; V168-L172 PolarHBondContact O-N 3.22Å; L169-L172 PolarHBondContact O-N 2.92Å; R170-L172 VanDerWaalsContact C-N 3.35Å; R170-L172 PolarHBondContact O-N 2.89Å; L172-L175 PolarHBondContact O-N 3.14Å; L172-T176 HydrophobicContact CD1-CG2 4.28Å; L172-T176 WeakPolarHBondContact O-CB 3.45Å; L172-T176 VanDerWaalsContact O-CG2 3.3Å; L172-T176 WeakPolarHBondContact O-CG2 3.12Å; L172-T176 PolarHBondContact O-N 2.91Å; L172-T176 PolarHBondContact O-OG1 2.72Å; L172-I184 HydrophobicContact CD1-CD1 4.01Å; L172-I184 HydrophobicContact CD2-CD1 3.95Å; L172-I184 HydrophobicContact CD2-CG1 4.49Å; L172-I184 HydrophobicContact CD2-CG2 3.68Å; L172-I184 HydrophobicContact CG-CD1 3.87Å |
| 173 | L | 91.7 | Very high | 93.4 | Very high | 17 Ų | 17 | 40.4 Ų | 40.4 | 9% | 0.089 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -68.4 | -30.8 | 177.7 | -67.4 | 177 | 0 | 0 | 0 | 112.7 | A99 I100 L169 R170 S171 Q181 | A99-L173 HydrophobicContact CB-CD1 3.8Å; I100-L173 HydrophobicContact CG2-CD1 4.07Å; L169-L173 HydrophobicContact CD1-CD1 4.49Å; L169-L173 HydrophobicContact CD1-CG 4.29Å; L169-L173 HydrophobicContact CD2-CD1 4.49Å; L169-L173 HydrophobicContact CG-CD1 4.01Å; L169-L173 HydrophobicContact CG-CG 4.22Å; L169-L173 WeakPolarHBondContact O-CB 3.29Å; L169-L173 WeakPolarHBondContact O-CG 3.13Å; L169-L173 PolarHBondContact O-N 3.31Å; R170-L173 PolarHBondContact O-N 2.97Å; S171-L173 PolarHBondContact O-N 2.77Å; L173-Q181 HydrophobicContact CD2-CB 4.29Å; L173-Q181 VanDerWaalsContact CD2-CD 3.47Å; L173-Q181 HydrophobicContact CD2-CG 3.68Å; L173-Q181 PolarHBondContact O-NE2 2.83Å |
| 174 | Q | 90.2 | Very high | 93.4 | Very high | 140 Ų | 140 | 36.4 Ų | 36.4 | 65% | 0.654 | 18% | 0.177 | S | C | * | . | H | α-helix | trans | -73 | -28 | 176.4 | -74.7 | 173.6 | -13.5 | 0 | 0 | 113 | R139 R170 S171 | R139-Q174 VanDerWaalsContact CD-O 3.23Å; R139-Q174 WeakPolarHBondContact CD-O 3.37Å; R170-Q174 VanDerWaalsContact O-CG 3.32Å; R170-Q174 WeakPolarHBondContact O-CG 3.49Å; R170-Q174 PolarHBondContact O-N 2.73Å; S171-Q174 PolarHBondContact O-N 3.42Å; S171-Q174 VanDerWaalsContact O-N 3.12Å |
| 175 | L | 92.4 | Very high | 93.3 | Very high | 50 Ų | 50 | 32.1 Ų | 32.1 | 26% | 0.262 | 16% | 0.156 | S | C | . | . | S | Bend | trans | -94.4 | -2.4 | -175.7 | -63.7 | 173.8 | 0 | 0 | 0 | 114.1 | L144 S171 L172 | L144-L175 HydrophobicContact CD1-CB 4.2Å; L144-L175 HydrophobicContact CD2-CB 4.02Å; L144-L175 HydrophobicContact CD2-CD1 3.95Å; L144-L175 HydrophobicContact CG-CB 4.06Å; S171-L175 WeakPolarHBondContact O-CG 3.32Å; S171-L175 PolarHBondContact O-N 2.85Å; S171-L175 VanDerWaalsContact O-N 3.15Å; L172-L175 PolarHBondContact O-N 3.14Å |
| 176 | T | 93.7 | Very high | 93 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 15% | 0.15 | C | C | . | . | S | Bend | trans | -126.2 | 148.7 | -171.6 | 53.8 | 0 | 0 | 0 | 0 | 113.1 | F16 L144 L172 E180 Q181 I184 | F16-T176 HydrophobicContact CD1-CG2 4.35Å; F16-T176 HydrophobicContact CE1-CG2 4.33Å; L144-T176 HydrophobicContact CD1-CG2 3.59Å; L144-T176 HydrophobicContact CG-CG2 4.37Å; L172-T176 HydrophobicContact CD1-CG2 4.28Å; L172-T176 WeakPolarHBondContact O-CB 3.45Å; L172-T176 VanDerWaalsContact O-CG2 3.3Å; L172-T176 WeakPolarHBondContact O-CG2 3.12Å; L172-T176 PolarHBondContact O-N 2.91Å; L172-T176 PolarHBondContact O-OG1 2.72Å; T176-E180 HydrophobicContact CG2-CB 4.34Å; T176-Q181 PolarHBondContact O-NE2 3.31Å; T176-Q181 WeakPolarHBondContact OG1-CG 3.23Å; T176-Q181 PolarHBondContact OG1-NE2 3.48Å; T176-I184 HydrophobicContact CG2-CD1 3.85Å |
| 177 | T | 94 | Very high | 92.8 | Very high | 18 Ų | 18 | 30.7 Ų | 30.7 | 11% | 0.11 | 15% | 0.151 | C | C | . | . | trans | -73.2 | 161.9 | 172.6 | 64.7 | 0 | 0 | 0 | 0 | 111.4 | E140 L179 E180 Q181 | E140-T177 WeakPolarHBondContact O-CG2 3.44Å; T177-L179 PolarHBondContact O-N 2.83Å; T177-E180 WeakPolarHBondContact CG2-OE2 3.43Å; T177-E180 PolarHBondContact N-OE2 3.18Å; T177-E180 WeakPolarHBondContact O-CB 3.49Å; T177-E180 PolarHBondContact O-N 3.03Å; T177-E180 VanDerWaalsContact O-N 3.09Å; T177-E180 WeakPolarHBondContact OG1-CB 3.44Å; T177-E180 VanDerWaalsContact OG1-CG 3.32Å; T177-E180 WeakPolarHBondContact OG1-CG 3.48Å; T177-E180 PolarHBondContact OG1-N 3.39Å; T177-E180 PolarHBondContact OG1-OE2 3.25Å; T177-Q181 VanDerWaalsContact O-CG 3.3Å; T177-Q181 WeakPolarHBondContact O-CG 3.28Å; T177-Q181 PolarHBondContact O-N 3.48Å | ||
| 178 | A | 93.1 | Very high | 92.6 | Very high | 9 Ų | 9 | 24.8 Ų | 24.8 | 7% | 0.074 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -58.6 | -35.8 | 178 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y131 R135 C138 Q181 K182 | Y131-A178 HydrophobicContact CD2-CB 4.1Å; Y131-A178 WeakPolarHBondContact CD2-O 3.21Å; Y131-A178 HydrophobicContact CE2-CB 4.03Å; R135-A178 HydrophobicContact CB-CB 4.18Å; C138-A178 HydrophobicContact CB-CB 4.22Å; A178-Q181 PolarHBondContact O-N 3.46Å; A178-K182 PolarHBondContact O-N 3.21Å; A178-K182 VanDerWaalsContact O-N 3.09Å |
| 179 | L | 92.1 | Very high | 92 | Very high | 53 Ų | 53 | 26.2 Ų | 26.2 | 28% | 0.277 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -66 | -39.8 | 176.9 | 179.8 | 62.4 | 0 | 0 | 0 | 111.8 | E24 Y131 T177 K182 W183 | E24-L179 HydrophobicContact CG-CD1 3.94Å; E24-L179 HydrophobicContact CG-CD2 4.39Å; E24-L179 WeakPolarHBondContact OE1-CD1 3.32Å; Y131-L179 HydrophobicContact CE2-CB 4.32Å; T177-L179 PolarHBondContact O-N 2.83Å; L179-K182 HydrophobicContact CD1-CD 4.3Å; L179-K182 WeakPolarHBondContact O-CB 3.44Å; L179-K182 PolarHBondContact O-N 2.87Å; L179-W183 PolarHBondContact O-N 3.4Å |
| 180 | E | 94.5 | Very high | 91 | Very high | 1 Ų | 1 | 31.1 Ų | 31.1 | 1% | 0.005 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -66.5 | -42.6 | 176.1 | -80.7 | 170.6 | 153 | 0 | 0 | 111.8 | F16 T17 C20 S142 T176 T177 K182 W183 I184 | F16-E180 HydrophobicContact CD1-CB 3.87Å; F16-E180 HydrophobicContact CD1-CG 3.58Å; F16-E180 HydrophobicContact CE1-CB 3.42Å; F16-E180 VanDerWaalsContact CE1-CB 3.42Å; F16-E180 HydrophobicContact CE1-CG 3.58Å; F16-E180 HydrophobicContact CG-CG 4.33Å; F16-E180 HydrophobicContact CZ-CB 4.19Å; F16-E180 HydrophobicContact CZ-CG 4.29Å; T17-E180 WeakPolarHBondContact CA-OE1 3.28Å; T17-E180 PolarHBondContact N-OE1 3.29Å; T17-E180 VanDerWaalsContact N-OE1 3.11Å; T17-E180 PolarHBondContact OG1-OE1 2.99Å; C20-E180 HydrophobicContact CB-CG 4.38Å; S142-E180 WeakPolarHBondContact CB-OE1 3.22Å; S142-E180 WeakPolarHBondContact CB-OE2 3.4Å; S142-E180 VanDerWaalsContact OG-CD 3.25Å; S142-E180 PolarHBondContact OG-OE1 3.02Å; S142-E180 PolarHBondContact OG-OE2 2.93Å; T176-E180 HydrophobicContact CG2-CB 4.34Å; T177-E180 WeakPolarHBondContact CG2-OE2 3.43Å; T177-E180 PolarHBondContact N-OE2 3.18Å; T177-E180 WeakPolarHBondContact O-CB 3.49Å; T177-E180 PolarHBondContact O-N 3.03Å; T177-E180 VanDerWaalsContact O-N 3.09Å; T177-E180 WeakPolarHBondContact OG1-CB 3.44Å; T177-E180 VanDerWaalsContact OG1-CG 3.32Å; T177-E180 WeakPolarHBondContact OG1-CG 3.48Å; T177-E180 PolarHBondContact OG1-N 3.39Å; T177-E180 PolarHBondContact OG1-OE2 3.25Å; E180-K182 VanDerWaalsContact C-N 3.29Å; E180-K182 PolarHBondContact O-N 3.43Å; E180-W183 PolarHBondContact O-N 2.83Å; E180-W183 VanDerWaalsContact O-N 3.1Å; E180-I184 WeakPolarHBondContact O-CG1 3.41Å; E180-I184 PolarHBondContact O-N 2.91Å |
| 181 | Q | 93.8 | Very high | 90.2 | Very high | 1 Ų | 1 | 30.5 Ų | 30.5 | 1% | 0.005 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -60 | -39.1 | 175.7 | -66.5 | 175.3 | 17.1 | 0 | 0 | 112.2 | L134 C138 L173 T176 T177 A178 W183 I184 I185 | L134-Q181 HydrophobicContact CD1-CB 4.39Å; C138-Q181 PolarHBondContact SG-NE2 3.03Å; C138-Q181 PolarHBondContact SG-OE1 2.85Å; L173-Q181 HydrophobicContact CD2-CB 4.29Å; L173-Q181 VanDerWaalsContact CD2-CD 3.47Å; L173-Q181 HydrophobicContact CD2-CG 3.68Å; L173-Q181 PolarHBondContact O-NE2 2.83Å; T176-Q181 PolarHBondContact O-NE2 3.31Å; T176-Q181 WeakPolarHBondContact OG1-CG 3.23Å; T176-Q181 PolarHBondContact OG1-NE2 3.48Å; T177-Q181 VanDerWaalsContact O-CG 3.3Å; T177-Q181 WeakPolarHBondContact O-CG 3.28Å; T177-Q181 PolarHBondContact O-N 3.48Å; A178-Q181 PolarHBondContact O-N 3.46Å; Q181-W183 VanDerWaalsContact C-N 3.32Å; Q181-W183 PolarHBondContact O-N 3.22Å; Q181-I184 PolarHBondContact O-N 2.84Å; Q181-I185 WeakPolarHBondContact O-CB 3.49Å; Q181-I185 WeakPolarHBondContact O-CD1 3.23Å; Q181-I185 WeakPolarHBondContact O-CG1 3.46Å; Q181-I185 PolarHBondContact O-N 2.97Å |
| 182 | K | 92.1 | Very high | 89.4 | Confident | 21 Ų | 21 | 32 Ų | 32 | 9% | 0.091 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -53.8 | -48.9 | 172.6 | 177.3 | -169.9 | 170.2 | -174.2 | 0 | 111.2 | E24 A127 D128 Y131 A178 L179 E180 I185 R186 | E24-K182 IonicContact OE1-NZ 3.44Å; E24-K182 PolarHBondContact OE1-NZ 2.82Å; A127-K182 HydrophobicContact CB-CG 4.06Å; A127-K182 WeakPolarHBondContact CB-O 3.06Å; D128-K182 WeakPolarHBondContact OD1-CE 3.36Å; D128-K182 IonicContact OD1-NZ 3.53Å; D128-K182 PolarHBondContact OD1-NZ 2.92Å; Y131-K182 HydrophobicContact CD2-CB 4.25Å; Y131-K182 HydrophobicContact CD2-CD 4.36Å; Y131-K182 HydrophobicContact CG-CD 4.32Å; A178-K182 PolarHBondContact O-N 3.21Å; A178-K182 VanDerWaalsContact O-N 3.09Å; L179-K182 HydrophobicContact CD1-CD 4.3Å; L179-K182 WeakPolarHBondContact O-CB 3.44Å; L179-K182 PolarHBondContact O-N 2.87Å; E180-K182 VanDerWaalsContact C-N 3.29Å; E180-K182 PolarHBondContact O-N 3.43Å; K182-I185 PolarHBondContact O-N 2.69Å; K182-R186 VanDerWaalsContact CE-NH1 3.34Å; K182-R186 PolarHBondContact O-N 2.6Å |
| 183 | W | 92.7 | Very high | 88.8 | Confident | 1 Ų | 1 | 32 Ų | 32 | 0% | 0.004 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -71.5 | -38.2 | -179.5 | -69 | 113.2 | 0 | 0 | 0 | 112.8 | L23 E24 A27 L179 E180 Q181 I185 R186 L187 S193 | L23-W183 HydrophobicContact CB-CD2 3.97Å; L23-W183 HydrophobicContact CB-CE3 4.18Å; L23-W183 HydrophobicContact CB-CH2 3.74Å; L23-W183 HydrophobicContact CB-CZ2 3.52Å; L23-W183 HydrophobicContact CB-CZ3 4.08Å; L23-W183 HydrophobicContact CD1-CB 4.25Å; L23-W183 HydrophobicContact CD1-CD2 3.44Å; L23-W183 VanDerWaalsContact CD1-CD2 3.44Å; L23-W183 HydrophobicContact CD1-CE3 3.4Å; L23-W183 HydrophobicContact CD1-CG 3.85Å; L23-W183 HydrophobicContact CD1-CH2 4.4Å; L23-W183 HydrophobicContact CD1-CZ2 4.46Å; L23-W183 HydrophobicContact CD1-CZ3 3.92Å; L23-W183 HydrophobicContact CG-CD2 4.41Å; L23-W183 HydrophobicContact CG-CE3 4.45Å; E24-W183 HydrophobicContact CG-CZ2 3.99Å; E24-W183 WeakPolarHBondContact OE1-CZ2 3.33Å; E24-W183 PolarHBondContact OE1-NE1 3.47Å; A27-W183 HydrophobicContact CB-CH2 4.14Å; L179-W183 PolarHBondContact O-N 3.4Å; E180-W183 PolarHBondContact O-N 2.83Å; E180-W183 VanDerWaalsContact O-N 3.1Å; Q181-W183 VanDerWaalsContact C-N 3.32Å; Q181-W183 PolarHBondContact O-N 3.22Å; W183-I185 VanDerWaalsContact C-N 3.3Å; W183-I185 PolarHBondContact O-N 3.45Å; W183-R186 WeakPolarHBondContact O-CB 3.47Å; W183-R186 PolarHBondContact O-N 2.88Å; W183-R186 VanDerWaalsContact O-N 3.15Å; W183-L187 WeakPolarHBondContact O-CG 2.99Å; W183-L187 PolarHBondContact O-N 2.89Å; W183-S193 WeakPolarHBondContact CZ3-O 3.32Å |
| 184 | I | 93.6 | Very high | 88.2 | Confident | 4 Ų | 4 | 32.4 Ų | 32.4 | 2% | 0.021 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -55.7 | -46.7 | 171.9 | -71.3 | 164.3 | 0 | 0 | 0 | 110.9 | F16 L149 L172 T176 E180 Q181 R186 L187 I188 | F16-I184 HydrophobicContact CE1-CD1 3.66Å; F16-I184 HydrophobicContact CE1-CG1 3.85Å; F16-I184 HydrophobicContact CZ-CD1 4.13Å; F16-I184 HydrophobicContact CZ-CG1 3.77Å; L149-I184 HydrophobicContact CD1-CD1 4.06Å; L149-I184 HydrophobicContact CD1-CG1 3.93Å; L172-I184 HydrophobicContact CD1-CD1 4.01Å; L172-I184 HydrophobicContact CD2-CD1 3.95Å; L172-I184 HydrophobicContact CD2-CG1 4.49Å; L172-I184 HydrophobicContact CD2-CG2 3.68Å; L172-I184 HydrophobicContact CG-CD1 3.87Å; T176-I184 HydrophobicContact CG2-CD1 3.85Å; E180-I184 WeakPolarHBondContact O-CG1 3.41Å; E180-I184 PolarHBondContact O-N 2.91Å; Q181-I184 PolarHBondContact O-N 2.84Å; I184-R186 VanDerWaalsContact C-N 3.3Å; I184-R186 PolarHBondContact O-N 3.28Å; I184-L187 WeakPolarHBondContact O-CB 3.08Å; I184-L187 PolarHBondContact O-N 3.22Å; I184-I188 HydrophobicContact CG2-CD1 3.68Å; I184-I188 HydrophobicContact CG2-CG1 4.45Å; I184-I188 WeakPolarHBondContact O-CG1 3.2Å; I184-I188 PolarHBondContact O-N 3.24Å |
| 185 | I | 91.7 | Very high | 88 | Confident | 6 Ų | 6 | 25.8 Ų | 25.8 | 3% | 0.031 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -61.2 | -40.2 | 179.3 | -70.1 | 166.8 | 0 | 0 | 0 | 110.9 | L92 I96 F126 A127 A130 L134 Q181 K182 W183 I188 V189 | L92-I185 HydrophobicContact CD2-CG1 4.35Å; L92-I185 HydrophobicContact CD2-CG2 4.08Å; I96-I185 HydrophobicContact CD1-CD1 3.82Å; I96-I185 HydrophobicContact CD1-CG1 4.2Å; F126-I185 HydrophobicContact CD1-CG2 3.44Å; F126-I185 VanDerWaalsContact CD1-CG2 3.44Å; F126-I185 HydrophobicContact CE1-CG2 3.54Å; A127-I185 HydrophobicContact CB-CB 4.09Å; A127-I185 HydrophobicContact CB-CG2 3.82Å; A130-I185 HydrophobicContact CB-CD1 3.45Å; A130-I185 VanDerWaalsContact CB-CD1 3.45Å; L134-I185 HydrophobicContact CD1-CD1 4.19Å; Q181-I185 WeakPolarHBondContact O-CB 3.49Å; Q181-I185 WeakPolarHBondContact O-CD1 3.23Å; Q181-I185 WeakPolarHBondContact O-CG1 3.46Å; Q181-I185 PolarHBondContact O-N 2.97Å; K182-I185 PolarHBondContact O-N 2.69Å; W183-I185 VanDerWaalsContact C-N 3.3Å; W183-I185 PolarHBondContact O-N 3.45Å; I185-I188 PolarHBondContact O-N 3.3Å; I185-V189 HydrophobicContact CG2-CG2 4.24Å; I185-V189 WeakPolarHBondContact O-CB 2.78Å; I185-V189 WeakPolarHBondContact O-CG2 3.29Å; I185-V189 PolarHBondContact O-N 3.47Å |
| 186 | R | 88.9 | Confident | 87.6 | Confident | 22 Ų | 22 | 25.9 Ų | 25.9 | 8% | 0.083 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -62.7 | -45.3 | 175 | -72.2 | -178.5 | 172.1 | 155.9 | 3.6 | 111.9 | D125 A127 D128 K182 W183 I184 I188 K190 | D125-R186 IonicContact OD1-CZ 2.86Å; D125-R186 IonicContact OD1-NE 3.95Å; D125-R186 IonicContact OD1-NH2 3.83Å; D125-R186 PolarHBondContact OD1-NH2 2.54Å; D125-R186 IonicContact OD2-CZ 2.94Å; D125-R186 IonicContact OD2-NE 2.93Å; D125-R186 PolarHBondContact OD2-NE 2.79Å; D125-R186 IonicContact OD2-NH2 3.41Å; D125-R186 PolarHBondContact OD2-NH2 3.14Å; A127-R186 HydrophobicContact CB-CG 3.5Å; D128-R186 IonicContact OD1-NH2 3.38Å; D128-R186 PolarHBondContact OD1-NH2 2.69Å; D128-R186 IonicContact OD2-NH2 2.68Å; D128-R186 PolarHBondContact OD2-NH2 3.31Å; K182-R186 VanDerWaalsContact CE-NH1 3.34Å; K182-R186 PolarHBondContact O-N 2.6Å; W183-R186 WeakPolarHBondContact O-CB 3.47Å; W183-R186 PolarHBondContact O-N 2.88Å; W183-R186 VanDerWaalsContact O-N 3.15Å; I184-R186 VanDerWaalsContact C-N 3.3Å; I184-R186 PolarHBondContact O-N 3.28Å; R186-I188 VanDerWaalsContact C-N 3.31Å; R186-I188 PolarHBondContact O-N 3.24Å; R186-K190 WeakPolarHBondContact O-CB 3.25Å; R186-K190 PolarHBondContact O-N 3.36Å |
| 187 | L | 91 | Very high | 87.5 | Confident | 5 Ų | 5 | 26.4 Ų | 26.4 | 3% | 0.026 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -58.1 | -42.8 | 177.3 | -68 | 172.1 | 0 | 0 | 0 | 112 | L73 P76 L153 W183 I184 R191 | L73-L187 HydrophobicContact CB-CD2 4.49Å; L73-L187 HydrophobicContact CD2-CD1 3.97Å; L73-L187 WeakPolarHBondContact O-CD2 3.13Å; P76-L187 HydrophobicContact CG-CD2 3.94Å; L153-L187 HydrophobicContact CD1-CD1 4.36Å; W183-L187 WeakPolarHBondContact O-CG 2.99Å; W183-L187 PolarHBondContact O-N 2.89Å; I184-L187 WeakPolarHBondContact O-CB 3.08Å; I184-L187 PolarHBondContact O-N 3.22Å; L187-R191 PolarHBondContact O-N 2.95Å |
| 188 | I | 90.3 | Very high | 87.4 | Confident | 6 Ų | 6 | 28.7 Ų | 28.7 | 3% | 0.031 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -72 | -50.3 | -178.9 | -64.2 | 166.4 | 0 | 0 | 0 | 111.5 | F85 L87 L92 L153 L156 I184 I185 R186 | F85-I188 HydrophobicContact CB-CG2 4.21Å; F85-I188 HydrophobicContact CD2-CB 4.37Å; F85-I188 HydrophobicContact CD2-CG1 4.44Å; F85-I188 HydrophobicContact CD2-CG2 4.18Å; F85-I188 HydrophobicContact CE2-CG1 4.35Å; F85-I188 HydrophobicContact CG-CG2 4.2Å; F85-I188 HydrophobicContact CZ-CG1 4.42Å; L87-I188 HydrophobicContact CB-CG2 3.99Å; L87-I188 HydrophobicContact CD1-CG2 4.23Å; L92-I188 HydrophobicContact CD2-CB 4.41Å; L92-I188 HydrophobicContact CD2-CG2 4.13Å; L153-I188 HydrophobicContact CD2-CG1 4.32Å; L156-I188 HydrophobicContact CD2-CD1 3.64Å; L156-I188 HydrophobicContact CD2-CG1 4.21Å; I184-I188 HydrophobicContact CG2-CD1 3.68Å; I184-I188 HydrophobicContact CG2-CG1 4.45Å; I184-I188 WeakPolarHBondContact O-CG1 3.2Å; I184-I188 PolarHBondContact O-N 3.24Å; I185-I188 PolarHBondContact O-N 3.3Å; R186-I188 VanDerWaalsContact C-N 3.31Å; R186-I188 PolarHBondContact O-N 3.24Å |
| 189 | V | 83.1 | Confident | 87.3 | Confident | 51 Ų | 51 | 29.1 Ų | 29.1 | 31% | 0.309 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -83.3 | -44.5 | -169.3 | 178.4 | 0 | 0 | 0 | 0 | 112.4 | L92 F126 I185 | L92-V189 HydrophobicContact CD2-CG2 3.38Å; F126-V189 HydrophobicContact CD1-CG2 4.29Å; F126-V189 HydrophobicContact CE1-CG2 4.49Å; I185-V189 HydrophobicContact CG2-CG2 4.24Å; I185-V189 WeakPolarHBondContact O-CB 2.78Å; I185-V189 WeakPolarHBondContact O-CG2 3.29Å; I185-V189 PolarHBondContact O-N 3.47Å |
| 190 | K | 71.6 | Confident | 87.3 | Confident | 107 Ų | 107 | 32 Ų | 32 | 47% | 0.465 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -90.2 | -21.7 | -173.2 | -67.8 | -175.3 | 166.1 | -178.2 | 0 | 112.9 | D125 R186 D192 | D125-K190 VanDerWaalsContact OD2-CE 3.28Å; D125-K190 WeakPolarHBondContact OD2-CE 3.49Å; D125-K190 IonicContact OD2-NZ 3.96Å; D125-K190 PolarHBondContact OD2-NZ 3.43Å; R186-K190 WeakPolarHBondContact O-CB 3.25Å; R186-K190 PolarHBondContact O-N 3.36Å; K190-D192 HydrophobicContact CB-CB 4.08Å; K190-D192 PolarHBondContact O-N 2.92Å |
| 191 | R | 77.9 | Confident | 87.3 | Confident | 84 Ų | 84 | 32.2 Ų | 32.2 | 32% | 0.317 | 18% | 0.183 | S | C | . | . | S | Bend | trans | 46 | 41 | -163.6 | -72.4 | -172.8 | 154.3 | -152.9 | -16.3 | 111.4 | P76 S77 K83 L187 | P76-R191 VanDerWaalsContact CG-C 3.48Å; S77-R191 PolarHBondContact N-O 3.47Å; K83-R191 PolarHBondContact O-NH2 3.47Å; L187-R191 PolarHBondContact O-N 2.95Å |
| 192 | D | 76.8 | Confident | 87.4 | Confident | 76 Ų | 76 | 32.3 Ų | 32.3 | 41% | 0.406 | 18% | 0.183 | S | C | . | . | S | Bend | trans | -142.4 | 141.3 | 176 | -179 | 0.6 | 0 | 0 | 0 | 107.4 | K190 G194 | K190-D192 HydrophobicContact CB-CB 4.08Å; K190-D192 PolarHBondContact O-N 2.92Å; D192-G194 PolarHBondContact O-N 3.16Å; D192-G194 PolarHBondContact OD1-N 2.91Å |
| 193 | S | 79.5 | Confident | 87.5 | Confident | 1 Ų | 1 | 31.5 Ų | 31.5 | 1% | 0.007 | 18% | 0.18 | C | C | . | . | trans | -69 | -22 | 173.9 | 59.5 | 0 | 0 | 0 | 0 | 112.2 | L74 W183 C195 | L74-S193 WeakPolarHBondContact O-CB 3.35Å; L74-S193 PolarHBondContact O-OG 2.91Å; W183-S193 WeakPolarHBondContact CZ3-O 3.32Å; S193-C195 PolarHBondContact O-N 3.13Å; S193-C195 PolarHBondContact OG-SG 2.91Å | ||
| 194 | G | 79.5 | Confident | 87.5 | Confident | 24 Ų | 24 | 37 Ų | 37 | 25% | 0.247 | 20% | 0.2 | C | C | . | . | trans | 70.3 | 13.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | D192 G196 | D192-G194 PolarHBondContact O-N 3.16Å; D192-G194 PolarHBondContact OD1-N 2.91Å; G194-G196 PolarHBondContact O-N 3.24Å | ||
| 195 | C | 85.5 | Confident | 87.5 | Confident | 1 Ų | 1 | 37.5 Ų | 37.5 | 1% | 0.007 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -72.2 | -11.7 | 178.6 | 67.1 | 0 | 0 | 0 | 0 | 113.9 | L23 L26 K35 S193 | L23-C195 HydrophobicContact CD2-CB 4.01Å; L26-C195 CarbonylContact C-O 3.52Å; L26-C195 HydrophobicContact CB-CB 3.89Å; L26-C195 HydrophobicContact CD1-CB 4.04Å; K35-C195 PolarHBondContact NZ-O 3.46Å; K35-C195 VanDerWaalsContact NZ-O 3.13Å; S193-C195 PolarHBondContact O-N 3.13Å; S193-C195 PolarHBondContact OG-SG 2.91Å |
| 196 | G | 85.1 | Confident | 87.6 | Confident | 52 Ų | 52 | 37.3 Ų | 37.3 | 54% | 0.536 | 20% | 0.203 | S | C | . | . | S | Bend | trans | 80.5 | 16.7 | -178 | 0 | 0 | 0 | 0 | 0 | 114.6 | G194 | G194-G196 PolarHBondContact O-N 3.24Š|
| 197 | L | 91.4 | Very high | 87.7 | Confident | 12 Ų | 12 | 36.4 Ų | 36.4 | 6% | 0.063 | 20% | 0.2 | C | C | . | . | trans | -104.7 | 142.2 | 166.7 | -69.8 | 176 | 0 | 0 | 0 | 110.1 | L26 V32 K35 E36 L39 I202 | L26-L197 HydrophobicContact CD2-CD1 4.45Å; V32-L197 HydrophobicContact CG1-CD2 4.02Å; K35-L197 HydrophobicContact CB-CD1 4.08Å; K35-L197 HydrophobicContact CB-CD2 3.64Å; K35-L197 HydrophobicContact CB-CG 3.92Å; K35-L197 HydrophobicContact CD-CD2 4.26Å; K35-L197 HydrophobicContact CD-CG 4.36Å; E36-L197 HydrophobicContact CG-CD2 3.9Å; L39-L197 HydrophobicContact CB-CD1 4.4Å; L39-L197 HydrophobicContact CD2-CD1 3.82Å; L197-I202 HydrophobicContact CB-CD1 4.11Å; L197-I202 HydrophobicContact CB-CG1 3.83Å; L197-I202 HydrophobicContact CD1-CG1 4.25Å | ||
| 198 | S | 91.2 | Very high | 87.7 | Confident | 65 Ų | 65 | 39.9 Ų | 39.9 | 46% | 0.455 | 22% | 0.223 | S | C | . | . | trans | -69.7 | 154.1 | 171.2 | 74.2 | 0 | 0 | 0 | 0 | 110.7 | K200 S201 I202 | S198-K200 PolarHBondContact O-N 3.39Å; S198-S201 WeakPolarHBondContact O-CB 3.35Å; S198-S201 PolarHBondContact O-N 3.08Å; S198-S201 WeakPolarHBondContact OG-CB 3.41Å; S198-S201 PolarHBondContact OG-N 3.44Å; S198-S201 PolarHBondContact OG-OG 3.45Å; S198-I202 PolarHBondContact O-N 2.81Å | ||
| 199 | G | 91.7 | Very high | 87.6 | Confident | 19 Ų | 19 | 40.3 Ų | 40.3 | 20% | 0.196 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -57.4 | -35.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | I202 L203 | G199-I202 PolarHBondContact O-N 3.07Å; G199-L203 WeakPolarHBondContact O-CG 3.14Å; G199-L203 PolarHBondContact O-N 3.09Å |
| 200 | K | 92.2 | Very high | 88.1 | Confident | 112 Ų | 112 | 37.9 Ų | 37.9 | 49% | 0.487 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -63.9 | -40.1 | 174.1 | -168.1 | 171.6 | -178.3 | 164.2 | 0 | 112.3 | S198 L203 R204 V211 | S198-K200 PolarHBondContact O-N 3.39Å; K200-L203 PolarHBondContact O-N 3.09Å; K200-R204 WeakPolarHBondContact O-CG 3.26Å; K200-R204 PolarHBondContact O-N 3.47Å; K200-V211 HydrophobicContact CD-CG1 4.32Å; K200-V211 HydrophobicContact CG-CG1 4.13Å; K200-V211 HydrophobicContact CG-CG2 3.86Å |
| 201 | S | 94 | Very high | 89.1 | Confident | 7 Ų | 7 | 33.7 Ų | 33.7 | 5% | 0.049 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -63.7 | -43.9 | 173.3 | -79.1 | 0 | 0 | 0 | 0 | 112.1 | E36 S198 L203 R204 C205 | E36-S201 WeakPolarHBondContact OE1-CB 3.49Å; E36-S201 PolarHBondContact OE1-OG 3.29Å; S198-S201 WeakPolarHBondContact O-CB 3.35Å; S198-S201 PolarHBondContact O-N 3.08Å; S198-S201 WeakPolarHBondContact OG-CB 3.41Å; S198-S201 PolarHBondContact OG-N 3.44Å; S198-S201 PolarHBondContact OG-OG 3.45Å; S201-L203 VanDerWaalsContact C-N 3.33Å; S201-L203 PolarHBondContact O-N 2.61Å; S201-R204 PolarHBondContact O-N 2.71Å; S201-R204 PolarHBondContact OG-NH1 3.23Å; S201-R204 VanDerWaalsContact OG-NH1 3.12Å; S201-C205 PolarHBondContact O-N 3.44Å |
| 202 | I | 95.3 | Very high | 89.8 | Confident | 3 Ų | 3 | 32.8 Ų | 32.8 | 2% | 0.015 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61.5 | -43.3 | 177.2 | -67.6 | 168.1 | 0 | 0 | 0 | 110.7 | L39 L71 L74 I75 L197 S198 G199 C205 F206 | L39-I202 HydrophobicContact CD2-CB 4.28Å; L39-I202 HydrophobicContact CD2-CG1 3.93Å; L39-I202 HydrophobicContact CD2-CG2 4.18Å; L71-I202 HydrophobicContact CD2-CG2 4.26Å; L74-I202 HydrophobicContact CB-CG2 4.23Å; I75-I202 HydrophobicContact CD1-CG2 4.34Å; I75-I202 HydrophobicContact CG2-CB 3.88Å; I75-I202 HydrophobicContact CG2-CD1 3.43Å; I75-I202 VanDerWaalsContact CG2-CD1 3.43Å; I75-I202 HydrophobicContact CG2-CG1 4.22Å; I75-I202 HydrophobicContact CG2-CG2 3.87Å; L197-I202 HydrophobicContact CB-CD1 4.11Å; L197-I202 HydrophobicContact CB-CG1 3.83Å; L197-I202 HydrophobicContact CD1-CG1 4.25Å; S198-I202 PolarHBondContact O-N 2.81Å; G199-I202 PolarHBondContact O-N 3.07Å; I202-C205 PolarHBondContact O-N 2.84Å; I202-F206 WeakPolarHBondContact O-CB 3.4Å; I202-F206 PolarHBondContact O-N 2.77Å |
| 203 | L | 94.9 | Very high | 90.6 | Very high | 4 Ų | 4 | 29.2 Ų | 29.2 | 2% | 0.021 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -62 | -41.5 | 174.8 | -69.4 | 178.5 | 0 | 0 | 0 | 112.3 | I75 G199 K200 S201 C205 F206 H207 A210 V211 F214 L223 | I75-L203 HydrophobicContact CD1-CD2 3.73Å; I75-L203 HydrophobicContact CD1-CG 4.17Å; G199-L203 WeakPolarHBondContact O-CG 3.14Å; G199-L203 PolarHBondContact O-N 3.09Å; K200-L203 PolarHBondContact O-N 3.09Å; S201-L203 VanDerWaalsContact C-N 3.33Å; S201-L203 PolarHBondContact O-N 2.61Å; L203-C205 VanDerWaalsContact C-N 3.35Å; L203-C205 PolarHBondContact O-N 3.28Å; L203-F206 WeakPolarHBondContact O-CB 3.35Å; L203-F206 PolarHBondContact O-N 3.06Å; L203-F206 VanDerWaalsContact O-N 3.13Å; L203-H207 PolarHBondContact O-N 3.39Å; L203-A210 HydrophobicContact CB-CB 4.07Å; L203-A210 HydrophobicContact CD2-CB 4.29Å; L203-A210 WeakPolarHBondContact O-CB 3.41Å; L203-V211 HydrophobicContact CB-CG2 4.07Å; L203-F214 HydrophobicContact CD1-CB 3.74Å; L203-F214 HydrophobicContact CD1-CD1 3.96Å; L203-F214 HydrophobicContact CD1-CD2 4.35Å; L203-F214 HydrophobicContact CD1-CG 3.74Å; L203-L223 HydrophobicContact CD2-CD2 3.53Å |
| 204 | R | 93.1 | Very high | 91.3 | Very high | 116 Ų | 116 | 29.7 Ų | 29.7 | 44% | 0.438 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -61.3 | -41 | 174.7 | -73.3 | -173.3 | -124 | 110.1 | -2.7 | 112.6 | E36 K200 S201 F206 V211 | E36-R204 IonicContact OE1-NH1 3.9Å; E36-R204 PolarHBondContact OE1-NH1 3.15Å; K200-R204 WeakPolarHBondContact O-CG 3.26Å; K200-R204 PolarHBondContact O-N 3.47Å; S201-R204 PolarHBondContact O-N 2.71Å; S201-R204 PolarHBondContact OG-NH1 3.23Å; S201-R204 VanDerWaalsContact OG-NH1 3.12Å; R204-F206 VanDerWaalsContact C-N 3.29Å; R204-V211 HydrophobicContact CG-CG2 3.67Å |
| 205 | C | 93.4 | Very high | 92 | Very high | 15 Ų | 15 | 30.9 Ų | 30.9 | 10% | 0.101 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -65.5 | -33.2 | 174 | -71.4 | 0 | 0 | 0 | 0 | 112.6 | E36 L39 S40 S201 I202 L203 | E36-C205 PolarHBondContact O-SG 3.3Å; L39-C205 HydrophobicContact CB-CB 4.42Å; L39-C205 HydrophobicContact CD2-CB 3.84Å; L39-C205 HydrophobicContact CG-CB 4Å; S40-C205 PolarHBondContact OG-SG 2.95Å; S201-C205 PolarHBondContact O-N 3.44Å; I202-C205 PolarHBondContact O-N 2.84Å; L203-C205 VanDerWaalsContact C-N 3.35Å; L203-C205 PolarHBondContact O-N 3.28Å |
| 206 | F | 93.2 | Very high | 92.5 | Very high | 1 Ų | 1 | 31.1 Ų | 31.1 | 0% | 0.004 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -69.1 | -53.4 | 177.9 | 168 | -122 | 0 | 0 | 0 | 111.8 | R64 L67 L71 I202 L203 R204 A210 L223 I227 | R64-F206 HydrophobicContact CB-CE2 3.84Å; R64-F206 HydrophobicContact CB-CZ 4.43Å; R64-F206 WeakPolarHBondContact O-CE2 3.27Å; L67-F206 HydrophobicContact CB-CD2 4.48Å; L67-F206 HydrophobicContact CB-CE2 4.09Å; L67-F206 HydrophobicContact CD2-CD2 3.64Å; L67-F206 HydrophobicContact CD2-CE2 4.1Å; L71-F206 HydrophobicContact CD1-CD1 4.17Å; L71-F206 HydrophobicContact CD1-CD2 4.13Å; L71-F206 HydrophobicContact CD1-CE1 4.07Å; L71-F206 HydrophobicContact CD1-CE2 4.03Å; L71-F206 HydrophobicContact CD1-CG 4.2Å; L71-F206 HydrophobicContact CD1-CZ 4Å; L71-F206 HydrophobicContact CD2-CB 4.5Å; L71-F206 HydrophobicContact CD2-CG 4.44Å; I202-F206 WeakPolarHBondContact O-CB 3.4Å; I202-F206 PolarHBondContact O-N 2.77Å; L203-F206 WeakPolarHBondContact O-CB 3.35Å; L203-F206 PolarHBondContact O-N 3.06Å; L203-F206 VanDerWaalsContact O-N 3.13Å; R204-F206 VanDerWaalsContact C-N 3.29Å; F206-A210 HydrophobicContact CD1-CB 3.66Å; F206-A210 HydrophobicContact CE1-CB 4.24Å; F206-L223 HydrophobicContact CE1-CD2 4.49Å; F206-I227 HydrophobicContact CE1-CB 4.23Å; F206-I227 HydrophobicContact CE1-CG1 4.02Å; F206-I227 HydrophobicContact CE1-CG2 3.91Å; F206-I227 HydrophobicContact CZ-CB 4.32Å; F206-I227 HydrophobicContact CZ-CG2 3.75Å |
| 207 | H | 91.6 | Very high | 93 | Very high | 4 Ų | 4 | 28.7 Ų | 28.7 | 2% | 0.019 | 16% | 0.16 | C | C | . | . | trans | -160.8 | 140 | 175.1 | -169.9 | -84.8 | 0 | 0 | 0 | 110.2 | L203 A209 A210 I227 | L203-H207 PolarHBondContact O-N 3.39Å; H207-A209 VanDerWaalsContact C-N 3.26Å; H207-A209 VanDerWaalsContact ND1-CB 3.34Å; H207-A209 WeakPolarHBondContact ND1-CB 3.38Å; H207-A209 PolarHBondContact ND1-N 3.35Å; H207-A209 PolarHBondContact O-N 3.42Å; H207-A210 HydrophobicContact CB-CB 4.03Å; H207-A210 VanDerWaalsContact O-CB 3.23Å; H207-A210 WeakPolarHBondContact O-CB 3.19Å; H207-A210 PolarHBondContact O-N 3.19Å; H207-I227 HydrophobicContact CB-CD1 3.98Å; H207-I227 HydrophobicContact CB-CG2 4.21Å | ||
| 208 | P | 89.7 | Confident | 93.1 | Very high | 78 Ų | 78 | 28.7 Ų | 28.7 | 51% | 0.506 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | -38.8 | -179.8 | -28.8 | 37.4 | 0 | 0 | 0 | 113.9 | A210 P233 | P208-A210 VanDerWaalsContact C-N 3.34Å; P208-A210 PolarHBondContact O-N 3.38Å; P208-P233 HydrophobicContact CB-CG 4.5Å; P208-P233 HydrophobicContact CG-CG 3.79Å |
| 209 | A | 90.2 | Very high | 93.3 | Very high | 14 Ų | 14 | 26.5 Ų | 26.5 | 12% | 0.116 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -13.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | H207 V211 S212 V213 I227 I230 F249 | H207-A209 VanDerWaalsContact C-N 3.26Å; H207-A209 VanDerWaalsContact ND1-CB 3.34Å; H207-A209 WeakPolarHBondContact ND1-CB 3.38Å; H207-A209 PolarHBondContact ND1-N 3.35Å; H207-A209 PolarHBondContact O-N 3.42Å; A209-V211 VanDerWaalsContact C-N 3.26Å; A209-V211 PolarHBondContact O-N 2.95Å; A209-S212 PolarHBondContact O-N 2.79Å; A209-S212 VanDerWaalsContact O-N 3.12Å; A209-V213 HydrophobicContact CB-CG2 4.45Å; A209-V213 WeakPolarHBondContact O-CG2 3.36Å; A209-V213 PolarHBondContact O-N 3.31Å; A209-I227 HydrophobicContact CB-CD1 4.38Å; A209-I230 HydrophobicContact CB-CD1 4.09Å; A209-I230 HydrophobicContact CB-CG2 4.35Å; A209-F249 HydrophobicContact CB-CE1 3.92Å; A209-F249 HydrophobicContact CB-CZ 3.81Å |
| 210 | A | 93.5 | Very high | 93.5 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -62.6 | -31.8 | -170.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | L203 F206 H207 P208 F214 L223 I227 | L203-A210 HydrophobicContact CB-CB 4.07Å; L203-A210 HydrophobicContact CD2-CB 4.29Å; L203-A210 WeakPolarHBondContact O-CB 3.41Å; F206-A210 HydrophobicContact CD1-CB 3.66Å; F206-A210 HydrophobicContact CE1-CB 4.24Å; H207-A210 HydrophobicContact CB-CB 4.03Å; H207-A210 VanDerWaalsContact O-CB 3.23Å; H207-A210 WeakPolarHBondContact O-CB 3.19Å; H207-A210 PolarHBondContact O-N 3.19Å; P208-A210 VanDerWaalsContact C-N 3.34Å; P208-A210 PolarHBondContact O-N 3.38Å; A210-F214 WeakPolarHBondContact O-CB 3.38Å; A210-F214 PolarHBondContact O-N 3.35Å; A210-L223 HydrophobicContact CB-CD1 4.17Å; A210-L223 WeakPolarHBondContact O-CD1 3.28Å; A210-I227 HydrophobicContact CB-CD1 4.15Å |
| 211 | V | 92.5 | Very high | 93.6 | Very high | 20 Ų | 20 | 21.7 Ų | 21.7 | 12% | 0.121 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -61.2 | -52.8 | 174.9 | 174.5 | 0 | 0 | 0 | 0 | 110.1 | K200 L203 R204 A209 V213 F214 E215 | K200-V211 HydrophobicContact CD-CG1 4.32Å; K200-V211 HydrophobicContact CG-CG1 4.13Å; K200-V211 HydrophobicContact CG-CG2 3.86Å; L203-V211 HydrophobicContact CB-CG2 4.07Å; R204-V211 HydrophobicContact CG-CG2 3.67Å; A209-V211 VanDerWaalsContact C-N 3.26Å; A209-V211 PolarHBondContact O-N 2.95Å; V211-V213 PolarHBondContact O-N 2.76Å; V211-F214 WeakPolarHBondContact O-CB 3.39Å; V211-F214 PolarHBondContact O-N 3.42Å; V211-F214 VanDerWaalsContact O-N 3.17Å; V211-E215 WeakPolarHBondContact O-CG 3.39Å; V211-E215 PolarHBondContact O-N 2.85Å; V211-E215 VanDerWaalsContact O-N 3.1Å |
| 212 | S | 91.6 | Very high | 93.6 | Very high | 65 Ų | 65 | 22.2 Ų | 22.2 | 46% | 0.455 | 12% | 0.122 | S | C | . | . | H | α-helix | trans | -65.6 | -40.1 | -178.2 | -50.3 | 0 | 0 | 0 | 0 | 112.2 | A209 F214 E215 | A209-S212 PolarHBondContact O-N 2.79Å; A209-S212 VanDerWaalsContact O-N 3.12Å; S212-F214 VanDerWaalsContact C-N 3.29Å; S212-F214 PolarHBondContact O-N 3.23Å; S212-E215 PolarHBondContact O-N 3.3Å |
| 213 | V | 94.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -64.9 | -36.1 | 174.3 | 178.2 | 0 | 0 | 0 | 0 | 111 | A209 V211 E215 V216 T217 L223 R226 I227 I230 F249 | A209-V213 HydrophobicContact CB-CG2 4.45Å; A209-V213 WeakPolarHBondContact O-CG2 3.36Å; A209-V213 PolarHBondContact O-N 3.31Å; V211-V213 PolarHBondContact O-N 2.76Å; V213-E215 VanDerWaalsContact C-N 3.34Å; V213-E215 PolarHBondContact O-N 3.39Å; V213-V216 WeakPolarHBondContact O-CG2 3.34Å; V213-V216 PolarHBondContact O-N 3.36Å; V213-T217 HydrophobicContact CG1-CG2 4.23Å; V213-T217 WeakPolarHBondContact O-CG2 3.31Å; V213-T217 PolarHBondContact O-N 3.07Å; V213-T217 PolarHBondContact O-OG1 3.23Å; V213-L223 HydrophobicContact CB-CD1 3.78Å; V213-L223 HydrophobicContact CG1-CD1 3.64Å; V213-R226 HydrophobicContact CG1-CB 3.71Å; V213-R226 HydrophobicContact CG1-CG 4.38Å; V213-I227 HydrophobicContact CB-CD1 4.5Å; V213-I227 HydrophobicContact CG2-CD1 4.15Å; V213-I230 HydrophobicContact CG2-CD1 3.67Å; V213-F249 HydrophobicContact CG2-CD1 3.99Å; V213-F249 HydrophobicContact CG2-CE1 3.75Å; V213-F249 HydrophobicContact CG2-CZ 4.36Å |
| 214 | F | 94.8 | Very high | 93.6 | Very high | 12 Ų | 12 | 21.9 Ų | 21.9 | 5% | 0.053 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -66.6 | -34.4 | 177.1 | -169.1 | -104.9 | 0 | 0 | 0 | 112.4 | H78 L203 A210 V211 S212 V216 T217 Q218 L220 L223 | H78-F214 HydrophobicContact CB-CE2 3.9Å; H78-F214 HydrophobicContact CB-CZ 3.63Å; H78-F214 AromaticContact CD2-CE1 3.47Å; H78-F214 VanDerWaalsContact CD2-CE1 3.47Å; H78-F214 WeakPolarHBondContact CD2-CE1 3.32Å; H78-F214 AromaticContact CD2-CZ 3.25Å; H78-F214 WeakPolarHBondContact CD2-CZ 3.27Å; H78-F214 AromaticContact CG-CE1 3.95Å; H78-F214 AromaticContact CG-CZ 3.45Å; H78-F214 VanDerWaalsContact CG-CZ 3.45Å; H78-F214 AromaticContact NE2-CE1 3.69Å; H78-F214 AromaticContact NE2-CZ 3.97Å; L203-F214 HydrophobicContact CD1-CB 3.74Å; L203-F214 HydrophobicContact CD1-CD1 3.96Å; L203-F214 HydrophobicContact CD1-CD2 4.35Å; L203-F214 HydrophobicContact CD1-CG 3.74Å; A210-F214 WeakPolarHBondContact O-CB 3.38Å; A210-F214 PolarHBondContact O-N 3.35Å; V211-F214 WeakPolarHBondContact O-CB 3.39Å; V211-F214 PolarHBondContact O-N 3.42Å; V211-F214 VanDerWaalsContact O-N 3.17Å; S212-F214 VanDerWaalsContact C-N 3.29Å; S212-F214 PolarHBondContact O-N 3.23Å; F214-V216 PolarHBondContact O-N 2.92Å; F214-V216 VanDerWaalsContact O-N 3.16Å; F214-T217 WeakPolarHBondContact CA-OG1 3.29Å; F214-T217 PolarHBondContact O-N 2.85Å; F214-Q218 PolarHBondContact O-N 2.95Å; F214-Q218 PolarHBondContact O-NE2 3.26Å; F214-L220 HydrophobicContact CE2-CD2 4.43Å; F214-L223 HydrophobicContact CB-CD1 4.26Å; F214-L223 HydrophobicContact CD2-CD2 4.07Å |
| 215 | E | 94 | Very high | 93.7 | Very high | 48 Ų | 48 | 20.2 Ų | 20.2 | 22% | 0.224 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -60.5 | -22.5 | 174.3 | -61.2 | -57.3 | 163.7 | 0 | 0 | 112.9 | V211 S212 V213 F257 R258 | V211-E215 WeakPolarHBondContact O-CG 3.39Å; V211-E215 PolarHBondContact O-N 2.85Å; V211-E215 VanDerWaalsContact O-N 3.1Å; S212-E215 PolarHBondContact O-N 3.3Å; V213-E215 VanDerWaalsContact C-N 3.34Å; V213-E215 PolarHBondContact O-N 3.39Å; E215-F257 CarbonylContact O-C 3.6Å; E215-F257 WeakPolarHBondContact O-CA 3.14Å; E215-R258 HydrophobicContact CB-CB 4.48Å; E215-R258 WeakPolarHBondContact O-CB 3.2Å; E215-R258 PolarHBondContact O-N 3.41Å; E215-R258 WeakPolarHBondContact OE2-CB 3.28Å; E215-R258 VanDerWaalsContact OE2-CG 3.27Å; E215-R258 WeakPolarHBondContact OE2-CG 3.42Å |
| 216 | V | 94.8 | Very high | 93.6 | Very high | 7 Ų | 7 | 20.8 Ų | 20.8 | 4% | 0.042 | 12% | 0.117 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.9 | 7 | 178.1 | -64.7 | 0 | 0 | 0 | 0 | 114.5 | V213 F214 F249 V251 P256 P497 | V213-V216 WeakPolarHBondContact O-CG2 3.34Å; V213-V216 PolarHBondContact O-N 3.36Å; F214-V216 PolarHBondContact O-N 2.92Å; F214-V216 VanDerWaalsContact O-N 3.16Å; V216-F249 WeakPolarHBondContact CG1-O 3.43Å; V216-V251 HydrophobicContact CG1-CG2 4.11Å; V216-P256 CarbonylContact C-O 3.58Å; V216-P497 HydrophobicContact CG1-CB 4.07Å; V216-P497 HydrophobicContact CG1-CG 3.97Å |
| 217 | T | 95 | Very high | 93.6 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 12% | 0.117 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -128.5 | -34.3 | 179.6 | 51.2 | 0 | 0 | 0 | 0 | 114.7 | V213 F214 D219 P222 V255 P256 | V213-T217 HydrophobicContact CG1-CG2 4.23Å; V213-T217 WeakPolarHBondContact O-CG2 3.31Å; V213-T217 PolarHBondContact O-N 3.07Å; V213-T217 PolarHBondContact O-OG1 3.23Å; F214-T217 WeakPolarHBondContact CA-OG1 3.29Å; F214-T217 PolarHBondContact O-N 2.85Å; T217-D219 PolarHBondContact O-N 2.89Å; T217-P222 HydrophobicContact CG2-CB 3.99Å; T217-P222 HydrophobicContact CG2-CG 4.42Å; T217-V255 HydrophobicContact CG2-CG1 4.15Å; T217-P256 CarbonylContact C-O 3.46Å; T217-P256 WeakPolarHBondContact CA-O 3.45Å; T217-P256 PolarHBondContact N-O 3.23Å; T217-P256 WeakPolarHBondContact O-CG 3.29Å |
| 218 | Q | 94.8 | Very high | 93.5 | Very high | 12 Ų | 12 | 20.5 Ų | 20.5 | 6% | 0.056 | 12% | 0.116 | C | C | . | . | trans | 49.4 | 12.7 | 178.6 | -60.7 | -68.9 | -80.8 | 0 | 0 | 116.4 | R80 F214 P256 F257 R258 | R80-Q218 WeakPolarHBondContact CG-O 3.37Å; F214-Q218 PolarHBondContact O-N 2.95Å; F214-Q218 PolarHBondContact O-NE2 3.26Å; Q218-P256 HydrophobicContact CB-CB 4.2Å; Q218-P256 HydrophobicContact CB-CG 4.17Å; Q218-F257 VanDerWaalsContact CG-C 3.49Å; Q218-R258 HydrophobicContact CG-CB 4.48Å | ||
| 219 | D | 94.5 | Very high | 93.4 | Very high | 20 Ų | 20 | 20.6 Ų | 20.6 | 11% | 0.107 | 11% | 0.112 | C | C | . | . | S | Bend | trans | -143.5 | 147.4 | 175 | -174.3 | 20.9 | 0 | 0 | 0 | 109.8 | R80 S81 T217 P222 L223 | R80-D219 HydrophobicContact CB-CB 3.93Å; R80-D219 VanDerWaalsContact CB-CG 3.47Å; R80-D219 WeakPolarHBondContact CB-OD1 3.43Å; R80-D219 HydrophobicContact CG-CB 3.81Å; R80-D219 PolarHBondContact N-OD1 2.9Å; S81-D219 PolarHBondContact OG-OD2 3.31Å; T217-D219 PolarHBondContact O-N 2.89Å; D219-P222 HydrophobicContact CB-CG 3.84Å; D219-L223 VanDerWaalsContact O-CB 3.28Å; D219-L223 WeakPolarHBondContact O-CB 3.42Å; D219-L223 PolarHBondContact O-N 3.38Å |
| 220 | L | 95.5 | Very high | 93.3 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -71.1 | -31.9 | -173.8 | -63.9 | 178.2 | 0 | 0 | 0 | 113.2 | Y68 L71 R72 I75 H78 D79 F214 L223 C224 | Y68-L220 HydrophobicContact CD2-CB 4.09Å; Y68-L220 HydrophobicContact CE2-CB 3.95Å; L71-L220 HydrophobicContact CB-CD1 4.16Å; R72-L220 HydrophobicContact CG-CD1 4.23Å; I75-L220 HydrophobicContact CD1-CD2 3.55Å; I75-L220 HydrophobicContact CG1-CD1 4.17Å; I75-L220 HydrophobicContact CG1-CD2 4.06Å; H78-L220 HydrophobicContact CB-CD1 4.42Å; H78-L220 HydrophobicContact CB-CD2 3.8Å; H78-L220 HydrophobicContact CB-CG 4.02Å; D79-L220 HydrophobicContact CB-CD1 4.13Å; F214-L220 HydrophobicContact CE2-CD2 4.43Å; L220-L223 HydrophobicContact CD2-CD2 4.03Å; L220-L223 WeakPolarHBondContact O-CB 3.31Å; L220-C224 WeakPolarHBondContact O-CB 3.43Å; L220-C224 PolarHBondContact O-N 3.49Å; L220-C224 PolarHBondContact O-SG 3.11Å; L220-C224 VanDerWaalsContact O-SG 3.37Å |
| 221 | L | 95.3 | Very high | 92.6 | Very high | 30 Ų | 30 | 20.7 Ų | 20.7 | 16% | 0.157 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -65.4 | -59.6 | -179.4 | 179.3 | 61.5 | 0 | 0 | 0 | 111.6 | V3 I4 Y68 L223 C224 E225 | V3-L221 HydrophobicContact CB-CD1 4.01Å; V3-L221 HydrophobicContact CG1-CD1 4.04Å; I4-L221 HydrophobicContact CD1-CD1 4.37Å; I4-L221 HydrophobicContact CD1-CD2 4.24Å; I4-L221 HydrophobicContact CG1-CD1 3.91Å; Y68-L221 HydrophobicContact CD2-CB 4.48Å; Y68-L221 HydrophobicContact CE1-CD1 4.29Å; Y68-L221 HydrophobicContact CE2-CB 3.76Å; Y68-L221 HydrophobicContact CE2-CD1 4.29Å; L221-L223 PolarHBondContact O-N 3.5Å; L221-C224 PolarHBondContact O-N 3.36Å; L221-C224 VanDerWaalsContact O-N 3.07Å; L221-E225 WeakPolarHBondContact O-CG 3.4Å; L221-E225 PolarHBondContact O-N 3.14Å |
| 222 | P | 94.4 | Very high | 91.5 | Very high | 18 Ų | 18 | 20 Ų | 20 | 12% | 0.117 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -62.4 | -29.4 | 176.3 | 23.1 | -33.6 | 0 | 0 | 0 | 113 | T217 D219 E225 R226 V255 | T217-P222 HydrophobicContact CG2-CB 3.99Å; T217-P222 HydrophobicContact CG2-CG 4.42Å; D219-P222 HydrophobicContact CB-CG 3.84Å; P222-E225 PolarHBondContact O-N 2.87Å; P222-R226 WeakPolarHBondContact O-CB 3.26Å; P222-R226 VanDerWaalsContact O-CG 3.31Å; P222-R226 WeakPolarHBondContact O-CG 3.48Å; P222-R226 PolarHBondContact O-N 2.78Å; P222-V255 HydrophobicContact CB-CG1 4.36Å; P222-V255 HydrophobicContact CG-CG1 4.44Å |
| 223 | L | 95.1 | Very high | 90.1 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -57.9 | -52.6 | 170.2 | 168.2 | 69.9 | 0 | 0 | 0 | 111.3 | L203 F206 A210 V213 F214 D219 L220 L221 E225 R226 I227 | L203-L223 HydrophobicContact CD2-CD2 3.53Å; F206-L223 HydrophobicContact CE1-CD2 4.49Å; A210-L223 HydrophobicContact CB-CD1 4.17Å; A210-L223 WeakPolarHBondContact O-CD1 3.28Å; V213-L223 HydrophobicContact CB-CD1 3.78Å; V213-L223 HydrophobicContact CG1-CD1 3.64Å; F214-L223 HydrophobicContact CB-CD1 4.26Å; F214-L223 HydrophobicContact CD2-CD2 4.07Å; D219-L223 VanDerWaalsContact O-CB 3.28Å; D219-L223 WeakPolarHBondContact O-CB 3.42Å; D219-L223 PolarHBondContact O-N 3.38Å; L220-L223 HydrophobicContact CD2-CD2 4.03Å; L220-L223 WeakPolarHBondContact O-CB 3.31Å; L221-L223 PolarHBondContact O-N 3.5Å; L223-E225 VanDerWaalsContact C-N 3.34Å; L223-E225 PolarHBondContact O-N 3Å; L223-R226 PolarHBondContact O-N 3.14Å; L223-I227 HydrophobicContact CD1-CG1 3.91Å; L223-I227 HydrophobicContact CG-CG1 4.41Å; L223-I227 WeakPolarHBondContact O-CB 3.44Å; L223-I227 WeakPolarHBondContact O-CG1 3.39Å; L223-I227 PolarHBondContact O-N 3.22Å |
| 224 | C | 95.3 | Very high | 88.3 | Confident | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -64.5 | -38.4 | -179.5 | -76.7 | 0 | 0 | 0 | 0 | 111.9 | V3 A65 L220 L221 R226 I227 A228 | V3-C224 HydrophobicContact CG1-CB 3.63Å; V3-C224 HydrophobicContact CG2-CB 4.14Å; A65-C224 VanDerWaalsContact CB-O 3.32Å; A65-C224 WeakPolarHBondContact CB-O 3.29Å; L220-C224 WeakPolarHBondContact O-CB 3.43Å; L220-C224 PolarHBondContact O-N 3.49Å; L220-C224 PolarHBondContact O-SG 3.11Å; L220-C224 VanDerWaalsContact O-SG 3.37Å; L221-C224 PolarHBondContact O-N 3.36Å; L221-C224 VanDerWaalsContact O-N 3.07Å; C224-R226 VanDerWaalsContact C-N 3.35Å; C224-R226 PolarHBondContact O-N 3.44Å; C224-I227 PolarHBondContact O-N 3.39Å; C224-A228 PolarHBondContact O-N 3.11Å |
| 225 | E | 93.5 | Very high | 86.3 | Confident | 81 Ų | 81 | 29.6 Ų | 29.6 | 38% | 0.379 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -61.2 | -42.7 | 176.4 | -70.9 | 173.3 | 164.7 | 0 | 0 | 112.1 | V3 L221 P222 L223 A228 N229 | V3-E225 HydrophobicContact CB-CG 4.29Å; V3-E225 HydrophobicContact CG2-CB 4.29Å; V3-E225 HydrophobicContact CG2-CG 3.59Å; L221-E225 WeakPolarHBondContact O-CG 3.4Å; L221-E225 PolarHBondContact O-N 3.14Å; P222-E225 PolarHBondContact O-N 2.87Å; L223-E225 VanDerWaalsContact C-N 3.34Å; L223-E225 PolarHBondContact O-N 3Å; E225-A228 WeakPolarHBondContact O-CB 3.45Å; E225-N229 PolarHBondContact O-ND2 2.99Å; E225-N229 VanDerWaalsContact O-ND2 3.13Å |
| 226 | R | 92.7 | Very high | 84.1 | Confident | 26 Ų | 26 | 33 Ų | 33 | 10% | 0.098 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -71 | -44.4 | 176.8 | -70.4 | 178.8 | -179.1 | -150.1 | 6.5 | 111.7 | V213 P222 L223 C224 A228 N229 S248 D250 T252 | V213-R226 HydrophobicContact CG1-CB 3.71Å; V213-R226 HydrophobicContact CG1-CG 4.38Å; P222-R226 WeakPolarHBondContact O-CB 3.26Å; P222-R226 VanDerWaalsContact O-CG 3.31Å; P222-R226 WeakPolarHBondContact O-CG 3.48Å; P222-R226 PolarHBondContact O-N 2.78Å; L223-R226 PolarHBondContact O-N 3.14Å; C224-R226 VanDerWaalsContact C-N 3.35Å; C224-R226 PolarHBondContact O-N 3.44Å; R226-A228 PolarHBondContact O-N 2.91Å; R226-N229 PolarHBondContact O-N 3.3Å; R226-S248 WeakPolarHBondContact CD-O 3.25Å; R226-S248 PolarHBondContact NH1-O 3.14Å; R226-D250 VanDerWaalsContact CZ-O 3.3Å; R226-D250 PolarHBondContact NH1-O 3.29Å; R226-D250 PolarHBondContact NH2-O 3.04Å; R226-T252 PolarHBondContact NH2-OG1 2.83Å |
| 227 | I | 91.7 | Very high | 81.5 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -61.8 | -31 | 179.2 | -69.4 | -75.9 | 0 | 0 | 0 | 112.1 | C61 F206 H207 A209 A210 V213 L223 C224 N229 I230 | C61-I227 WeakPolarHBondContact CB-O 3.34Å; F206-I227 HydrophobicContact CE1-CB 4.23Å; F206-I227 HydrophobicContact CE1-CG1 4.02Å; F206-I227 HydrophobicContact CE1-CG2 3.91Å; F206-I227 HydrophobicContact CZ-CB 4.32Å; F206-I227 HydrophobicContact CZ-CG2 3.75Å; H207-I227 HydrophobicContact CB-CD1 3.98Å; H207-I227 HydrophobicContact CB-CG2 4.21Å; A209-I227 HydrophobicContact CB-CD1 4.38Å; A210-I227 HydrophobicContact CB-CD1 4.15Å; V213-I227 HydrophobicContact CB-CD1 4.5Å; V213-I227 HydrophobicContact CG2-CD1 4.15Å; L223-I227 HydrophobicContact CD1-CG1 3.91Å; L223-I227 HydrophobicContact CG-CG1 4.41Å; L223-I227 WeakPolarHBondContact O-CB 3.44Å; L223-I227 WeakPolarHBondContact O-CG1 3.39Å; L223-I227 PolarHBondContact O-N 3.22Å; C224-I227 PolarHBondContact O-N 3.39Å; I227-N229 PolarHBondContact O-N 3.3Å; I227-I230 HydrophobicContact CD1-CD1 4.14Å; I227-I230 PolarHBondContact O-N 3.38Å |
| 228 | A | 91 | Very high | 78.9 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.1 | -32.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | M1 Y59 P60 C61 A65 C224 E225 R226 | M1-A228 HydrophobicContact CB-CB 4.03Å; M1-A228 HydrophobicContact SD-CB 3.73Å; Y59-A228 WeakPolarHBondContact CB-O 3.43Å; Y59-A228 HydrophobicContact CD1-CB 4.23Å; Y59-A228 HydrophobicContact CG-CB 4.33Å; P60-A228 WeakPolarHBondContact CD-O 3.34Å; P60-A228 WeakPolarHBondContact CG-O 3.31Å; C61-A228 PolarHBondContact N-O 3.01Å; A65-A228 HydrophobicContact CB-CB 3.62Å; C224-A228 PolarHBondContact O-N 3.11Å; E225-A228 WeakPolarHBondContact O-CB 3.45Å; R226-A228 PolarHBondContact O-N 2.91Å |
| 229 | N | 87.8 | Confident | 76.4 | Confident | 79 Ų | 79 | 50.9 Ų | 50.9 | 42% | 0.422 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | -6.1 | -177 | -61 | -65.7 | 0 | 0 | 0 | 114.4 | Y59 E225 R226 I227 P231 | Y59-N229 WeakPolarHBondContact CD1-OD1 3.32Å; E225-N229 PolarHBondContact O-ND2 2.99Å; E225-N229 VanDerWaalsContact O-ND2 3.13Å; R226-N229 PolarHBondContact O-N 3.3Å; I227-N229 PolarHBondContact O-N 3.3Å; N229-P231 WeakPolarHBondContact O-CD 3.37Å |
| 230 | I | 86.6 | Confident | 74 | Confident | 7 Ų | 7 | 54.1 Ų | 54.1 | 4% | 0.036 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -96.6 | 117.9 | -179.9 | -56.9 | -179.5 | 0 | 0 | 0 | 108.5 | C61 A209 V213 I227 F249 | C61-I230 WeakPolarHBondContact CB-O 3.48Å; C61-I230 PolarHBondContact SG-O 3.08Å; A209-I230 HydrophobicContact CB-CD1 4.09Å; A209-I230 HydrophobicContact CB-CG2 4.35Å; V213-I230 HydrophobicContact CG2-CD1 3.67Å; I227-I230 HydrophobicContact CD1-CD1 4.14Å; I227-I230 PolarHBondContact O-N 3.38Å; I230-F249 HydrophobicContact CD1-CE1 4.49Å; I230-F249 HydrophobicContact CD1-CE2 4.1Å; I230-F249 HydrophobicContact CD1-CZ 3.84Å |
| 231 | P | 79.9 | Confident | 71.8 | Confident | 9 Ų | 9 | 61.9 Ų | 61.9 | 6% | 0.058 | 34% | 0.336 | C | S | . | . | P | Polyproline II helix | trans | -60.9 | 139 | 174.5 | -21.7 | 33 | 0 | 0 | 0 | 111.8 | P60 N229 F236 | P60-P231 HydrophobicContact CB-CG 4.38Å; P60-P231 HydrophobicContact CG-CG 4.48Å; N229-P231 WeakPolarHBondContact O-CD 3.37Å; P231-F236 HydrophobicContact CB-CD2 4.26Å |
| 232 | S | 69.7 | Low | 69.6 | Low | 5 Ų | 5 | 63.8 Ų | 63.8 | 4% | 0.035 | 36% | 0.356 | C | S | . | . | P | Polyproline II helix | trans | -60.6 | 147.2 | 168.8 | 179.8 | 0 | 0 | 0 | 0 | 109.7 | C61 R64 N234 T235 F236 | C61-S232 PolarHBondContact SG-N 3.11Å; R64-S232 PolarHBondContact NH1-OG 2.92Å; R64-S232 VanDerWaalsContact NH1-OG 3.09Å; R64-S232 PolarHBondContact NH2-OG 2.86Å; S232-N234 PolarHBondContact O-N 2.89Å; S232-T235 PolarHBondContact O-N 3.39Å; S232-F236 PolarHBondContact O-N 2.89Å |
| 233 | P | 62.4 | Low | 67.2 | Low | 75 Ų | 75 | 69.9 Ų | 69.9 | 49% | 0.487 | 39% | 0.388 | S | S | . | . | G | 310 helix | trans | -53.2 | -30.6 | 178.2 | -23.1 | 28.9 | 0 | 0 | 0 | 113.7 | P208 T235 | P208-P233 HydrophobicContact CB-CG 4.5Å; P208-P233 HydrophobicContact CG-CG 3.79Å; P233-T235 VanDerWaalsContact C-N 3.26Å; P233-T235 PolarHBondContact O-N 2.9Å |
| 234 | N | 55.2 | Low | 65.1 | Low | 150 Ų | 150 | 75 Ų | 75 | 80% | 0.802 | 42% | 0.415 | S | S | * | . | G | 310 helix | trans | -76.9 | -10.1 | 179.7 | -63.3 | -1.2 | 0 | 0 | 0 | 113.6 | S232 | S232-N234 PolarHBondContact O-N 2.89Š|
| 235 | T | 53.8 | Low | 63.6 | Low | 55 Ų | 55 | 76.4 Ų | 76.4 | 34% | 0.337 | 42% | 0.422 | S | S | . | . | G | 310 helix | trans | -109.2 | -5.5 | -178 | -40.6 | 0 | 0 | 0 | 0 | 112 | S232 P233 M237 L238 | S232-T235 PolarHBondContact O-N 3.39Å; P233-T235 VanDerWaalsContact C-N 3.26Å; P233-T235 PolarHBondContact O-N 2.9Å; T235-M237 PolarHBondContact O-N 2.86Å; T235-L238 PolarHBondContact O-N 2.71Å |
| 236 | F | 47.9 | Very low | 62.2 | Low | 120 Ų | 120 | 76 Ų | 76 | 53% | 0.526 | 43% | 0.429 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -16.8 | -170.6 | -140.2 | -92.2 | 0 | 0 | 0 | 114.5 | P231 S232 L245 | P231-F236 HydrophobicContact CB-CD2 4.26Å; S232-F236 PolarHBondContact O-N 2.89Å; F236-L245 HydrophobicContact CE2-CD2 3.85Å; F236-L245 HydrophobicContact CZ-CD2 3.99Å |
| 237 | M | 38.7 | Very low | 61.2 | Low | 182 Ų | 182 | 81.7 Ų | 81.7 | 90% | 0.897 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.9 | -11.1 | -176.4 | -67.5 | -65.1 | -68.4 | 0 | 0 | 115 | T235 | T235-M237 PolarHBondContact O-N 2.86Š|
| 238 | L | 40.7 | Very low | 60.7 | Low | 153 Ų | 153 | 82.2 Ų | 82.2 | 80% | 0.801 | 46% | 0.457 | S | S | * | . | S | Bend | trans | -111 | -14.5 | -166.5 | -81.5 | 161.3 | 0 | 0 | 0 | 116.1 | T235 | T235-L238 PolarHBondContact O-N 2.71Š|
| 239 | T | 43.1 | Very low | 60.5 | Low | 58 Ų | 58 | 85.7 Ų | 85.7 | 36% | 0.356 | 47% | 0.473 | S | S | . | . | trans | -139.6 | 109.2 | -168.3 | 71.5 | 0 | 0 | 0 | 0 | 110 | Y241 | T239-Y241 PolarHBondContact O-N 3.04Š| ||
| 240 | G | 43.9 | Very low | 60.7 | Low | 88 Ų | 88 | 84.5 Ų | 84.5 | 91% | 0.907 | 47% | 0.467 | S | S | * | . | trans | -65.4 | 40.4 | -176.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | A242 | G240-A242 VanDerWaalsContact C-N 3.28Å; G240-A242 PolarHBondContact O-N 2.84Å | ||
| 241 | Y | 49.3 | Very low | 61.1 | Low | 164 Ų | 164 | 84.5 Ų | 84.5 | 64% | 0.643 | 47% | 0.467 | S | S | * | . | trans | -85.1 | 27.1 | -174.7 | -85.7 | -82.9 | 0 | 0 | 0 | 114.6 | T239 N243 L245 | T239-Y241 PolarHBondContact O-N 3.04Å; Y241-N243 PolarHBondContact O-N 3.32Å; Y241-N243 VanDerWaalsContact O-N 3.09Å; Y241-L245 WeakPolarHBondContact O-CD1 3.38Å | ||
| 242 | A | 48.1 | Very low | 61.7 | Low | 70 Ų | 70 | 86.3 Ų | 86.3 | 58% | 0.579 | 48% | 0.478 | S | S | * | . | G | 310 helix | trans | -58.1 | -28.1 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | G240 N244 | G240-A242 VanDerWaalsContact C-N 3.28Å; G240-A242 PolarHBondContact O-N 2.84Å; A242-N244 PolarHBondContact O-N 3.2Å |
| 243 | N | 44 | Very low | 62.9 | Low | 146 Ų | 146 | 87.8 Ų | 87.8 | 78% | 0.781 | 49% | 0.485 | S | S | * | . | G | 310 helix | trans | -78.9 | -13.7 | -167.4 | -66.2 | -7.4 | 0 | 0 | 0 | 115.3 | Y241 | Y241-N243 PolarHBondContact O-N 3.32Å; Y241-N243 VanDerWaalsContact O-N 3.09Å |
| 244 | N | 52.6 | Low | 64.5 | Low | 106 Ų | 106 | 87.4 Ų | 87.4 | 57% | 0.567 | 48% | 0.476 | S | S | * | . | G | 310 helix | trans | -106.8 | -2.9 | 179.4 | -80.6 | -19.6 | 0 | 0 | 0 | 114.3 | A242 S246 | A242-N244 PolarHBondContact O-N 3.2Å; N244-S246 VanDerWaalsContact C-N 3.33Å; N244-S246 PolarHBondContact O-N 3.07Å |
| 245 | L | 63.1 | Low | 66.4 | Low | 30 Ų | 30 | 81.5 Ų | 81.5 | 16% | 0.157 | 45% | 0.445 | C | S | . | . | S | Bend | trans | -68.5 | -31.5 | -177.7 | -90.4 | 75.4 | 0 | 0 | 0 | 112.6 | F236 Y241 K247 S248 F249 | F236-L245 HydrophobicContact CE2-CD2 3.85Å; F236-L245 HydrophobicContact CZ-CD2 3.99Å; Y241-L245 WeakPolarHBondContact O-CD1 3.38Å; L245-K247 PolarHBondContact O-N 2.97Å; L245-S248 WeakPolarHBondContact O-CB 3.43Å; L245-S248 PolarHBondContact O-N 3.46Å; L245-F249 VanDerWaalsContact O-CD2 3.29Å; L245-F249 WeakPolarHBondContact O-CD2 3.44Å |
| 246 | S | 63.6 | Low | 68.4 | Low | 73 Ų | 73 | 79.4 Ų | 79.4 | 51% | 0.51 | 43% | 0.433 | S | S | . | . | G | 310 helix | trans | -57.5 | -47.5 | -176.8 | 53.3 | 0 | 0 | 0 | 0 | 112.5 | N244 S248 F249 | N244-S246 VanDerWaalsContact C-N 3.33Å; N244-S246 PolarHBondContact O-N 3.07Å; S246-S248 PolarHBondContact O-N 3.44Å; S246-F249 PolarHBondContact O-N 3.21Å |
| 247 | K | 72.6 | Confident | 70.7 | Confident | 146 Ų | 146 | 73.7 Ų | 73.7 | 64% | 0.635 | 41% | 0.407 | S | S | * | . | G | 310 helix | trans | -57.9 | -25.2 | -178.7 | -67.7 | -174.2 | 178.8 | -179.5 | 0 | 114 | L245 F249 D250 | L245-K247 PolarHBondContact O-N 2.97Å; K247-F249 PolarHBondContact O-N 3.3Å; K247-D250 WeakPolarHBondContact CA-OD2 3.43Å; K247-D250 PolarHBondContact O-N 3.06Å |
| 248 | S | 80.6 | Confident | 73.4 | Confident | 10 Ų | 10 | 67.6 Ų | 67.6 | 7% | 0.07 | 37% | 0.374 | C | S | . | . | G | 310 helix | trans | -71 | -19 | -179.5 | -58.7 | 0 | 0 | 0 | 0 | 112.9 | R226 L245 S246 | R226-S248 WeakPolarHBondContact CD-O 3.25Å; R226-S248 PolarHBondContact NH1-O 3.14Å; L245-S248 WeakPolarHBondContact O-CB 3.43Å; L245-S248 PolarHBondContact O-N 3.46Å; S246-S248 PolarHBondContact O-N 3.44Å |
| 249 | F | 87.5 | Confident | 76.1 | Confident | 74 Ų | 74 | 60.3 Ų | 60.3 | 33% | 0.325 | 34% | 0.336 | S | S | . | . | G | 310 helix | trans | -104.2 | 0.8 | 179.4 | -59.3 | -84.4 | 0 | 0 | 0 | 113.1 | A209 V213 V216 I230 L245 S246 K247 | A209-F249 HydrophobicContact CB-CE1 3.92Å; A209-F249 HydrophobicContact CB-CZ 3.81Å; V213-F249 HydrophobicContact CG2-CD1 3.99Å; V213-F249 HydrophobicContact CG2-CE1 3.75Å; V213-F249 HydrophobicContact CG2-CZ 4.36Å; V216-F249 WeakPolarHBondContact CG1-O 3.43Å; I230-F249 HydrophobicContact CD1-CE1 4.49Å; I230-F249 HydrophobicContact CD1-CE2 4.1Å; I230-F249 HydrophobicContact CD1-CZ 3.84Å; L245-F249 VanDerWaalsContact O-CD2 3.29Å; L245-F249 WeakPolarHBondContact O-CD2 3.44Å; S246-F249 PolarHBondContact O-N 3.21Å; K247-F249 PolarHBondContact O-N 3.3Å |
| 250 | D | 91.4 | Very high | 78.6 | Confident | 54 Ų | 54 | 57.8 Ų | 57.8 | 29% | 0.289 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -85 | 149.2 | -175.5 | -72.3 | -22.3 | 0 | 0 | 0 | 112.1 | R226 K247 L406 | R226-D250 VanDerWaalsContact CZ-O 3.3Å; R226-D250 PolarHBondContact NH1-O 3.29Å; R226-D250 PolarHBondContact NH2-O 3.04Å; K247-D250 WeakPolarHBondContact CA-OD2 3.43Å; K247-D250 PolarHBondContact O-N 3.06Å; D250-L406 HydrophobicContact CB-CD2 3.68Å |
| 251 | V | 94.1 | Very high | 81.1 | Confident | 6 Ų | 6 | 54.1 Ų | 54.1 | 4% | 0.036 | 28% | 0.28 | C | S | . | . | trans | -68.2 | 135.4 | 166 | 174.9 | 0 | 0 | 0 | 0 | 108.1 | V216 F257 I353 L406 T408 P497 | V216-V251 HydrophobicContact CG1-CG2 4.11Å; V251-F257 HydrophobicContact CG1-CD1 3.57Å; V251-F257 HydrophobicContact CG1-CE1 3.89Å; V251-F257 HydrophobicContact CG1-CG 4.12Å; V251-F257 HydrophobicContact CG2-CB 4.19Å; V251-F257 HydrophobicContact CG2-CD1 4.27Å; V251-F257 HydrophobicContact CG2-CD2 4.22Å; V251-F257 HydrophobicContact CG2-CG 3.96Å; V251-I353 HydrophobicContact CG1-CD1 3.74Å; V251-L406 HydrophobicContact CB-CD1 3.99Å; V251-L406 WeakPolarHBondContact O-CD1 3.26Å; V251-T408 HydrophobicContact CG2-CG2 4.23Å; V251-P497 HydrophobicContact CG2-CG 4.03Å | ||
| 252 | T | 94 | Very high | 83.4 | Confident | 48 Ų | 48 | 47.5 Ų | 47.5 | 29% | 0.294 | 26% | 0.258 | S | S | . | . | trans | -127 | 152.3 | -179.5 | 55 | 0 | 0 | 0 | 0 | 111.2 | R226 V255 | R226-T252 PolarHBondContact NH2-OG1 2.83Å; T252-V255 PolarHBondContact O-N 3.4Å; T252-V255 WeakPolarHBondContact OG1-CB 3.25Å; T252-V255 WeakPolarHBondContact OG1-CG2 3.42Å | ||
| 253 | L | 95 | Very high | 85.6 | Confident | 35 Ų | 35 | 45.8 Ų | 45.8 | 18% | 0.183 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | 143.4 | 177.1 | -162.1 | 64.1 | 0 | 0 | 0 | 110.9 | V255 H306 D351 I353 Y401 | L253-V255 PolarHBondContact O-N 2.77Å; L253-V255 VanDerWaalsContact O-N 3.08Å; L253-H306 HydrophobicContact CD1-CB 4.15Å; L253-D351 HydrophobicContact CD2-CB 3.95Å; L253-I353 HydrophobicContact CD1-CD1 4.31Å; L253-I353 HydrophobicContact CD1-CG1 3.78Å; L253-Y401 HydrophobicContact CD1-CD1 4.33Å; L253-Y401 HydrophobicContact CD1-CE1 4.44Å; L253-Y401 HydrophobicContact CD2-CE1 4.42Å |
| 254 | F | 95.9 | Very high | 87.9 | Confident | 68 Ų | 68 | 43.5 Ų | 43.5 | 30% | 0.298 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.6 | 22.4 | -174.3 | -56.2 | -43.1 | 0 | 0 | 0 | 118.3 | H306 R313 W315 | F254-H306 HydrophobicContact CD1-CB 3.64Å; F254-H306 HydrophobicContact CE1-CB 3.92Å; F254-H306 PolarHBondContact N-ND1 3.25Å; F254-H306 VanDerWaalsContact N-ND1 3.12Å; F254-R313 HydrophobicContact CD1-CB 3.75Å; F254-R313 HydrophobicContact CD1-CG 3.37Å; F254-R313 HydrophobicContact CE1-CB 4.03Å; F254-R313 HydrophobicContact CE1-CG 3.58Å; F254-R313 HydrophobicContact CG-CG 4.16Å; F254-R313 HydrophobicContact CZ-CG 4.48Å; F254-W315 HydrophobicContact CB-CH2 4.24Å; F254-W315 HydrophobicContact CD1-CH2 4.36Å; F254-W315 WeakPolarHBondContact O-CH2 3.32Å |
| 255 | V | 95.1 | Very high | 89.7 | Confident | 26 Ų | 26 | 38.5 Ų | 38.5 | 16% | 0.158 | 19% | 0.191 | C | C | . | . | trans | -119.7 | 123.6 | 170.3 | 178.1 | 0 | 0 | 0 | 0 | 108.6 | T217 P222 T252 L253 H306 | T217-V255 HydrophobicContact CG2-CG1 4.15Å; P222-V255 HydrophobicContact CB-CG1 4.36Å; P222-V255 HydrophobicContact CG-CG1 4.44Å; T252-V255 PolarHBondContact O-N 3.4Å; T252-V255 WeakPolarHBondContact OG1-CB 3.25Å; T252-V255 WeakPolarHBondContact OG1-CG2 3.42Å; L253-V255 PolarHBondContact O-N 2.77Å; L253-V255 VanDerWaalsContact O-N 3.08Å; V255-H306 PolarHBondContact O-CE1 3.27Å; V255-H306 VanDerWaalsContact O-CE1 3.29Å | ||
| 256 | P | 95.5 | Very high | 90.8 | Very high | 11 Ų | 11 | 40.4 Ų | 40.4 | 7% | 0.071 | 20% | 0.202 | C | C | . | . | trans | -67.4 | 147.7 | -179.8 | 24 | -29.2 | 0 | 0 | 0 | 111.6 | V216 T217 Q218 W315 | V216-P256 CarbonylContact C-O 3.58Å; T217-P256 CarbonylContact C-O 3.46Å; T217-P256 WeakPolarHBondContact CA-O 3.45Å; T217-P256 PolarHBondContact N-O 3.23Å; T217-P256 WeakPolarHBondContact O-CG 3.29Å; Q218-P256 HydrophobicContact CB-CB 4.2Å; Q218-P256 HydrophobicContact CB-CG 4.17Å; P256-W315 HydrophobicContact CB-CB 4.11Å; P256-W315 HydrophobicContact CB-CD2 3.87Å; P256-W315 HydrophobicContact CB-CG 3.59Å; P256-W315 HydrophobicContact CG-CD2 4.41Å; P256-W315 HydrophobicContact CG-CG 4.29Å | ||
| 257 | F | 96.1 | Very high | 91.8 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 19% | 0.191 | C | C | . | . | trans | -129.6 | 162.2 | 173.9 | 61.2 | -80.9 | 0 | 0 | 0 | 109.6 | E215 Q218 V251 P259 Q304 H306 I353 L400 Y495 P497 | E215-F257 CarbonylContact O-C 3.6Å; E215-F257 WeakPolarHBondContact O-CA 3.14Å; Q218-F257 VanDerWaalsContact CG-C 3.49Å; V251-F257 HydrophobicContact CG1-CD1 3.57Å; V251-F257 HydrophobicContact CG1-CE1 3.89Å; V251-F257 HydrophobicContact CG1-CG 4.12Å; V251-F257 HydrophobicContact CG2-CB 4.19Å; V251-F257 HydrophobicContact CG2-CD1 4.27Å; V251-F257 HydrophobicContact CG2-CD2 4.22Å; V251-F257 HydrophobicContact CG2-CG 3.96Å; F257-P259 WeakPolarHBondContact O-CD 3.36Å; F257-Q304 VanDerWaalsContact CD2-NE2 3.33Å; F257-Q304 HydrophobicContact CE1-CB 4.47Å; F257-Q304 VanDerWaalsContact CE1-CD 3.42Å; F257-Q304 HydrophobicContact CE1-CG 4Å; F257-Q304 HydrophobicContact CE2-CG 4.47Å; F257-Q304 HydrophobicContact CZ-CG 3.77Å; F257-Q304 PolarHBondContact O-NE2 2.99Å; F257-Q304 PolarHBondContact O-OE1 2.77Å; F257-H306 AromaticContact CE1-NE2 3.7Å; F257-I353 HydrophobicContact CE1-CG2 3.81Å; F257-I353 HydrophobicContact CZ-CG2 4.23Å; F257-L400 HydrophobicContact CD2-CD1 4.39Å; F257-L400 HydrophobicContact CE1-CD1 4.04Å; F257-L400 HydrophobicContact CE2-CD1 3.35Å; F257-L400 HydrophobicContact CZ-CD1 3.15Å; F257-L400 HydrophobicContact CZ-CG 4.46Å; F257-Y495 HydrophobicContact CD2-CE1 4.3Å; F257-Y495 AromaticContact CE2-CE1 3.75Å; F257-Y495 HydrophobicContact CE2-CE1 3.75Å; F257-Y495 AromaticContact CE2-CZ 3.97Å; F257-P497 HydrophobicContact CD2-CB 4.35Å; F257-P497 HydrophobicContact CD2-CG 4.41Å | ||
| 258 | R | 95.8 | Very high | 92.5 | Very high | 53 Ų | 53 | 32 Ų | 32 | 20% | 0.2 | 16% | 0.162 | C | C | . | . | P | Polyproline II helix | trans | -74.6 | 120.1 | 173.2 | -171 | 69.2 | 170.9 | 157.4 | -10.9 | 108.4 | E215 Q218 R317 N318 P497 G498 | E215-R258 HydrophobicContact CB-CB 4.48Å; E215-R258 WeakPolarHBondContact O-CB 3.2Å; E215-R258 PolarHBondContact O-N 3.41Å; E215-R258 WeakPolarHBondContact OE2-CB 3.28Å; E215-R258 VanDerWaalsContact OE2-CG 3.27Å; E215-R258 WeakPolarHBondContact OE2-CG 3.42Å; Q218-R258 HydrophobicContact CG-CB 4.48Å; R258-R317 PolarHBondContact NH1-O 2.66Å; R258-N318 PolarHBondContact NH1-OD1 3.42Å; R258-P497 CarbonylContact O-C 3.55Å; R258-P497 WeakPolarHBondContact O-CA 3.47Å; R258-P497 VanDerWaalsContact O-CB 3.3Å; R258-P497 WeakPolarHBondContact O-CB 3.3Å; R258-G498 PolarHBondContact O-N 2.91Å |
| 259 | P | 96.8 | Very high | 92.8 | Very high | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.006 | 18% | 0.177 | C | C | . | . | P | Polyproline II helix | trans | -60 | 151.7 | 177.5 | -14.8 | 23.2 | 0 | 0 | 0 | 111.6 | F257 L261 R302 R317 Y495 G498 | F257-P259 WeakPolarHBondContact O-CD 3.36Å; P259-L261 WeakPolarHBondContact O-CD2 3.5Å; P259-L261 WeakPolarHBondContact O-CG 3.2Å; P259-R302 HydrophobicContact CG-CG 4.2Å; P259-R317 WeakPolarHBondContact CD-O 3.39Å; P259-R317 HydrophobicContact CG-CG 4.43Å; P259-Y495 VanDerWaalsContact CA-OH 3.32Å; P259-Y495 WeakPolarHBondContact CA-OH 3.43Å; P259-G498 PolarHBondContact O-N 3.11Å |
| 260 | M | 96.5 | Very high | 92.8 | Very high | 4 Ų | 4 | 35 Ų | 35 | 2% | 0.02 | 18% | 0.179 | C | C | . | . | P | Polyproline II helix | trans | -61.8 | 139.9 | 166.4 | -172.1 | 172.6 | -178.7 | 0 | 0 | 109.9 | Y495 L496 G503 W505 | M260-Y495 HydrophobicContact CB-CD1 4.25Å; M260-Y495 HydrophobicContact CB-CD2 4.2Å; M260-Y495 HydrophobicContact CB-CE1 3.77Å; M260-Y495 HydrophobicContact CB-CE2 3.78Å; M260-Y495 HydrophobicContact CB-CG 4.45Å; M260-Y495 PolarHBondContact N-OH 3.45Å; M260-Y495 HydrophobicContact SD-CD2 4.23Å; M260-Y495 HydrophobicContact SD-CG 4.36Å; M260-L496 WeakPolarHBondContact CB-O 3.46Å; M260-L496 HydrophobicContact CE-CB 4.49Å; M260-L496 WeakPolarHBondContact CG-O 3.28Å; M260-L496 PolarHBondContact SD-N 2.9Å; M260-G503 WeakPolarHBondContact CE-O 3.22Å; M260-W505 HydrophobicContact CB-CE3 4.39Å; M260-W505 HydrophobicContact CB-CH2 4.44Å; M260-W505 HydrophobicContact CB-CZ3 4.21Å; M260-W505 HydrophobicContact CE-CB 4.41Å; M260-W505 VanDerWaalsContact CE-CD1 3.5Å; M260-W505 HydrophobicContact CE-CD2 4.04Å; M260-W505 HydrophobicContact CE-CG 3.75Å; M260-W505 HydrophobicContact CG-CD2 4.12Å; M260-W505 HydrophobicContact CG-CE3 4.13Å; M260-W505 HydrophobicContact CG-CZ3 4.42Å; M260-W505 HydrophobicContact SD-CD2 3.83Å; M260-W505 VanDerWaalsContact SD-CE2 3.56Å; M260-W505 HydrophobicContact SD-CE3 4.34Å; M260-W505 HydrophobicContact SD-CG 4.21Å; M260-W505 HydrophobicContact SD-CH2 4.4Å; M260-W505 HydrophobicContact SD-CZ2 3.89Å |
| 261 | L | 95.9 | Very high | 92.8 | Very high | 12 Ų | 12 | 32.4 Ų | 32.4 | 6% | 0.063 | 17% | 0.165 | C | C | . | . | trans | -118.2 | 148.5 | -172 | -53.6 | -175.8 | 0 | 0 | 0 | 111.1 | P259 I499 R500 | P259-L261 WeakPolarHBondContact O-CD2 3.5Å; P259-L261 WeakPolarHBondContact O-CG 3.2Å; L261-I499 WeakPolarHBondContact CB-O 3.19Å; L261-I499 PolarHBondContact N-O 3.1Å; L261-R500 HydrophobicContact CB-CB 4Å; L261-R500 HydrophobicContact CB-CG 4.38Å | ||
| 262 | C | 96.2 | Very high | 92.7 | Very high | 25 Ų | 25 | 32.6 Ų | 32.6 | 17% | 0.169 | 17% | 0.167 | C | C | . | . | P | Polyproline II helix | trans | -82.9 | 138.5 | 174.6 | -51.4 | 0 | 0 | 0 | 0 | 112.6 | W505 K507 | C262-W505 CarbonylContact C-O 3.56Å; C262-W505 VanDerWaalsContact CA-O 3.27Å; C262-W505 WeakPolarHBondContact CA-O 3.45Å; C262-K507 HydrophobicContact CB-CB 3.89Å; C262-K507 HydrophobicContact CB-CD 4.15Å; C262-K507 HydrophobicContact CB-CG 3.75Å |
| 263 | E | 94.8 | Very high | 92.6 | Very high | 33 Ų | 33 | 35.1 Ų | 35.1 | 15% | 0.154 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 147 | 161.3 | -166 | 176.2 | 136 | 0 | 0 | 110.3 | R500 W505 W506 K507 | E263-R500 WeakPolarHBondContact CB-O 3.19Å; E263-R500 PolarHBondContact N-O 2.75Å; E263-W505 PolarHBondContact N-O 3.44Å; E263-W506 CarbonylContact O-C 3.58Å; E263-W506 WeakPolarHBondContact O-CA 3.44Å; E263-K507 WeakPolarHBondContact O-CG 3.34Å; E263-K507 PolarHBondContact O-N 3.18Å |
| 264 | R | 93.2 | Very high | 92.5 | Very high | 98 Ų | 98 | 35 Ų | 35 | 37% | 0.37 | 18% | 0.181 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 124.9 | 176 | 169.8 | 177.7 | 167.9 | -176.3 | -2.1 | 109.1 | N266 Y512 | R264-N266 VanDerWaalsContact CZ-OD1 3.25Å; R264-N266 PolarHBondContact NE-OD1 2.87Å; R264-N266 PolarHBondContact NH2-OD1 3.16Å; R264-Y512 HydrophobicContact CG-CD2 3.71Å; R264-Y512 HydrophobicContact CG-CE2 3.81Å; R264-Y512 HydrophobicContact CG-CG 4.12Å |
| 265 | A | 90.8 | Very high | 92.4 | Very high | 1 Ų | 1 | 31.8 Ų | 31.8 | 1% | 0.008 | 17% | 0.166 | C | C | . | . | P | Polyproline II helix | trans | -100.5 | 135 | 167.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | L271 W506 K507 I508 | A265-L271 HydrophobicContact CB-CB 3.88Å; A265-L271 HydrophobicContact CB-CD1 3.9Å; A265-L271 HydrophobicContact CB-CG 4.24Å; A265-W506 HydrophobicContact CB-CB 4.48Å; A265-K507 PolarHBondContact N-O 2.64Å; A265-I508 HydrophobicContact CB-CB 4.45Å |
| 266 | N | 85.4 | Confident | 92.2 | Very high | 70 Ų | 70 | 33.1 Ų | 33.1 | 37% | 0.374 | 17% | 0.172 | S | C | . | . | S | Bend | trans | -97.8 | -13.8 | 178.3 | -64.9 | -35.5 | 0 | 0 | 0 | 113.2 | R264 M270 | R264-N266 VanDerWaalsContact CZ-OD1 3.25Å; R264-N266 PolarHBondContact NE-OD1 2.87Å; R264-N266 PolarHBondContact NH2-OD1 3.16Å; N266-M270 HydrophobicContact CB-SD 4.41Å |
| 267 | S | 84.8 | Confident | 92 | Very high | 40 Ų | 40 | 39.1 Ų | 39.1 | 28% | 0.28 | 20% | 0.199 | S | C | . | . | S | Bend | trans | -153 | 161.9 | 174.7 | 67.8 | 0 | 0 | 0 | 0 | 110.1 | D269 M270 L271 | S267-D269 VanDerWaalsContact C-N 3.33Å; S267-M270 WeakPolarHBondContact OG-CB 3.38Å; S267-M270 PolarHBondContact OG-N 3.41Å; S267-L271 PolarHBondContact O-N 2.83Å |
| 268 | G | 86.5 | Confident | 91.8 | Very high | 3 Ų | 3 | 39.7 Ų | 39.7 | 3% | 0.031 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61 | -40.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | M270 L271 V272 | G268-M270 PolarHBondContact O-N 2.94Å; G268-L271 WeakPolarHBondContact O-CB 3.34Å; G268-L271 PolarHBondContact O-N 2.98Å; G268-V272 WeakPolarHBondContact O-CG2 3.43Å; G268-V272 PolarHBondContact O-N 3.35Å |
| 269 | D | 86.8 | Confident | 91.5 | Very high | 73 Ų | 73 | 38 Ų | 38 | 39% | 0.39 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -61.1 | -46.6 | 178.5 | -67.2 | -43.4 | 0 | 0 | 0 | 112.9 | S267 L271 V272 N273 Q466 | S267-D269 VanDerWaalsContact C-N 3.33Å; D269-L271 VanDerWaalsContact C-N 3.26Å; D269-L271 PolarHBondContact O-N 3.28Å; D269-V272 PolarHBondContact O-N 3.38Å; D269-N273 VanDerWaalsContact O-CB 3.3Å; D269-N273 WeakPolarHBondContact O-CB 3.42Å; D269-N273 PolarHBondContact O-N 3.11Å; D269-N273 PolarHBondContact O-ND2 2.87Å; D269-N273 VanDerWaalsContact O-ND2 3.13Å; D269-Q466 PolarHBondContact OD1-NE2 2.81Å; D269-Q466 VanDerWaalsContact OD1-NE2 3.12Å; D269-Q466 PolarHBondContact OD1-OE1 3.45Å; D269-Q466 PolarHBondContact OD2-NE2 3.05Å |
| 270 | M | 87.6 | Confident | 91.2 | Very high | 73 Ų | 73 | 38.3 Ų | 38.3 | 36% | 0.36 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -60.5 | -41.7 | 179.1 | -178.7 | -173.8 | 170.3 | 0 | 0 | 110.4 | N266 S267 G268 S274 | N266-M270 HydrophobicContact CB-SD 4.41Å; S267-M270 WeakPolarHBondContact OG-CB 3.38Å; S267-M270 PolarHBondContact OG-N 3.41Å; G268-M270 PolarHBondContact O-N 2.94Å; M270-S274 WeakPolarHBondContact O-CB 3.3Å; M270-S274 PolarHBondContact O-N 3.25Å; M270-S274 PolarHBondContact O-OG 3.37Å; M270-S274 VanDerWaalsContact O-OG 3.09Å |
| 271 | L | 91.6 | Very high | 90.7 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.5 | -51.8 | 178 | -171.1 | 157.8 | 0 | 0 | 0 | 111.2 | A265 S267 G268 D269 S274 A275 L292 V469 V486 W506 | A265-L271 HydrophobicContact CB-CB 3.88Å; A265-L271 HydrophobicContact CB-CD1 3.9Å; A265-L271 HydrophobicContact CB-CG 4.24Å; S267-L271 PolarHBondContact O-N 2.83Å; G268-L271 WeakPolarHBondContact O-CB 3.34Å; G268-L271 PolarHBondContact O-N 2.98Å; D269-L271 VanDerWaalsContact C-N 3.26Å; D269-L271 PolarHBondContact O-N 3.28Å; L271-S274 PolarHBondContact O-N 3.15Å; L271-A275 WeakPolarHBondContact O-CB 3.36Å; L271-A275 PolarHBondContact O-N 3.1Å; L271-L292 HydrophobicContact CD2-CD1 4.27Å; L271-V469 HydrophobicContact CD1-CG1 4.37Å; L271-V469 HydrophobicContact CD2-CG2 4.23Å; L271-V486 HydrophobicContact CD1-CB 3.9Å; L271-V486 HydrophobicContact CD1-CG2 3.71Å; L271-V486 HydrophobicContact CD2-CB 4.01Å; L271-V486 HydrophobicContact CD2-CG1 3.8Å; L271-V486 HydrophobicContact CD2-CG2 4.34Å; L271-W506 HydrophobicContact CD1-CB 3.69Å; L271-W506 HydrophobicContact CD1-CG 4.28Å; L271-W506 HydrophobicContact CD2-CE3 4.36Å; L271-W506 HydrophobicContact CG-CB 3.86Å; L271-W506 HydrophobicContact CG-CD2 4.18Å; L271-W506 HydrophobicContact CG-CE3 4.48Å; L271-W506 HydrophobicContact CG-CG 3.89Å |
| 272 | V | 92.9 | Very high | 90.2 | Very high | 11 Ų | 11 | 49 Ų | 49 | 7% | 0.067 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62.1 | -45.4 | -178.9 | 169.9 | 0 | 0 | 0 | 0 | 111 | G268 D269 S274 A275 L276 A464 V469 | G268-V272 WeakPolarHBondContact O-CG2 3.43Å; G268-V272 PolarHBondContact O-N 3.35Å; D269-V272 PolarHBondContact O-N 3.38Å; V272-S274 PolarHBondContact O-N 2.8Å; V272-A275 PolarHBondContact O-N 2.8Å; V272-A275 VanDerWaalsContact O-N 3.17Å; V272-L276 HydrophobicContact CG1-CD1 3.87Å; V272-L276 HydrophobicContact CG1-CG 4.37Å; V272-L276 WeakPolarHBondContact O-CG 3.33Å; V272-L276 PolarHBondContact O-N 2.7Å; V272-A464 HydrophobicContact CG1-CB 4.45Å; V272-A464 WeakPolarHBondContact CG1-O 3.45Å; V272-V469 HydrophobicContact CG2-CG2 4Å |
| 273 | N | 92.2 | Very high | 89.7 | Confident | 100 Ų | 100 | 50 Ų | 50 | 54% | 0.535 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -62.5 | -42.3 | 177.8 | -71.7 | -29.5 | 0 | 0 | 0 | 112.2 | D269 A275 L276 H277 | D269-N273 VanDerWaalsContact O-CB 3.3Å; D269-N273 WeakPolarHBondContact O-CB 3.42Å; D269-N273 PolarHBondContact O-N 3.11Å; D269-N273 PolarHBondContact O-ND2 2.87Å; D269-N273 VanDerWaalsContact O-ND2 3.13Å; N273-A275 VanDerWaalsContact C-N 3.32Å; N273-A275 PolarHBondContact O-N 3.05Å; N273-L276 PolarHBondContact O-N 3.23Å; N273-H277 WeakPolarHBondContact O-CB 3.41Å; N273-H277 PolarHBondContact O-N 3.15Å |
| 274 | S | 92.1 | Very high | 89.1 | Confident | 34 Ų | 34 | 58.1 Ų | 58.1 | 24% | 0.238 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -63 | -38.8 | 174.3 | -70.6 | 0 | 0 | 0 | 0 | 112 | M270 L271 V272 L278 | M270-S274 WeakPolarHBondContact O-CB 3.3Å; M270-S274 PolarHBondContact O-N 3.25Å; M270-S274 PolarHBondContact O-OG 3.37Å; M270-S274 VanDerWaalsContact O-OG 3.09Å; L271-S274 PolarHBondContact O-N 3.15Å; V272-S274 PolarHBondContact O-N 2.8Å; S274-L278 WeakPolarHBondContact O-CB 3.45Å; S274-L278 PolarHBondContact O-N 3.43Å |
| 275 | A | 93 | Very high | 88.5 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -67.6 | -45.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | L271 V272 N273 H277 L278 Y279 L290 L292 W506 | L271-A275 WeakPolarHBondContact O-CB 3.36Å; L271-A275 PolarHBondContact O-N 3.1Å; V272-A275 PolarHBondContact O-N 2.8Å; V272-A275 VanDerWaalsContact O-N 3.17Å; N273-A275 VanDerWaalsContact C-N 3.32Å; N273-A275 PolarHBondContact O-N 3.05Å; A275-H277 PolarHBondContact O-N 3.49Å; A275-L278 PolarHBondContact O-N 2.89Å; A275-Y279 VanDerWaalsContact O-CB 3.25Å; A275-Y279 WeakPolarHBondContact O-CB 3.37Å; A275-Y279 PolarHBondContact O-N 3.03Å; A275-L290 HydrophobicContact CB-CD2 3.99Å; A275-L292 HydrophobicContact CB-CD2 3.89Å; A275-W506 VanDerWaalsContact CA-CH2 3.47Å; A275-W506 HydrophobicContact CB-CH2 3.53Å; A275-W506 HydrophobicContact CB-CZ2 4.18Å; A275-W506 HydrophobicContact CB-CZ3 3.81Å |
| 276 | L | 92.6 | Very high | 88.1 | Confident | 54 Ų | 54 | 60.2 Ų | 60.2 | 28% | 0.283 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -59.3 | -45.7 | 175.1 | -73.8 | 168.1 | 0 | 0 | 0 | 111.6 | V272 N273 G280 T287 L290 | V272-L276 HydrophobicContact CG1-CD1 3.87Å; V272-L276 HydrophobicContact CG1-CG 4.37Å; V272-L276 WeakPolarHBondContact O-CG 3.33Å; V272-L276 PolarHBondContact O-N 2.7Å; N273-L276 PolarHBondContact O-N 3.23Å; L276-G280 PolarHBondContact O-N 3.2Å; L276-T287 HydrophobicContact CD2-CG2 4.19Å; L276-L290 HydrophobicContact CD2-CD2 3.92Å; L276-L290 HydrophobicContact CG-CD2 4.22Å |
| 277 | H | 90.9 | Very high | 88.1 | Confident | 136 Ų | 136 | 59.5 Ų | 59.5 | 63% | 0.63 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -63.4 | -47.2 | 178.7 | 177.3 | -148.9 | 0 | 0 | 0 | 112 | N273 A275 K281 | N273-H277 WeakPolarHBondContact O-CB 3.41Å; N273-H277 PolarHBondContact O-N 3.15Å; A275-H277 PolarHBondContact O-N 3.49Å; H277-K281 WeakPolarHBondContact O-CB 3.43Å; H277-K281 PolarHBondContact O-N 2.82Å |
| 278 | L | 90.7 | Very high | 87.8 | Confident | 13 Ų | 13 | 67 Ų | 67 | 7% | 0.068 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -64.5 | -46.1 | -179.7 | -176.9 | 62.1 | 0 | 0 | 0 | 111.6 | S274 A275 K281 Q282 I488 D502 W506 | S274-L278 WeakPolarHBondContact O-CB 3.45Å; S274-L278 PolarHBondContact O-N 3.43Å; A275-L278 PolarHBondContact O-N 2.89Å; L278-K281 PolarHBondContact O-N 2.94Å; L278-Q282 WeakPolarHBondContact O-CG 3.45Å; L278-Q282 PolarHBondContact O-N 3.05Å; L278-I488 HydrophobicContact CB-CD1 4.42Å; L278-I488 HydrophobicContact CD2-CD1 3.88Å; L278-I488 HydrophobicContact CG-CD1 4.22Å; L278-D502 HydrophobicContact CD1-CB 4.08Å; L278-W506 HydrophobicContact CD2-CH2 4.41Å |
| 279 | Y | 90.5 | Very high | 87.6 | Confident | 16 Ų | 16 | 68.6 Ų | 68.6 | 6% | 0.063 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -65.9 | -43 | 179.5 | -171.2 | -92.5 | 0 | 0 | 0 | 111.7 | A275 K281 Q282 N283 D286 L290 I488 N490 S491 | A275-Y279 VanDerWaalsContact O-CB 3.25Å; A275-Y279 WeakPolarHBondContact O-CB 3.37Å; A275-Y279 PolarHBondContact O-N 3.03Å; Y279-K281 VanDerWaalsContact C-N 3.34Å; Y279-K281 PolarHBondContact O-N 2.89Å; Y279-Q282 PolarHBondContact O-N 3.34Å; Y279-Q282 VanDerWaalsContact O-N 3.12Å; Y279-N283 HydrophobicContact CD1-CB 4.42Å; Y279-N283 WeakPolarHBondContact CD2-ND2 3.26Å; Y279-N283 HydrophobicContact CE1-CB 4.16Å; Y279-N283 WeakPolarHBondContact CE1-ND2 3.42Å; Y279-N283 VanDerWaalsContact CE2-ND2 3.29Å; Y279-N283 WeakPolarHBondContact CE2-ND2 3.15Å; Y279-N283 WeakPolarHBondContact O-CB 3.4Å; Y279-N283 PolarHBondContact O-N 3.46Å; Y279-N283 PolarHBondContact O-ND2 2.74Å; Y279-D286 WeakPolarHBondContact CD1-O 3.16Å; Y279-D286 WeakPolarHBondContact CE1-O 3.06Å; Y279-L290 HydrophobicContact CD1-CB 3.88Å; Y279-L290 HydrophobicContact CD2-CB 4.38Å; Y279-L290 HydrophobicContact CD2-CD1 3.63Å; Y279-L290 HydrophobicContact CE1-CB 4.15Å; Y279-L290 HydrophobicContact CE2-CD1 4.26Å; Y279-L290 HydrophobicContact CG-CB 3.99Å; Y279-L290 HydrophobicContact CG-CD1 3.76Å; Y279-L290 HydrophobicContact CG-CG 4.28Å; Y279-I488 HydrophobicContact CD2-CG2 4.07Å; Y279-N490 PolarHBondContact OH-ND2 2.87Å; Y279-S491 WeakPolarHBondContact CE2-O 3.42Å |
| 280 | G | 89.3 | Confident | 87.9 | Confident | 9 Ų | 9 | 65.5 Ų | 65.5 | 9% | 0.093 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -61.4 | -40.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | L276 Q282 N283 Q284 G285 | L276-G280 PolarHBondContact O-N 3.2Å; G280-Q282 PolarHBondContact O-N 2.96Å; G280-N283 CarbonylContact O-C 3.43Å; G280-N283 PolarHBondContact O-N 2.84Å; G280-Q284 PolarHBondContact O-N 2.92Å; G280-G285 WeakPolarHBondContact O-CA 3.05Å; G280-G285 PolarHBondContact O-N 3.36Å |
| 281 | K | 87.1 | Confident | 88.1 | Confident | 158 Ų | 158 | 65 Ų | 65 | 69% | 0.687 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -60.7 | -34.7 | 174.6 | -176.7 | 179 | 178.6 | -179.3 | 0 | 112.4 | H277 L278 Y279 | H277-K281 WeakPolarHBondContact O-CB 3.43Å; H277-K281 PolarHBondContact O-N 2.82Å; L278-K281 PolarHBondContact O-N 2.94Å; Y279-K281 VanDerWaalsContact C-N 3.34Å; Y279-K281 PolarHBondContact O-N 2.89Å |
| 282 | Q | 85.2 | Confident | 88.2 | Confident | 82 Ų | 82 | 65 Ų | 65 | 38% | 0.383 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -84.6 | -23.9 | -179 | -69 | 171.1 | -25 | 0 | 0 | 113.3 | L278 Y279 G280 P492 | L278-Q282 WeakPolarHBondContact O-CG 3.45Å; L278-Q282 PolarHBondContact O-N 3.05Å; Y279-Q282 PolarHBondContact O-N 3.34Å; Y279-Q282 VanDerWaalsContact O-N 3.12Å; G280-Q282 PolarHBondContact O-N 2.96Å; Q282-P492 HydrophobicContact CB-CG 3.58Å; Q282-P492 HydrophobicContact CG-CG 4.13Å; Q282-P492 PolarHBondContact OE1-O 3.17Å |
| 283 | N | 85.6 | Confident | 88.3 | Confident | 47 Ų | 47 | 64.4 Ų | 64.4 | 25% | 0.251 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.7 | 36.9 | -175.7 | -64.9 | -76.6 | 0 | 0 | 0 | 113.1 | Y279 G280 G285 D286 P492 | Y279-N283 HydrophobicContact CD1-CB 4.42Å; Y279-N283 WeakPolarHBondContact CD2-ND2 3.26Å; Y279-N283 HydrophobicContact CE1-CB 4.16Å; Y279-N283 WeakPolarHBondContact CE1-ND2 3.42Å; Y279-N283 VanDerWaalsContact CE2-ND2 3.29Å; Y279-N283 WeakPolarHBondContact CE2-ND2 3.15Å; Y279-N283 WeakPolarHBondContact O-CB 3.4Å; Y279-N283 PolarHBondContact O-N 3.46Å; Y279-N283 PolarHBondContact O-ND2 2.74Å; G280-N283 CarbonylContact O-C 3.43Å; G280-N283 PolarHBondContact O-N 2.84Å; N283-G285 PolarHBondContact O-N 2.96Å; N283-G285 VanDerWaalsContact O-N 3.07Å; N283-D286 PolarHBondContact O-N 2.96Å; N283-P492 WeakPolarHBondContact ND2-CD 3.43Å |
| 284 | Q | 83 | Confident | 88.4 | Confident | 203 Ų | 203 | 59.7 Ų | 59.7 | 95% | 0.949 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.2 | 32.4 | 173.9 | -54.6 | 179.1 | 19.3 | 0 | 0 | 114.4 | G280 | G280-Q284 PolarHBondContact O-N 2.92Š|
| 285 | G | 79 | Confident | 88.6 | Confident | 55 Ų | 55 | 58.2 Ų | 58.2 | 57% | 0.567 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 92.4 | -10 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | G280 N283 | G280-G285 WeakPolarHBondContact O-CA 3.05Å; G280-G285 PolarHBondContact O-N 3.36Å; N283-G285 PolarHBondContact O-N 2.96Å; N283-G285 VanDerWaalsContact O-N 3.07Å |
| 286 | D | 84.1 | Confident | 88.7 | Confident | 88 Ų | 88 | 58.5 Ų | 58.5 | 47% | 0.471 | 30% | 0.304 | S | S | . | . | trans | -77.2 | 126.1 | 176 | -171 | 9.8 | 0 | 0 | 0 | 111.2 | Y279 N283 K288 | Y279-D286 WeakPolarHBondContact CD1-O 3.16Å; Y279-D286 WeakPolarHBondContact CE1-O 3.06Å; N283-D286 PolarHBondContact O-N 2.96Å; D286-K288 PolarHBondContact OD1-N 2.85Å | ||
| 287 | T | 84.5 | Confident | 88.8 | Confident | 54 Ų | 54 | 57.8 Ų | 57.8 | 33% | 0.331 | 30% | 0.298 | S | S | . | . | trans | -119.4 | -6.5 | -179.5 | 53 | 0 | 0 | 0 | 0 | 113 | L276 G289 L290 | L276-T287 HydrophobicContact CD2-CG2 4.19Å; T287-G289 PolarHBondContact O-N 2.8Å; T287-G289 VanDerWaalsContact O-N 3.17Å; T287-L290 WeakPolarHBondContact O-CB 3.44Å; T287-L290 PolarHBondContact O-N 3.25Å; T287-L290 VanDerWaalsContact O-N 3.1Å | ||
| 288 | K | 79.3 | Confident | 89 | Confident | 199 Ų | 199 | 52.2 Ų | 52.2 | 87% | 0.865 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -25.7 | -172.9 | -69.1 | -174.9 | 177.6 | -176.6 | 0 | 113.1 | D286 | D286-K288 PolarHBondContact OD1-N 2.85Š|
| 289 | G | 82.7 | Confident | 88.9 | Confident | 36 Ų | 36 | 52.7 Ų | 52.7 | 37% | 0.371 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | -3.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | T287 K291 N490 | T287-G289 PolarHBondContact O-N 2.8Å; T287-G289 VanDerWaalsContact O-N 3.17Å; G289-K291 PolarHBondContact O-N 2.86Å; G289-K291 VanDerWaalsContact O-N 3.15Å; G289-N490 PolarHBondContact O-ND2 2.9Å |
| 290 | L | 91.1 | Very high | 89 | Confident | 8 Ų | 8 | 52.5 Ų | 52.5 | 4% | 0.042 | 28% | 0.277 | C | S | . | . | trans | -65.1 | 117.1 | -173.5 | 174.9 | 60.5 | 0 | 0 | 0 | 111.4 | A275 L276 Y279 T287 L292 A464 I488 | A275-L290 HydrophobicContact CB-CD2 3.99Å; L276-L290 HydrophobicContact CD2-CD2 3.92Å; L276-L290 HydrophobicContact CG-CD2 4.22Å; Y279-L290 HydrophobicContact CD1-CB 3.88Å; Y279-L290 HydrophobicContact CD2-CB 4.38Å; Y279-L290 HydrophobicContact CD2-CD1 3.63Å; Y279-L290 HydrophobicContact CE1-CB 4.15Å; Y279-L290 HydrophobicContact CE2-CD1 4.26Å; Y279-L290 HydrophobicContact CG-CB 3.99Å; Y279-L290 HydrophobicContact CG-CD1 3.76Å; Y279-L290 HydrophobicContact CG-CG 4.28Å; T287-L290 WeakPolarHBondContact O-CB 3.44Å; T287-L290 PolarHBondContact O-N 3.25Å; T287-L290 VanDerWaalsContact O-N 3.1Å; L290-L292 HydrophobicContact CD1-CD2 4.17Å; L290-L292 HydrophobicContact CD2-CD2 4.49Å; L290-L292 HydrophobicContact CG-CD2 4.38Å; L290-A464 HydrophobicContact CD2-CB 3.6Å; L290-A464 HydrophobicContact CG-CB 3.9Å; L290-I488 HydrophobicContact CD1-CG1 4.2Å; L290-I488 HydrophobicContact CD1-CG2 3.94Å | ||
| 291 | K | 92.3 | Very high | 89.1 | Confident | 61 Ų | 61 | 53.4 Ų | 53.4 | 27% | 0.265 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 137.2 | 167.9 | -69 | -169.7 | 176.6 | -169.1 | 0 | 110.2 | G289 A489 N490 | G289-K291 PolarHBondContact O-N 2.86Å; G289-K291 VanDerWaalsContact O-N 3.15Å; K291-A489 HydrophobicContact CB-CB 4.08Å; K291-A489 VanDerWaalsContact O-CB 3.24Å; K291-A489 WeakPolarHBondContact O-CB 3.24Å; K291-A489 PolarHBondContact O-N 3.25Å; K291-N490 PolarHBondContact N-OD1 2.95Å; K291-N490 PolarHBondContact O-OD1 3.44Å |
| 292 | L | 94.4 | Very high | 89.5 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 144.4 | 172.5 | -60.5 | -177.3 | 0 | 0 | 0 | 110 | L271 A275 L290 F294 T461 A462 A464 V486 K487 | L271-L292 HydrophobicContact CD2-CD1 4.27Å; A275-L292 HydrophobicContact CB-CD2 3.89Å; L290-L292 HydrophobicContact CD1-CD2 4.17Å; L290-L292 HydrophobicContact CD2-CD2 4.49Å; L290-L292 HydrophobicContact CG-CD2 4.38Å; L292-F294 HydrophobicContact CB-CE2 3.75Å; L292-F294 HydrophobicContact CB-CZ 3.79Å; L292-F294 HydrophobicContact CD1-CZ 4.32Å; L292-T461 VanDerWaalsContact O-CA 3.23Å; L292-T461 WeakPolarHBondContact O-CA 3.37Å; L292-A462 PolarHBondContact N-O 3.23Å; L292-A462 PolarHBondContact O-N 2.87Å; L292-A464 HydrophobicContact CD1-CB 3.92Å; L292-A464 HydrophobicContact CG-CB 3.97Å; L292-V486 HydrophobicContact CB-CG1 3.9Å; L292-V486 HydrophobicContact CD1-CG1 3.96Å; L292-V486 HydrophobicContact CD2-CG1 4.33Å; L292-V486 HydrophobicContact CG-CG1 4.28Å; L292-K487 CarbonylContact C-O 3.56Å; L292-K487 WeakPolarHBondContact CA-O 3.49Å |
| 293 | L | 94.2 | Very high | 90.1 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 130.5 | 173.6 | -177.3 | 153 | 0 | 0 | 0 | 109.3 | E295 L412 K416 W459 Y460 V486 K487 A489 | L293-E295 HydrophobicContact CD2-CG 3.69Å; L293-E295 WeakPolarHBondContact CD2-OE1 3.39Å; L293-L412 HydrophobicContact CB-CD2 4.28Å; L293-L412 HydrophobicContact CD1-CD2 3.9Å; L293-L412 HydrophobicContact CD1-CG 4.19Å; L293-L412 HydrophobicContact CD2-CD2 4.29Å; L293-L412 HydrophobicContact CG-CD2 4.4Å; L293-K416 HydrophobicContact CD1-CG 4.22Å; L293-W459 HydrophobicContact CD1-CB 4.18Å; L293-W459 HydrophobicContact CD1-CG 3.87Å; L293-W459 HydrophobicContact CD2-CB 3.77Å; L293-W459 HydrophobicContact CD2-CG 4.35Å; L293-W459 HydrophobicContact CG-CB 3.91Å; L293-W459 HydrophobicContact CG-CG 4.13Å; L293-Y460 CarbonylContact C-O 3.57Å; L293-Y460 VanDerWaalsContact CA-O 3.3Å; L293-Y460 WeakPolarHBondContact CA-O 3.44Å; L293-V486 CarbonylContact O-C 3.57Å; L293-V486 VanDerWaalsContact O-CA 3.31Å; L293-V486 WeakPolarHBondContact O-CA 3.32Å; L293-K487 HydrophobicContact CB-CB 4.5Å; L293-K487 HydrophobicContact CD2-CD 4.3Å; L293-K487 PolarHBondContact N-O 2.81Å; L293-K487 PolarHBondContact O-N 3.19Å; L293-A489 HydrophobicContact CB-CB 3.73Å |
| 294 | F | 95.4 | Very high | 90.6 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 131.3 | -174.8 | -58.9 | -93.2 | 0 | 0 | 0 | 110.2 | L292 M436 F444 W459 Y460 A462 E468 V469 A472 L484 V486 | L292-F294 HydrophobicContact CB-CE2 3.75Å; L292-F294 HydrophobicContact CB-CZ 3.79Å; L292-F294 HydrophobicContact CD1-CZ 4.32Å; F294-M436 HydrophobicContact CD2-SD 3.85Å; F294-M436 HydrophobicContact CE2-SD 4.19Å; F294-M436 HydrophobicContact CG-SD 4.1Å; F294-F444 HydrophobicContact CB-CE1 4Å; F294-F444 HydrophobicContact CB-CZ 4.14Å; F294-W459 WeakPolarHBondContact O-CA 3.38Å; F294-W459 WeakPolarHBondContact O-CB 3.46Å; F294-Y460 PolarHBondContact N-O 3.2Å; F294-Y460 PolarHBondContact O-N 3.24Å; F294-Y460 VanDerWaalsContact O-N 3.12Å; F294-A462 HydrophobicContact CD2-CB 4.39Å; F294-A462 HydrophobicContact CE2-CB 3.57Å; F294-A462 HydrophobicContact CZ-CB 4.25Å; F294-E468 HydrophobicContact CZ-CB 4.04Å; F294-V469 HydrophobicContact CE1-CB 4.49Å; F294-V469 HydrophobicContact CE1-CG2 3.97Å; F294-V469 HydrophobicContact CZ-CG2 4.45Å; F294-A472 HydrophobicContact CD1-CB 3.93Å; F294-A472 HydrophobicContact CG-CB 4.43Å; F294-L484 HydrophobicContact CB-CD1 4.14Å; F294-L484 HydrophobicContact CD1-CD1 4.22Å; F294-L484 HydrophobicContact CD1-CD2 4.11Å; F294-V486 HydrophobicContact CD1-CG1 4.29Å; F294-V486 HydrophobicContact CD1-CG2 3.97Å; F294-V486 HydrophobicContact CE1-CG1 4.06Å; F294-V486 HydrophobicContact CE1-CG2 4.11Å; F294-V486 HydrophobicContact CZ-CG1 4.48Å |
| 295 | E | 95.2 | Very high | 91.3 | Very high | 4 Ų | 4 | 32 Ų | 32 | 2% | 0.019 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 152.1 | 178.4 | -81.4 | 172.1 | -161.4 | 0 | 0 | 111.5 | L293 K297 K416 W459 I485 K487 | L293-E295 HydrophobicContact CD2-CG 3.69Å; L293-E295 WeakPolarHBondContact CD2-OE1 3.39Å; E295-K297 PolarHBondContact O-N 3.11Å; E295-K416 WeakPolarHBondContact OE1-CE 3.4Å; E295-K416 IonicContact OE1-NZ 2.61Å; E295-K416 PolarHBondContact OE1-NZ 3.31Å; E295-W459 HydrophobicContact CG-CB 3.77Å; E295-I485 HydrophobicContact CB-CB 4.32Å; E295-I485 PolarHBondContact N-O 3.17Å; E295-I485 PolarHBondContact O-N 3.08Å; E295-K487 IonicContact OE1-NZ 3.34Å; E295-K487 PolarHBondContact OE1-NZ 3.46Å; E295-K487 WeakPolarHBondContact OE2-CE 3.49Å; E295-K487 IonicContact OE2-NZ 2.72Å; E295-K487 PolarHBondContact OE2-NZ 2.61Å |
| 296 | T | 95.5 | Very high | 92.2 | Very high | 6 Ų | 6 | 29.4 Ų | 29.4 | 4% | 0.037 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.3 | 135.4 | 169.1 | -59.7 | 0 | 0 | 0 | 0 | 110.8 | F298 F444 L476 Q481 | T296-F298 HydrophobicContact CG2-CD1 3.92Å; T296-F298 HydrophobicContact CG2-CE1 3.8Å; T296-F298 HydrophobicContact CG2-CE2 4.45Å; T296-F298 HydrophobicContact CG2-CG 4.32Å; T296-F298 HydrophobicContact CG2-CZ 4.08Å; T296-F298 WeakPolarHBondContact O-CD2 3.31Å; T296-F298 PolarHBondContact O-N 2.77Å; T296-F444 WeakPolarHBondContact OG1-CB 3.43Å; T296-L476 HydrophobicContact CG2-CD2 4.24Å; T296-L476 WeakPolarHBondContact OG1-CD2 3.33Å; T296-Q481 HydrophobicContact CG2-CB 4.12Å; T296-Q481 HydrophobicContact CG2-CG 4.11Å |
| 297 | K | 95.6 | Very high | 92.9 | Very high | 38 Ų | 38 | 25.7 Ų | 25.7 | 17% | 0.165 | 13% | 0.131 | C | C | . | . | trans | -82 | 101.8 | 163.1 | -168.6 | -174.9 | -178.2 | -59 | 0 | 109.5 | E295 E482 G483 I485 K509 | E295-K297 PolarHBondContact O-N 3.11Å; K297-E482 IonicContact NZ-OE1 2.93Å; K297-E482 PolarHBondContact NZ-OE1 3.37Å; K297-E482 IonicContact NZ-OE2 3.59Å; K297-E482 PolarHBondContact NZ-OE2 2.92Å; K297-E482 VanDerWaalsContact O-CB 3.25Å; K297-E482 WeakPolarHBondContact O-CB 3.03Å; K297-G483 VanDerWaalsContact CB-O 3.25Å; K297-G483 WeakPolarHBondContact CB-O 3.36Å; K297-G483 PolarHBondContact N-O 3.2Å; K297-I485 HydrophobicContact CB-CD1 3.95Å; K297-I485 HydrophobicContact CB-CG1 3.85Å; K297-I485 HydrophobicContact CD-CD1 4.05Å; K297-I485 HydrophobicContact CG-CD1 3.78Å; K297-I485 HydrophobicContact CG-CG1 4.07Å; K297-K509 HydrophobicContact CD-CG 4.4Å | ||
| 298 | F | 93.9 | Very high | 93.5 | Very high | 20 Ų | 20 | 24.7 Ų | 24.7 | 9% | 0.088 | 13% | 0.127 | C | C | . | . | trans | -75.1 | 136.4 | 175.5 | -58.6 | -76.9 | 0 | 0 | 0 | 112 | T296 G300 E357 M359 I395 P446 S457 | T296-F298 HydrophobicContact CG2-CD1 3.92Å; T296-F298 HydrophobicContact CG2-CE1 3.8Å; T296-F298 HydrophobicContact CG2-CE2 4.45Å; T296-F298 HydrophobicContact CG2-CG 4.32Å; T296-F298 HydrophobicContact CG2-CZ 4.08Å; T296-F298 WeakPolarHBondContact O-CD2 3.31Å; T296-F298 PolarHBondContact O-N 2.77Å; F298-G300 PolarHBondContact O-N 3.03Å; F298-E357 HydrophobicContact CB-CB 4.29Å; F298-E357 HydrophobicContact CB-CG 4.18Å; F298-M359 HydrophobicContact CB-CE 4.18Å; F298-M359 HydrophobicContact CB-SD 3.78Å; F298-I395 HydrophobicContact CD1-CD1 3.59Å; F298-I395 HydrophobicContact CD2-CD1 4.33Å; F298-I395 HydrophobicContact CD2-CG2 4.11Å; F298-I395 HydrophobicContact CE1-CD1 3.66Å; F298-I395 HydrophobicContact CE2-CD1 4.4Å; F298-I395 HydrophobicContact CE2-CG2 3.76Å; F298-I395 HydrophobicContact CG-CD1 3.94Å; F298-I395 HydrophobicContact CZ-CD1 4.08Å; F298-I395 HydrophobicContact CZ-CG2 4.04Å; F298-P446 HydrophobicContact CE1-CB 4.48Å; F298-P446 HydrophobicContact CE1-CG 4.25Å; F298-P446 HydrophobicContact CZ-CB 4.12Å; F298-P446 HydrophobicContact CZ-CG 4.37Å; F298-S457 WeakPolarHBondContact CE2-OG 3.33Å | ||
| 299 | D | 89.3 | Confident | 94.2 | Very high | 22 Ų | 22 | 18.2 Ų | 18.2 | 12% | 0.118 | 11% | 0.106 | C | C | . | . | trans | -94.3 | 72.5 | 178.4 | -172.4 | 23.3 | 0 | 0 | 0 | 111.4 | K371 E482 R647 | D299-K371 WeakPolarHBondContact O-CB 3.45Å; D299-K371 PolarHBondContact O-N 2.92Å; D299-K371 VanDerWaalsContact O-N 3.08Å; D299-E482 VanDerWaalsContact CA-OE2 3.25Å; D299-E482 WeakPolarHBondContact CA-OE2 3.35Å; D299-E482 HydrophobicContact CB-CB 4.18Å; D299-E482 HydrophobicContact CB-CG 4.07Å; D299-E482 WeakPolarHBondContact CB-OE2 3.38Å; D299-E482 PolarHBondContact N-OE2 3.32Å; D299-R647 IonicContact OD1-NH2 2.71Å; D299-R647 PolarHBondContact OD1-NH2 2.67Å; D299-R647 IonicContact OD2-CZ 2.67Å; D299-R647 IonicContact OD2-NH1 3.67Å; D299-R647 PolarHBondContact OD2-NH1 3.35Å; D299-R647 IonicContact OD2-NH2 3.56Å; D299-R647 PolarHBondContact OD2-NH2 2.61Å | ||
| 300 | G | 91.5 | Very high | 94.8 | Very high | 12 Ų | 12 | 19.7 Ų | 19.7 | 12% | 0.124 | 11% | 0.106 | C | C | . | . | S | Bend | trans | -128.9 | -142.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | F298 M358 M359 | F298-G300 PolarHBondContact O-N 3.03Å; G300-M358 CarbonylContact C-O 3.51Å; G300-M358 WeakPolarHBondContact CA-O 3.4Å; G300-M359 WeakPolarHBondContact CA-SD 3.46Å |
| 301 | E | 92.3 | Very high | 95.1 | Very high | 28 Ų | 28 | 21.1 Ų | 21.1 | 13% | 0.131 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 116.1 | 171 | -61 | -156.6 | 140.4 | 0 | 0 | 112.4 | V303 E357 M358 K371 V377 K378 | E301-V303 PolarHBondContact O-N 2.79Å; E301-E357 VanDerWaalsContact C-OE1 3.29Å; E301-E357 WeakPolarHBondContact CA-OE1 3.45Å; E301-E357 PolarHBondContact N-OE1 3.21Å; E301-M358 PolarHBondContact N-O 3.14Å; E301-M358 WeakPolarHBondContact O-CB 3.38Å; E301-M358 PolarHBondContact O-N 2.97Å; E301-K371 HydrophobicContact CG-CD 4.25Å; E301-K371 VanDerWaalsContact CG-NZ 3.34Å; E301-K371 WeakPolarHBondContact OE1-CE 3.38Å; E301-K371 IonicContact OE1-NZ 3.61Å; E301-K371 PolarHBondContact OE1-NZ 2.84Å; E301-V377 HydrophobicContact CB-CG2 4.47Å; E301-V377 HydrophobicContact CG-CG2 4.16Å; E301-K378 IonicContact OE1-NZ 3.65Å; E301-K378 PolarHBondContact OE1-NZ 2.83Å; E301-K378 VanDerWaalsContact OE2-CD 3.25Å; E301-K378 WeakPolarHBondContact OE2-CD 3.01Å; E301-K378 WeakPolarHBondContact OE2-CE 3.07Å; E301-K378 IonicContact OE2-NZ 2.83Å; E301-K378 PolarHBondContact OE2-NZ 3.09Å |
| 302 | R | 95.8 | Very high | 95.3 | Very high | 39 Ų | 39 | 18.2 Ų | 18.2 | 15% | 0.147 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -51.1 | 121.3 | 172 | -173.6 | 59.9 | 155.6 | -130 | 6.3 | 113.2 | P259 R317 D355 G356 E357 F397 | P259-R302 HydrophobicContact CG-CG 4.2Å; R302-R317 HydrophobicContact CB-CB 4.18Å; R302-R317 HydrophobicContact CG-CB 4.38Å; R302-R317 PolarHBondContact O-N 2.95Å; R302-D355 WeakPolarHBondContact CD-OD1 3.27Å; R302-D355 IonicContact CZ-OD1 3.43Å; R302-D355 IonicContact CZ-OD2 3.74Å; R302-D355 IonicContact NE-OD1 2.84Å; R302-D355 PolarHBondContact NE-OD1 2.93Å; R302-D355 IonicContact NE-OD2 3.73Å; R302-D355 IonicContact NH2-OD1 2.71Å; R302-D355 PolarHBondContact NH2-OD1 3.03Å; R302-D355 IonicContact NH2-OD2 3.31Å; R302-D355 PolarHBondContact NH2-OD2 2.87Å; R302-G356 VanDerWaalsContact CD-O 3.25Å; R302-G356 WeakPolarHBondContact CD-O 3.06Å; R302-E357 WeakPolarHBondContact CA-OE2 3.47Å; R302-E357 VanDerWaalsContact N-CD 3.26Å; R302-E357 PolarHBondContact N-OE1 2.87Å; R302-E357 PolarHBondContact N-OE2 3.13Å; R302-F397 VanDerWaalsContact NE-CZ 3.33Å |
| 303 | V | 96.5 | Very high | 95.5 | Very high | 3 Ų | 3 | 21.5 Ų | 21.5 | 2% | 0.018 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 133.1 | 179.6 | 170.3 | 0 | 0 | 0 | 0 | 110.5 | E301 Y314 W315 Y326 G356 M358 F394 | E301-V303 PolarHBondContact O-N 2.79Å; V303-Y314 HydrophobicContact CG1-CD1 3.83Å; V303-W315 CarbonylContact C-O 3.53Å; V303-W315 WeakPolarHBondContact CA-O 3.28Å; V303-Y326 HydrophobicContact CG2-CE2 4.47Å; V303-G356 PolarHBondContact N-O 2.83Å; V303-G356 PolarHBondContact O-N 3.39Å; V303-G356 VanDerWaalsContact O-O 3.09Å; V303-M358 HydrophobicContact CG1-CE 4.4Å; V303-M358 HydrophobicContact CG2-CB 3.89Å; V303-M358 HydrophobicContact CG2-CE 4.46Å; V303-F394 HydrophobicContact CB-CE2 4.07Å; V303-F394 HydrophobicContact CG1-CE2 4.24Å |
| 304 | Q | 97.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 121.5 | 166 | -66.8 | 167.6 | -12.1 | 0 | 0 | 108.2 | F257 Y314 W315 L354 | F257-Q304 VanDerWaalsContact CD2-NE2 3.33Å; F257-Q304 HydrophobicContact CE1-CB 4.47Å; F257-Q304 VanDerWaalsContact CE1-CD 3.42Å; F257-Q304 HydrophobicContact CE1-CG 4Å; F257-Q304 HydrophobicContact CE2-CG 4.47Å; F257-Q304 HydrophobicContact CZ-CG 3.77Å; F257-Q304 PolarHBondContact O-NE2 2.99Å; F257-Q304 PolarHBondContact O-OE1 2.77Å; Q304-Y314 WeakPolarHBondContact O-CA 3.16Å; Q304-W315 HydrophobicContact CB-CB 4.47Å; Q304-W315 PolarHBondContact N-O 3.41Å; Q304-W315 PolarHBondContact O-N 3.46Å; Q304-L354 WeakPolarHBondContact CA-O 3.04Å |
| 305 | L | 98 | Very high | 95.6 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 122.8 | 174.2 | 179.4 | 162.9 | 0 | 0 | 0 | 108.2 | K307 Y312 Y314 L341 F345 I353 L354 F394 | L305-K307 HydrophobicContact CD2-CB 4.02Å; L305-Y312 HydrophobicContact CD1-CD1 4.39Å; L305-Y312 HydrophobicContact CD2-CD1 3.99Å; L305-Y312 HydrophobicContact CD2-CE1 4.24Å; L305-Y312 HydrophobicContact CG-CD1 4.29Å; L305-Y314 HydrophobicContact CB-CD1 4.3Å; L305-Y314 HydrophobicContact CB-CE1 4.24Å; L305-Y314 HydrophobicContact CD1-CD1 4.47Å; L305-Y314 HydrophobicContact CD1-CE1 3.62Å; L305-Y314 HydrophobicContact CG-CD1 4.34Å; L305-Y314 HydrophobicContact CG-CE1 3.86Å; L305-L341 HydrophobicContact CD1-CD1 3.7Å; L305-F345 HydrophobicContact CD2-CZ 4.37Å; L305-I353 CarbonylContact O-C 3.54Å; L305-I353 WeakPolarHBondContact O-CA 3.25Å; L305-L354 HydrophobicContact CB-CB 4.35Å; L305-L354 HydrophobicContact CD2-CD1 4.3Å; L305-L354 PolarHBondContact N-O 3.32Å; L305-L354 PolarHBondContact O-N 2.82Å; L305-F394 HydrophobicContact CB-CE1 3.85Å; L305-F394 HydrophobicContact CB-CZ 3.97Å; L305-F394 HydrophobicContact CD1-CD1 4.09Å; L305-F394 HydrophobicContact CD1-CE1 3.87Å |
| 306 | H | 98.2 | Very high | 95.6 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 131 | 171 | -65.3 | -140.1 | 0 | 0 | 0 | 107.8 | L253 F254 V255 F257 Y312 R313 W315 C352 I353 | L253-H306 HydrophobicContact CD1-CB 4.15Å; F254-H306 HydrophobicContact CD1-CB 3.64Å; F254-H306 HydrophobicContact CE1-CB 3.92Å; F254-H306 PolarHBondContact N-ND1 3.25Å; F254-H306 VanDerWaalsContact N-ND1 3.12Å; V255-H306 PolarHBondContact O-CE1 3.27Å; V255-H306 VanDerWaalsContact O-CE1 3.29Å; F257-H306 AromaticContact CE1-NE2 3.7Å; H306-Y312 CarbonylContact O-C 3.53Å; H306-Y312 WeakPolarHBondContact O-CA 3.45Å; H306-R313 HydrophobicContact CB-CB 4.48Å; H306-R313 PolarHBondContact N-O 2.9Å; H306-R313 PolarHBondContact O-N 3.43Å; H306-W315 HydrophobicContact CB-CZ3 3.83Å; H306-W315 AromaticContact CD2-CE3 3.66Å; H306-W315 AromaticContact CD2-CZ3 3.52Å; H306-W315 AromaticContact CG-CZ3 3.48Å; H306-W315 VanDerWaalsContact CG-CZ3 3.48Å; H306-W315 AromaticContact ND1-CZ3 3.82Å; H306-W315 AromaticContact NE2-CE3 3.9Å; H306-W315 AromaticContact NE2-CZ3 3.93Å; H306-C352 WeakPolarHBondContact CA-O 3.4Å; H306-I353 HydrophobicContact CB-CG1 4.47Å |
| 307 | K | 97.5 | Very high | 95.6 | Very high | 9 Ų | 9 | 26.9 Ų | 26.9 | 4% | 0.039 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 134.2 | 178.7 | 176.7 | -176.1 | 179.3 | -70.5 | 0 | 109 | L305 S309 S311 Y312 F345 V349 T350 D351 C352 | L305-K307 HydrophobicContact CD2-CB 4.02Å; K307-S309 WeakPolarHBondContact CE-O 3.4Å; K307-S309 PolarHBondContact NZ-O 3.46Å; K307-S311 CarbonylContact C-O 3.54Å; K307-S311 WeakPolarHBondContact CA-O 3.24Å; K307-Y312 HydrophobicContact CB-CD1 4.01Å; K307-Y312 HydrophobicContact CB-CE1 3.82Å; K307-Y312 HydrophobicContact CD-CE1 3.66Å; K307-Y312 VanDerWaalsContact CE-OH 3.24Å; K307-Y312 WeakPolarHBondContact CE-OH 3.4Å; K307-Y312 HydrophobicContact CG-CD1 4.16Å; K307-Y312 HydrophobicContact CG-CE1 3.62Å; K307-Y312 HydrophobicContact CG-CE2 4.47Å; K307-F345 HydrophobicContact CD-CD1 4.06Å; K307-F345 HydrophobicContact CD-CD2 4.06Å; K307-F345 HydrophobicContact CD-CE1 3.98Å; K307-F345 HydrophobicContact CD-CE2 3.99Å; K307-F345 HydrophobicContact CD-CG 4.1Å; K307-F345 HydrophobicContact CD-CZ 3.95Å; K307-V349 PolarHBondContact NZ-O 3Å; K307-T350 PolarHBondContact NZ-O 2.93Å; K307-T350 VanDerWaalsContact NZ-O 3.11Å; K307-D351 CarbonylContact O-C 3.55Å; K307-D351 VanDerWaalsContact O-CA 3.25Å; K307-D351 WeakPolarHBondContact O-CA 3.47Å; K307-C352 PolarHBondContact N-O 3.03Å; K307-C352 PolarHBondContact O-N 2.89Å |
| 308 | S | 97 | Very high | 95.3 | Very high | 33 Ų | 33 | 29.1 Ų | 29.1 | 23% | 0.231 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 111.6 | 164.1 | -170.1 | 0 | 0 | 0 | 0 | 109.5 | N310 S311 D351 | S308-N310 PolarHBondContact O-N 3.13Å; S308-S311 PolarHBondContact N-O 2.98Å; S308-S311 PolarHBondContact O-N 3.24Å; S308-D351 WeakPolarHBondContact CA-OD1 3.32Å; S308-D351 VanDerWaalsContact CB-OD1 3.27Å; S308-D351 WeakPolarHBondContact CB-OD1 3.49Å; S308-D351 PolarHBondContact OG-OD1 3.42Å |
| 309 | S | 95.3 | Very high | 95.2 | Very high | 63 Ų | 63 | 28.2 Ų | 28.2 | 44% | 0.441 | 15% | 0.148 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.7 | -107 | -171 | -55.3 | 0 | 0 | 0 | 0 | 111.3 | K307 T350 | K307-S309 WeakPolarHBondContact CE-O 3.4Å; K307-S309 PolarHBondContact NZ-O 3.46Å; S309-T350 PolarHBondContact N-O 3.46Å |
| 310 | N | 94.9 | Very high | 95.3 | Very high | 67 Ų | 67 | 30.9 Ų | 30.9 | 36% | 0.358 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.7 | -8.5 | 179.2 | -59.5 | -9.1 | 0 | 0 | 0 | 112.9 | S308 Y312 D329 G330 T331 H342 | S308-N310 PolarHBondContact O-N 3.13Å; N310-Y312 VanDerWaalsContact O-CD2 3.23Å; N310-Y312 WeakPolarHBondContact O-CD2 3.25Å; N310-Y312 WeakPolarHBondContact O-CE2 3.38Å; N310-D329 WeakPolarHBondContact O-CA 3.37Å; N310-G330 PolarHBondContact O-N 3.21Å; N310-T331 HydrophobicContact CB-CG2 4.22Å; N310-T331 WeakPolarHBondContact ND2-CG2 3.43Å; N310-H342 PolarHBondContact OD1-CE1 3.41Å; N310-H342 PolarHBondContact OD1-NE2 3.05Å |
| 311 | S | 96.7 | Very high | 95.3 | Very high | 38 Ų | 38 | 34.4 Ų | 34.4 | 27% | 0.266 | 18% | 0.175 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 133.2 | -178.7 | -175.5 | 0 | 0 | 0 | 0 | 111 | K307 S308 E328 | K307-S311 CarbonylContact C-O 3.54Å; K307-S311 WeakPolarHBondContact CA-O 3.24Å; S308-S311 PolarHBondContact N-O 2.98Å; S308-S311 PolarHBondContact O-N 3.24Å; S311-E328 CarbonylContact C-O 3.57Å; S311-E328 WeakPolarHBondContact CA-O 3.41Å |
| 312 | Y | 97.5 | Very high | 95.3 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 145.3 | 179.8 | -68.4 | -95.7 | 0 | 0 | 0 | 110.8 | L305 H306 K307 N310 T323 E328 S338 H342 F345 | L305-Y312 HydrophobicContact CD1-CD1 4.39Å; L305-Y312 HydrophobicContact CD2-CD1 3.99Å; L305-Y312 HydrophobicContact CD2-CE1 4.24Å; L305-Y312 HydrophobicContact CG-CD1 4.29Å; H306-Y312 CarbonylContact O-C 3.53Å; H306-Y312 WeakPolarHBondContact O-CA 3.45Å; K307-Y312 HydrophobicContact CB-CD1 4.01Å; K307-Y312 HydrophobicContact CB-CE1 3.82Å; K307-Y312 HydrophobicContact CD-CE1 3.66Å; K307-Y312 VanDerWaalsContact CE-OH 3.24Å; K307-Y312 WeakPolarHBondContact CE-OH 3.4Å; K307-Y312 HydrophobicContact CG-CD1 4.16Å; K307-Y312 HydrophobicContact CG-CE1 3.62Å; K307-Y312 HydrophobicContact CG-CE2 4.47Å; N310-Y312 VanDerWaalsContact O-CD2 3.23Å; N310-Y312 WeakPolarHBondContact O-CD2 3.25Å; N310-Y312 WeakPolarHBondContact O-CE2 3.38Å; Y312-T323 WeakPolarHBondContact O-CG2 3.12Å; Y312-E328 PolarHBondContact N-O 2.8Å; Y312-S338 WeakPolarHBondContact CB-OG 3.42Å; Y312-H342 HydrophobicContact CE2-CB 4.44Å; Y312-H342 AromaticContact CE2-ND1 3.77Å; Y312-H342 AromaticContact CZ-ND1 3.77Å; Y312-H342 VanDerWaalsContact OH-CA 3.31Å; Y312-H342 WeakPolarHBondContact OH-CA 3.35Å; Y312-H342 WeakPolarHBondContact OH-CB 3.45Å; Y312-H342 PolarHBondContact OH-ND1 2.89Å; Y312-F345 AromaticContact CE1-CE2 3.94Å; Y312-F345 HydrophobicContact CE1-CE2 3.94Å; Y312-F345 HydrophobicContact CE1-CZ 4.3Å |
| 313 | R | 97.1 | Very high | 95.1 | Very high | 70 Ų | 70 | 34.8 Ų | 34.8 | 26% | 0.264 | 18% | 0.176 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 143.1 | 173 | -61.6 | -71.6 | 177.1 | 147.5 | -3.7 | 110 | F254 H306 W315 E321 T323 E328 | F254-R313 HydrophobicContact CD1-CB 3.75Å; F254-R313 HydrophobicContact CD1-CG 3.37Å; F254-R313 HydrophobicContact CE1-CB 4.03Å; F254-R313 HydrophobicContact CE1-CG 3.58Å; F254-R313 HydrophobicContact CG-CG 4.16Å; F254-R313 HydrophobicContact CZ-CG 4.48Å; H306-R313 HydrophobicContact CB-CB 4.48Å; H306-R313 PolarHBondContact N-O 2.9Å; H306-R313 PolarHBondContact O-N 3.43Å; R313-W315 HydrophobicContact CB-CE3 4.2Å; R313-W315 HydrophobicContact CB-CH2 3.21Å; R313-W315 HydrophobicContact CB-CZ2 4.02Å; R313-W315 HydrophobicContact CB-CZ3 3.32Å; R313-W315 HydrophobicContact CG-CH2 3.86Å; R313-W315 HydrophobicContact CG-CZ3 4.4Å; R313-E321 VanDerWaalsContact CD-OE1 3.25Å; R313-E321 WeakPolarHBondContact CD-OE1 3.37Å; R313-E321 IonicContact CZ-OE1 3.39Å; R313-E321 IonicContact NE-OE1 3.63Å; R313-E321 IonicContact NH1-OE1 2.84Å; R313-E321 PolarHBondContact NH1-OE1 3.14Å; R313-E321 IonicContact NH1-OE2 3.57Å; R313-T323 WeakPolarHBondContact CA-OG1 3.36Å; R313-T323 WeakPolarHBondContact CD-OG1 3.3Å; R313-E328 IonicContact CZ-OE1 3.59Å; R313-E328 IonicContact NE-OE1 2.82Å; R313-E328 IonicContact NH2-OE1 3.36Å; R313-E328 PolarHBondContact NH2-OE1 2.89Å |
| 314 | Y | 96.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 125.6 | -173.2 | -60.8 | -100.2 | 0 | 0 | 0 | 111.1 | V303 Q304 L305 E321 W322 T323 Y326 G327 L337 S338 L341 | V303-Y314 HydrophobicContact CG1-CD1 3.83Å; Q304-Y314 WeakPolarHBondContact O-CA 3.16Å; L305-Y314 HydrophobicContact CB-CD1 4.3Å; L305-Y314 HydrophobicContact CB-CE1 4.24Å; L305-Y314 HydrophobicContact CD1-CD1 4.47Å; L305-Y314 HydrophobicContact CD1-CE1 3.62Å; L305-Y314 HydrophobicContact CG-CD1 4.34Å; L305-Y314 HydrophobicContact CG-CE1 3.86Å; Y314-E321 CarbonylContact O-C 3.55Å; Y314-E321 VanDerWaalsContact O-CA 3.32Å; Y314-E321 WeakPolarHBondContact O-CA 3.19Å; Y314-W322 PolarHBondContact O-N 3.37Å; Y314-T323 PolarHBondContact N-OG1 3.06Å; Y314-Y326 AromaticContact CD1-CD2 3.74Å; Y314-Y326 HydrophobicContact CD1-CD2 3.74Å; Y314-Y326 HydrophobicContact CD1-CE2 4.48Å; Y314-Y326 HydrophobicContact CD1-CG 4.2Å; Y314-Y326 HydrophobicContact CD2-CD2 4.13Å; Y314-Y326 HydrophobicContact CD2-CG 4.42Å; Y314-Y326 HydrophobicContact CE1-CD2 4.38Å; Y314-Y326 HydrophobicContact CE1-CG 4.39Å; Y314-Y326 AromaticContact CG-CD2 3.58Å; Y314-Y326 HydrophobicContact CG-CD2 3.58Å; Y314-Y326 HydrophobicContact CG-CE2 4.48Å; Y314-Y326 HydrophobicContact CG-CG 4.2Å; Y314-G327 WeakPolarHBondContact CE2-O 3.35Å; Y314-L337 HydrophobicContact CE1-CD2 4.4Å; Y314-S338 WeakPolarHBondContact CE2-OG 3.41Å; Y314-S338 PolarHBondContact OH-OG 2.8Å; Y314-L341 HydrophobicContact CE1-CD1 4.46Å |
| 315 | W | 96.5 | Very high | 94.3 | Very high | 15 Ų | 15 | 40 Ų | 40 | 6% | 0.057 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 136.5 | 174.8 | -67.9 | -87.3 | 0 | 0 | 0 | 112.3 | F254 P256 V303 Q304 H306 R313 L320 | F254-W315 HydrophobicContact CB-CH2 4.24Å; F254-W315 HydrophobicContact CD1-CH2 4.36Å; F254-W315 WeakPolarHBondContact O-CH2 3.32Å; P256-W315 HydrophobicContact CB-CB 4.11Å; P256-W315 HydrophobicContact CB-CD2 3.87Å; P256-W315 HydrophobicContact CB-CG 3.59Å; P256-W315 HydrophobicContact CG-CD2 4.41Å; P256-W315 HydrophobicContact CG-CG 4.29Å; V303-W315 CarbonylContact C-O 3.53Å; V303-W315 WeakPolarHBondContact CA-O 3.28Å; Q304-W315 HydrophobicContact CB-CB 4.47Å; Q304-W315 PolarHBondContact N-O 3.41Å; Q304-W315 PolarHBondContact O-N 3.46Å; H306-W315 HydrophobicContact CB-CZ3 3.83Å; H306-W315 AromaticContact CD2-CE3 3.66Å; H306-W315 AromaticContact CD2-CZ3 3.52Å; H306-W315 AromaticContact CG-CZ3 3.48Å; H306-W315 VanDerWaalsContact CG-CZ3 3.48Å; H306-W315 AromaticContact ND1-CZ3 3.82Å; H306-W315 AromaticContact NE2-CE3 3.9Å; H306-W315 AromaticContact NE2-CZ3 3.93Å; R313-W315 HydrophobicContact CB-CE3 4.2Å; R313-W315 HydrophobicContact CB-CH2 3.21Å; R313-W315 HydrophobicContact CB-CZ2 4.02Å; R313-W315 HydrophobicContact CB-CZ3 3.32Å; R313-W315 HydrophobicContact CG-CH2 3.86Å; R313-W315 HydrophobicContact CG-CZ3 4.4Å; W315-L320 WeakPolarHBondContact CA-O 3.43Å |
| 316 | S | 94.7 | Very high | 94 | Very high | 13 Ų | 13 | 40.1 Ų | 40.1 | 9% | 0.091 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 167.9 | 169.9 | 63.9 | 0 | 0 | 0 | 0 | 111.6 | N318 G319 L320 | S316-N318 PolarHBondContact O-N 2.74Å; S316-G319 PolarHBondContact O-N 3.32Å; S316-L320 PolarHBondContact N-O 3Å; S316-L320 WeakPolarHBondContact OG-CB 3.27Å; S316-L320 PolarHBondContact OG-N 3.05Å; S316-L320 PolarHBondContact OG-O 2.79Å; S316-L320 VanDerWaalsContact OG-O 3.1Å |
| 317 | R | 94.4 | Very high | 93.6 | Very high | 95 Ų | 95 | 40.2 Ų | 40.2 | 36% | 0.358 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -39 | -36.1 | 171.1 | -170.4 | -177.4 | 176.6 | 113.4 | 3.7 | 116.3 | R258 P259 R302 | R258-R317 PolarHBondContact NH1-O 2.66Å; P259-R317 WeakPolarHBondContact CD-O 3.39Å; P259-R317 HydrophobicContact CG-CG 4.43Å; R302-R317 HydrophobicContact CB-CB 4.18Å; R302-R317 HydrophobicContact CG-CB 4.38Å; R302-R317 PolarHBondContact O-N 2.95Å |
| 318 | N | 90.4 | Very high | 93.5 | Very high | 84 Ų | 84 | 44.1 Ų | 44.1 | 45% | 0.449 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.7 | 16.5 | -174.9 | -63 | -30.3 | 0 | 0 | 0 | 113.3 | R80 R258 S316 L320 | R80-N318 PolarHBondContact NH2-O 2.93Å; R80-N318 VanDerWaalsContact NH2-O 3.17Å; R258-N318 PolarHBondContact NH1-OD1 3.42Å; S316-N318 PolarHBondContact O-N 2.74Å; N318-L320 VanDerWaalsContact C-N 3.3Å; N318-L320 PolarHBondContact O-N 3.27Å |
| 319 | G | 91.4 | Very high | 93.3 | Very high | 2 Ų | 2 | 44.2 Ų | 44.2 | 2% | 0.021 | 24% | 0.236 | C | C | . | . | S | Bend | trans | 69.6 | 23.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | R80 S316 | R80-G319 WeakPolarHBondContact CD-O 3.3Å; R80-G319 PolarHBondContact NE-O 3.31Å; S316-G319 PolarHBondContact O-N 3.32Å |
| 320 | L | 90.4 | Very high | 93.1 | Very high | 77 Ų | 77 | 41.5 Ų | 41.5 | 40% | 0.403 | 22% | 0.218 | S | C | . | . | trans | -86.5 | 129.4 | 168.6 | -57.6 | 174 | 0 | 0 | 0 | 109.1 | W315 S316 N318 W322 | W315-L320 WeakPolarHBondContact CA-O 3.43Å; S316-L320 PolarHBondContact N-O 3Å; S316-L320 WeakPolarHBondContact OG-CB 3.27Å; S316-L320 PolarHBondContact OG-N 3.05Å; S316-L320 PolarHBondContact OG-O 2.79Å; S316-L320 VanDerWaalsContact OG-O 3.1Å; N318-L320 VanDerWaalsContact C-N 3.3Å; N318-L320 PolarHBondContact O-N 3.27Å; L320-W322 VanDerWaalsContact O-CD1 3.26Å | ||
| 321 | E | 92.3 | Very high | 92.8 | Very high | 86 Ų | 86 | 41 Ų | 41 | 40% | 0.402 | 22% | 0.217 | S | C | . | . | B | Isolated β-bridge | trans | -79.9 | 137.1 | -178.9 | -167.5 | 178.2 | -177.2 | 0 | 0 | 111.8 | R313 Y314 T323 | R313-E321 VanDerWaalsContact CD-OE1 3.25Å; R313-E321 WeakPolarHBondContact CD-OE1 3.37Å; R313-E321 IonicContact CZ-OE1 3.39Å; R313-E321 IonicContact NE-OE1 3.63Å; R313-E321 IonicContact NH1-OE1 2.84Å; R313-E321 PolarHBondContact NH1-OE1 3.14Å; R313-E321 IonicContact NH1-OE2 3.57Å; Y314-E321 CarbonylContact O-C 3.55Å; Y314-E321 VanDerWaalsContact O-CA 3.32Å; Y314-E321 WeakPolarHBondContact O-CA 3.19Å; E321-T323 VanDerWaalsContact CG-OG1 3.25Å; E321-T323 WeakPolarHBondContact CG-OG1 3.3Å; E321-T323 PolarHBondContact OE1-OG1 3.12Å |
| 322 | W | 91.7 | Very high | 92.3 | Very high | 72 Ų | 72 | 48 Ų | 48 | 27% | 0.273 | 24% | 0.238 | S | C | . | . | trans | -127.5 | 15.7 | -180 | -68.4 | 97.9 | 0 | 0 | 0 | 113 | Y314 L320 A324 S325 Y326 K378 | Y314-W322 PolarHBondContact O-N 3.37Å; L320-W322 VanDerWaalsContact O-CD1 3.26Å; W322-A324 VanDerWaalsContact C-N 3.28Å; W322-A324 PolarHBondContact O-N 3.13Å; W322-S325 WeakPolarHBondContact O-CB 3.18Å; W322-S325 PolarHBondContact O-N 2.93Å; W322-Y326 HydrophobicContact CB-CD2 3.88Å; W322-Y326 HydrophobicContact CB-CE2 3.62Å; W322-Y326 HydrophobicContact CG-CE2 4.47Å; W322-Y326 WeakPolarHBondContact O-CD2 3.4Å; W322-Y326 PolarHBondContact O-N 2.87Å; W322-K378 HydrophobicContact CD2-CB 4.22Å; W322-K378 HydrophobicContact CD2-CD 4Å; W322-K378 HydrophobicContact CD2-CG 3.77Å; W322-K378 HydrophobicContact CE3-CB 3.71Å; W322-K378 HydrophobicContact CE3-CD 4.17Å; W322-K378 HydrophobicContact CE3-CG 3.81Å; W322-K378 HydrophobicContact CG-CG 4.35Å; W322-K378 HydrophobicContact CH2-CB 4.12Å; W322-K378 HydrophobicContact CH2-CD 3.69Å; W322-K378 HydrophobicContact CH2-CG 4.21Å; W322-K378 HydrophobicContact CZ2-CD 3.5Å; W322-K378 VanDerWaalsContact CZ2-CD 3.5Å; W322-K378 VanDerWaalsContact CZ2-CE 3.44Å; W322-K378 HydrophobicContact CZ2-CG 4.2Å; W322-K378 HydrophobicContact CZ3-CB 3.66Å; W322-K378 HydrophobicContact CZ3-CD 4.03Å; W322-K378 HydrophobicContact CZ3-CG 4.03Å | ||
| 323 | T | 93.1 | Very high | 91.5 | Very high | 4 Ų | 4 | 50.2 Ų | 50.2 | 3% | 0.025 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -52.4 | -43.9 | -179.8 | -48.9 | 0 | 0 | 0 | 0 | 112.5 | Y312 R313 Y314 E321 S325 Y326 G327 E328 | Y312-T323 WeakPolarHBondContact O-CG2 3.12Å; R313-T323 WeakPolarHBondContact CA-OG1 3.36Å; R313-T323 WeakPolarHBondContact CD-OG1 3.3Å; Y314-T323 PolarHBondContact N-OG1 3.06Å; E321-T323 VanDerWaalsContact CG-OG1 3.25Å; E321-T323 WeakPolarHBondContact CG-OG1 3.3Å; E321-T323 PolarHBondContact OE1-OG1 3.12Å; T323-S325 PolarHBondContact O-N 2.96Å; T323-S325 VanDerWaalsContact O-N 3.1Å; T323-Y326 PolarHBondContact O-N 2.92Å; T323-Y326 VanDerWaalsContact O-N 3.15Å; T323-G327 CarbonylContact O-C 3.57Å; T323-G327 PolarHBondContact O-N 3.03Å; T323-E328 HydrophobicContact CG2-CB 3.74Å; T323-E328 HydrophobicContact CG2-CG 4.09Å |
| 324 | A | 88.5 | Confident | 90.4 | Very high | 90 Ų | 90 | 54.7 Ų | 54.7 | 74% | 0.744 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -59.9 | -24.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | W322 R336 | W322-A324 VanDerWaalsContact C-N 3.28Å; W322-A324 PolarHBondContact O-N 3.13Å; A324-R336 PolarHBondContact O-NH1 2.87Å |
| 325 | S | 87.7 | Confident | 89.3 | Confident | 21 Ų | 21 | 58.4 Ų | 58.4 | 15% | 0.147 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -81.4 | -46.9 | 174.4 | -62.5 | 0 | 0 | 0 | 0 | 111.9 | W322 T323 R336 K378 | W322-S325 WeakPolarHBondContact O-CB 3.18Å; W322-S325 PolarHBondContact O-N 2.93Å; T323-S325 PolarHBondContact O-N 2.96Å; T323-S325 VanDerWaalsContact O-N 3.1Å; S325-R336 PolarHBondContact O-NH1 3.18Å; S325-K378 WeakPolarHBondContact CB-O 3.03Å; S325-K378 PolarHBondContact OG-O 2.74Å |
| 326 | Y | 91.1 | Very high | 88.7 | Confident | 3 Ų | 3 | 60 Ų | 60 | 1% | 0.012 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -89.8 | -13.8 | -171.1 | -60.2 | -55 | 0 | 0 | 0 | 114.6 | V303 Y314 W322 T323 R336 L337 S338 M358 V377 P392 | V303-Y326 HydrophobicContact CG2-CE2 4.47Å; Y314-Y326 AromaticContact CD1-CD2 3.74Å; Y314-Y326 HydrophobicContact CD1-CD2 3.74Å; Y314-Y326 HydrophobicContact CD1-CE2 4.48Å; Y314-Y326 HydrophobicContact CD1-CG 4.2Å; Y314-Y326 HydrophobicContact CD2-CD2 4.13Å; Y314-Y326 HydrophobicContact CD2-CG 4.42Å; Y314-Y326 HydrophobicContact CE1-CD2 4.38Å; Y314-Y326 HydrophobicContact CE1-CG 4.39Å; Y314-Y326 AromaticContact CG-CD2 3.58Å; Y314-Y326 HydrophobicContact CG-CD2 3.58Å; Y314-Y326 HydrophobicContact CG-CE2 4.48Å; Y314-Y326 HydrophobicContact CG-CG 4.2Å; W322-Y326 HydrophobicContact CB-CD2 3.88Å; W322-Y326 HydrophobicContact CB-CE2 3.62Å; W322-Y326 HydrophobicContact CG-CE2 4.47Å; W322-Y326 WeakPolarHBondContact O-CD2 3.4Å; W322-Y326 PolarHBondContact O-N 2.87Å; T323-Y326 PolarHBondContact O-N 2.92Å; T323-Y326 VanDerWaalsContact O-N 3.15Å; Y326-R336 WeakPolarHBondContact O-CB 3.47Å; Y326-L337 HydrophobicContact CD1-CB 4.36Å; Y326-L337 HydrophobicContact CD1-CD2 3.78Å; Y326-L337 HydrophobicContact CE1-CD2 4.42Å; Y326-L337 HydrophobicContact CG-CD2 4.2Å; Y326-L337 WeakPolarHBondContact O-CB 3.48Å; Y326-L337 PolarHBondContact O-N 3.08Å; Y326-S338 PolarHBondContact O-N 3.09Å; Y326-S338 PolarHBondContact O-OG 3.13Å; Y326-M358 HydrophobicContact CD1-CE 4.3Å; Y326-M358 HydrophobicContact CE1-CE 3.94Å; Y326-M358 HydrophobicContact CE1-CG 4.27Å; Y326-M358 HydrophobicContact CE1-SD 4.34Å; Y326-M358 HydrophobicContact CE2-CE 4.33Å; Y326-V377 WeakPolarHBondContact CE1-O 3.32Å; Y326-P392 HydrophobicContact CE1-CB 4.22Å; Y326-P392 HydrophobicContact CE1-CG 4.35Å |
| 327 | G | 91.5 | Very high | 88.5 | Confident | 3 Ų | 3 | 59.3 Ų | 59.3 | 3% | 0.031 | 29% | 0.293 | C | S | . | . | trans | 104.1 | 139.5 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112 | Y314 T323 D333 S338 | Y314-G327 WeakPolarHBondContact CE2-O 3.35Å; T323-G327 CarbonylContact O-C 3.57Å; T323-G327 PolarHBondContact O-N 3.03Å; G327-D333 VanDerWaalsContact CA-OD2 3.32Å; G327-D333 WeakPolarHBondContact CA-OD2 3.2Å; G327-S338 VanDerWaalsContact C-OG 3.32Å; G327-S338 PolarHBondContact O-OG 3.11Å | ||
| 328 | E | 94 | Very high | 88.4 | Confident | 91 Ų | 91 | 54.8 Ų | 54.8 | 43% | 0.425 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -95.6 | -28.6 | 177.2 | -176.4 | 172 | -179.1 | 0 | 0 | 112.1 | S311 Y312 R313 T323 D333 | S311-E328 CarbonylContact C-O 3.57Å; S311-E328 WeakPolarHBondContact CA-O 3.41Å; Y312-E328 PolarHBondContact N-O 2.8Å; R313-E328 IonicContact CZ-OE1 3.59Å; R313-E328 IonicContact NE-OE1 2.82Å; R313-E328 IonicContact NH2-OE1 3.36Å; R313-E328 PolarHBondContact NH2-OE1 2.89Å; T323-E328 HydrophobicContact CG2-CB 3.74Å; T323-E328 HydrophobicContact CG2-CG 4.09Å; E328-D333 PolarHBondContact N-OD2 2.79Å |
| 329 | D | 94.1 | Very high | 88.4 | Confident | 34 Ų | 34 | 51.7 Ų | 51.7 | 18% | 0.182 | 26% | 0.262 | C | S | . | . | B | Isolated β-bridge | trans | -124.6 | 119.2 | -174.3 | -170.5 | -51.4 | 0 | 0 | 0 | 111.3 | N310 T331 R332 D333 | N310-D329 WeakPolarHBondContact O-CA 3.37Å; D329-T331 PolarHBondContact O-N 3.49Å; D329-T331 VanDerWaalsContact O-N 3.15Å; D329-T331 WeakPolarHBondContact OD1-CA 3.47Å; D329-T331 WeakPolarHBondContact OD1-CB 3.26Å; D329-T331 PolarHBondContact OD1-N 2.82Å; D329-T331 PolarHBondContact OD1-OG1 2.8Å; D329-R332 HydrophobicContact CB-CB 4.11Å; D329-R332 HydrophobicContact CB-CG 4.43Å; D329-R332 PolarHBondContact O-N 3.21Å; D329-R332 PolarHBondContact OD1-N 3.09Å; D329-R332 IonicContact OD2-NE 2.87Å; D329-D333 PolarHBondContact N-OD2 2.87Å; D329-D333 WeakPolarHBondContact O-CB 3.48Å; D329-D333 PolarHBondContact O-N 3.48Å |
| 330 | G | 90.8 | Very high | 88.3 | Confident | 6 Ų | 6 | 54.4 Ų | 54.4 | 6% | 0.062 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -4.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | N310 A339 | N310-G330 PolarHBondContact O-N 3.21Å; G330-A339 WeakPolarHBondContact O-CA 2.95Å |
| 331 | T | 88.8 | Confident | 88.4 | Confident | 56 Ų | 56 | 50.8 Ų | 50.8 | 34% | 0.344 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.8 | -11.2 | -179.1 | 64.7 | 0 | 0 | 0 | 0 | 113.9 | N310 D329 F334 | N310-T331 HydrophobicContact CB-CG2 4.22Å; N310-T331 WeakPolarHBondContact ND2-CG2 3.43Å; D329-T331 PolarHBondContact O-N 3.49Å; D329-T331 VanDerWaalsContact O-N 3.15Å; D329-T331 WeakPolarHBondContact OD1-CA 3.47Å; D329-T331 WeakPolarHBondContact OD1-CB 3.26Å; D329-T331 PolarHBondContact OD1-N 2.82Å; D329-T331 PolarHBondContact OD1-OG1 2.8Å; T331-F334 WeakPolarHBondContact O-CE1 3.48Å; T331-F334 WeakPolarHBondContact O-CZ 3.44Å |
| 332 | R | 85.8 | Confident | 88.5 | Confident | 186 Ų | 186 | 49.1 Ų | 49.1 | 70% | 0.702 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -119.4 | -31.1 | -175.7 | -60.2 | 180 | -175.5 | -179.7 | 2.2 | 113.6 | D329 F334 | D329-R332 HydrophobicContact CB-CB 4.11Å; D329-R332 HydrophobicContact CB-CG 4.43Å; D329-R332 PolarHBondContact O-N 3.21Å; D329-R332 PolarHBondContact OD1-N 3.09Å; D329-R332 IonicContact OD2-NE 2.87Å; R332-F334 VanDerWaalsContact C-N 3.25Å; R332-F334 VanDerWaalsContact O-CD2 3.29Å; R332-F334 WeakPolarHBondContact O-CD2 3.29Å; R332-F334 PolarHBondContact O-N 3.07Å; R332-F334 VanDerWaalsContact O-N 3.07Å |
| 333 | D | 79.3 | Confident | 88.5 | Confident | 47 Ų | 47 | 50.6 Ų | 50.6 | 25% | 0.251 | 27% | 0.267 | S | S | . | . | trans | -88.4 | 58.8 | -177.3 | -62 | -29.5 | 0 | 0 | 0 | 110.8 | G327 E328 D329 D335 R336 A339 | G327-D333 VanDerWaalsContact CA-OD2 3.32Å; G327-D333 WeakPolarHBondContact CA-OD2 3.2Å; E328-D333 PolarHBondContact N-OD2 2.79Å; D329-D333 PolarHBondContact N-OD2 2.87Å; D329-D333 WeakPolarHBondContact O-CB 3.48Å; D329-D333 PolarHBondContact O-N 3.48Å; D333-D335 PolarHBondContact O-N 3.19Å; D333-D335 VanDerWaalsContact O-N 3.09Å; D333-R336 HydrophobicContact CB-CB 3.88Å; D333-R336 HydrophobicContact CB-CG 3.83Å; D333-R336 WeakPolarHBondContact O-CB 3.34Å; D333-R336 PolarHBondContact O-N 2.83Å; D333-A339 WeakPolarHBondContact O-CB 3.36Å | ||
| 334 | F | 74 | Confident | 88.4 | Confident | 164 Ų | 164 | 50.9 Ų | 50.9 | 72% | 0.719 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | -29.2 | -168.9 | -61.6 | -74.2 | 0 | 0 | 0 | 115 | T331 R332 R336 | T331-F334 WeakPolarHBondContact O-CE1 3.48Å; T331-F334 WeakPolarHBondContact O-CZ 3.44Å; R332-F334 VanDerWaalsContact C-N 3.25Å; R332-F334 VanDerWaalsContact O-CD2 3.29Å; R332-F334 WeakPolarHBondContact O-CD2 3.29Å; R332-F334 PolarHBondContact O-N 3.07Å; R332-F334 VanDerWaalsContact O-N 3.07Å; F334-R336 VanDerWaalsContact C-N 3.32Å |
| 335 | D | 73.8 | Confident | 88.7 | Confident | 78 Ų | 78 | 47.5 Ų | 47.5 | 42% | 0.417 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | -2.7 | 177.1 | 67.5 | -47.1 | 0 | 0 | 0 | 112.8 | D333 Y382 | D333-D335 PolarHBondContact O-N 3.19Å; D333-D335 VanDerWaalsContact O-N 3.09Å; D335-Y382 HydrophobicContact CB-CG 4.48Å; D335-Y382 WeakPolarHBondContact O-CD1 3.26Å; D335-Y382 WeakPolarHBondContact O-CD2 3.36Å; D335-Y382 WeakPolarHBondContact O-CE1 3.46Å; D335-Y382 WeakPolarHBondContact O-CE2 3.46Å |
| 336 | R | 85 | Confident | 89.1 | Confident | 47 Ų | 47 | 46.7 Ų | 46.7 | 18% | 0.177 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -109.5 | 164.2 | -172.9 | -54.9 | -61.3 | -176.6 | 108.6 | 7.7 | 112.8 | A324 S325 Y326 D333 F334 S338 A339 Q340 | A324-R336 PolarHBondContact O-NH1 2.87Å; S325-R336 PolarHBondContact O-NH1 3.18Å; Y326-R336 WeakPolarHBondContact O-CB 3.47Å; D333-R336 HydrophobicContact CB-CB 3.88Å; D333-R336 HydrophobicContact CB-CG 3.83Å; D333-R336 WeakPolarHBondContact O-CB 3.34Å; D333-R336 PolarHBondContact O-N 2.83Å; F334-R336 VanDerWaalsContact C-N 3.32Å; R336-S338 VanDerWaalsContact C-N 3.33Å; R336-S338 PolarHBondContact O-N 3.39Å; R336-A339 PolarHBondContact O-N 3Å; R336-Q340 PolarHBondContact O-N 2.91Å |
| 337 | L | 90 | Very high | 89.1 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -57.9 | -43 | -177.5 | -179.1 | 67.1 | 0 | 0 | 0 | 111.8 | Y314 Y326 A339 Q340 L341 M358 Y382 P392 I453 | Y314-L337 HydrophobicContact CE1-CD2 4.4Å; Y326-L337 HydrophobicContact CD1-CB 4.36Å; Y326-L337 HydrophobicContact CD1-CD2 3.78Å; Y326-L337 HydrophobicContact CE1-CD2 4.42Å; Y326-L337 HydrophobicContact CG-CD2 4.2Å; Y326-L337 WeakPolarHBondContact O-CB 3.48Å; Y326-L337 PolarHBondContact O-N 3.08Å; L337-A339 VanDerWaalsContact C-N 3.31Å; L337-A339 PolarHBondContact O-N 3.21Å; L337-Q340 PolarHBondContact O-N 2.82Å; L337-Q340 VanDerWaalsContact O-N 3.09Å; L337-L341 HydrophobicContact CD1-CD1 4.14Å; L337-L341 HydrophobicContact CD1-CD2 4.17Å; L337-L341 HydrophobicContact CD1-CG 3.93Å; L337-L341 HydrophobicContact CD2-CD1 4.01Å; L337-L341 HydrophobicContact CG-CD1 3.63Å; L337-L341 HydrophobicContact CG-CG 3.88Å; L337-L341 VanDerWaalsContact O-CG 3.26Å; L337-L341 WeakPolarHBondContact O-CG 3.12Å; L337-L341 PolarHBondContact O-N 3.12Å; L337-M358 HydrophobicContact CD2-CE 3.42Å; L337-M358 VanDerWaalsContact CD2-CE 3.42Å; L337-M358 HydrophobicContact CD2-SD 3.91Å; L337-Y382 PolarHBondContact N-OH 3.05Å; L337-P392 HydrophobicContact CD2-CB 4.34Å; L337-I453 HydrophobicContact CD1-CG2 3.97Å |
| 338 | S | 93 | Very high | 89.3 | Confident | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -56.5 | -40.6 | -179 | -67.9 | 0 | 0 | 0 | 0 | 113.7 | Y312 Y314 Y326 G327 R336 L341 H342 | Y312-S338 WeakPolarHBondContact CB-OG 3.42Å; Y314-S338 WeakPolarHBondContact CE2-OG 3.41Å; Y314-S338 PolarHBondContact OH-OG 2.8Å; Y326-S338 PolarHBondContact O-N 3.09Å; Y326-S338 PolarHBondContact O-OG 3.13Å; G327-S338 VanDerWaalsContact C-OG 3.32Å; G327-S338 PolarHBondContact O-OG 3.11Å; R336-S338 VanDerWaalsContact C-N 3.33Å; R336-S338 PolarHBondContact O-N 3.39Å; S338-L341 PolarHBondContact O-N 3.08Å; S338-H342 WeakPolarHBondContact O-CB 3.47Å; S338-H342 PolarHBondContact O-N 3.22Å; S338-H342 VanDerWaalsContact O-N 3.11Å |
| 339 | A | 90.1 | Very high | 89.3 | Confident | 19 Ų | 19 | 56.1 Ų | 56.1 | 16% | 0.157 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -68.7 | -39.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | G330 D333 R336 L337 H342 | G330-A339 WeakPolarHBondContact O-CA 2.95Å; D333-A339 WeakPolarHBondContact O-CB 3.36Å; R336-A339 PolarHBondContact O-N 3Å; L337-A339 VanDerWaalsContact C-N 3.31Å; L337-A339 PolarHBondContact O-N 3.21Å; A339-H342 PolarHBondContact O-N 2.86Å |
| 340 | Q | 89.5 | Confident | 89.4 | Confident | 59 Ų | 59 | 57.5 Ų | 57.5 | 28% | 0.276 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -68 | -35 | 177 | -61.2 | 174.5 | -42.4 | 0 | 0 | 112.3 | R336 L337 C343 I450 I453 | R336-Q340 PolarHBondContact O-N 2.91Å; L337-Q340 PolarHBondContact O-N 2.82Å; L337-Q340 VanDerWaalsContact O-N 3.09Å; Q340-C343 PolarHBondContact O-SG 3.21Å; Q340-C343 VanDerWaalsContact O-SG 3.41Å; Q340-I450 WeakPolarHBondContact O-CD1 3.49Å; Q340-I453 HydrophobicContact CB-CD1 4.29Å; Q340-I453 HydrophobicContact CB-CG1 4.49Å; Q340-I453 HydrophobicContact CB-CG2 3.9Å |
| 341 | L | 92.7 | Very high | 89.7 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -73.3 | -29.4 | 177 | -67.4 | 176 | 0 | 0 | 0 | 112.8 | L305 Y314 L337 S338 C343 G344 F345 I453 M454 | L305-L341 HydrophobicContact CD1-CD1 3.7Å; Y314-L341 HydrophobicContact CE1-CD1 4.46Å; L337-L341 HydrophobicContact CD1-CD1 4.14Å; L337-L341 HydrophobicContact CD1-CD2 4.17Å; L337-L341 HydrophobicContact CD1-CG 3.93Å; L337-L341 HydrophobicContact CD2-CD1 4.01Å; L337-L341 HydrophobicContact CG-CD1 3.63Å; L337-L341 HydrophobicContact CG-CG 3.88Å; L337-L341 VanDerWaalsContact O-CG 3.26Å; L337-L341 WeakPolarHBondContact O-CG 3.12Å; L337-L341 PolarHBondContact O-N 3.12Å; S338-L341 PolarHBondContact O-N 3.08Å; L341-C343 VanDerWaalsContact C-N 3.29Å; L341-C343 PolarHBondContact O-N 2.81Å; L341-G344 PolarHBondContact O-N 2.76Å; L341-F345 HydrophobicContact CB-CE2 4.34Å; L341-F345 WeakPolarHBondContact O-CD2 3.36Å; L341-I453 HydrophobicContact CD2-CG2 3.7Å; L341-I453 HydrophobicContact CG-CG2 4.3Å; L341-M454 HydrophobicContact CD2-CB 3.55Å; L341-M454 HydrophobicContact CD2-CE 4.47Å; L341-M454 HydrophobicContact CD2-CG 3.92Å; L341-M454 HydrophobicContact CD2-SD 3.61Å |
| 342 | H | 94 | Very high | 90.1 | Very high | 51 Ų | 51 | 55.8 Ų | 55.8 | 24% | 0.236 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -60.9 | -35.1 | -167.1 | -172.5 | 68.1 | 0 | 0 | 0 | 113.5 | N310 Y312 S338 A339 G344 | N310-H342 PolarHBondContact OD1-CE1 3.41Å; N310-H342 PolarHBondContact OD1-NE2 3.05Å; Y312-H342 HydrophobicContact CE2-CB 4.44Å; Y312-H342 AromaticContact CE2-ND1 3.77Å; Y312-H342 AromaticContact CZ-ND1 3.77Å; Y312-H342 VanDerWaalsContact OH-CA 3.31Å; Y312-H342 WeakPolarHBondContact OH-CA 3.35Å; Y312-H342 WeakPolarHBondContact OH-CB 3.45Å; Y312-H342 PolarHBondContact OH-ND1 2.89Å; S338-H342 WeakPolarHBondContact O-CB 3.47Å; S338-H342 PolarHBondContact O-N 3.22Å; S338-H342 VanDerWaalsContact O-N 3.11Å; A339-H342 PolarHBondContact O-N 2.86Å; H342-G344 VanDerWaalsContact C-N 3.26Å; H342-G344 PolarHBondContact O-N 3.33Å |
| 343 | C | 91.1 | Very high | 90.7 | Very high | 103 Ų | 103 | 46.9 Ų | 46.9 | 70% | 0.696 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.2 | -12 | 176.9 | 62.5 | 0 | 0 | 0 | 0 | 114.3 | Q340 L341 | Q340-C343 PolarHBondContact O-SG 3.21Å; Q340-C343 VanDerWaalsContact O-SG 3.41Å; L341-C343 VanDerWaalsContact C-N 3.29Å; L341-C343 PolarHBondContact O-N 2.81Å |
| 344 | G | 91.6 | Very high | 91.6 | Very high | 10 Ų | 10 | 44.7 Ų | 44.7 | 10% | 0.103 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | -14.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | L341 H342 F423 | L341-G344 PolarHBondContact O-N 2.76Å; H342-G344 VanDerWaalsContact C-N 3.26Å; H342-G344 PolarHBondContact O-N 3.33Å; G344-F423 WeakPolarHBondContact O-CD1 3.49Å |
| 345 | F | 95.3 | Very high | 92.8 | Very high | 20 Ų | 20 | 36.9 Ų | 36.9 | 9% | 0.088 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -84.2 | 142.5 | 179.6 | -67.4 | -89.4 | 0 | 0 | 0 | 111.6 | L305 K307 Y312 L341 V349 L354 V422 F423 | L305-F345 HydrophobicContact CD2-CZ 4.37Å; K307-F345 HydrophobicContact CD-CD1 4.06Å; K307-F345 HydrophobicContact CD-CD2 4.06Å; K307-F345 HydrophobicContact CD-CE1 3.98Å; K307-F345 HydrophobicContact CD-CE2 3.99Å; K307-F345 HydrophobicContact CD-CG 4.1Å; K307-F345 HydrophobicContact CD-CZ 3.95Å; Y312-F345 AromaticContact CE1-CE2 3.94Å; Y312-F345 HydrophobicContact CE1-CE2 3.94Å; Y312-F345 HydrophobicContact CE1-CZ 4.3Å; L341-F345 HydrophobicContact CB-CE2 4.34Å; L341-F345 WeakPolarHBondContact O-CD2 3.36Å; F345-V349 HydrophobicContact CD1-CG1 4.09Å; F345-L354 HydrophobicContact CE1-CD1 3.87Å; F345-L354 HydrophobicContact CZ-CD1 4.02Å; F345-V422 HydrophobicContact CD1-CG1 3.97Å; F345-V422 HydrophobicContact CE1-CG1 4.31Å; F345-F423 AromaticContact CD1-CE1 3.96Å; F345-F423 HydrophobicContact CD1-CE1 3.96Å; F345-F423 AromaticContact CE1-CE1 3.84Å; F345-F423 HydrophobicContact CE1-CE1 3.84Å; F345-F423 HydrophobicContact CE1-CZ 4.34Å; F345-F423 HydrophobicContact CZ-CE1 4.31Å |
| 346 | A | 94.7 | Very high | 93.9 | Very high | 4 Ų | 4 | 33.1 Ų | 33.1 | 3% | 0.033 | 18% | 0.175 | C | C | . | . | trans | -63.5 | 148.2 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | H348 V349 E421 V422 N424 | A346-H348 VanDerWaalsContact CB-CE1 3.47Å; A346-H348 WeakPolarHBondContact CB-CE1 3.38Å; A346-H348 PolarHBondContact O-N 2.67Å; A346-H348 VanDerWaalsContact O-N 3.08Å; A346-V349 HydrophobicContact CB-CG2 4.08Å; A346-V349 WeakPolarHBondContact O-CB 3.23Å; A346-V349 PolarHBondContact O-N 2.85Å; A346-E421 WeakPolarHBondContact CB-O 3.44Å; A346-V422 WeakPolarHBondContact CB-O 3.31Å; A346-V422 PolarHBondContact N-O 3.43Å; A346-N424 WeakPolarHBondContact CB-ND2 3.39Å; A346-N424 WeakPolarHBondContact CB-OD1 3.24Å | ||
| 347 | Q | 92.6 | Very high | 94.5 | Very high | 199 Ų | 199 | 32.2 Ų | 32.2 | 93% | 0.93 | 17% | 0.173 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -28.3 | -173.4 | -170.3 | 177.8 | 10.3 | 0 | 0 | 113.9 | V349 | Q347-V349 VanDerWaalsContact C-N 3.29Å; Q347-V349 PolarHBondContact O-N 2.96Å |
| 348 | H | 94.2 | Very high | 94.7 | Very high | 90 Ų | 90 | 32.3 Ų | 32.3 | 42% | 0.417 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | -9.8 | 179.1 | 69.9 | -91 | 0 | 0 | 0 | 113.5 | A346 T350 N403 E421 | A346-H348 VanDerWaalsContact CB-CE1 3.47Å; A346-H348 WeakPolarHBondContact CB-CE1 3.38Å; A346-H348 PolarHBondContact O-N 2.67Å; A346-H348 VanDerWaalsContact O-N 3.08Å; H348-T350 PolarHBondContact O-N 2.71Å; H348-N403 PolarHBondContact O-ND2 3.32Å; H348-E421 PolarHBondContact CE1-O 2.82Å; H348-E421 VanDerWaalsContact CE1-O 3.27Å |
| 349 | V | 95.6 | Very high | 94.7 | Very high | 6 Ų | 6 | 32.7 Ų | 32.7 | 4% | 0.036 | 18% | 0.175 | C | C | . | . | trans | -86.2 | 92.1 | -175.4 | -176.3 | 0 | 0 | 0 | 0 | 110.2 | K307 F345 A346 Q347 C352 L402 V422 | K307-V349 PolarHBondContact NZ-O 3Å; F345-V349 HydrophobicContact CD1-CG1 4.09Å; A346-V349 HydrophobicContact CB-CG2 4.08Å; A346-V349 WeakPolarHBondContact O-CB 3.23Å; A346-V349 PolarHBondContact O-N 2.85Å; Q347-V349 VanDerWaalsContact C-N 3.29Å; Q347-V349 PolarHBondContact O-N 2.96Å; V349-C352 HydrophobicContact CG1-CB 4.16Å; V349-L402 HydrophobicContact CG1-CD1 3.97Å; V349-L402 HydrophobicContact CG2-CD1 4.29Å; V349-V422 HydrophobicContact CG1-CG1 4.42Å; V349-V422 HydrophobicContact CG2-CB 4.26Å; V349-V422 HydrophobicContact CG2-CG1 4.2Å; V349-V422 HydrophobicContact CG2-CG2 4.07Å | ||
| 350 | T | 95.7 | Very high | 94.7 | Very high | 63 Ų | 63 | 32 Ų | 32 | 39% | 0.387 | 17% | 0.168 | S | C | . | . | trans | -77.7 | -53.3 | 173.9 | 60.3 | 0 | 0 | 0 | 0 | 110 | K307 S309 H348 N403 | K307-T350 PolarHBondContact NZ-O 2.93Å; K307-T350 VanDerWaalsContact NZ-O 3.11Å; S309-T350 PolarHBondContact N-O 3.46Å; H348-T350 PolarHBondContact O-N 2.71Å; T350-N403 PolarHBondContact N-OD1 3.19Å; T350-N403 PolarHBondContact OG1-OD1 3.07Å | ||
| 351 | D | 97.1 | Very high | 94.6 | Very high | 25 Ų | 25 | 29.6 Ų | 29.6 | 13% | 0.134 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 132.5 | -171.3 | -50.4 | -62.4 | 0 | 0 | 0 | 111.1 | L253 K307 S308 Y401 L402 N403 | L253-D351 HydrophobicContact CD2-CB 3.95Å; K307-D351 CarbonylContact O-C 3.55Å; K307-D351 VanDerWaalsContact O-CA 3.25Å; K307-D351 WeakPolarHBondContact O-CA 3.47Å; S308-D351 WeakPolarHBondContact CA-OD1 3.32Å; S308-D351 VanDerWaalsContact CB-OD1 3.27Å; S308-D351 WeakPolarHBondContact CB-OD1 3.49Å; S308-D351 PolarHBondContact OG-OD1 3.42Å; D351-Y401 HydrophobicContact CB-CD1 4.39Å; D351-Y401 HydrophobicContact CB-CE1 3.81Å; D351-L402 CarbonylContact O-C 3.5Å; D351-L402 WeakPolarHBondContact O-CA 3.19Å; D351-N403 PolarHBondContact N-OD1 3.25Å; D351-N403 VanDerWaalsContact N-OD1 3.11Å; D351-N403 PolarHBondContact O-N 3.43Å; D351-N403 PolarHBondContact O-OD1 3Å |
| 352 | C | 97.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 160 | 172.5 | 68 | 0 | 0 | 0 | 0 | 113.6 | H306 K307 V349 Y401 L402 | H306-C352 WeakPolarHBondContact CA-O 3.4Å; K307-C352 PolarHBondContact N-O 3.03Å; K307-C352 PolarHBondContact O-N 2.89Å; V349-C352 HydrophobicContact CG1-CB 4.16Å; C352-Y401 CarbonylContact C-O 3.56Å; C352-Y401 WeakPolarHBondContact CA-O 3.27Å; C352-Y401 WeakPolarHBondContact CB-O 3.46Å; C352-L402 HydrophobicContact CB-CD1 4.4Å |
| 353 | I | 98.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 116.8 | 168.2 | -62.4 | 173.9 | 0 | 0 | 0 | 108 | V251 L253 F257 L305 H306 I399 L400 Y401 | V251-I353 HydrophobicContact CG1-CD1 3.74Å; L253-I353 HydrophobicContact CD1-CD1 4.31Å; L253-I353 HydrophobicContact CD1-CG1 3.78Å; F257-I353 HydrophobicContact CE1-CG2 3.81Å; F257-I353 HydrophobicContact CZ-CG2 4.23Å; L305-I353 CarbonylContact O-C 3.54Å; L305-I353 WeakPolarHBondContact O-CA 3.25Å; H306-I353 HydrophobicContact CB-CG1 4.47Å; I353-I399 WeakPolarHBondContact O-CA 3.34Å; I353-L400 HydrophobicContact CB-CB 4.38Å; I353-L400 HydrophobicContact CG2-CB 4.2Å; I353-L400 PolarHBondContact O-N 2.87Å; I353-Y401 HydrophobicContact CD1-CG 4.21Å; I353-Y401 HydrophobicContact CG1-CG 4.33Å; I353-Y401 PolarHBondContact N-O 2.61Å |
| 354 | L | 98.2 | Very high | 93.3 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 140.2 | 178.2 | -57.3 | 179.4 | 0 | 0 | 0 | 110.5 | Q304 L305 F345 F394 V396 I399 L419 F423 | Q304-L354 WeakPolarHBondContact CA-O 3.04Å; L305-L354 HydrophobicContact CB-CB 4.35Å; L305-L354 HydrophobicContact CD2-CD1 4.3Å; L305-L354 PolarHBondContact N-O 3.32Å; L305-L354 PolarHBondContact O-N 2.82Å; F345-L354 HydrophobicContact CE1-CD1 3.87Å; F345-L354 HydrophobicContact CZ-CD1 4.02Å; L354-F394 HydrophobicContact CB-CE1 4.2Å; L354-F394 HydrophobicContact CB-CZ 4.46Å; L354-F394 HydrophobicContact CD1-CE1 4.35Å; L354-V396 HydrophobicContact CB-CG1 4.2Å; L354-V396 HydrophobicContact CD1-CG1 4.42Å; L354-V396 HydrophobicContact CD1-CG2 4.06Å; L354-V396 HydrophobicContact CD2-CG1 4.14Å; L354-V396 HydrophobicContact CG-CG1 4.5Å; L354-I399 HydrophobicContact CD2-CB 4.07Å; L354-I399 HydrophobicContact CD2-CD1 4.11Å; L354-I399 HydrophobicContact CD2-CG1 3.91Å; L354-L419 HydrophobicContact CD2-CD2 4.06Å; L354-F423 HydrophobicContact CD1-CE1 4.5Å; L354-F423 HydrophobicContact CD1-CZ 3.72Å |
| 355 | D | 98.2 | Very high | 92.8 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 124.4 | 172 | -161.4 | 6.7 | 0 | 0 | 0 | 108.2 | R302 F397 D398 Y495 | R302-D355 WeakPolarHBondContact CD-OD1 3.27Å; R302-D355 IonicContact CZ-OD1 3.43Å; R302-D355 IonicContact CZ-OD2 3.74Å; R302-D355 IonicContact NE-OD1 2.84Å; R302-D355 PolarHBondContact NE-OD1 2.93Å; R302-D355 IonicContact NE-OD2 3.73Å; R302-D355 IonicContact NH2-OD1 2.71Å; R302-D355 PolarHBondContact NH2-OD1 3.03Å; R302-D355 IonicContact NH2-OD2 3.31Å; R302-D355 PolarHBondContact NH2-OD2 2.87Å; D355-F397 VanDerWaalsContact C-CE2 3.49Å; D355-F397 HydrophobicContact CB-CE2 3.69Å; D355-F397 HydrophobicContact CB-CZ 4.05Å; D355-F397 VanDerWaalsContact O-CE2 3.23Å; D355-F397 WeakPolarHBondContact O-CE2 3.29Å; D355-F397 VanDerWaalsContact O-CZ 3.29Å; D355-F397 WeakPolarHBondContact O-CZ 3.39Å; D355-F397 PolarHBondContact O-N 3.25Å; D355-D398 HydrophobicContact CB-CB 4.12Å; D355-D398 PolarHBondContact N-O 3.39Å; D355-D398 PolarHBondContact O-N 2.95Å; D355-D398 VanDerWaalsContact O-N 3.12Å; D355-Y495 WeakPolarHBondContact OD2-CE2 3.49Å; D355-Y495 PolarHBondContact OD2-OH 3.19Å |
| 356 | G | 97.5 | Very high | 92.4 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 175.2 | -172.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | R302 V303 F394 I395 | R302-G356 VanDerWaalsContact CD-O 3.25Å; R302-G356 WeakPolarHBondContact CD-O 3.06Å; V303-G356 PolarHBondContact N-O 2.83Å; V303-G356 PolarHBondContact O-N 3.39Å; V303-G356 VanDerWaalsContact O-O 3.09Å; G356-F394 VanDerWaalsContact CA-CE2 3.41Å; G356-I395 CarbonylContact C-O 3.59Å; G356-I395 WeakPolarHBondContact CA-O 3.44Å |
| 357 | E | 96.9 | Very high | 92 | Very high | 28 Ų | 28 | 42 Ų | 42 | 13% | 0.131 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 122.6 | 175.1 | -154.6 | 74.8 | -167.1 | 0 | 0 | 108.5 | F298 E301 R302 M359 I395 F397 | F298-E357 HydrophobicContact CB-CB 4.29Å; F298-E357 HydrophobicContact CB-CG 4.18Å; E301-E357 VanDerWaalsContact C-OE1 3.29Å; E301-E357 WeakPolarHBondContact CA-OE1 3.45Å; E301-E357 PolarHBondContact N-OE1 3.21Å; R302-E357 WeakPolarHBondContact CA-OE2 3.47Å; R302-E357 VanDerWaalsContact N-CD 3.26Å; R302-E357 PolarHBondContact N-OE1 2.87Å; R302-E357 PolarHBondContact N-OE2 3.13Å; E357-M359 HydrophobicContact CG-SD 4.06Å; E357-M359 PolarHBondContact O-N 3.06Å; E357-I395 PolarHBondContact N-O 2.9Å; E357-I395 PolarHBondContact O-N 3.38Å; E357-F397 HydrophobicContact CB-CE1 4.33Å |
| 358 | M | 95.1 | Very high | 91.7 | Very high | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.005 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 116.9 | 172.2 | -165.9 | 64.9 | 67.3 | 0 | 0 | 109.1 | G300 E301 V303 Y326 L337 V377 P392 F394 | G300-M358 CarbonylContact C-O 3.51Å; G300-M358 WeakPolarHBondContact CA-O 3.4Å; E301-M358 PolarHBondContact N-O 3.14Å; E301-M358 WeakPolarHBondContact O-CB 3.38Å; E301-M358 PolarHBondContact O-N 2.97Å; V303-M358 HydrophobicContact CG1-CE 4.4Å; V303-M358 HydrophobicContact CG2-CB 3.89Å; V303-M358 HydrophobicContact CG2-CE 4.46Å; Y326-M358 HydrophobicContact CD1-CE 4.3Å; Y326-M358 HydrophobicContact CE1-CE 3.94Å; Y326-M358 HydrophobicContact CE1-CG 4.27Å; Y326-M358 HydrophobicContact CE1-SD 4.34Å; Y326-M358 HydrophobicContact CE2-CE 4.33Å; L337-M358 HydrophobicContact CD2-CE 3.42Å; L337-M358 VanDerWaalsContact CD2-CE 3.42Å; L337-M358 HydrophobicContact CD2-SD 3.91Å; M358-V377 HydrophobicContact CG-CB 4.07Å; M358-V377 HydrophobicContact CG-CG1 4.41Å; M358-V377 HydrophobicContact CG-CG2 4.17Å; M358-P392 HydrophobicContact CG-CB 4.3Å; M358-P392 HydrophobicContact SD-CB 3.74Å; M358-F394 HydrophobicContact CE-CB 4.06Å; M358-F394 HydrophobicContact CE-CD2 3.87Å; M358-F394 HydrophobicContact CE-CG 4.21Å; M358-F394 HydrophobicContact SD-CB 4.09Å; M358-F394 HydrophobicContact SD-CD2 4.46Å |
| 359 | M | 92.5 | Very high | 91.1 | Very high | 9 Ų | 9 | 33.5 Ų | 33.5 | 4% | 0.044 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 174.6 | 178.7 | -58.7 | -58.9 | -70.9 | 0 | 0 | 110.6 | F298 G300 E357 I368 C393 I395 | F298-M359 HydrophobicContact CB-CE 4.18Å; F298-M359 HydrophobicContact CB-SD 3.78Å; G300-M359 WeakPolarHBondContact CA-SD 3.46Å; E357-M359 HydrophobicContact CG-SD 4.06Å; E357-M359 PolarHBondContact O-N 3.06Å; M359-I368 HydrophobicContact CB-CG2 3.68Å; M359-I368 HydrophobicContact CE-CG2 3.99Å; M359-I368 HydrophobicContact CG-CG2 4Å; M359-C393 WeakPolarHBondContact CA-O 3.3Å; M359-C393 HydrophobicContact CB-CB 4.43Å; M359-C393 PolarHBondContact N-O 3.08Å; M359-C393 PolarHBondContact O-N 3.12Å; M359-I395 HydrophobicContact CB-CD1 4.47Å; M359-I395 HydrophobicContact CG-CD1 3.52Å; M359-I395 HydrophobicContact CG-CG1 3.86Å |
| 360 | I | 89 | Confident | 90.2 | Very high | 4 Ų | 4 | 34.9 Ų | 34.9 | 2% | 0.021 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 132 | 172.9 | -58.1 | 170.4 | 0 | 0 | 0 | 106.6 | M369 T373 F375 V377 Y390 | I360-M369 HydrophobicContact CB-CB 4.18Å; I360-M369 HydrophobicContact CG2-CB 4.33Å; I360-M369 PolarHBondContact O-N 3.07Å; I360-T373 WeakPolarHBondContact CD1-OG1 3.37Å; I360-F375 HydrophobicContact CB-CD1 4.43Å; I360-F375 HydrophobicContact CD1-CB 4.3Å; I360-F375 HydrophobicContact CD1-CD1 3.87Å; I360-F375 WeakPolarHBondContact CD1-O 3.46Å; I360-F375 HydrophobicContact CG1-CD1 3.83Å; I360-F375 HydrophobicContact CG1-CE1 4.38Å; I360-F375 HydrophobicContact CG2-CD1 3.79Å; I360-F375 HydrophobicContact CG2-CE1 4.27Å; I360-F375 HydrophobicContact CG2-CG 4.49Å; I360-V377 HydrophobicContact CB-CG1 4.47Å; I360-V377 HydrophobicContact CD1-CG1 4.12Å; I360-V377 HydrophobicContact CG1-CG1 3.3Å; I360-Y390 HydrophobicContact CG2-CD1 3.75Å; I360-Y390 HydrophobicContact CG2-CG 4.18Å |
| 361 | F | 89.1 | Confident | 89.1 | Confident | 8 Ų | 8 | 36.1 Ų | 36.1 | 4% | 0.035 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 128.1 | 171.3 | -176.1 | -98.6 | 0 | 0 | 0 | 109.3 | K363 N366 S367 I368 Y390 Q391 C393 G452 | F361-K363 HydrophobicContact CD1-CG 4.49Å; F361-N366 VanDerWaalsContact CZ-OD1 3.31Å; F361-N366 WeakPolarHBondContact CZ-OD1 3.28Å; F361-S367 WeakPolarHBondContact CD2-O 3.39Å; F361-I368 HydrophobicContact CD2-CG1 4.06Å; F361-Y390 CarbonylContact O-C 3.59Å; F361-Y390 WeakPolarHBondContact O-CA 3.42Å; F361-Q391 HydrophobicContact CB-CG 4.02Å; F361-Q391 HydrophobicContact CD1-CG 4.2Å; F361-Q391 PolarHBondContact N-O 2.75Å; F361-Q391 PolarHBondContact O-N 3.27Å; F361-C393 HydrophobicContact CB-CB 3.74Å; F361-G452 WeakPolarHBondContact CB-O 3.09Å; F361-G452 VanDerWaalsContact CD1-CA 3.49Å; F361-G452 VanDerWaalsContact CG-CA 3.49Å |
| 362 | S | 86 | Confident | 87.3 | Confident | 4 Ų | 4 | 38.1 Ų | 38.1 | 3% | 0.028 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 116.6 | 172 | -179.2 | 0 | 0 | 0 | 0 | 108.3 | W364 S365 N366 S367 N389 | S362-W364 PolarHBondContact O-N 2.88Å; S362-S365 WeakPolarHBondContact CB-OG 3.49Å; S362-S365 PolarHBondContact OG-N 2.75Å; S362-S365 PolarHBondContact OG-OG 3.48Å; S362-N366 VanDerWaalsContact O-CA 3.27Å; S362-N366 WeakPolarHBondContact O-CA 3.48Å; S362-N366 PolarHBondContact O-N 2.8Å; S362-S367 PolarHBondContact N-O 3.34Å; S362-S367 PolarHBondContact O-N 2.75Å; S362-N389 CarbonylContact C-O 3.48Å; S362-N389 WeakPolarHBondContact CA-O 3.48Å |
| 363 | K | 84.4 | Confident | 85.8 | Confident | 96 Ų | 96 | 39.7 Ų | 39.7 | 42% | 0.417 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -28 | 173.2 | -61.7 | -178.2 | -170.6 | 155.1 | 0 | 111.5 | F361 D388 N389 | F361-K363 HydrophobicContact CD1-CG 4.49Å; K363-D388 WeakPolarHBondContact CD-O 3.34Å; K363-D388 WeakPolarHBondContact CE-O 3.34Å; K363-D388 PolarHBondContact NZ-O 3.38Å; K363-N389 PolarHBondContact N-O 3.46Å |
| 364 | W | 79.1 | Confident | 84.1 | Confident | 150 Ų | 150 | 48.8 Ų | 48.8 | 57% | 0.568 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.2 | -50.6 | -178.3 | -179.1 | 68.2 | 0 | 0 | 0 | 112.2 | S362 N366 D936 | S362-W364 PolarHBondContact O-N 2.88Å; W364-N366 VanDerWaalsContact C-N 3.33Å; W364-D936 HydrophobicContact CH2-CB 3.91Å; W364-D936 VanDerWaalsContact CH2-CG 3.48Å; W364-D936 WeakPolarHBondContact CH2-OD1 3.17Å; W364-D936 HydrophobicContact CZ2-CB 4.44Å; W364-D936 WeakPolarHBondContact CZ3-OD1 3.37Å |
| 365 | S | 82.2 | Confident | 82.7 | Confident | 54 Ų | 54 | 50 Ų | 50 | 38% | 0.378 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | -2.1 | 177.5 | 59.3 | 0 | 0 | 0 | 0 | 113.6 | S362 S367 | S362-S365 WeakPolarHBondContact CB-OG 3.49Å; S362-S365 PolarHBondContact OG-N 2.75Å; S362-S365 PolarHBondContact OG-OG 3.48Å; S365-S367 PolarHBondContact O-N 3.22Å; S365-S367 PolarHBondContact OG-OG 2.85Å |
| 366 | N | 85.8 | Confident | 81.6 | Confident | 103 Ų | 103 | 53 Ų | 53 | 55% | 0.551 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.2 | 43.3 | -176.1 | -169.4 | 42.3 | 0 | 0 | 0 | 112.4 | F361 S362 W364 N451 | F361-N366 VanDerWaalsContact CZ-OD1 3.31Å; F361-N366 WeakPolarHBondContact CZ-OD1 3.28Å; S362-N366 VanDerWaalsContact O-CA 3.27Å; S362-N366 WeakPolarHBondContact O-CA 3.48Å; S362-N366 PolarHBondContact O-N 2.8Å; W364-N366 VanDerWaalsContact C-N 3.33Å; N366-N451 PolarHBondContact OD1-ND2 3.31Å |
| 367 | S | 86.3 | Confident | 80.5 | Confident | 41 Ų | 41 | 53.4 Ų | 53.4 | 29% | 0.287 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 152.3 | -171.9 | 66.6 | 0 | 0 | 0 | 0 | 112.8 | F361 S362 S365 | F361-S367 WeakPolarHBondContact CD2-O 3.39Å; S362-S367 PolarHBondContact N-O 3.34Å; S362-S367 PolarHBondContact O-N 2.75Å; S365-S367 PolarHBondContact O-N 3.22Å; S365-S367 PolarHBondContact OG-OG 2.85Å |
| 368 | I | 87.7 | Confident | 79.4 | Confident | 52 Ų | 52 | 53.9 Ų | 53.9 | 27% | 0.267 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 122 | 174.4 | -58.4 | 172.2 | 0 | 0 | 0 | 108.1 | M359 F361 I395 P446 Y455 | M359-I368 HydrophobicContact CB-CG2 3.68Å; M359-I368 HydrophobicContact CE-CG2 3.99Å; M359-I368 HydrophobicContact CG-CG2 4Å; F361-I368 HydrophobicContact CD2-CG1 4.06Å; I368-I395 HydrophobicContact CD1-CD1 4.09Å; I368-I395 HydrophobicContact CG2-CD1 4.44Å; I368-P446 HydrophobicContact CD1-CG 3.66Å; I368-Y455 HydrophobicContact CD1-CD1 4.38Å; I368-Y455 HydrophobicContact CD1-CD2 4.24Å; I368-Y455 HydrophobicContact CD1-CE1 4.27Å; I368-Y455 HydrophobicContact CD1-CE2 4.12Å; I368-Y455 HydrophobicContact CD1-CG 4.39Å |
| 369 | M | 81 | Confident | 78 | Confident | 59 Ų | 59 | 62.3 Ų | 62.3 | 29% | 0.291 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 148.4 | -177.9 | -57.7 | -61.2 | -69.5 | 0 | 0 | 110.7 | I360 T373 | I360-M369 HydrophobicContact CB-CB 4.18Å; I360-M369 HydrophobicContact CG2-CB 4.33Å; I360-M369 PolarHBondContact O-N 3.07Å; M369-T373 HydrophobicContact CB-CG2 4.26Å; M369-T373 HydrophobicContact CE-CG2 4.4Å |
| 370 | S | 76.4 | Confident | 76.2 | Confident | 35 Ų | 35 | 64.6 Ų | 64.6 | 25% | 0.245 | 32% | 0.32 | C | S | . | . | P | Polyproline II helix | trans | -75.6 | 168.3 | 171.5 | 75.8 | 0 | 0 | 0 | 0 | 112 | S372 | S370-S372 PolarHBondContact O-N 2.83Å; S370-S372 PolarHBondContact OG-OG 3.46Å |
| 371 | K | 72.7 | Confident | 74.2 | Confident | 90 Ų | 90 | 65 Ų | 65 | 39% | 0.391 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -6.8 | 179.7 | -167 | 172.9 | -175.4 | 173.7 | 0 | 115.3 | D299 E301 T373 | D299-K371 WeakPolarHBondContact O-CB 3.45Å; D299-K371 PolarHBondContact O-N 2.92Å; D299-K371 VanDerWaalsContact O-N 3.08Å; E301-K371 HydrophobicContact CG-CD 4.25Å; E301-K371 VanDerWaalsContact CG-NZ 3.34Å; E301-K371 WeakPolarHBondContact OE1-CE 3.38Å; E301-K371 IonicContact OE1-NZ 3.61Å; E301-K371 PolarHBondContact OE1-NZ 2.84Å; K371-T373 PolarHBondContact O-N 2.96Å; K371-T373 VanDerWaalsContact O-N 3.14Å |
| 372 | S | 59.8 | Low | 72.6 | Confident | 67 Ų | 67 | 67.3 Ų | 67.3 | 47% | 0.469 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -3 | -177.6 | 58.1 | 0 | 0 | 0 | 0 | 114.4 | S370 | S370-S372 PolarHBondContact O-N 2.83Å; S370-S372 PolarHBondContact OG-OG 3.46Å |
| 373 | T | 64.9 | Low | 70.8 | Confident | 33 Ų | 33 | 75 Ų | 75 | 20% | 0.202 | 37% | 0.367 | C | S | . | . | S | Bend | trans | -75.6 | 158.5 | 173.9 | 69.5 | 0 | 0 | 0 | 0 | 111.7 | I360 M369 K371 F375 | I360-T373 WeakPolarHBondContact CD1-OG1 3.37Å; M369-T373 HydrophobicContact CB-CG2 4.26Å; M369-T373 HydrophobicContact CE-CG2 4.4Å; K371-T373 PolarHBondContact O-N 2.96Å; K371-T373 VanDerWaalsContact O-N 3.14Å; T373-F375 PolarHBondContact O-N 3.18Å; T373-F375 VanDerWaalsContact O-N 3.13Å |
| 374 | K | 64.4 | Low | 69.3 | Low | 191 Ų | 191 | 74.2 Ų | 74.2 | 83% | 0.83 | 37% | 0.368 | S | S | * | . | S | Bend | trans | -70.2 | -0.3 | 174.9 | -70 | 178.4 | 176.6 | 175.5 | 0 | 113 | D638 | K374-D638 IonicContact NZ-OD2 2.66Å; K374-D638 PolarHBondContact NZ-OD2 3.29Å |
| 375 | F | 68.4 | Low | 67.7 | Low | 24 Ų | 24 | 71.7 Ų | 71.7 | 11% | 0.105 | 37% | 0.37 | C | S | . | . | trans | -87.7 | 129 | -177.2 | 180 | -96.9 | 0 | 0 | 0 | 111.7 | I360 T373 V377 S381 I387 Y390 | I360-F375 HydrophobicContact CB-CD1 4.43Å; I360-F375 HydrophobicContact CD1-CB 4.3Å; I360-F375 HydrophobicContact CD1-CD1 3.87Å; I360-F375 WeakPolarHBondContact CD1-O 3.46Å; I360-F375 HydrophobicContact CG1-CD1 3.83Å; I360-F375 HydrophobicContact CG1-CE1 4.38Å; I360-F375 HydrophobicContact CG2-CD1 3.79Å; I360-F375 HydrophobicContact CG2-CE1 4.27Å; I360-F375 HydrophobicContact CG2-CG 4.49Å; T373-F375 PolarHBondContact O-N 3.18Å; T373-F375 VanDerWaalsContact O-N 3.13Å; F375-V377 HydrophobicContact CD1-CG1 4.33Å; F375-V377 HydrophobicContact CE1-CG1 4.15Å; F375-S381 VanDerWaalsContact CE2-CB 3.47Å; F375-S381 VanDerWaalsContact CZ-OG 3.28Å; F375-S381 WeakPolarHBondContact CZ-OG 3.48Å; F375-I387 HydrophobicContact CD2-CG2 3.52Å; F375-I387 HydrophobicContact CE2-CG2 3.36Å; F375-Y390 HydrophobicContact CB-CD2 4.41Å; F375-Y390 HydrophobicContact CB-CG 4.5Å; F375-Y390 HydrophobicContact CD2-CD2 4.45Å; F375-Y390 HydrophobicContact CD2-CG 4.48Å; F375-Y390 HydrophobicContact CG-CG 4.39Å | ||
| 376 | D | 74.1 | Confident | 66.1 | Low | 65 Ų | 65 | 77.5 Ų | 77.5 | 35% | 0.348 | 39% | 0.392 | S | S | . | . | trans | -100.7 | 108.2 | 176.6 | -177.5 | 1.8 | 0 | 0 | 0 | 109.4 | K378 R379 | D376-K378 PolarHBondContact O-N 2.99Å; D376-K378 WeakPolarHBondContact OD1-CB 3.48Å; D376-K378 PolarHBondContact OD1-N 3.45Å; D376-K378 VanDerWaalsContact OD1-N 3.13Å; D376-R379 HydrophobicContact CB-CG 4.06Å; D376-R379 PolarHBondContact O-N 3.41Å; D376-R379 IonicContact OD2-NE 3.67Å | ||
| 377 | V | 74.6 | Confident | 64.7 | Low | 8 Ų | 8 | 75.4 Ų | 75.4 | 5% | 0.048 | 38% | 0.38 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | -22.7 | 179 | -66 | 0 | 0 | 0 | 0 | 113.5 | E301 Y326 M358 I360 F375 | E301-V377 HydrophobicContact CB-CG2 4.47Å; E301-V377 HydrophobicContact CG-CG2 4.16Å; Y326-V377 WeakPolarHBondContact CE1-O 3.32Å; M358-V377 HydrophobicContact CG-CB 4.07Å; M358-V377 HydrophobicContact CG-CG1 4.41Å; M358-V377 HydrophobicContact CG-CG2 4.17Å; I360-V377 HydrophobicContact CB-CG1 4.47Å; I360-V377 HydrophobicContact CD1-CG1 4.12Å; I360-V377 HydrophobicContact CG1-CG1 3.3Å; F375-V377 HydrophobicContact CD1-CG1 4.33Å; F375-V377 HydrophobicContact CE1-CG1 4.15Å |
| 378 | K | 73.2 | Confident | 63.4 | Low | 37 Ų | 37 | 76.9 Ų | 76.9 | 16% | 0.161 | 39% | 0.385 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | -13.9 | 179.4 | -72.3 | 159.9 | 164.4 | 146.2 | 0 | 114.1 | E301 W322 S325 D376 | E301-K378 IonicContact OE1-NZ 3.65Å; E301-K378 PolarHBondContact OE1-NZ 2.83Å; E301-K378 VanDerWaalsContact OE2-CD 3.25Å; E301-K378 WeakPolarHBondContact OE2-CD 3.01Å; E301-K378 WeakPolarHBondContact OE2-CE 3.07Å; E301-K378 IonicContact OE2-NZ 2.83Å; E301-K378 PolarHBondContact OE2-NZ 3.09Å; W322-K378 HydrophobicContact CD2-CB 4.22Å; W322-K378 HydrophobicContact CD2-CD 4Å; W322-K378 HydrophobicContact CD2-CG 3.77Å; W322-K378 HydrophobicContact CE3-CB 3.71Å; W322-K378 HydrophobicContact CE3-CD 4.17Å; W322-K378 HydrophobicContact CE3-CG 3.81Å; W322-K378 HydrophobicContact CG-CG 4.35Å; W322-K378 HydrophobicContact CH2-CB 4.12Å; W322-K378 HydrophobicContact CH2-CD 3.69Å; W322-K378 HydrophobicContact CH2-CG 4.21Å; W322-K378 HydrophobicContact CZ2-CD 3.5Å; W322-K378 VanDerWaalsContact CZ2-CD 3.5Å; W322-K378 VanDerWaalsContact CZ2-CE 3.44Å; W322-K378 HydrophobicContact CZ2-CG 4.2Å; W322-K378 HydrophobicContact CZ3-CB 3.66Å; W322-K378 HydrophobicContact CZ3-CD 4.03Å; W322-K378 HydrophobicContact CZ3-CG 4.03Å; S325-K378 WeakPolarHBondContact CB-O 3.03Å; S325-K378 PolarHBondContact OG-O 2.74Å; D376-K378 PolarHBondContact O-N 2.99Å; D376-K378 WeakPolarHBondContact OD1-CB 3.48Å; D376-K378 PolarHBondContact OD1-N 3.45Å; D376-K378 VanDerWaalsContact OD1-N 3.13Å |
| 379 | R | 67.3 | Low | 62.9 | Low | 178 Ų | 178 | 78.4 Ų | 78.4 | 67% | 0.672 | 39% | 0.393 | S | S | * | . | S | Bend | trans | -80.4 | 134.1 | 176.5 | -72.2 | -175 | -176.4 | -168.3 | 0 | 109 | D376 S381 | D376-R379 HydrophobicContact CB-CG 4.06Å; D376-R379 PolarHBondContact O-N 3.41Å; D376-R379 IonicContact OD2-NE 3.67Å; R379-S381 PolarHBondContact O-N 3.29Å; R379-S381 PolarHBondContact O-OG 2.84Å; R379-S381 VanDerWaalsContact O-OG 3.07Å |
| 380 | S | 53.2 | Low | 62.9 | Low | 58 Ų | 58 | 79.4 Ų | 79.4 | 41% | 0.406 | 39% | 0.394 | S | S | . | . | trans | -61.3 | 89.3 | 166.8 | 54 | 0 | 0 | 0 | 0 | 108.5 | Y382 | S380-Y382 VanDerWaalsContact C-N 3.32Š| ||
| 381 | S | 48.6 | Very low | 63.3 | Low | 12 Ų | 12 | 78.5 Ų | 78.5 | 8% | 0.084 | 39% | 0.386 | C | S | . | . | trans | -87.1 | -1.9 | -167.4 | 22.6 | 0 | 0 | 0 | 0 | 113.3 | F375 R379 Q383 | F375-S381 VanDerWaalsContact CE2-CB 3.47Å; F375-S381 VanDerWaalsContact CZ-OG 3.28Å; F375-S381 WeakPolarHBondContact CZ-OG 3.48Å; R379-S381 PolarHBondContact O-N 3.29Å; R379-S381 PolarHBondContact O-OG 2.84Å; R379-S381 VanDerWaalsContact O-OG 3.07Å; S381-Q383 PolarHBondContact O-N 3.29Å | ||
| 382 | Y | 54.6 | Low | 64.1 | Low | 56 Ų | 56 | 74.3 Ų | 74.3 | 22% | 0.22 | 37% | 0.368 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | 13.6 | -174.8 | -53.6 | -74.2 | 0 | 0 | 0 | 115.5 | D335 L337 S380 | D335-Y382 HydrophobicContact CB-CG 4.48Å; D335-Y382 WeakPolarHBondContact O-CD1 3.26Å; D335-Y382 WeakPolarHBondContact O-CD2 3.36Å; D335-Y382 WeakPolarHBondContact O-CE1 3.46Å; D335-Y382 WeakPolarHBondContact O-CE2 3.46Å; L337-Y382 PolarHBondContact N-OH 3.05Å; S380-Y382 VanDerWaalsContact C-N 3.32Å |
| 383 | Q | 48.7 | Very low | 65.6 | Low | 166 Ų | 166 | 71.1 Ų | 71.1 | 78% | 0.776 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.4 | -5.3 | -175.7 | -69.5 | -173.8 | -12.2 | 0 | 0 | 114.5 | S381 | S381-Q383 PolarHBondContact O-N 3.29Š|
| 384 | N | 52.5 | Low | 67.1 | Low | 80 Ų | 80 | 69.6 Ų | 69.6 | 43% | 0.428 | 34% | 0.337 | S | S | . | . | trans | -126 | 111.5 | -174.7 | -153.2 | 4.6 | 0 | 0 | 0 | 111.5 | E386 I387 D388 | N384-E386 VanDerWaalsContact C-N 3.26Å; N384-E386 PolarHBondContact O-N 2.95Å; N384-I387 HydrophobicContact CB-CB 4.33Å; N384-I387 HydrophobicContact CB-CD1 3.97Å; N384-I387 HydrophobicContact CB-CG1 4.16Å; N384-I387 WeakPolarHBondContact O-CA 3.29Å; N384-I387 WeakPolarHBondContact O-CB 3.42Å; N384-I387 PolarHBondContact O-N 3.33Å; N384-D388 PolarHBondContact O-N 3.11Å | ||
| 385 | P | 45.2 | Very low | 68.7 | Low | 96 Ų | 96 | 60.5 Ų | 60.5 | 62% | 0.623 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -23.6 | -173 | 19.9 | -29.9 | 0 | 0 | 0 | 114.6 | I387 D388 | P385-I387 PolarHBondContact O-N 3.38Å; P385-D388 PolarHBondContact O-N 3.23Å |
| 386 | E | 48.4 | Very low | 70.1 | Confident | 176 Ų | 176 | 59.3 Ų | 59.3 | 82% | 0.822 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.7 | -16.1 | 172.3 | -66.6 | -174.5 | 172 | 0 | 0 | 113.1 | N384 | N384-E386 VanDerWaalsContact C-N 3.26Å; N384-E386 PolarHBondContact O-N 2.95Å |
| 387 | I | 57.2 | Low | 71.1 | Confident | 60 Ų | 60 | 56.7 Ų | 56.7 | 31% | 0.308 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100 | -10.7 | 179.2 | -59.1 | 179.3 | 0 | 0 | 0 | 111.1 | F375 N384 P385 N389 Y390 | F375-I387 HydrophobicContact CD2-CG2 3.52Å; F375-I387 HydrophobicContact CE2-CG2 3.36Å; N384-I387 HydrophobicContact CB-CB 4.33Å; N384-I387 HydrophobicContact CB-CD1 3.97Å; N384-I387 HydrophobicContact CB-CG1 4.16Å; N384-I387 WeakPolarHBondContact O-CA 3.29Å; N384-I387 WeakPolarHBondContact O-CB 3.42Å; N384-I387 PolarHBondContact O-N 3.33Å; P385-I387 PolarHBondContact O-N 3.38Å; I387-N389 PolarHBondContact O-N 2.86Å; I387-Y390 PolarHBondContact O-N 3.49Å |
| 388 | D | 59.3 | Low | 72.2 | Confident | 72 Ų | 72 | 56.3 Ų | 56.3 | 39% | 0.385 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -16.7 | -173.2 | -93.2 | -22.8 | 0 | 0 | 0 | 114.8 | K363 N384 P385 Y390 | K363-D388 WeakPolarHBondContact CD-O 3.34Å; K363-D388 WeakPolarHBondContact CE-O 3.34Å; K363-D388 PolarHBondContact NZ-O 3.38Å; N384-D388 PolarHBondContact O-N 3.11Å; P385-D388 PolarHBondContact O-N 3.23Å; D388-Y390 VanDerWaalsContact C-N 3.25Å; D388-Y390 PolarHBondContact O-N 3.28Å |
| 389 | N | 76.5 | Confident | 73.4 | Confident | 84 Ų | 84 | 54.6 Ų | 54.6 | 45% | 0.449 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | -14.6 | 175.2 | -71.7 | -22 | 0 | 0 | 0 | 113.5 | S362 K363 I387 | S362-N389 CarbonylContact C-O 3.48Å; S362-N389 WeakPolarHBondContact CA-O 3.48Å; K363-N389 PolarHBondContact N-O 3.46Å; I387-N389 PolarHBondContact O-N 2.86Å |
| 390 | Y | 81 | Confident | 74.8 | Confident | 79 Ų | 79 | 46.1 Ų | 46.1 | 31% | 0.31 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 145 | 178.1 | -60.1 | -68.3 | 0 | 0 | 0 | 111.9 | I360 F361 F375 I387 D388 | I360-Y390 HydrophobicContact CG2-CD1 3.75Å; I360-Y390 HydrophobicContact CG2-CG 4.18Å; F361-Y390 CarbonylContact O-C 3.59Å; F361-Y390 WeakPolarHBondContact O-CA 3.42Å; F375-Y390 HydrophobicContact CB-CD2 4.41Å; F375-Y390 HydrophobicContact CB-CG 4.5Å; F375-Y390 HydrophobicContact CD2-CD2 4.45Å; F375-Y390 HydrophobicContact CD2-CG 4.48Å; F375-Y390 HydrophobicContact CG-CG 4.39Å; I387-Y390 PolarHBondContact O-N 3.49Å; D388-Y390 VanDerWaalsContact C-N 3.25Å; D388-Y390 PolarHBondContact O-N 3.28Å |
| 391 | Q | 84.1 | Confident | 76.9 | Confident | 17 Ų | 17 | 45.1 Ų | 45.1 | 8% | 0.079 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 155.8 | 172.8 | 67.6 | -172.3 | 21.4 | 0 | 0 | 111.9 | F361 G452 I453 | F361-Q391 HydrophobicContact CB-CG 4.02Å; F361-Q391 HydrophobicContact CD1-CG 4.2Å; F361-Q391 PolarHBondContact N-O 2.75Å; F361-Q391 PolarHBondContact O-N 3.27Å; Q391-G452 VanDerWaalsContact NE2-C 3.32Å; Q391-G452 PolarHBondContact NE2-O 2.94Å; Q391-I453 HydrophobicContact CG-CD1 4.48Å |
| 392 | P | 90 | Very high | 79.3 | Confident | 2 Ų | 2 | 45.2 Ų | 45.2 | 1% | 0.013 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.6 | 137.9 | 170 | -19.1 | 32.5 | 0 | 0 | 0 | 111.5 | Y326 L337 M358 | Y326-P392 HydrophobicContact CE1-CB 4.22Å; Y326-P392 HydrophobicContact CE1-CG 4.35Å; L337-P392 HydrophobicContact CD2-CB 4.34Å; M358-P392 HydrophobicContact CG-CB 4.3Å; M358-P392 HydrophobicContact SD-CB 3.74Å |
| 393 | C | 92.2 | Very high | 81.2 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 119.1 | 178 | 163.7 | 0 | 0 | 0 | 0 | 109.9 | M359 F361 I453 Y455 | M359-C393 WeakPolarHBondContact CA-O 3.3Å; M359-C393 HydrophobicContact CB-CB 4.43Å; M359-C393 PolarHBondContact N-O 3.08Å; M359-C393 PolarHBondContact O-N 3.12Å; F361-C393 HydrophobicContact CB-CB 3.74Å; C393-I453 CarbonylContact C-O 3.49Å; C393-I453 WeakPolarHBondContact CA-O 3.44Å; C393-Y455 WeakPolarHBondContact SG-CD2 3.34Å; C393-Y455 WeakPolarHBondContact SG-CE2 3.25Å |
| 394 | F | 96 | Very high | 83.3 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 118.6 | -175.1 | -171.6 | -133.3 | 0 | 0 | 0 | 111.8 | V303 L305 L354 G356 M358 V396 I453 M454 Y455 | V303-F394 HydrophobicContact CB-CE2 4.07Å; V303-F394 HydrophobicContact CG1-CE2 4.24Å; L305-F394 HydrophobicContact CB-CE1 3.85Å; L305-F394 HydrophobicContact CB-CZ 3.97Å; L305-F394 HydrophobicContact CD1-CD1 4.09Å; L305-F394 HydrophobicContact CD1-CE1 3.87Å; L354-F394 HydrophobicContact CB-CE1 4.2Å; L354-F394 HydrophobicContact CB-CZ 4.46Å; L354-F394 HydrophobicContact CD1-CE1 4.35Å; G356-F394 VanDerWaalsContact CA-CE2 3.41Å; M358-F394 HydrophobicContact CE-CB 4.06Å; M358-F394 HydrophobicContact CE-CD2 3.87Å; M358-F394 HydrophobicContact CE-CG 4.21Å; M358-F394 HydrophobicContact SD-CB 4.09Å; M358-F394 HydrophobicContact SD-CD2 4.46Å; F394-V396 HydrophobicContact CD1-CG2 3.72Å; F394-V396 HydrophobicContact CE1-CG2 3.57Å; F394-V396 HydrophobicContact CZ-CG2 4.34Å; F394-I453 PolarHBondContact N-O 3.09Å; F394-M454 WeakPolarHBondContact O-CA 3.34Å; F394-Y455 PolarHBondContact O-N 3.07Å |
| 395 | I | 97.1 | Very high | 85.3 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 109 | 174.2 | -53.4 | -174.8 | 0 | 0 | 0 | 109.5 | F298 G356 E357 M359 I368 P446 Y455 | F298-I395 HydrophobicContact CD1-CD1 3.59Å; F298-I395 HydrophobicContact CD2-CD1 4.33Å; F298-I395 HydrophobicContact CD2-CG2 4.11Å; F298-I395 HydrophobicContact CE1-CD1 3.66Å; F298-I395 HydrophobicContact CE2-CD1 4.4Å; F298-I395 HydrophobicContact CE2-CG2 3.76Å; F298-I395 HydrophobicContact CG-CD1 3.94Å; F298-I395 HydrophobicContact CZ-CD1 4.08Å; F298-I395 HydrophobicContact CZ-CG2 4.04Å; G356-I395 CarbonylContact C-O 3.59Å; G356-I395 WeakPolarHBondContact CA-O 3.44Å; E357-I395 PolarHBondContact N-O 2.9Å; E357-I395 PolarHBondContact O-N 3.38Å; M359-I395 HydrophobicContact CB-CD1 4.47Å; M359-I395 HydrophobicContact CG-CD1 3.52Å; M359-I395 HydrophobicContact CG-CG1 3.86Å; I368-I395 HydrophobicContact CD1-CD1 4.09Å; I368-I395 HydrophobicContact CG2-CD1 4.44Å; I395-P446 HydrophobicContact CD1-CB 4.5Å; I395-P446 HydrophobicContact CD1-CG 4.26Å; I395-P446 HydrophobicContact CG2-CB 4.31Å; I395-Y455 CarbonylContact C-O 3.42Å; I395-Y455 WeakPolarHBondContact CA-O 3.25Å |
| 396 | V | 97.7 | Very high | 87.7 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 132.6 | 179.2 | -175 | 0 | 0 | 0 | 0 | 110.1 | L354 F394 L419 F423 Y455 V456 S457 | L354-V396 HydrophobicContact CB-CG1 4.2Å; L354-V396 HydrophobicContact CD1-CG1 4.42Å; L354-V396 HydrophobicContact CD1-CG2 4.06Å; L354-V396 HydrophobicContact CD2-CG1 4.14Å; L354-V396 HydrophobicContact CG-CG1 4.5Å; F394-V396 HydrophobicContact CD1-CG2 3.72Å; F394-V396 HydrophobicContact CE1-CG2 3.57Å; F394-V396 HydrophobicContact CZ-CG2 4.34Å; V396-L419 HydrophobicContact CG1-CD1 4.4Å; V396-L419 HydrophobicContact CG1-CD2 3.72Å; V396-F423 HydrophobicContact CB-CE2 4.46Å; V396-F423 HydrophobicContact CG1-CE2 4.4Å; V396-F423 HydrophobicContact CG2-CE2 4.29Å; V396-F423 HydrophobicContact CG2-CZ 4.12Å; V396-Y455 PolarHBondContact N-O 2.86Å; V396-V456 CarbonylContact O-C 3.42Å; V396-V456 WeakPolarHBondContact O-CA 3.4Å; V396-S457 PolarHBondContact O-N 3.3Å |
| 397 | F | 96.7 | Very high | 89.9 | Confident | 10 Ų | 10 | 31.4 Ų | 31.4 | 4% | 0.044 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | -7.9 | 172.7 | 56.6 | -108.3 | 0 | 0 | 0 | 113.7 | R302 D355 E357 K416 | R302-F397 VanDerWaalsContact NE-CZ 3.33Å; D355-F397 VanDerWaalsContact C-CE2 3.49Å; D355-F397 HydrophobicContact CB-CE2 3.69Å; D355-F397 HydrophobicContact CB-CZ 4.05Å; D355-F397 VanDerWaalsContact O-CE2 3.23Å; D355-F397 WeakPolarHBondContact O-CE2 3.29Å; D355-F397 VanDerWaalsContact O-CZ 3.29Å; D355-F397 WeakPolarHBondContact O-CZ 3.39Å; D355-F397 PolarHBondContact O-N 3.25Å; E357-F397 HydrophobicContact CB-CE1 4.33Å; F397-K416 WeakPolarHBondContact O-CE 3.12Å; F397-K416 PolarHBondContact O-NZ 2.94Å |
| 398 | D | 97.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 161.2 | 174.6 | -142.6 | -34 | 0 | 0 | 0 | 111.9 | D355 R415 W505 | D355-D398 HydrophobicContact CB-CB 4.12Å; D355-D398 PolarHBondContact N-O 3.39Å; D355-D398 PolarHBondContact O-N 2.95Å; D355-D398 VanDerWaalsContact O-N 3.12Å; D398-R415 IonicContact OD1-CZ 3.9Å; D398-R415 IonicContact OD1-NE 3.66Å; D398-R415 PolarHBondContact OD1-NE 3.12Å; D398-R415 IonicContact OD1-NH2 3.75Å; D398-R415 IonicContact OD2-CZ 2.69Å; D398-R415 IonicContact OD2-NE 3.58Å; D398-R415 IonicContact OD2-NH2 3.53Å; D398-R415 PolarHBondContact OD2-NH2 3.3Å; D398-W505 WeakPolarHBondContact OD2-CZ2 3.44Å |
| 399 | I | 97.7 | Very high | 93.2 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 131.4 | 176.3 | -175.4 | 173.3 | 0 | 0 | 0 | 109.8 | I353 L354 L402 L407 R415 L418 L419 V422 | I353-I399 WeakPolarHBondContact O-CA 3.34Å; L354-I399 HydrophobicContact CD2-CB 4.07Å; L354-I399 HydrophobicContact CD2-CD1 4.11Å; L354-I399 HydrophobicContact CD2-CG1 3.91Å; I399-L402 HydrophobicContact CD1-CB 4.22Å; I399-L407 HydrophobicContact CB-CD1 4.49Å; I399-L407 HydrophobicContact CD1-CD1 4.2Å; I399-L407 HydrophobicContact CG1-CD1 3.91Å; I399-L407 HydrophobicContact CG2-CD1 4.02Å; I399-R415 HydrophobicContact CG2-CB 4.01Å; I399-R415 WeakPolarHBondContact CG2-O 3.42Å; I399-R415 WeakPolarHBondContact O-CD 3.47Å; I399-L418 HydrophobicContact CG2-CB 4.3Å; I399-L419 HydrophobicContact CB-CD2 3.79Å; I399-L419 HydrophobicContact CB-CG 4.3Å; I399-L419 HydrophobicContact CG2-CD2 4.04Å; I399-L419 HydrophobicContact CG2-CG 3.99Å; I399-V422 HydrophobicContact CD1-CG2 3.73Å |
| 400 | L | 97.4 | Very high | 94 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | -16.2 | -173.3 | -55.5 | -174.9 | 0 | 0 | 0 | 114.1 | F257 I353 L406 L407 T408 Y495 | F257-L400 HydrophobicContact CD2-CD1 4.39Å; F257-L400 HydrophobicContact CE1-CD1 4.04Å; F257-L400 HydrophobicContact CE2-CD1 3.35Å; F257-L400 HydrophobicContact CZ-CD1 3.15Å; F257-L400 HydrophobicContact CZ-CG 4.46Å; I353-L400 HydrophobicContact CB-CB 4.38Å; I353-L400 HydrophobicContact CG2-CB 4.2Å; I353-L400 PolarHBondContact O-N 2.87Å; L400-L406 WeakPolarHBondContact O-CD1 3.1Å; L400-L407 WeakPolarHBondContact O-CB 3.34Å; L400-L407 PolarHBondContact O-N 2.98Å; L400-T408 HydrophobicContact CB-CG2 4.42Å; L400-T408 HydrophobicContact CD2-CG2 4.43Å; L400-Y495 HydrophobicContact CD1-CD1 3.89Å; L400-Y495 HydrophobicContact CD1-CD2 4.39Å; L400-Y495 HydrophobicContact CD1-CE1 3.67Å; L400-Y495 HydrophobicContact CD1-CE2 4.14Å; L400-Y495 HydrophobicContact CD1-CG 4.25Å; L400-Y495 HydrophobicContact CD2-CD1 3.85Å; L400-Y495 HydrophobicContact CD2-CD2 3.37Å; L400-Y495 HydrophobicContact CD2-CE1 4.29Å; L400-Y495 HydrophobicContact CD2-CE2 3.81Å; L400-Y495 HydrophobicContact CD2-CG 3.36Å; L400-Y495 HydrophobicContact CG-CD2 4.47Å; L400-Y495 HydrophobicContact CG-CE2 4.49Å; L400-Y495 HydrophobicContact CG-CG 4.47Å |
| 401 | Y | 97.6 | Very high | 94.6 | Very high | 37 Ų | 37 | 25.2 Ų | 25.2 | 15% | 0.145 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 139.7 | -179.1 | -175 | -87.6 | 0 | 0 | 0 | 109 | L253 D351 C352 I353 S404 Q405 L406 | L253-Y401 HydrophobicContact CD1-CD1 4.33Å; L253-Y401 HydrophobicContact CD1-CE1 4.44Å; L253-Y401 HydrophobicContact CD2-CE1 4.42Å; D351-Y401 HydrophobicContact CB-CD1 4.39Å; D351-Y401 HydrophobicContact CB-CE1 3.81Å; C352-Y401 CarbonylContact C-O 3.56Å; C352-Y401 WeakPolarHBondContact CA-O 3.27Å; C352-Y401 WeakPolarHBondContact CB-O 3.46Å; I353-Y401 HydrophobicContact CD1-CG 4.21Å; I353-Y401 HydrophobicContact CG1-CG 4.33Å; I353-Y401 PolarHBondContact N-O 2.61Å; Y401-S404 VanDerWaalsContact OH-CA 3.28Å; Y401-S404 WeakPolarHBondContact OH-CA 3.43Å; Y401-Q405 VanDerWaalsContact CA-O 3.31Å; Y401-Q405 WeakPolarHBondContact CA-O 3.36Å; Y401-L406 HydrophobicContact CD2-CD1 4.5Å |
| 402 | L | 97.5 | Very high | 95.1 | Very high | 14 Ų | 14 | 24.4 Ų | 24.4 | 7% | 0.073 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 121.4 | 176 | -179.6 | 60.8 | 0 | 0 | 0 | 109.1 | V349 D351 C352 I399 S404 Q405 L407 L418 V422 | V349-L402 HydrophobicContact CG1-CD1 3.97Å; V349-L402 HydrophobicContact CG2-CD1 4.29Å; D351-L402 CarbonylContact O-C 3.5Å; D351-L402 WeakPolarHBondContact O-CA 3.19Å; C352-L402 HydrophobicContact CB-CD1 4.4Å; I399-L402 HydrophobicContact CD1-CB 4.22Å; L402-S404 PolarHBondContact O-N 2.89Å; L402-Q405 PolarHBondContact N-O 3.05Å; L402-Q405 WeakPolarHBondContact O-CA 3.24Å; L402-Q405 VanDerWaalsContact O-CB 3.26Å; L402-Q405 WeakPolarHBondContact O-CB 3.3Å; L402-Q405 PolarHBondContact O-N 2.8Å; L402-L407 HydrophobicContact CB-CD1 4.06Å; L402-L418 HydrophobicContact CD2-CD2 4.35Å; L402-V422 HydrophobicContact CD1-CG2 3.73Å; L402-V422 HydrophobicContact CD2-CG2 4.04Å |
| 403 | N | 95.7 | Very high | 95.2 | Very high | 54 Ų | 54 | 25.8 Ų | 25.8 | 29% | 0.289 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 41.6 | 64.9 | 172.4 | -63.4 | -11.2 | 0 | 0 | 0 | 114.3 | H348 T350 D351 Q405 | H348-N403 PolarHBondContact O-ND2 3.32Å; T350-N403 PolarHBondContact N-OD1 3.19Å; T350-N403 PolarHBondContact OG1-OD1 3.07Å; D351-N403 PolarHBondContact N-OD1 3.25Å; D351-N403 VanDerWaalsContact N-OD1 3.11Å; D351-N403 PolarHBondContact O-N 3.43Å; D351-N403 PolarHBondContact O-OD1 3Å; N403-Q405 PolarHBondContact O-N 3.4Å; N403-Q405 VanDerWaalsContact O-N 3.16Å |
| 404 | S | 91.5 | Very high | 95.3 | Very high | 96 Ų | 96 | 30.6 Ų | 30.6 | 67% | 0.671 | 17% | 0.168 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 69.3 | -2.6 | -176.7 | -58 | 0 | 0 | 0 | 0 | 116.9 | Y401 L402 | Y401-S404 VanDerWaalsContact OH-CA 3.28Å; Y401-S404 WeakPolarHBondContact OH-CA 3.43Å; L402-S404 PolarHBondContact O-N 2.89Å |
| 405 | Q | 95 | Very high | 95.2 | Very high | 93 Ų | 93 | 30.6 Ų | 30.6 | 44% | 0.435 | 17% | 0.168 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 121.9 | 175.2 | -167.6 | 179.3 | 25.8 | 0 | 0 | 111.6 | Y401 L402 N403 L407 K410 | Y401-Q405 VanDerWaalsContact CA-O 3.31Å; Y401-Q405 WeakPolarHBondContact CA-O 3.36Å; L402-Q405 PolarHBondContact N-O 3.05Å; L402-Q405 WeakPolarHBondContact O-CA 3.24Å; L402-Q405 VanDerWaalsContact O-CB 3.26Å; L402-Q405 WeakPolarHBondContact O-CB 3.3Å; L402-Q405 PolarHBondContact O-N 2.8Å; N403-Q405 PolarHBondContact O-N 3.4Å; N403-Q405 VanDerWaalsContact O-N 3.16Å; Q405-L407 HydrophobicContact CB-CD2 4.34Å; Q405-L407 HydrophobicContact CG-CD2 3.86Å; Q405-K410 VanDerWaalsContact NE2-CE 3.27Å |
| 406 | L | 95.4 | Very high | 95 | Very high | 41 Ų | 41 | 30.7 Ų | 30.7 | 22% | 0.215 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 133 | 167.1 | -176.5 | 67.8 | 0 | 0 | 0 | 110.3 | D250 V251 L400 Y401 T408 | D250-L406 HydrophobicContact CB-CD2 3.68Å; V251-L406 HydrophobicContact CB-CD1 3.99Å; V251-L406 WeakPolarHBondContact O-CD1 3.26Å; L400-L406 WeakPolarHBondContact O-CD1 3.1Å; Y401-L406 HydrophobicContact CD2-CD1 4.5Å; L406-T408 HydrophobicContact CD1-CG2 3.96Å; L406-T408 HydrophobicContact CG-CG2 4.38Å |
| 407 | L | 95.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.183 | C | C | . | . | trans | -112.1 | -0.8 | -171.5 | -51.3 | 176.2 | 0 | 0 | 0 | 113.8 | I399 L400 L402 Q405 S409 K410 R415 L418 | I399-L407 HydrophobicContact CB-CD1 4.49Å; I399-L407 HydrophobicContact CD1-CD1 4.2Å; I399-L407 HydrophobicContact CG1-CD1 3.91Å; I399-L407 HydrophobicContact CG2-CD1 4.02Å; L400-L407 WeakPolarHBondContact O-CB 3.34Å; L400-L407 PolarHBondContact O-N 2.98Å; L402-L407 HydrophobicContact CB-CD1 4.06Å; Q405-L407 HydrophobicContact CB-CD2 4.34Å; Q405-L407 HydrophobicContact CG-CD2 3.86Å; L407-S409 PolarHBondContact O-N 3.11Å; L407-S409 VanDerWaalsContact O-N 3.11Å; L407-K410 HydrophobicContact CD2-CD 3.79Å; L407-K410 VanDerWaalsContact CD2-CE 3.48Å; L407-K410 WeakPolarHBondContact O-CB 3.48Å; L407-K410 PolarHBondContact O-N 3.27Å; L407-R415 HydrophobicContact CB-CG 4.31Å; L407-R415 VanDerWaalsContact O-CD 3.28Å; L407-R415 WeakPolarHBondContact O-CD 3.24Å; L407-L418 HydrophobicContact CD1-CD1 3.75Å; L407-L418 HydrophobicContact CD2-CD1 3.82Å; L407-L418 HydrophobicContact CG-CD1 4.39Å | ||
| 408 | T | 93.4 | Very high | 94.6 | Very high | 22 Ų | 22 | 34.3 Ų | 34.3 | 14% | 0.135 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -26.3 | -177.2 | 51.4 | 0 | 0 | 0 | 0 | 113.6 | V251 L400 L406 Y495 | V251-T408 HydrophobicContact CG2-CG2 4.23Å; L400-T408 HydrophobicContact CB-CG2 4.42Å; L400-T408 HydrophobicContact CD2-CG2 4.43Å; L406-T408 HydrophobicContact CD1-CG2 3.96Å; L406-T408 HydrophobicContact CG-CG2 4.38Å; T408-Y495 PolarHBondContact O-N 3.46Å |
| 409 | S | 91.9 | Very high | 94.4 | Very high | 87 Ų | 87 | 34.3 Ų | 34.3 | 61% | 0.608 | 19% | 0.186 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.8 | -14.5 | 175.8 | 59.7 | 0 | 0 | 0 | 0 | 114.5 | L407 L494 | L407-S409 PolarHBondContact O-N 3.11Å; L407-S409 VanDerWaalsContact O-N 3.11Å; S409-L494 WeakPolarHBondContact O-CD2 3.45Å |
| 410 | K | 94.1 | Very high | 93.8 | Very high | 46 Ų | 46 | 35.3 Ų | 35.3 | 20% | 0.2 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -75.1 | 150.4 | 174.7 | -64.2 | -167.6 | -174.5 | 174.8 | 0 | 109.9 | Q405 L407 Q414 R415 L418 | Q405-K410 VanDerWaalsContact NE2-CE 3.27Å; L407-K410 HydrophobicContact CD2-CD 3.79Å; L407-K410 VanDerWaalsContact CD2-CE 3.48Å; L407-K410 WeakPolarHBondContact O-CB 3.48Å; L407-K410 PolarHBondContact O-N 3.27Å; K410-Q414 HydrophobicContact CB-CB 4.13Å; K410-Q414 HydrophobicContact CD-CB 4.43Å; K410-R415 HydrophobicContact CB-CG 4.06Å; K410-R415 PolarHBondContact O-NH1 3.09Å; K410-L418 HydrophobicContact CD-CD1 4.02Å |
| 411 | S | 93.3 | Very high | 93.5 | Very high | 10 Ų | 10 | 40 Ų | 40 | 7% | 0.07 | 22% | 0.215 | C | C | . | . | trans | -62.6 | 155.3 | 172.7 | 63.8 | 0 | 0 | 0 | 0 | 111.6 | L413 Q414 R415 S493 | S411-L413 VanDerWaalsContact C-N 3.34Å; S411-L413 PolarHBondContact O-N 2.81Å; S411-Q414 WeakPolarHBondContact O-CB 3.33Å; S411-Q414 PolarHBondContact O-N 2.62Å; S411-Q414 VanDerWaalsContact O-N 3.13Å; S411-Q414 VanDerWaalsContact OG-CD 3.24Å; S411-Q414 VanDerWaalsContact OG-CG 3.25Å; S411-Q414 WeakPolarHBondContact OG-CG 3.21Å; S411-Q414 PolarHBondContact OG-N 2.77Å; S411-Q414 PolarHBondContact OG-OE1 2.96Å; S411-R415 WeakPolarHBondContact O-CG 3.4Å; S411-R415 PolarHBondContact O-N 3.47Å; S411-S493 WeakPolarHBondContact CA-OG 3.2Å; S411-S493 WeakPolarHBondContact CB-OG 3.41Å | ||
| 412 | L | 94.5 | Very high | 93.3 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -54.5 | -46.5 | 177.6 | 177.2 | 63.4 | 0 | 0 | 0 | 112.1 | L293 Q414 R415 K416 K487 S493 | L293-L412 HydrophobicContact CB-CD2 4.28Å; L293-L412 HydrophobicContact CD1-CD2 3.9Å; L293-L412 HydrophobicContact CD1-CG 4.19Å; L293-L412 HydrophobicContact CD2-CD2 4.29Å; L293-L412 HydrophobicContact CG-CD2 4.4Å; L412-Q414 VanDerWaalsContact C-N 3.33Å; L412-Q414 PolarHBondContact O-N 3.32Å; L412-R415 PolarHBondContact O-N 2.89Å; L412-R415 VanDerWaalsContact O-N 3.12Å; L412-K416 HydrophobicContact CD1-CG 4.23Å; L412-K416 HydrophobicContact CG-CG 4.36Å; L412-K416 WeakPolarHBondContact O-CG 3.49Å; L412-K416 PolarHBondContact O-N 3.15Å; L412-K487 HydrophobicContact CD2-CB 3.56Å; L412-K487 HydrophobicContact CD2-CD 3.56Å; L412-K487 HydrophobicContact CD2-CG 4.2Å; L412-S493 PolarHBondContact N-O 3.15Å; L412-S493 PolarHBondContact N-OG 2.72Å |
| 413 | L | 91.8 | Very high | 93.1 | Very high | 32 Ų | 32 | 38.1 Ų | 38.1 | 17% | 0.168 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -56.1 | -46.2 | 175.7 | -103.2 | 95.1 | 0 | 0 | 0 | 112.2 | S411 R415 K416 H417 T461 A489 | S411-L413 VanDerWaalsContact C-N 3.34Å; S411-L413 PolarHBondContact O-N 2.81Å; L413-R415 VanDerWaalsContact C-N 3.29Å; L413-R415 PolarHBondContact O-N 2.91Å; L413-K416 WeakPolarHBondContact O-CB 3.35Å; L413-K416 PolarHBondContact O-N 3.41Å; L413-K416 VanDerWaalsContact O-N 3.12Å; L413-H417 PolarHBondContact O-CD2 3.34Å; L413-H417 PolarHBondContact O-N 3.08Å; L413-T461 HydrophobicContact CD1-CG2 4.42Å; L413-A489 HydrophobicContact CD1-CB 3.31Å; L413-A489 VanDerWaalsContact CD1-O 3.29Å; L413-A489 WeakPolarHBondContact CD1-O 3.45Å; L413-A489 PolarHBondContact N-O 2.68Å |
| 414 | Q | 93.2 | Very high | 92.8 | Very high | 101 Ų | 101 | 41 Ų | 41 | 47% | 0.472 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -60.9 | -39.2 | 178 | -72.8 | 167.2 | -38.4 | 0 | 0 | 111.9 | K410 S411 L412 L418 | K410-Q414 HydrophobicContact CB-CB 4.13Å; K410-Q414 HydrophobicContact CD-CB 4.43Å; S411-Q414 WeakPolarHBondContact O-CB 3.33Å; S411-Q414 PolarHBondContact O-N 2.62Å; S411-Q414 VanDerWaalsContact O-N 3.13Å; S411-Q414 VanDerWaalsContact OG-CD 3.24Å; S411-Q414 VanDerWaalsContact OG-CG 3.25Å; S411-Q414 WeakPolarHBondContact OG-CG 3.21Å; S411-Q414 PolarHBondContact OG-N 2.77Å; S411-Q414 PolarHBondContact OG-OE1 2.96Å; L412-Q414 VanDerWaalsContact C-N 3.33Å; L412-Q414 PolarHBondContact O-N 3.32Å; Q414-L418 VanDerWaalsContact O-CG 3.32Å; Q414-L418 WeakPolarHBondContact O-CG 3.24Å; Q414-L418 PolarHBondContact O-N 3.22Å; Q414-L418 VanDerWaalsContact O-N 3.17Å |
| 415 | R | 95.3 | Very high | 92.4 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -67.1 | -38.2 | 175.2 | -60.4 | -170.4 | -43.6 | -97.7 | 4.8 | 111.5 | D398 I399 L407 K410 S411 L412 L413 L418 L419 S493 | D398-R415 IonicContact OD1-CZ 3.9Å; D398-R415 IonicContact OD1-NE 3.66Å; D398-R415 PolarHBondContact OD1-NE 3.12Å; D398-R415 IonicContact OD1-NH2 3.75Å; D398-R415 IonicContact OD2-CZ 2.69Å; D398-R415 IonicContact OD2-NE 3.58Å; D398-R415 IonicContact OD2-NH2 3.53Å; D398-R415 PolarHBondContact OD2-NH2 3.3Å; I399-R415 HydrophobicContact CG2-CB 4.01Å; I399-R415 WeakPolarHBondContact CG2-O 3.42Å; I399-R415 WeakPolarHBondContact O-CD 3.47Å; L407-R415 HydrophobicContact CB-CG 4.31Å; L407-R415 VanDerWaalsContact O-CD 3.28Å; L407-R415 WeakPolarHBondContact O-CD 3.24Å; K410-R415 HydrophobicContact CB-CG 4.06Å; K410-R415 PolarHBondContact O-NH1 3.09Å; S411-R415 WeakPolarHBondContact O-CG 3.4Å; S411-R415 PolarHBondContact O-N 3.47Å; L412-R415 PolarHBondContact O-N 2.89Å; L412-R415 VanDerWaalsContact O-N 3.12Å; L413-R415 VanDerWaalsContact C-N 3.29Å; L413-R415 PolarHBondContact O-N 2.91Å; R415-L418 PolarHBondContact O-N 3.35Å; R415-L419 PolarHBondContact O-N 3.18Å; R415-S493 PolarHBondContact NH1-O 2.74Å |
| 416 | K | 92.4 | Very high | 91.2 | Very high | 1 Ų | 1 | 39 Ų | 39 | 0% | 0.004 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -63 | -44 | 174.9 | -72.7 | -58 | -159 | 170 | 0 | 112.9 | L293 E295 F397 L412 L413 L418 L419 W459 | L293-K416 HydrophobicContact CD1-CG 4.22Å; E295-K416 WeakPolarHBondContact OE1-CE 3.4Å; E295-K416 IonicContact OE1-NZ 2.61Å; E295-K416 PolarHBondContact OE1-NZ 3.31Å; F397-K416 WeakPolarHBondContact O-CE 3.12Å; F397-K416 PolarHBondContact O-NZ 2.94Å; L412-K416 HydrophobicContact CD1-CG 4.23Å; L412-K416 HydrophobicContact CG-CG 4.36Å; L412-K416 WeakPolarHBondContact O-CG 3.49Å; L412-K416 PolarHBondContact O-N 3.15Å; L413-K416 WeakPolarHBondContact O-CB 3.35Å; L413-K416 PolarHBondContact O-N 3.41Å; L413-K416 VanDerWaalsContact O-N 3.12Å; K416-L418 VanDerWaalsContact C-N 3.31Å; K416-L418 PolarHBondContact O-N 3.42Å; K416-L419 HydrophobicContact CD-CD1 4.07Å; K416-L419 WeakPolarHBondContact O-CB 3.19Å; K416-L419 PolarHBondContact O-N 3.49Å; K416-L419 VanDerWaalsContact O-N 3.14Å; K416-W459 HydrophobicContact CB-CH2 3.79Å; K416-W459 HydrophobicContact CB-CZ2 3.61Å; K416-W459 HydrophobicContact CB-CZ3 4.42Å; K416-W459 HydrophobicContact CD-CD2 4.04Å; K416-W459 HydrophobicContact CD-CE3 3.75Å; K416-W459 HydrophobicContact CD-CH2 3.96Å; K416-W459 HydrophobicContact CD-CZ2 4.29Å; K416-W459 HydrophobicContact CD-CZ3 3.71Å; K416-W459 HydrophobicContact CG-CD2 4.28Å; K416-W459 HydrophobicContact CG-CE3 4.45Å; K416-W459 HydrophobicContact CG-CH2 4.3Å; K416-W459 HydrophobicContact CG-CZ2 4.19Å; K416-W459 HydrophobicContact CG-CZ3 4.47Å |
| 417 | H | 90.6 | Very high | 89.4 | Confident | 70 Ų | 70 | 40.7 Ų | 40.7 | 32% | 0.324 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -62.3 | -38.6 | 174.1 | -68.7 | -65.1 | 0 | 0 | 0 | 111.7 | L413 L419 S420 D431 | L413-H417 PolarHBondContact O-CD2 3.34Å; L413-H417 PolarHBondContact O-N 3.08Å; H417-L419 PolarHBondContact O-N 3.2Å; H417-S420 VanDerWaalsContact O-CB 3.29Å; H417-S420 WeakPolarHBondContact O-CB 3.47Å; H417-S420 PolarHBondContact O-N 3.2Å; H417-S420 PolarHBondContact O-OG 2.84Å; H417-D431 IonicContact CE1-OD1 2.7Å; H417-D431 IonicContact ND1-OD1 2.83Å |
| 418 | L | 94.2 | Very high | 87.4 | Confident | 17 Ų | 17 | 46.7 Ų | 46.7 | 9% | 0.089 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.6 | -24.8 | 175.9 | -68.1 | 166.4 | 0 | 0 | 0 | 113.5 | I399 L402 L407 K410 Q414 R415 K416 S420 E421 V422 | I399-L418 HydrophobicContact CG2-CB 4.3Å; L402-L418 HydrophobicContact CD2-CD2 4.35Å; L407-L418 HydrophobicContact CD1-CD1 3.75Å; L407-L418 HydrophobicContact CD2-CD1 3.82Å; L407-L418 HydrophobicContact CG-CD1 4.39Å; K410-L418 HydrophobicContact CD-CD1 4.02Å; Q414-L418 VanDerWaalsContact O-CG 3.32Å; Q414-L418 WeakPolarHBondContact O-CG 3.24Å; Q414-L418 PolarHBondContact O-N 3.22Å; Q414-L418 VanDerWaalsContact O-N 3.17Å; R415-L418 PolarHBondContact O-N 3.35Å; K416-L418 VanDerWaalsContact C-N 3.31Å; K416-L418 PolarHBondContact O-N 3.42Å; L418-S420 PolarHBondContact O-N 3.27Å; L418-E421 PolarHBondContact O-N 2.79Å; L418-V422 WeakPolarHBondContact O-CG2 3.34Å; L418-V422 PolarHBondContact O-N 2.98Å; L418-V422 VanDerWaalsContact O-N 3.08Å |
| 419 | L | 93.4 | Very high | 85.5 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -65.2 | -27 | 171.6 | -69.1 | 170.5 | 0 | 0 | 0 | 112 | L354 V396 I399 R415 K416 H417 F423 V456 | L354-L419 HydrophobicContact CD2-CD2 4.06Å; V396-L419 HydrophobicContact CG1-CD1 4.4Å; V396-L419 HydrophobicContact CG1-CD2 3.72Å; I399-L419 HydrophobicContact CB-CD2 3.79Å; I399-L419 HydrophobicContact CB-CG 4.3Å; I399-L419 HydrophobicContact CG2-CD2 4.04Å; I399-L419 HydrophobicContact CG2-CG 3.99Å; R415-L419 PolarHBondContact O-N 3.18Å; K416-L419 HydrophobicContact CD-CD1 4.07Å; K416-L419 WeakPolarHBondContact O-CB 3.19Å; K416-L419 PolarHBondContact O-N 3.49Å; K416-L419 VanDerWaalsContact O-N 3.14Å; H417-L419 PolarHBondContact O-N 3.2Å; L419-F423 HydrophobicContact CD2-CE2 4.02Å; L419-F423 WeakPolarHBondContact O-CD2 3.44Å; L419-F423 PolarHBondContact O-N 3.14Å; L419-V456 HydrophobicContact CD1-CG1 4.37Å |
| 420 | S | 86.5 | Confident | 83.7 | Confident | 20 Ų | 20 | 43.5 Ų | 43.5 | 14% | 0.14 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -66.1 | -45.3 | 175.4 | 79.1 | 0 | 0 | 0 | 0 | 111.2 | H417 L418 F423 N424 L425 | H417-S420 VanDerWaalsContact O-CB 3.29Å; H417-S420 WeakPolarHBondContact O-CB 3.47Å; H417-S420 PolarHBondContact O-N 3.2Å; H417-S420 PolarHBondContact O-OG 2.84Å; L418-S420 PolarHBondContact O-N 3.27Å; S420-F423 PolarHBondContact O-N 3.31Å; S420-N424 WeakPolarHBondContact O-CA 3.32Å; S420-N424 PolarHBondContact O-N 2.71Å; S420-L425 PolarHBondContact O-N 2.85Å |
| 421 | E | 90.2 | Very high | 81.5 | Confident | 100 Ų | 100 | 45.4 Ų | 45.4 | 47% | 0.467 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -63.5 | -44.5 | 178 | -62.5 | 175.5 | -159.3 | 0 | 0 | 110.8 | A346 H348 L418 F423 N424 | A346-E421 WeakPolarHBondContact CB-O 3.44Å; H348-E421 PolarHBondContact CE1-O 2.82Å; H348-E421 VanDerWaalsContact CE1-O 3.27Å; L418-E421 PolarHBondContact O-N 2.79Å; E421-F423 VanDerWaalsContact C-N 3.27Å; E421-F423 PolarHBondContact O-N 3.46Å; E421-N424 PolarHBondContact O-N 3.12Å |
| 422 | V | 94.5 | Very high | 79.4 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63 | -31.8 | -177.4 | 167.4 | 0 | 0 | 0 | 0 | 113.2 | F345 A346 V349 I399 L402 L418 | F345-V422 HydrophobicContact CD1-CG1 3.97Å; F345-V422 HydrophobicContact CE1-CG1 4.31Å; A346-V422 WeakPolarHBondContact CB-O 3.31Å; A346-V422 PolarHBondContact N-O 3.43Å; V349-V422 HydrophobicContact CG1-CG1 4.42Å; V349-V422 HydrophobicContact CG2-CB 4.26Å; V349-V422 HydrophobicContact CG2-CG1 4.2Å; V349-V422 HydrophobicContact CG2-CG2 4.07Å; I399-V422 HydrophobicContact CD1-CG2 3.73Å; L402-V422 HydrophobicContact CD1-CG2 3.73Å; L402-V422 HydrophobicContact CD2-CG2 4.04Å; L418-V422 WeakPolarHBondContact O-CG2 3.34Å; L418-V422 PolarHBondContact O-N 2.98Å; L418-V422 VanDerWaalsContact O-N 3.08Å |
| 423 | F | 93.6 | Very high | 77.3 | Confident | 10 Ų | 10 | 49.8 Ų | 49.8 | 4% | 0.044 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114.8 | 14 | -176.4 | -59.6 | -57.6 | 0 | 0 | 0 | 114.2 | G344 F345 L354 V396 L419 S420 E421 L425 I449 M454 V456 | G344-F423 WeakPolarHBondContact O-CD1 3.49Å; F345-F423 AromaticContact CD1-CE1 3.96Å; F345-F423 HydrophobicContact CD1-CE1 3.96Å; F345-F423 AromaticContact CE1-CE1 3.84Å; F345-F423 HydrophobicContact CE1-CE1 3.84Å; F345-F423 HydrophobicContact CE1-CZ 4.34Å; F345-F423 HydrophobicContact CZ-CE1 4.31Å; L354-F423 HydrophobicContact CD1-CE1 4.5Å; L354-F423 HydrophobicContact CD1-CZ 3.72Å; V396-F423 HydrophobicContact CB-CE2 4.46Å; V396-F423 HydrophobicContact CG1-CE2 4.4Å; V396-F423 HydrophobicContact CG2-CE2 4.29Å; V396-F423 HydrophobicContact CG2-CZ 4.12Å; L419-F423 HydrophobicContact CD2-CE2 4.02Å; L419-F423 WeakPolarHBondContact O-CD2 3.44Å; L419-F423 PolarHBondContact O-N 3.14Å; S420-F423 PolarHBondContact O-N 3.31Å; E421-F423 VanDerWaalsContact C-N 3.27Å; E421-F423 PolarHBondContact O-N 3.46Å; F423-L425 HydrophobicContact CB-CD1 4.38Å; F423-L425 HydrophobicContact CB-CG 4.15Å; F423-L425 PolarHBondContact O-N 3.36Å; F423-I449 HydrophobicContact CB-CD1 3.62Å; F423-I449 HydrophobicContact CB-CG1 4.09Å; F423-I449 HydrophobicContact CB-CG2 4.16Å; F423-I449 HydrophobicContact CD1-CG1 4.28Å; F423-I449 HydrophobicContact CD1-CG2 4.13Å; F423-I449 HydrophobicContact CD2-CD1 4.29Å; F423-I449 HydrophobicContact CD2-CG1 4.31Å; F423-I449 HydrophobicContact CG-CD1 4Å; F423-I449 HydrophobicContact CG-CG1 3.99Å; F423-I449 HydrophobicContact CG-CG2 4.37Å; F423-M454 HydrophobicContact CD1-CE 3.74Å; F423-M454 HydrophobicContact CE1-CE 3.41Å; F423-M454 VanDerWaalsContact CE1-CE 3.41Å; F423-M454 HydrophobicContact CE1-SD 3.67Å; F423-M454 HydrophobicContact CZ-CE 4.25Å; F423-M454 HydrophobicContact CZ-SD 3.96Å; F423-V456 HydrophobicContact CD2-CG2 3.58Å; F423-V456 HydrophobicContact CE2-CG2 3.77Å |
| 424 | N | 87.8 | Confident | 75.2 | Confident | 114 Ų | 114 | 50 Ų | 50 | 61% | 0.61 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.2 | 38.8 | -177.3 | -63.7 | -43.6 | 0 | 0 | 0 | 113.7 | A346 S420 E421 | A346-N424 WeakPolarHBondContact CB-ND2 3.39Å; A346-N424 WeakPolarHBondContact CB-OD1 3.24Å; S420-N424 WeakPolarHBondContact O-CA 3.32Å; S420-N424 PolarHBondContact O-N 2.71Å; E421-N424 PolarHBondContact O-N 3.12Å |
| 425 | L | 83.8 | Confident | 73.3 | Confident | 26 Ų | 26 | 49.2 Ų | 49.2 | 14% | 0.136 | 27% | 0.272 | C | S | . | . | trans | -77.3 | 130.1 | 177.6 | -71.8 | 174.6 | 0 | 0 | 0 | 109.4 | S420 F423 S427 L430 I447 I449 V456 | S420-L425 PolarHBondContact O-N 2.85Å; F423-L425 HydrophobicContact CB-CD1 4.38Å; F423-L425 HydrophobicContact CB-CG 4.15Å; F423-L425 PolarHBondContact O-N 3.36Å; L425-S427 PolarHBondContact O-N 3.42Å; L425-L430 HydrophobicContact CB-CD1 3.71Å; L425-L430 HydrophobicContact CB-CG 4.24Å; L425-L430 HydrophobicContact CD1-CD1 3.39Å; L425-L430 HydrophobicContact CD1-CD2 3.99Å; L425-L430 HydrophobicContact CD1-CG 3.86Å; L425-L430 HydrophobicContact CG-CD1 4.19Å; L425-I447 HydrophobicContact CD1-CG2 4.46Å; L425-I447 HydrophobicContact CD2-CG2 3.97Å; L425-I449 HydrophobicContact CD1-CD1 3.66Å; L425-I449 HydrophobicContact CD2-CD1 3.62Å; L425-I449 HydrophobicContact CG-CD1 3.8Å; L425-V456 HydrophobicContact CD1-CB 4.49Å; L425-V456 HydrophobicContact CD1-CG2 4.18Å | ||
| 426 | N | 70.5 | Confident | 71.3 | Confident | 122 Ų | 122 | 49.4 Ų | 49.4 | 65% | 0.652 | 27% | 0.273 | S | S | * | . | trans | -55.2 | 135.9 | 175.7 | -70.3 | -22.8 | 0 | 0 | 0 | 109.2 | T428 S429 | N426-T428 PolarHBondContact O-N 3.34Å; N426-S429 PolarHBondContact N-OG 3.09Å; N426-S429 WeakPolarHBondContact O-CB 3.19Å; N426-S429 PolarHBondContact O-N 2.81Å; N426-S429 PolarHBondContact O-OG 2.79Å | ||
| 427 | S | 56.1 | Low | 69.4 | Low | 76 Ų | 76 | 54.2 Ų | 54.2 | 53% | 0.531 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -49.6 | -38.2 | -178.1 | -55.5 | 0 | 0 | 0 | 0 | 112.3 | L425 S429 L430 D431 | L425-S427 PolarHBondContact O-N 3.42Å; S427-S429 PolarHBondContact O-N 3.35Å; S427-S429 VanDerWaalsContact O-N 3.11Å; S427-L430 PolarHBondContact O-N 3.47Å; S427-D431 WeakPolarHBondContact CB-OD2 3.3Å; S427-D431 WeakPolarHBondContact O-CB 3.42Å; S427-D431 PolarHBondContact O-N 3.4Å |
| 428 | T | 54.8 | Low | 67.6 | Low | 127 Ų | 127 | 53.3 Ų | 53.3 | 78% | 0.779 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -60 | -21.5 | 174.5 | 43.2 | 0 | 0 | 0 | 0 | 115.9 | N426 | N426-T428 PolarHBondContact O-N 3.34Å |
| 429 | S | 54.1 | Low | 65.6 | Low | 39 Ų | 39 | 61.2 Ų | 61.2 | 27% | 0.273 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -86.3 | -18.3 | -179.9 | 63.2 | 0 | 0 | 0 | 0 | 114 | N426 S427 I447 | N426-S429 PolarHBondContact N-OG 3.09Å; N426-S429 WeakPolarHBondContact O-CB 3.19Å; N426-S429 PolarHBondContact O-N 2.81Å; N426-S429 PolarHBondContact O-OG 2.79Å; S427-S429 PolarHBondContact O-N 3.35Å; S427-S429 VanDerWaalsContact O-N 3.11Å; S429-I447 VanDerWaalsContact O-CD1 3.26Å; S429-I447 WeakPolarHBondContact O-CD1 3.47Å |
| 430 | L | 53.7 | Low | 63.8 | Low | 2 Ų | 2 | 68.1 Ų | 68.1 | 1% | 0.01 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -124.1 | -14.2 | 178.6 | -67 | 170.9 | 0 | 0 | 0 | 114 | L425 S427 T432 I447 V456 W459 | L425-L430 HydrophobicContact CB-CD1 3.71Å; L425-L430 HydrophobicContact CB-CG 4.24Å; L425-L430 HydrophobicContact CD1-CD1 3.39Å; L425-L430 HydrophobicContact CD1-CD2 3.99Å; L425-L430 HydrophobicContact CD1-CG 3.86Å; L425-L430 HydrophobicContact CG-CD1 4.19Å; S427-L430 PolarHBondContact O-N 3.47Å; L430-T432 PolarHBondContact O-N 3.44Å; L430-I447 HydrophobicContact CD2-CD1 3.49Å; L430-I447 VanDerWaalsContact CD2-CD1 3.49Å; L430-I447 HydrophobicContact CG-CD1 4.42Å; L430-V456 HydrophobicContact CD2-CG1 4.28Å; L430-W459 HydrophobicContact CB-CH2 3.95Å; L430-W459 HydrophobicContact CB-CZ2 4.09Å; L430-W459 HydrophobicContact CD1-CH2 4.25Å; L430-W459 HydrophobicContact CD2-CH2 3.28Å; L430-W459 HydrophobicContact CD2-CZ2 4.14Å; L430-W459 HydrophobicContact CD2-CZ3 3.51Å; L430-W459 HydrophobicContact CG-CH2 4Å; L430-W459 WeakPolarHBondContact O-CZ2 3.42Å |
| 431 | D | 47.9 | Very low | 62.8 | Low | 86 Ų | 86 | 72.3 Ų | 72.3 | 46% | 0.46 | 40% | 0.404 | S | S | . | . | trans | -75.1 | 48.2 | 170 | -69.4 | -21.8 | 0 | 0 | 0 | 110.8 | H417 S427 D433 | H417-D431 IonicContact CE1-OD1 2.7Å; H417-D431 IonicContact ND1-OD1 2.83Å; S427-D431 WeakPolarHBondContact CB-OD2 3.3Å; S427-D431 WeakPolarHBondContact O-CB 3.42Å; S427-D431 PolarHBondContact O-N 3.4Å; D431-D433 PolarHBondContact O-N 3.13Å | ||
| 432 | T | 49.6 | Very low | 62.3 | Low | 18 Ų | 18 | 68.6 Ų | 68.6 | 11% | 0.11 | 39% | 0.387 | C | S | . | . | trans | -74.9 | 56.1 | 158.1 | 50.9 | 0 | 0 | 0 | 0 | 109.6 | L430 S434 W459 | L430-T432 PolarHBondContact O-N 3.44Å; T432-S434 VanDerWaalsContact CA-N 3.33Å; T432-S434 WeakPolarHBondContact CA-OG 3.2Å; T432-S434 WeakPolarHBondContact CB-OG 3.14Å; T432-S434 WeakPolarHBondContact CG2-OG 3.37Å; T432-S434 PolarHBondContact O-N 2.84Å; T432-W459 PolarHBondContact OG1-O 3.02Å | ||
| 433 | D | 48.6 | Very low | 61.8 | Low | 84 Ų | 84 | 71.2 Ų | 71.2 | 45% | 0.449 | 40% | 0.401 | S | S | . | . | trans | -71.9 | 17.2 | 139.1 | -102.3 | 9.4 | 0 | 0 | 0 | 109.6 | D431 F435 | D431-D433 PolarHBondContact O-N 3.13Å; D433-F435 VanDerWaalsContact O-CD2 3.3Å; D433-F435 WeakPolarHBondContact O-CD2 3.34Å; D433-F435 PolarHBondContact O-N 2.84Å | ||
| 434 | S | 49 | Very low | 61.6 | Low | 36 Ų | 36 | 71.1 Ų | 71.1 | 25% | 0.252 | 40% | 0.401 | S | S | . | . | trans | -55.9 | 92.8 | 151.7 | 51.6 | 0 | 0 | 0 | 0 | 107.1 | T432 M436 | T432-S434 VanDerWaalsContact CA-N 3.33Å; T432-S434 WeakPolarHBondContact CA-OG 3.2Å; T432-S434 WeakPolarHBondContact CB-OG 3.14Å; T432-S434 WeakPolarHBondContact CG2-OG 3.37Å; T432-S434 PolarHBondContact O-N 2.84Å; S434-M436 PolarHBondContact O-N 2.84Å | ||
| 435 | F | 52.2 | Low | 61.7 | Low | 86 Ų | 86 | 72.9 Ų | 72.9 | 38% | 0.377 | 40% | 0.403 | S | S | . | . | B | Isolated β-bridge | trans | -44.3 | 129.1 | 161.6 | -79.9 | -98.1 | 0 | 0 | 0 | 106 | D433 D437 S438 | D433-F435 VanDerWaalsContact O-CD2 3.3Å; D433-F435 WeakPolarHBondContact O-CD2 3.34Å; D433-F435 PolarHBondContact O-N 2.84Å; F435-D437 HydrophobicContact CB-CB 3.97Å; F435-D437 WeakPolarHBondContact CD1-OD2 3.4Å; F435-D437 PolarHBondContact O-N 3.44Å; F435-S438 PolarHBondContact O-N 2.76Å; F435-S438 PolarHBondContact O-OG 2.9Å |
| 436 | M | 54.7 | Low | 62.2 | Low | 3 Ų | 3 | 72.7 Ų | 72.7 | 2% | 0.015 | 40% | 0.403 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53 | -14.4 | 168.1 | -74.5 | -168.6 | 51.2 | 0 | 0 | 111.4 | F294 S434 S438 L442 Y460 T461 A462 E468 R471 A472 | F294-M436 HydrophobicContact CD2-SD 3.85Å; F294-M436 HydrophobicContact CE2-SD 4.19Å; F294-M436 HydrophobicContact CG-SD 4.1Å; S434-M436 PolarHBondContact O-N 2.84Å; M436-S438 PolarHBondContact O-N 3.31Å; M436-L442 HydrophobicContact CE-CD1 3.62Å; M436-L442 HydrophobicContact CE-CD2 3.86Å; M436-L442 HydrophobicContact CE-CG 4.4Å; M436-L442 HydrophobicContact CG-CD2 3.95Å; M436-L442 HydrophobicContact SD-CD2 4.35Å; M436-Y460 HydrophobicContact CG-CD1 4.44Å; M436-Y460 HydrophobicContact CG-CG 4.31Å; M436-T461 PolarHBondContact N-O 2.87Å; M436-A462 HydrophobicContact CB-CB 4.04Å; M436-A462 HydrophobicContact CG-CB 4.23Å; M436-A462 HydrophobicContact SD-CB 4.32Å; M436-E468 VanDerWaalsContact CB-OE2 3.27Å; M436-E468 WeakPolarHBondContact CB-OE2 3.48Å; M436-R471 VanDerWaalsContact C-NH2 3.27Å; M436-R471 VanDerWaalsContact CB-NH2 3.35Å; M436-R471 HydrophobicContact CE-CB 4.44Å; M436-R471 HydrophobicContact CE-CG 4.34Å; M436-R471 VanDerWaalsContact CE-CZ 3.44Å; M436-R471 PolarHBondContact O-NH1 2.88Å; M436-R471 PolarHBondContact O-NH2 3.01Å; M436-A472 HydrophobicContact CE-CB 3.95Å; M436-A472 HydrophobicContact SD-CB 4.3Å |
| 437 | D | 51.3 | Low | 63.2 | Low | 102 Ų | 102 | 68 Ų | 68 | 55% | 0.545 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -8.9 | 177.4 | -57.5 | -27.6 | 0 | 0 | 0 | 115.4 | F435 | F435-D437 HydrophobicContact CB-CB 3.97Å; F435-D437 WeakPolarHBondContact CD1-OD2 3.4Å; F435-D437 PolarHBondContact O-N 3.44Å |
| 438 | S | 54 | Low | 65 | Low | 52 Ų | 52 | 67.8 Ų | 67.8 | 36% | 0.364 | 38% | 0.375 | S | S | . | . | S | Bend | trans | -82.2 | 140.2 | 169.3 | 60.6 | 0 | 0 | 0 | 0 | 111.6 | F435 M436 E440 | F435-S438 PolarHBondContact O-N 2.76Å; F435-S438 PolarHBondContact O-OG 2.9Å; M436-S438 PolarHBondContact O-N 3.31Å; S438-E440 PolarHBondContact O-N 2.76Å |
| 439 | D | 51 | Low | 66.8 | Low | 182 Ų | 182 | 63.4 Ų | 63.4 | 97% | 0.973 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -62.4 | 9.7 | 176.3 | -104.2 | -15.8 | 0 | 0 | 0 | 114.4 | ||
| 440 | E | 56.2 | Low | 68.7 | Low | 145 Ų | 145 | 63.4 Ų | 63.4 | 68% | 0.678 | 34% | 0.343 | S | S | * | . | S | Bend | trans | -72.3 | 143.8 | 178.2 | -69.7 | -174.7 | 161 | 0 | 0 | 111.2 | S438 L442 | S438-E440 PolarHBondContact O-N 2.76Å; E440-L442 PolarHBondContact O-N 3.04Å |
| 441 | S | 66.3 | Low | 70.4 | Confident | 108 Ų | 108 | 67.9 Ų | 67.9 | 76% | 0.755 | 37% | 0.367 | S | S | * | . | trans | -58.7 | 115.9 | 176.2 | 59.8 | 0 | 0 | 0 | 0 | 110.1 | D443 | S441-D443 PolarHBondContact O-N 3.49Š| ||
| 442 | L | 78.1 | Confident | 72.4 | Confident | 22 Ų | 22 | 63.8 Ų | 63.8 | 12% | 0.115 | 35% | 0.345 | C | S | . | . | trans | -53.7 | 135.4 | 168.4 | -64.6 | 170 | 0 | 0 | 0 | 108.9 | M436 E440 F444 Y460 R471 H475 | M436-L442 HydrophobicContact CE-CD1 3.62Å; M436-L442 HydrophobicContact CE-CD2 3.86Å; M436-L442 HydrophobicContact CE-CG 4.4Å; M436-L442 HydrophobicContact CG-CD2 3.95Å; M436-L442 HydrophobicContact SD-CD2 4.35Å; E440-L442 PolarHBondContact O-N 3.04Å; L442-F444 HydrophobicContact CB-CD2 4.5Å; L442-F444 HydrophobicContact CB-CE2 4.17Å; L442-F444 HydrophobicContact CD1-CE2 4.47Å; L442-Y460 HydrophobicContact CD2-CD1 4.39Å; L442-Y460 HydrophobicContact CD2-CE1 4.35Å; L442-R471 HydrophobicContact CD1-CG 3.92Å; L442-H475 HydrophobicContact CD1-CB 4.39Å; L442-H475 PolarHBondContact O-CE1 2.74Å; L442-H475 PolarHBondContact O-NE2 2.84Å | ||
| 443 | D | 85.5 | Confident | 74.4 | Confident | 55 Ų | 55 | 63.3 Ų | 63.3 | 29% | 0.294 | 34% | 0.342 | S | S | . | . | trans | -142.3 | 104.9 | 175.5 | 170.1 | 33.8 | 0 | 0 | 0 | 108.7 | S441 K445 K458 Y460 | S441-D443 PolarHBondContact O-N 3.49Å; D443-K445 VanDerWaalsContact C-N 3.3Å; D443-K445 PolarHBondContact O-N 3.26Å; D443-K445 VanDerWaalsContact OD1-CB 3.26Å; D443-K445 WeakPolarHBondContact OD1-CB 3.37Å; D443-K445 WeakPolarHBondContact OD1-CD 3.28Å; D443-K445 WeakPolarHBondContact OD1-CG 3.4Å; D443-K445 PolarHBondContact OD1-N 2.82Å; D443-K458 WeakPolarHBondContact O-CD 3.36Å; D443-K458 WeakPolarHBondContact O-CE 3.37Å; D443-K458 PolarHBondContact O-NZ 2.85Å; D443-K458 IonicContact OD2-NZ 2.81Å; D443-K458 PolarHBondContact OD2-NZ 2.68Å; D443-Y460 PolarHBondContact N-OH 3.15Å; D443-Y460 WeakPolarHBondContact O-CE2 3.27Å; D443-Y460 PolarHBondContact O-OH 3.33Å | ||
| 444 | F | 89 | Confident | 76.6 | Confident | 8 Ų | 8 | 59.3 Ų | 59.3 | 4% | 0.035 | 32% | 0.32 | C | S | . | . | trans | -90.8 | 14.8 | 180 | -72.9 | -97.6 | 0 | 0 | 0 | 113.7 | F294 T296 L442 Y460 A472 H475 L476 | F294-F444 HydrophobicContact CB-CE1 4Å; F294-F444 HydrophobicContact CB-CZ 4.14Å; T296-F444 WeakPolarHBondContact OG1-CB 3.43Å; L442-F444 HydrophobicContact CB-CD2 4.5Å; L442-F444 HydrophobicContact CB-CE2 4.17Å; L442-F444 HydrophobicContact CD1-CE2 4.47Å; F444-Y460 HydrophobicContact CD1-CD2 4.05Å; F444-Y460 HydrophobicContact CD1-CE2 4.22Å; F444-Y460 HydrophobicContact CD2-CE2 4.24Å; F444-Y460 AromaticContact CE1-CD2 3.64Å; F444-Y460 HydrophobicContact CE1-CD2 3.64Å; F444-Y460 HydrophobicContact CE1-CE2 4.22Å; F444-Y460 HydrophobicContact CE2-CD2 4.15Å; F444-Y460 HydrophobicContact CE2-CE2 4.24Å; F444-Y460 HydrophobicContact CG-CD2 4.46Å; F444-Y460 HydrophobicContact CG-CE2 4.23Å; F444-Y460 AromaticContact CZ-CD2 3.7Å; F444-Y460 HydrophobicContact CZ-CD2 3.7Å; F444-Y460 HydrophobicContact CZ-CE2 4.23Å; F444-A472 HydrophobicContact CE2-CB 4.37Å; F444-A472 HydrophobicContact CZ-CB 3.95Å; F444-H475 AromaticContact CD2-CD2 3.6Å; F444-L476 HydrophobicContact CB-CD2 3.71Å; F444-L476 HydrophobicContact CD1-CD2 4.42Å; F444-L476 HydrophobicContact CD2-CD2 3.92Å; F444-L476 HydrophobicContact CD2-CG 4.25Å; F444-L476 HydrophobicContact CG-CD2 3.78Å; F444-L476 HydrophobicContact CG-CG 4.43Å | ||
| 445 | K | 90 | Very high | 78.8 | Confident | 151 Ų | 151 | 58.3 Ų | 58.3 | 66% | 0.657 | 31% | 0.311 | S | S | * | . | P | Polyproline II helix | trans | -58.1 | 131.7 | 175.2 | -75.8 | 172.6 | -174.9 | 177.9 | 0 | 110.5 | D443 K458 | D443-K445 VanDerWaalsContact C-N 3.3Å; D443-K445 PolarHBondContact O-N 3.26Å; D443-K445 VanDerWaalsContact OD1-CB 3.26Å; D443-K445 WeakPolarHBondContact OD1-CB 3.37Å; D443-K445 WeakPolarHBondContact OD1-CD 3.28Å; D443-K445 WeakPolarHBondContact OD1-CG 3.4Å; D443-K445 PolarHBondContact OD1-N 2.82Å; K445-K458 VanDerWaalsContact O-CB 3.3Å; K445-K458 WeakPolarHBondContact O-CB 3.43Å; K445-K458 WeakPolarHBondContact O-CD 3.44Å |
| 446 | P | 92.9 | Very high | 80.8 | Confident | 22 Ų | 22 | 54.2 Ų | 54.2 | 14% | 0.143 | 29% | 0.293 | C | S | . | . | P | Polyproline II helix | trans | -68.1 | 147.3 | -179.6 | 31.7 | -36.6 | 0 | 0 | 0 | 110.4 | F298 I368 I395 Y455 V456 | F298-P446 HydrophobicContact CE1-CB 4.48Å; F298-P446 HydrophobicContact CE1-CG 4.25Å; F298-P446 HydrophobicContact CZ-CB 4.12Å; F298-P446 HydrophobicContact CZ-CG 4.37Å; I368-P446 HydrophobicContact CD1-CG 3.66Å; I395-P446 HydrophobicContact CD1-CB 4.5Å; I395-P446 HydrophobicContact CD1-CG 4.26Å; I395-P446 HydrophobicContact CG2-CB 4.31Å; P446-Y455 HydrophobicContact CB-CD1 4.22Å; P446-Y455 HydrophobicContact CB-CG 4.39Å; P446-Y455 HydrophobicContact CG-CD1 4.05Å; P446-Y455 HydrophobicContact CG-CG 4.39Å; P446-V456 CarbonylContact C-O 3.51Å; P446-V456 WeakPolarHBondContact CA-O 3.45Å |
| 447 | I | 92.4 | Very high | 82.7 | Confident | 25 Ų | 25 | 54.1 Ų | 54.1 | 13% | 0.128 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 119.9 | -174.4 | -61.3 | 160.6 | 0 | 0 | 0 | 108.6 | L425 S429 L430 I449 Y455 V456 K458 | L425-I447 HydrophobicContact CD1-CG2 4.46Å; L425-I447 HydrophobicContact CD2-CG2 3.97Å; S429-I447 VanDerWaalsContact O-CD1 3.26Å; S429-I447 WeakPolarHBondContact O-CD1 3.47Å; L430-I447 HydrophobicContact CD2-CD1 3.49Å; L430-I447 VanDerWaalsContact CD2-CD1 3.49Å; L430-I447 HydrophobicContact CG-CD1 4.42Å; I447-I449 PolarHBondContact O-N 2.83Å; I447-Y455 CarbonylContact O-C 3.6Å; I447-Y455 WeakPolarHBondContact O-CA 3.28Å; I447-Y455 WeakPolarHBondContact O-CB 3.06Å; I447-V456 PolarHBondContact N-O 3.08Å; I447-V456 PolarHBondContact O-N 2.88Å; I447-K458 HydrophobicContact CD1-CB 4.41Å; I447-K458 HydrophobicContact CD1-CG 4.35Å; I447-K458 HydrophobicContact CG1-CB 4.36Å; I447-K458 HydrophobicContact CG1-CD 4.41Å |
| 448 | P | 93.1 | Very high | 84.7 | Confident | 70 Ų | 70 | 51 Ų | 51 | 46% | 0.455 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 127.4 | 179.5 | 26.6 | -31.9 | 0 | 0 | 0 | 111.1 | Y455 | P448-Y455 HydrophobicContact CB-CD1 3.82Å; P448-Y455 HydrophobicContact CB-CE1 3.56Å; P448-Y455 HydrophobicContact CG-CE1 4.39Å |
| 449 | I | 93.9 | Very high | 86.4 | Confident | 36 Ų | 36 | 48.9 Ų | 48.9 | 19% | 0.185 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | -47.1 | 161.4 | -48.4 | -51.5 | 0 | 0 | 0 | 109 | F423 L425 I447 M454 V456 | F423-I449 HydrophobicContact CB-CD1 3.62Å; F423-I449 HydrophobicContact CB-CG1 4.09Å; F423-I449 HydrophobicContact CB-CG2 4.16Å; F423-I449 HydrophobicContact CD1-CG1 4.28Å; F423-I449 HydrophobicContact CD1-CG2 4.13Å; F423-I449 HydrophobicContact CD2-CD1 4.29Å; F423-I449 HydrophobicContact CD2-CG1 4.31Å; F423-I449 HydrophobicContact CG-CD1 4Å; F423-I449 HydrophobicContact CG-CG1 3.99Å; F423-I449 HydrophobicContact CG-CG2 4.37Å; L425-I449 HydrophobicContact CD1-CD1 3.66Å; L425-I449 HydrophobicContact CD2-CD1 3.62Å; L425-I449 HydrophobicContact CG-CD1 3.8Å; I447-I449 PolarHBondContact O-N 2.83Å; I449-M454 HydrophobicContact CB-CB 4.34Å; I449-M454 HydrophobicContact CB-CE 3.83Å; I449-M454 HydrophobicContact CB-CG 4.32Å; I449-M454 HydrophobicContact CG1-CE 4.21Å; I449-M454 HydrophobicContact CG1-CG 4.3Å; I449-M454 HydrophobicContact CG2-CE 3.61Å; I449-M454 PolarHBondContact N-O 3.45Å; I449-V456 HydrophobicContact CD1-CG2 3.8Å; I449-V456 HydrophobicContact CG1-CG2 4Å |
| 450 | I | 92.5 | Very high | 88.3 | Confident | 38 Ų | 38 | 41 Ų | 41 | 20% | 0.195 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 111.2 | 173.1 | -54.9 | 175.7 | 0 | 0 | 0 | 106.1 | Q340 G452 I453 M454 | Q340-I450 WeakPolarHBondContact O-CD1 3.49Å; I450-G452 PolarHBondContact O-N 3.12Å; I450-I453 HydrophobicContact CB-CB 4.01Å; I450-I453 HydrophobicContact CB-CG2 4.46Å; I450-I453 HydrophobicContact CG2-CB 3.77Å; I450-I453 HydrophobicContact CG2-CG1 3.94Å; I450-I453 HydrophobicContact CG2-CG2 4.38Å; I450-I453 PolarHBondContact O-N 3.49Å; I450-M454 HydrophobicContact CB-CB 4.49Å; I450-M454 PolarHBondContact N-O 3.28Å; I450-M454 PolarHBondContact O-N 3.45Å |
| 451 | N | 90.2 | Very high | 90 | Very high | 96 Ų | 96 | 34.1 Ų | 34.1 | 51% | 0.513 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | 128.4 | -174.7 | -169.6 | 53.2 | 0 | 0 | 0 | 111.1 | N366 I453 Y455 | N366-N451 PolarHBondContact OD1-ND2 3.31Å; N451-I453 VanDerWaalsContact C-N 3.26Å; N451-I453 PolarHBondContact O-N 3.34Å; N451-Y455 PolarHBondContact OD1-OH 2.81Å |
| 452 | G | 89 | Confident | 91.1 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 79.1 | -7.8 | -177.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | F361 Q391 I450 Y455 | F361-G452 WeakPolarHBondContact CB-O 3.09Å; F361-G452 VanDerWaalsContact CD1-CA 3.49Å; F361-G452 VanDerWaalsContact CG-CA 3.49Å; Q391-G452 VanDerWaalsContact NE2-C 3.32Å; Q391-G452 PolarHBondContact NE2-O 2.94Å; I450-G452 PolarHBondContact O-N 3.12Å; G452-Y455 PolarHBondContact N-OH 2.74Å |
| 453 | I | 91.7 | Very high | 91.6 | Very high | 9 Ų | 9 | 30 Ų | 30 | 5% | 0.046 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -120 | -50.5 | -172.2 | -61.5 | -66.1 | 0 | 0 | 0 | 111.8 | L337 Q340 L341 Q391 C393 F394 I450 N451 | L337-I453 HydrophobicContact CD1-CG2 3.97Å; Q340-I453 HydrophobicContact CB-CD1 4.29Å; Q340-I453 HydrophobicContact CB-CG1 4.49Å; Q340-I453 HydrophobicContact CB-CG2 3.9Å; L341-I453 HydrophobicContact CD2-CG2 3.7Å; L341-I453 HydrophobicContact CG-CG2 4.3Å; Q391-I453 HydrophobicContact CG-CD1 4.48Å; C393-I453 CarbonylContact C-O 3.49Å; C393-I453 WeakPolarHBondContact CA-O 3.44Å; F394-I453 PolarHBondContact N-O 3.09Å; I450-I453 HydrophobicContact CB-CB 4.01Å; I450-I453 HydrophobicContact CB-CG2 4.46Å; I450-I453 HydrophobicContact CG2-CB 3.77Å; I450-I453 HydrophobicContact CG2-CG1 3.94Å; I450-I453 HydrophobicContact CG2-CG2 4.38Å; I450-I453 PolarHBondContact O-N 3.49Å; N451-I453 VanDerWaalsContact C-N 3.26Å; N451-I453 PolarHBondContact O-N 3.34Å |
| 454 | M | 94.9 | Very high | 91.9 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 132.1 | -175.6 | -169.8 | 163.7 | 61.4 | 0 | 0 | 111.8 | L341 F394 F423 I449 I450 | L341-M454 HydrophobicContact CD2-CB 3.55Å; L341-M454 HydrophobicContact CD2-CE 4.47Å; L341-M454 HydrophobicContact CD2-CG 3.92Å; L341-M454 HydrophobicContact CD2-SD 3.61Å; F394-M454 WeakPolarHBondContact O-CA 3.34Å; F423-M454 HydrophobicContact CD1-CE 3.74Å; F423-M454 HydrophobicContact CE1-CE 3.41Å; F423-M454 VanDerWaalsContact CE1-CE 3.41Å; F423-M454 HydrophobicContact CE1-SD 3.67Å; F423-M454 HydrophobicContact CZ-CE 4.25Å; F423-M454 HydrophobicContact CZ-SD 3.96Å; I449-M454 HydrophobicContact CB-CB 4.34Å; I449-M454 HydrophobicContact CB-CE 3.83Å; I449-M454 HydrophobicContact CB-CG 4.32Å; I449-M454 HydrophobicContact CG1-CE 4.21Å; I449-M454 HydrophobicContact CG1-CG 4.3Å; I449-M454 HydrophobicContact CG2-CE 3.61Å; I449-M454 PolarHBondContact N-O 3.45Å; I450-M454 HydrophobicContact CB-CB 4.49Å; I450-M454 PolarHBondContact N-O 3.28Å; I450-M454 PolarHBondContact O-N 3.45Å |
| 455 | Y | 95.9 | Very high | 91.9 | Very high | 15 Ų | 15 | 32.6 Ų | 32.6 | 6% | 0.059 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 158.8 | 176.7 | -61.4 | -109.3 | 0 | 0 | 0 | 110.4 | I368 C393 F394 I395 V396 P446 I447 P448 N451 G452 | I368-Y455 HydrophobicContact CD1-CD1 4.38Å; I368-Y455 HydrophobicContact CD1-CD2 4.24Å; I368-Y455 HydrophobicContact CD1-CE1 4.27Å; I368-Y455 HydrophobicContact CD1-CE2 4.12Å; I368-Y455 HydrophobicContact CD1-CG 4.39Å; C393-Y455 WeakPolarHBondContact SG-CD2 3.34Å; C393-Y455 WeakPolarHBondContact SG-CE2 3.25Å; F394-Y455 PolarHBondContact O-N 3.07Å; I395-Y455 CarbonylContact C-O 3.42Å; I395-Y455 WeakPolarHBondContact CA-O 3.25Å; V396-Y455 PolarHBondContact N-O 2.86Å; P446-Y455 HydrophobicContact CB-CD1 4.22Å; P446-Y455 HydrophobicContact CB-CG 4.39Å; P446-Y455 HydrophobicContact CG-CD1 4.05Å; P446-Y455 HydrophobicContact CG-CG 4.39Å; I447-Y455 CarbonylContact O-C 3.6Å; I447-Y455 WeakPolarHBondContact O-CA 3.28Å; I447-Y455 WeakPolarHBondContact O-CB 3.06Å; P448-Y455 HydrophobicContact CB-CD1 3.82Å; P448-Y455 HydrophobicContact CB-CE1 3.56Å; P448-Y455 HydrophobicContact CG-CE1 4.39Å; N451-Y455 PolarHBondContact OD1-OH 2.81Å; G452-Y455 PolarHBondContact N-OH 2.74Å |
| 456 | V | 95.3 | Very high | 91.8 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 131 | 165.8 | 176.5 | 0 | 0 | 0 | 0 | 108.1 | V396 L419 F423 L425 L430 P446 I447 I449 K458 W459 | V396-V456 CarbonylContact O-C 3.42Å; V396-V456 WeakPolarHBondContact O-CA 3.4Å; L419-V456 HydrophobicContact CD1-CG1 4.37Å; F423-V456 HydrophobicContact CD2-CG2 3.58Å; F423-V456 HydrophobicContact CE2-CG2 3.77Å; L425-V456 HydrophobicContact CD1-CB 4.49Å; L425-V456 HydrophobicContact CD1-CG2 4.18Å; L430-V456 HydrophobicContact CD2-CG1 4.28Å; P446-V456 CarbonylContact C-O 3.51Å; P446-V456 WeakPolarHBondContact CA-O 3.45Å; I447-V456 PolarHBondContact N-O 3.08Å; I447-V456 PolarHBondContact O-N 2.88Å; I449-V456 HydrophobicContact CD1-CG2 3.8Å; I449-V456 HydrophobicContact CG1-CG2 4Å; V456-K458 PolarHBondContact O-N 3.22Å; V456-W459 HydrophobicContact CG1-CZ3 4.03Å |
| 457 | S | 94.4 | Very high | 91.5 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 15% | 0.151 | C | C | . | . | trans | -57.8 | 124.2 | 172.7 | 178.6 | 0 | 0 | 0 | 0 | 109 | F298 V396 | F298-S457 WeakPolarHBondContact CE2-OG 3.33Å; V396-S457 PolarHBondContact O-N 3.3Å | ||
| 458 | K | 92 | Very high | 91.4 | Very high | 36 Ų | 36 | 27.9 Ų | 27.9 | 16% | 0.157 | 15% | 0.148 | C | C | . | . | trans | -71.8 | 147.3 | 170.9 | -168 | 165.8 | 173.4 | -159.8 | 0 | 110 | D443 K445 I447 V456 Y460 | D443-K458 WeakPolarHBondContact O-CD 3.36Å; D443-K458 WeakPolarHBondContact O-CE 3.37Å; D443-K458 PolarHBondContact O-NZ 2.85Å; D443-K458 IonicContact OD2-NZ 2.81Å; D443-K458 PolarHBondContact OD2-NZ 2.68Å; K445-K458 VanDerWaalsContact O-CB 3.3Å; K445-K458 WeakPolarHBondContact O-CB 3.43Å; K445-K458 WeakPolarHBondContact O-CD 3.44Å; I447-K458 HydrophobicContact CD1-CB 4.41Å; I447-K458 HydrophobicContact CD1-CG 4.35Å; I447-K458 HydrophobicContact CG1-CB 4.36Å; I447-K458 HydrophobicContact CG1-CD 4.41Å; V456-K458 PolarHBondContact O-N 3.22Å; K458-Y460 WeakPolarHBondContact CE-OH 3.44Å; K458-Y460 PolarHBondContact NZ-OH 3.04Å | ||
| 459 | W | 91.1 | Very high | 91.3 | Very high | 9 Ų | 9 | 24.6 Ų | 24.6 | 3% | 0.034 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 160.4 | 178.7 | 67.1 | 84.5 | 0 | 0 | 0 | 111.6 | L293 F294 E295 K416 L430 T432 V456 | L293-W459 HydrophobicContact CD1-CB 4.18Å; L293-W459 HydrophobicContact CD1-CG 3.87Å; L293-W459 HydrophobicContact CD2-CB 3.77Å; L293-W459 HydrophobicContact CD2-CG 4.35Å; L293-W459 HydrophobicContact CG-CB 3.91Å; L293-W459 HydrophobicContact CG-CG 4.13Å; F294-W459 WeakPolarHBondContact O-CA 3.38Å; F294-W459 WeakPolarHBondContact O-CB 3.46Å; E295-W459 HydrophobicContact CG-CB 3.77Å; K416-W459 HydrophobicContact CB-CH2 3.79Å; K416-W459 HydrophobicContact CB-CZ2 3.61Å; K416-W459 HydrophobicContact CB-CZ3 4.42Å; K416-W459 HydrophobicContact CD-CD2 4.04Å; K416-W459 HydrophobicContact CD-CE3 3.75Å; K416-W459 HydrophobicContact CD-CH2 3.96Å; K416-W459 HydrophobicContact CD-CZ2 4.29Å; K416-W459 HydrophobicContact CD-CZ3 3.71Å; K416-W459 HydrophobicContact CG-CD2 4.28Å; K416-W459 HydrophobicContact CG-CE3 4.45Å; K416-W459 HydrophobicContact CG-CH2 4.3Å; K416-W459 HydrophobicContact CG-CZ2 4.19Å; K416-W459 HydrophobicContact CG-CZ3 4.47Å; L430-W459 HydrophobicContact CB-CH2 3.95Å; L430-W459 HydrophobicContact CB-CZ2 4.09Å; L430-W459 HydrophobicContact CD1-CH2 4.25Å; L430-W459 HydrophobicContact CD2-CH2 3.28Å; L430-W459 HydrophobicContact CD2-CZ2 4.14Å; L430-W459 HydrophobicContact CD2-CZ3 3.51Å; L430-W459 HydrophobicContact CG-CH2 4Å; L430-W459 WeakPolarHBondContact O-CZ2 3.42Å; T432-W459 PolarHBondContact OG1-O 3.02Å; V456-W459 HydrophobicContact CG1-CZ3 4.03Å |
| 460 | Y | 90.4 | Very high | 91.1 | Very high | 17 Ų | 17 | 23 Ų | 23 | 7% | 0.067 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 155.8 | 172.4 | -67.7 | -90.2 | 0 | 0 | 0 | 109.7 | L293 F294 M436 L442 D443 F444 K458 | L293-Y460 CarbonylContact C-O 3.57Å; L293-Y460 VanDerWaalsContact CA-O 3.3Å; L293-Y460 WeakPolarHBondContact CA-O 3.44Å; F294-Y460 PolarHBondContact N-O 3.2Å; F294-Y460 PolarHBondContact O-N 3.24Å; F294-Y460 VanDerWaalsContact O-N 3.12Å; M436-Y460 HydrophobicContact CG-CD1 4.44Å; M436-Y460 HydrophobicContact CG-CG 4.31Å; L442-Y460 HydrophobicContact CD2-CD1 4.39Å; L442-Y460 HydrophobicContact CD2-CE1 4.35Å; D443-Y460 PolarHBondContact N-OH 3.15Å; D443-Y460 WeakPolarHBondContact O-CE2 3.27Å; D443-Y460 PolarHBondContact O-OH 3.33Å; F444-Y460 HydrophobicContact CD1-CD2 4.05Å; F444-Y460 HydrophobicContact CD1-CE2 4.22Å; F444-Y460 HydrophobicContact CD2-CE2 4.24Å; F444-Y460 AromaticContact CE1-CD2 3.64Å; F444-Y460 HydrophobicContact CE1-CD2 3.64Å; F444-Y460 HydrophobicContact CE1-CE2 4.22Å; F444-Y460 HydrophobicContact CE2-CD2 4.15Å; F444-Y460 HydrophobicContact CE2-CE2 4.24Å; F444-Y460 HydrophobicContact CG-CD2 4.46Å; F444-Y460 HydrophobicContact CG-CE2 4.23Å; F444-Y460 AromaticContact CZ-CD2 3.7Å; F444-Y460 HydrophobicContact CZ-CD2 3.7Å; F444-Y460 HydrophobicContact CZ-CE2 4.23Å; K458-Y460 WeakPolarHBondContact CE-OH 3.44Å; K458-Y460 PolarHBondContact NZ-OH 3.04Å |
| 461 | T | 90.9 | Very high | 90.9 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 144.8 | 170.6 | 70.8 | 0 | 0 | 0 | 0 | 111.3 | L292 L413 M436 A489 | L292-T461 VanDerWaalsContact O-CA 3.23Å; L292-T461 WeakPolarHBondContact O-CA 3.37Å; L413-T461 HydrophobicContact CD1-CG2 4.42Å; M436-T461 PolarHBondContact N-O 2.87Å; T461-A489 HydrophobicContact CG2-CB 4.41Å |
| 462 | A | 90.4 | Very high | 91 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 166.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111 | L292 F294 M436 E468 | L292-A462 PolarHBondContact N-O 3.23Å; L292-A462 PolarHBondContact O-N 2.87Å; F294-A462 HydrophobicContact CD2-CB 4.39Å; F294-A462 HydrophobicContact CE2-CB 3.57Å; F294-A462 HydrophobicContact CZ-CB 4.25Å; M436-A462 HydrophobicContact CB-CB 4.04Å; M436-A462 HydrophobicContact CG-CB 4.23Å; M436-A462 HydrophobicContact SD-CB 4.32Å; A462-E468 HydrophobicContact CB-CB 4.12Å; A462-E468 HydrophobicContact CB-CG 3.95Å |
| 463 | S | 89 | Confident | 91.1 | Very high | 44 Ų | 44 | 19.7 Ų | 19.7 | 31% | 0.308 | 10% | 0.097 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.7 | 153.8 | 170.8 | -63.6 | 0 | 0 | 0 | 0 | 111.2 | H465 | S463-H465 PolarHBondContact O-N 3.36Å |
| 464 | A | 90.5 | Very high | 90.9 | Very high | 13 Ų | 13 | 19.8 Ų | 19.8 | 11% | 0.107 | 10% | 0.097 | C | C | . | . | S | Bend | trans | -75.2 | 68.7 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | V272 L290 L292 | V272-A464 HydrophobicContact CG1-CB 4.45Å; V272-A464 WeakPolarHBondContact CG1-O 3.45Å; L290-A464 HydrophobicContact CD2-CB 3.6Å; L290-A464 HydrophobicContact CG-CB 3.9Å; L292-A464 HydrophobicContact CD1-CB 3.92Å; L292-A464 HydrophobicContact CG-CB 3.97Å |
| 465 | H | 89.1 | Confident | 90.6 | Very high | 103 Ų | 103 | 22 Ų | 22 | 48% | 0.477 | 11% | 0.108 | S | C | . | . | trans | -117 | 147.4 | 176.4 | -67.9 | -66.2 | 0 | 0 | 0 | 112 | S463 T467 E468 V469 | S463-H465 PolarHBondContact O-N 3.36Å; H465-T467 VanDerWaalsContact C-N 3.26Å; H465-T467 PolarHBondContact O-N 2.61Å; H465-E468 HydrophobicContact CB-CG 4.16Å; H465-E468 WeakPolarHBondContact O-CB 3.46Å; H465-E468 PolarHBondContact O-N 2.75Å; H465-V469 PolarHBondContact O-N 2.58Å | ||
| 466 | Q | 87.9 | Confident | 90.3 | Very high | 56 Ų | 56 | 21.4 Ų | 21.4 | 26% | 0.262 | 11% | 0.106 | S | C | . | . | H | α-helix | trans | -62.3 | -35.9 | 178.6 | -177.7 | -171.2 | 27.6 | 0 | 0 | 112 | D269 E468 V469 A470 | D269-Q466 PolarHBondContact OD1-NE2 2.81Å; D269-Q466 VanDerWaalsContact OD1-NE2 3.12Å; D269-Q466 PolarHBondContact OD1-OE1 3.45Å; D269-Q466 PolarHBondContact OD2-NE2 3.05Å; Q466-E468 VanDerWaalsContact C-N 3.27Å; Q466-E468 PolarHBondContact O-N 3.37Å; Q466-V469 PolarHBondContact O-N 2.96Å; Q466-A470 WeakPolarHBondContact O-CB 3.22Å; Q466-A470 PolarHBondContact O-N 3.43Å |
| 467 | T | 87.1 | Confident | 89.8 | Confident | 29 Ų | 29 | 22.1 Ų | 22.1 | 18% | 0.178 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -56.9 | -41.6 | 178.9 | 49.3 | 0 | 0 | 0 | 0 | 111.8 | H465 A470 R471 I687 V688 | H465-T467 VanDerWaalsContact C-N 3.26Å; H465-T467 PolarHBondContact O-N 2.61Å; T467-A470 PolarHBondContact O-N 3.43Å; T467-R471 VanDerWaalsContact O-CB 3.23Å; T467-R471 WeakPolarHBondContact O-CB 3.33Å; T467-R471 PolarHBondContact O-N 2.93Å; T467-I687 HydrophobicContact CG2-CG2 4.17Å; T467-V688 WeakPolarHBondContact CG2-O 3.19Å |
| 468 | E | 89.9 | Confident | 89.2 | Confident | 15 Ų | 15 | 25.5 Ų | 25.5 | 7% | 0.07 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -65.5 | -45.5 | 178.2 | -60.6 | -54.6 | 108.6 | 0 | 0 | 111.7 | F294 M436 A462 H465 Q466 R471 A472 | F294-E468 HydrophobicContact CZ-CB 4.04Å; M436-E468 VanDerWaalsContact CB-OE2 3.27Å; M436-E468 WeakPolarHBondContact CB-OE2 3.48Å; A462-E468 HydrophobicContact CB-CB 4.12Å; A462-E468 HydrophobicContact CB-CG 3.95Å; H465-E468 HydrophobicContact CB-CG 4.16Å; H465-E468 WeakPolarHBondContact O-CB 3.46Å; H465-E468 PolarHBondContact O-N 2.75Å; Q466-E468 VanDerWaalsContact C-N 3.27Å; Q466-E468 PolarHBondContact O-N 3.37Å; E468-R471 PolarHBondContact O-N 2.84Å; E468-R471 IonicContact OE1-CZ 3.84Å; E468-R471 IonicContact OE1-NE 3.41Å; E468-R471 IonicContact OE1-NH2 3.44Å; E468-R471 PolarHBondContact OE1-NH2 3.38Å; E468-R471 IonicContact OE2-CZ 2.71Å; E468-R471 IonicContact OE2-NE 3.16Å; E468-R471 IonicContact OE2-NH2 3.28Å; E468-R471 PolarHBondContact OE2-NH2 2.96Å; E468-A472 WeakPolarHBondContact O-CB 3.3Å; E468-A472 PolarHBondContact O-N 3.3Å |
| 469 | V | 91.6 | Very high | 88.6 | Confident | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -61.1 | -46.8 | 175 | -179.4 | 0 | 0 | 0 | 0 | 110.9 | L271 V272 F294 H465 Q466 F473 L484 | L271-V469 HydrophobicContact CD1-CG1 4.37Å; L271-V469 HydrophobicContact CD2-CG2 4.23Å; V272-V469 HydrophobicContact CG2-CG2 4Å; F294-V469 HydrophobicContact CE1-CB 4.49Å; F294-V469 HydrophobicContact CE1-CG2 3.97Å; F294-V469 HydrophobicContact CZ-CG2 4.45Å; H465-V469 PolarHBondContact O-N 2.58Å; Q466-V469 PolarHBondContact O-N 2.96Å; V469-F473 WeakPolarHBondContact O-CB 3.39Å; V469-F473 PolarHBondContact O-N 3.33Å; V469-L484 HydrophobicContact CG1-CD2 4.24Å |
| 470 | A | 88.8 | Confident | 88 | Confident | 3 Ų | 3 | 31.3 Ų | 31.3 | 3% | 0.025 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -63.6 | -43.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q466 T467 F473 N474 L685 I687 | Q466-A470 WeakPolarHBondContact O-CB 3.22Å; Q466-A470 PolarHBondContact O-N 3.43Å; T467-A470 PolarHBondContact O-N 3.43Å; A470-F473 PolarHBondContact O-N 3.47Å; A470-N474 VanDerWaalsContact O-CB 3.28Å; A470-N474 WeakPolarHBondContact O-CB 3.38Å; A470-N474 PolarHBondContact O-N 2.86Å; A470-N474 PolarHBondContact O-ND2 2.79Å; A470-L685 HydrophobicContact CB-CB 3.99Å; A470-I687 HydrophobicContact CB-CG1 3.95Å |
| 471 | R | 89.3 | Confident | 87.8 | Confident | 64 Ų | 64 | 34 Ų | 34 | 24% | 0.242 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -64.4 | -50.1 | 179.2 | -177.1 | 168.7 | 53.8 | 116.4 | -25.3 | 112.6 | M436 L442 T467 E468 F473 H475 I687 | M436-R471 VanDerWaalsContact C-NH2 3.27Å; M436-R471 VanDerWaalsContact CB-NH2 3.35Å; M436-R471 HydrophobicContact CE-CB 4.44Å; M436-R471 HydrophobicContact CE-CG 4.34Å; M436-R471 VanDerWaalsContact CE-CZ 3.44Å; M436-R471 PolarHBondContact O-NH1 2.88Å; M436-R471 PolarHBondContact O-NH2 3.01Å; L442-R471 HydrophobicContact CD1-CG 3.92Å; T467-R471 VanDerWaalsContact O-CB 3.23Å; T467-R471 WeakPolarHBondContact O-CB 3.33Å; T467-R471 PolarHBondContact O-N 2.93Å; E468-R471 PolarHBondContact O-N 2.84Å; E468-R471 IonicContact OE1-CZ 3.84Å; E468-R471 IonicContact OE1-NE 3.41Å; E468-R471 IonicContact OE1-NH2 3.44Å; E468-R471 PolarHBondContact OE1-NH2 3.38Å; E468-R471 IonicContact OE2-CZ 2.71Å; E468-R471 IonicContact OE2-NE 3.16Å; E468-R471 IonicContact OE2-NH2 3.28Å; E468-R471 PolarHBondContact OE2-NH2 2.96Å; R471-F473 VanDerWaalsContact C-N 3.33Å; R471-F473 PolarHBondContact O-N 2.85Å; R471-H475 WeakPolarHBondContact O-CB 3.34Å; R471-H475 PolarHBondContact O-N 2.86Å; R471-H475 VanDerWaalsContact O-N 3.1Å; R471-I687 HydrophobicContact CB-CD1 4.41Å |
| 472 | A | 91.6 | Very high | 87.5 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -60.8 | -42.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | F294 M436 F444 E468 L476 L484 | F294-A472 HydrophobicContact CD1-CB 3.93Å; F294-A472 HydrophobicContact CG-CB 4.43Å; M436-A472 HydrophobicContact CE-CB 3.95Å; M436-A472 HydrophobicContact SD-CB 4.3Å; F444-A472 HydrophobicContact CE2-CB 4.37Å; F444-A472 HydrophobicContact CZ-CB 3.95Å; E468-A472 WeakPolarHBondContact O-CB 3.3Å; E468-A472 PolarHBondContact O-N 3.3Å; A472-L476 WeakPolarHBondContact O-CG 3.23Å; A472-L476 PolarHBondContact O-N 2.88Å; A472-L476 VanDerWaalsContact O-N 3.15Å; A472-L484 HydrophobicContact CB-CD1 4Å; A472-L484 HydrophobicContact CB-CD2 3.96Å |
| 473 | F | 91.5 | Very high | 87.6 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -64.8 | -48.8 | -179.8 | 178 | -98 | 0 | 0 | 0 | 112.3 | V469 A470 R471 H475 L476 V477 L484 I508 P510 I513 L516 L685 | V469-F473 WeakPolarHBondContact O-CB 3.39Å; V469-F473 PolarHBondContact O-N 3.33Å; A470-F473 PolarHBondContact O-N 3.47Å; R471-F473 VanDerWaalsContact C-N 3.33Å; R471-F473 PolarHBondContact O-N 2.85Å; F473-H475 VanDerWaalsContact C-N 3.32Å; F473-H475 PolarHBondContact O-N 3.23Å; F473-L476 PolarHBondContact O-N 2.8Å; F473-L476 VanDerWaalsContact O-N 3.15Å; F473-V477 HydrophobicContact CD1-CG2 4.03Å; F473-V477 HydrophobicContact CD2-CG2 4.39Å; F473-V477 HydrophobicContact CE1-CG2 3.65Å; F473-V477 HydrophobicContact CE2-CG2 4.02Å; F473-V477 HydrophobicContact CG-CG2 4.43Å; F473-V477 HydrophobicContact CZ-CG2 3.64Å; F473-V477 WeakPolarHBondContact O-CG2 3.18Å; F473-V477 PolarHBondContact O-N 2.64Å; F473-L484 HydrophobicContact CB-CD2 4.02Å; F473-L484 HydrophobicContact CD2-CB 4.07Å; F473-I508 HydrophobicContact CD2-CB 4.49Å; F473-I508 HydrophobicContact CD2-CG1 4.28Å; F473-I508 HydrophobicContact CD2-CG2 3.69Å; F473-I508 HydrophobicContact CE2-CG1 4.09Å; F473-I508 HydrophobicContact CE2-CG2 4.16Å; F473-P510 HydrophobicContact CE2-CG 4.44Å; F473-P510 HydrophobicContact CZ-CG 3.89Å; F473-I513 HydrophobicContact CD1-CD1 4.38Å; F473-I513 HydrophobicContact CE1-CD1 3.52Å; F473-I513 HydrophobicContact CE2-CD1 4.23Å; F473-I513 HydrophobicContact CZ-CD1 3.42Å; F473-I513 VanDerWaalsContact CZ-CD1 3.42Å; F473-L516 HydrophobicContact CE1-CD2 3.73Å; F473-L516 HydrophobicContact CZ-CD2 3.98Å; F473-L685 HydrophobicContact CB-CD1 3.95Å; F473-L685 HydrophobicContact CD1-CB 4.29Å; F473-L685 HydrophobicContact CD1-CD1 3.15Å; F473-L685 HydrophobicContact CD1-CG 3.61Å; F473-L685 HydrophobicContact CE1-CD1 3.68Å; F473-L685 HydrophobicContact CE1-CG 3.81Å; F473-L685 HydrophobicContact CG-CD1 3.65Å |
| 474 | N | 87.5 | Confident | 87.9 | Confident | 11 Ų | 11 | 33.5 Ų | 33.5 | 6% | 0.059 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -60.3 | -43.4 | 179.3 | -72.3 | -20.7 | 0 | 0 | 0 | 111.2 | A470 L476 V477 D478 R684 L685 | A470-N474 VanDerWaalsContact O-CB 3.28Å; A470-N474 WeakPolarHBondContact O-CB 3.38Å; A470-N474 PolarHBondContact O-N 2.86Å; A470-N474 PolarHBondContact O-ND2 2.79Å; N474-L476 VanDerWaalsContact C-N 3.31Å; N474-L476 PolarHBondContact O-N 2.75Å; N474-V477 PolarHBondContact O-N 2.63Å; N474-D478 WeakPolarHBondContact O-CB 3.33Å; N474-D478 PolarHBondContact O-N 3.05Å; N474-R684 HydrophobicContact CB-CG 4.49Å; N474-R684 WeakPolarHBondContact OD1-CA 3.3Å; N474-L685 PolarHBondContact ND2-O 3.13Å; N474-L685 PolarHBondContact OD1-N 3.17Å |
| 475 | H | 89.4 | Confident | 88.3 | Confident | 48 Ų | 48 | 33.6 Ų | 33.6 | 22% | 0.222 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -56.9 | -44.7 | 175 | 175.6 | 85.5 | 0 | 0 | 0 | 112.1 | L442 F444 R471 F473 N479 | L442-H475 HydrophobicContact CD1-CB 4.39Å; L442-H475 PolarHBondContact O-CE1 2.74Å; L442-H475 PolarHBondContact O-NE2 2.84Å; F444-H475 AromaticContact CD2-CD2 3.6Å; R471-H475 WeakPolarHBondContact O-CB 3.34Å; R471-H475 PolarHBondContact O-N 2.86Å; R471-H475 VanDerWaalsContact O-N 3.1Å; F473-H475 VanDerWaalsContact C-N 3.32Å; F473-H475 PolarHBondContact O-N 3.23Å; H475-N479 PolarHBondContact CE1-ND2 3Å; H475-N479 VanDerWaalsContact CE1-ND2 3.29Å; H475-N479 PolarHBondContact NE2-ND2 2.89Å; H475-N479 PolarHBondContact O-N 2.93Å; H475-N479 VanDerWaalsContact O-N 3.11Å; H475-N479 PolarHBondContact O-ND2 2.8Å |
| 476 | L | 89.6 | Confident | 88.6 | Confident | 2 Ų | 2 | 28.7 Ų | 28.7 | 1% | 0.01 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -68.5 | -37.4 | 179 | -71.6 | 173.8 | 0 | 0 | 0 | 112.8 | T296 F444 A472 F473 N474 N479 H480 Q481 L484 | T296-L476 HydrophobicContact CG2-CD2 4.24Å; T296-L476 WeakPolarHBondContact OG1-CD2 3.33Å; F444-L476 HydrophobicContact CB-CD2 3.71Å; F444-L476 HydrophobicContact CD1-CD2 4.42Å; F444-L476 HydrophobicContact CD2-CD2 3.92Å; F444-L476 HydrophobicContact CD2-CG 4.25Å; F444-L476 HydrophobicContact CG-CD2 3.78Å; F444-L476 HydrophobicContact CG-CG 4.43Å; A472-L476 WeakPolarHBondContact O-CG 3.23Å; A472-L476 PolarHBondContact O-N 2.88Å; A472-L476 VanDerWaalsContact O-N 3.15Å; F473-L476 PolarHBondContact O-N 2.8Å; F473-L476 VanDerWaalsContact O-N 3.15Å; N474-L476 VanDerWaalsContact C-N 3.31Å; N474-L476 PolarHBondContact O-N 2.75Å; L476-N479 CarbonylContact O-C 3.47Å; L476-N479 PolarHBondContact O-N 2.64Å; L476-H480 PolarHBondContact O-N 3.14Å; L476-Q481 HydrophobicContact CB-CB 4.11Å; L476-Q481 HydrophobicContact CB-CG 4.48Å; L476-Q481 HydrophobicContact CD2-CB 4.17Å; L476-Q481 HydrophobicContact CD2-CG 3.87Å; L476-Q481 VanDerWaalsContact O-CB 3.28Å; L476-Q481 WeakPolarHBondContact O-CB 2.99Å; L476-Q481 PolarHBondContact O-N 3.04Å; L476-L484 HydrophobicContact CD1-CB 3.85Å; L476-L484 HydrophobicContact CD1-CD1 3.54Å; L476-L484 HydrophobicContact CD1-CG 4.3Å |
| 477 | V | 83.6 | Confident | 89 | Confident | 15 Ų | 15 | 26.1 Ų | 26.1 | 9% | 0.091 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -66.4 | -45 | 175.9 | 173.3 | 0 | 0 | 0 | 0 | 111.1 | F473 N474 N479 H480 P510 A681 | F473-V477 HydrophobicContact CD1-CG2 4.03Å; F473-V477 HydrophobicContact CD2-CG2 4.39Å; F473-V477 HydrophobicContact CE1-CG2 3.65Å; F473-V477 HydrophobicContact CE2-CG2 4.02Å; F473-V477 HydrophobicContact CG-CG2 4.43Å; F473-V477 HydrophobicContact CZ-CG2 3.64Å; F473-V477 WeakPolarHBondContact O-CG2 3.18Å; F473-V477 PolarHBondContact O-N 2.64Å; N474-V477 PolarHBondContact O-N 2.63Å; V477-N479 PolarHBondContact O-N 2.98Å; V477-H480 PolarHBondContact O-N 3.44Å; V477-P510 HydrophobicContact CG1-CG 4.42Å; V477-P510 HydrophobicContact CG2-CG 3.61Å; V477-A681 HydrophobicContact CG1-CB 3.75Å |
| 478 | D | 81.1 | Confident | 89.4 | Confident | 71 Ų | 71 | 25 Ų | 25 | 38% | 0.38 | 12% | 0.121 | S | C | . | . | H | α-helix | trans | -62.5 | -28.2 | 177.2 | -69.9 | -8.5 | 0 | 0 | 0 | 111.7 | N474 H480 R684 | N474-D478 WeakPolarHBondContact O-CB 3.33Å; N474-D478 PolarHBondContact O-N 3.05Å; D478-H480 VanDerWaalsContact C-N 3.33Å; D478-R684 IonicContact OD1-NE 2.69Å; D478-R684 PolarHBondContact OD1-NE 2.8Å; D478-R684 IonicContact OD1-NH2 3.69Å; D478-R684 IonicContact OD2-CZ 2.6Å; D478-R684 VanDerWaalsContact OD2-CZ 3.27Å; D478-R684 IonicContact OD2-NE 3.27Å; D478-R684 PolarHBondContact OD2-NE 2.77Å; D478-R684 VanDerWaalsContact OD2-NE 3.16Å; D478-R684 IonicContact OD2-NH2 2.88Å; D478-R684 PolarHBondContact OD2-NH2 3.41Å |
| 479 | N | 81.3 | Confident | 89.5 | Confident | 81 Ų | 81 | 24.2 Ų | 24.2 | 43% | 0.433 | 12% | 0.117 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | 23.8 | 173.9 | -71.2 | -81.4 | 0 | 0 | 0 | 113.2 | H475 L476 V477 Q481 | H475-N479 PolarHBondContact CE1-ND2 3Å; H475-N479 VanDerWaalsContact CE1-ND2 3.29Å; H475-N479 PolarHBondContact NE2-ND2 2.89Å; H475-N479 PolarHBondContact O-N 2.93Å; H475-N479 VanDerWaalsContact O-N 3.11Å; H475-N479 PolarHBondContact O-ND2 2.8Å; L476-N479 CarbonylContact O-C 3.47Å; L476-N479 PolarHBondContact O-N 2.64Å; V477-N479 PolarHBondContact O-N 2.98Å; N479-Q481 PolarHBondContact O-N 3.25Å; N479-Q481 PolarHBondContact O-NE2 2.87Å |
| 480 | H | 77.8 | Confident | 89.3 | Confident | 85 Ų | 85 | 25.9 Ų | 25.9 | 39% | 0.394 | 13% | 0.126 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.7 | 23.8 | 174.2 | -50.6 | -73.8 | 0 | 0 | 0 | 115.8 | L476 V477 D478 E677 K679 | L476-H480 PolarHBondContact O-N 3.14Å; V477-H480 PolarHBondContact O-N 3.44Å; D478-H480 VanDerWaalsContact C-N 3.33Å; H480-E677 IonicContact NE2-OE2 2.71Å; H480-K679 HydrophobicContact CB-CG 4.31Å; H480-K679 WeakPolarHBondContact O-CE 3.49Å |
| 481 | Q | 85.8 | Confident | 89 | Confident | 75 Ų | 75 | 29.2 Ų | 29.2 | 35% | 0.35 | 15% | 0.15 | S | C | . | . | trans | -77 | 161.2 | 176.7 | -56.5 | -58.2 | -50.8 | 0 | 0 | 111.6 | T296 L476 N479 G483 | T296-Q481 HydrophobicContact CG2-CB 4.12Å; T296-Q481 HydrophobicContact CG2-CG 4.11Å; L476-Q481 HydrophobicContact CB-CB 4.11Å; L476-Q481 HydrophobicContact CB-CG 4.48Å; L476-Q481 HydrophobicContact CD2-CB 4.17Å; L476-Q481 HydrophobicContact CD2-CG 3.87Å; L476-Q481 VanDerWaalsContact O-CB 3.28Å; L476-Q481 WeakPolarHBondContact O-CB 2.99Å; L476-Q481 PolarHBondContact O-N 3.04Å; N479-Q481 PolarHBondContact O-N 3.25Å; N479-Q481 PolarHBondContact O-NE2 2.87Å; Q481-G483 VanDerWaalsContact C-N 3.27Å; Q481-G483 PolarHBondContact O-N 3.15Å | ||
| 482 | E | 85.7 | Confident | 88.7 | Confident | 32 Ų | 32 | 27.7 Ų | 27.7 | 15% | 0.15 | 15% | 0.148 | C | C | . | . | S | Bend | trans | -67.6 | -27.4 | -175.8 | -158.1 | -162.9 | 150.6 | 0 | 0 | 113.3 | K297 D299 K509 | K297-E482 IonicContact NZ-OE1 2.93Å; K297-E482 PolarHBondContact NZ-OE1 3.37Å; K297-E482 IonicContact NZ-OE2 3.59Å; K297-E482 PolarHBondContact NZ-OE2 2.92Å; K297-E482 VanDerWaalsContact O-CB 3.25Å; K297-E482 WeakPolarHBondContact O-CB 3.03Å; D299-E482 VanDerWaalsContact CA-OE2 3.25Å; D299-E482 WeakPolarHBondContact CA-OE2 3.35Å; D299-E482 HydrophobicContact CB-CB 4.18Å; D299-E482 HydrophobicContact CB-CG 4.07Å; D299-E482 WeakPolarHBondContact CB-OE2 3.38Å; D299-E482 PolarHBondContact N-OE2 3.32Å; E482-K509 WeakPolarHBondContact OE1-CE 3.32Å; E482-K509 IonicContact OE1-NZ 3.43Å; E482-K509 PolarHBondContact OE1-NZ 3.4Å |
| 483 | G | 91.7 | Very high | 88.6 | Confident | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 15% | 0.151 | C | C | . | . | trans | 154.3 | -165.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | K297 Q481 I508 | K297-G483 VanDerWaalsContact CB-O 3.25Å; K297-G483 WeakPolarHBondContact CB-O 3.36Å; K297-G483 PolarHBondContact N-O 3.2Å; Q481-G483 VanDerWaalsContact C-N 3.27Å; Q481-G483 PolarHBondContact O-N 3.15Å; G483-I508 WeakPolarHBondContact CA-O 3.13Å | ||
| 484 | L | 95.5 | Very high | 88.6 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 138.4 | -174.1 | 175.4 | 70.7 | 0 | 0 | 0 | 110.6 | F294 V469 A472 F473 L476 V486 K507 I508 | F294-L484 HydrophobicContact CB-CD1 4.14Å; F294-L484 HydrophobicContact CD1-CD1 4.22Å; F294-L484 HydrophobicContact CD1-CD2 4.11Å; V469-L484 HydrophobicContact CG1-CD2 4.24Å; A472-L484 HydrophobicContact CB-CD1 4Å; A472-L484 HydrophobicContact CB-CD2 3.96Å; F473-L484 HydrophobicContact CB-CD2 4.02Å; F473-L484 HydrophobicContact CD2-CB 4.07Å; L476-L484 HydrophobicContact CD1-CB 3.85Å; L476-L484 HydrophobicContact CD1-CD1 3.54Å; L476-L484 HydrophobicContact CD1-CG 4.3Å; L484-V486 HydrophobicContact CD2-CG2 3.68Å; L484-V486 HydrophobicContact CG-CG2 3.8Å; L484-K507 WeakPolarHBondContact O-CA 3.44Å; L484-I508 HydrophobicContact CB-CG2 3.69Å; L484-I508 HydrophobicContact CD2-CG2 4.02Å; L484-I508 HydrophobicContact CG-CG2 4.22Å; L484-I508 PolarHBondContact N-O 3.37Å; L484-I508 PolarHBondContact O-N 3.26Å |
| 485 | I | 97.4 | Very high | 89 | Confident | 16 Ų | 16 | 31.3 Ų | 31.3 | 8% | 0.082 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 131.1 | 165.1 | -59 | -55.2 | 0 | 0 | 0 | 108.4 | E295 K297 K487 W506 K507 | E295-I485 HydrophobicContact CB-CB 4.32Å; E295-I485 PolarHBondContact N-O 3.17Å; E295-I485 PolarHBondContact O-N 3.08Å; K297-I485 HydrophobicContact CB-CD1 3.95Å; K297-I485 HydrophobicContact CB-CG1 3.85Å; K297-I485 HydrophobicContact CD-CD1 4.05Å; K297-I485 HydrophobicContact CG-CD1 3.78Å; K297-I485 HydrophobicContact CG-CG1 4.07Å; I485-K487 HydrophobicContact CG2-CD 4.33Å; I485-K487 HydrophobicContact CG2-CG 3.94Å; I485-W506 WeakPolarHBondContact CA-O 3.33Å; I485-K507 HydrophobicContact CD1-CB 3.56Å |
| 486 | V | 97 | Very high | 89.2 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 133.7 | 174.8 | -169.8 | 0 | 0 | 0 | 0 | 108.9 | L271 L292 L293 F294 L484 W506 | L271-V486 HydrophobicContact CD1-CB 3.9Å; L271-V486 HydrophobicContact CD1-CG2 3.71Å; L271-V486 HydrophobicContact CD2-CB 4.01Å; L271-V486 HydrophobicContact CD2-CG1 3.8Å; L271-V486 HydrophobicContact CD2-CG2 4.34Å; L292-V486 HydrophobicContact CB-CG1 3.9Å; L292-V486 HydrophobicContact CD1-CG1 3.96Å; L292-V486 HydrophobicContact CD2-CG1 4.33Å; L292-V486 HydrophobicContact CG-CG1 4.28Å; L293-V486 CarbonylContact O-C 3.57Å; L293-V486 VanDerWaalsContact O-CA 3.31Å; L293-V486 WeakPolarHBondContact O-CA 3.32Å; F294-V486 HydrophobicContact CD1-CG1 4.29Å; F294-V486 HydrophobicContact CD1-CG2 3.97Å; F294-V486 HydrophobicContact CE1-CG1 4.06Å; F294-V486 HydrophobicContact CE1-CG2 4.11Å; F294-V486 HydrophobicContact CZ-CG1 4.48Å; L484-V486 HydrophobicContact CD2-CG2 3.68Å; L484-V486 HydrophobicContact CG-CG2 3.8Å; V486-W506 PolarHBondContact N-O 3.08Å; V486-W506 PolarHBondContact O-N 2.77Å |
| 487 | K | 96.2 | Very high | 89.4 | Confident | 2 Ų | 2 | 33 Ų | 33 | 1% | 0.009 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 150.6 | -176.9 | -53.9 | 173.8 | -173 | 164.2 | 0 | 110.3 | L292 L293 E295 L412 I485 A489 G504 W505 | L292-K487 CarbonylContact C-O 3.56Å; L292-K487 WeakPolarHBondContact CA-O 3.49Å; L293-K487 HydrophobicContact CB-CB 4.5Å; L293-K487 HydrophobicContact CD2-CD 4.3Å; L293-K487 PolarHBondContact N-O 2.81Å; L293-K487 PolarHBondContact O-N 3.19Å; E295-K487 IonicContact OE1-NZ 3.34Å; E295-K487 PolarHBondContact OE1-NZ 3.46Å; E295-K487 WeakPolarHBondContact OE2-CE 3.49Å; E295-K487 IonicContact OE2-NZ 2.72Å; E295-K487 PolarHBondContact OE2-NZ 2.61Å; L412-K487 HydrophobicContact CD2-CB 3.56Å; L412-K487 HydrophobicContact CD2-CD 3.56Å; L412-K487 HydrophobicContact CD2-CG 4.2Å; I485-K487 HydrophobicContact CG2-CD 4.33Å; I485-K487 HydrophobicContact CG2-CG 3.94Å; K487-A489 PolarHBondContact O-N 2.82Å; K487-G504 CarbonylContact C-O 3.59Å; K487-G504 VanDerWaalsContact CA-O 3.27Å; K487-G504 WeakPolarHBondContact CA-O 3.2Å; K487-W505 HydrophobicContact CB-CG 4.37Å; K487-W505 HydrophobicContact CD-CD2 3.93Å; K487-W505 HydrophobicContact CD-CG 4.19Å; K487-W505 HydrophobicContact CD-CZ2 4.02Å; K487-W505 HydrophobicContact CG-CB 4.39Å; K487-W505 HydrophobicContact CG-CD2 4.06Å; K487-W505 HydrophobicContact CG-CG 3.78Å |
| 488 | I | 94.7 | Very high | 89.7 | Confident | 4 Ų | 4 | 33.2 Ų | 33.2 | 2% | 0.021 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 122.2 | 164 | -61.6 | -176.6 | 0 | 0 | 0 | 107.8 | L278 Y279 L290 N490 S493 G504 W506 | L278-I488 HydrophobicContact CB-CD1 4.42Å; L278-I488 HydrophobicContact CD2-CD1 3.88Å; L278-I488 HydrophobicContact CG-CD1 4.22Å; Y279-I488 HydrophobicContact CD2-CG2 4.07Å; L290-I488 HydrophobicContact CD1-CG1 4.2Å; L290-I488 HydrophobicContact CD1-CG2 3.94Å; I488-N490 WeakPolarHBondContact CG2-O 3.31Å; I488-S493 WeakPolarHBondContact O-CB 3.49Å; I488-G504 PolarHBondContact N-O 2.82Å; I488-W506 HydrophobicContact CD1-CH2 4.12Å; I488-W506 HydrophobicContact CG1-CH2 3.94Å; I488-W506 HydrophobicContact CG1-CZ3 3.87Å |
| 489 | A | 91.5 | Very high | 90.2 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 18% | 0.184 | C | C | . | . | trans | -83.9 | -52 | -171.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | K291 L293 L413 T461 K487 S493 | K291-A489 HydrophobicContact CB-CB 4.08Å; K291-A489 VanDerWaalsContact O-CB 3.24Å; K291-A489 WeakPolarHBondContact O-CB 3.24Å; K291-A489 PolarHBondContact O-N 3.25Å; L293-A489 HydrophobicContact CB-CB 3.73Å; L413-A489 HydrophobicContact CD1-CB 3.31Å; L413-A489 VanDerWaalsContact CD1-O 3.29Å; L413-A489 WeakPolarHBondContact CD1-O 3.45Å; L413-A489 PolarHBondContact N-O 2.68Å; T461-A489 HydrophobicContact CG2-CB 4.41Å; K487-A489 PolarHBondContact O-N 2.82Å; A489-S493 PolarHBondContact O-OG 2.64Å | ||
| 490 | N | 87.6 | Confident | 90.7 | Very high | 34 Ų | 34 | 35.2 Ų | 35.2 | 18% | 0.182 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -91.7 | 168.8 | -172.6 | 63.2 | -44.9 | 0 | 0 | 0 | 113.3 | Y279 G289 K291 I488 P492 S493 | Y279-N490 PolarHBondContact OH-ND2 2.87Å; G289-N490 PolarHBondContact O-ND2 2.9Å; K291-N490 PolarHBondContact N-OD1 2.95Å; K291-N490 PolarHBondContact O-OD1 3.44Å; I488-N490 WeakPolarHBondContact CG2-O 3.31Å; N490-P492 CarbonylContact O-C 3.47Å; N490-S493 VanDerWaalsContact O-CB 3.25Å; N490-S493 WeakPolarHBondContact O-CB 3.23Å; N490-S493 PolarHBondContact O-OG 2.86Å; N490-S493 VanDerWaalsContact O-OG 3.07Å |
| 491 | S | 83.6 | Confident | 91.2 | Very high | 74 Ų | 74 | 35.5 Ų | 35.5 | 52% | 0.517 | 19% | 0.193 | S | C | . | . | S | Bend | trans | -64.5 | 141.1 | -175.5 | -166.4 | 0 | 0 | 0 | 0 | 112.5 | Y279 | Y279-S491 WeakPolarHBondContact CE2-O 3.42Š|
| 492 | P | 82.5 | Confident | 91.2 | Very high | 31 Ų | 31 | 36.6 Ų | 36.6 | 20% | 0.201 | 20% | 0.201 | C | C | . | . | S | Bend | cis | -85.3 | 119.1 | -4.9 | 30.3 | -26.5 | 0 | 0 | 0 | 112.1 | Q282 N283 N490 | Q282-P492 HydrophobicContact CB-CG 3.58Å; Q282-P492 HydrophobicContact CG-CG 4.13Å; Q282-P492 PolarHBondContact OE1-O 3.17Å; N283-P492 WeakPolarHBondContact ND2-CD 3.43Å; N490-P492 CarbonylContact O-C 3.47Å |
| 493 | S | 89 | Confident | 91.3 | Very high | 10 Ų | 10 | 35.7 Ų | 35.7 | 7% | 0.07 | 20% | 0.2 | C | C | . | . | trans | -130.3 | 59 | 176.8 | 53 | 0 | 0 | 0 | 0 | 111 | S411 L412 R415 I488 A489 N490 | S411-S493 WeakPolarHBondContact CA-OG 3.2Å; S411-S493 WeakPolarHBondContact CB-OG 3.41Å; L412-S493 PolarHBondContact N-O 3.15Å; L412-S493 PolarHBondContact N-OG 2.72Å; R415-S493 PolarHBondContact NH1-O 2.74Å; I488-S493 WeakPolarHBondContact O-CB 3.49Å; A489-S493 PolarHBondContact O-OG 2.64Å; N490-S493 VanDerWaalsContact O-CB 3.25Å; N490-S493 WeakPolarHBondContact O-CB 3.23Å; N490-S493 PolarHBondContact O-OG 2.86Å; N490-S493 VanDerWaalsContact O-OG 3.07Å | ||
| 494 | L | 92.9 | Very high | 91.4 | Very high | 74 Ų | 74 | 35.9 Ų | 35.9 | 39% | 0.387 | 20% | 0.202 | S | C | . | . | trans | -64.5 | 152.2 | -177.5 | -46.5 | -178.5 | 0 | 0 | 0 | 111.3 | S409 L496 | S409-L494 WeakPolarHBondContact O-CD2 3.45Å; L494-L496 HydrophobicContact CB-CD2 4.12Å; L494-L496 HydrophobicContact CB-CG 4.38Å | ||
| 495 | Y | 95.2 | Very high | 91.4 | Very high | 4 Ų | 4 | 36.2 Ų | 36.2 | 2% | 0.016 | 20% | 0.203 | C | C | . | . | trans | -83.8 | 120.2 | 166.6 | -168.7 | -80.5 | 0 | 0 | 0 | 109.4 | F257 P259 M260 D355 L400 T408 P497 W505 | F257-Y495 HydrophobicContact CD2-CE1 4.3Å; F257-Y495 AromaticContact CE2-CE1 3.75Å; F257-Y495 HydrophobicContact CE2-CE1 3.75Å; F257-Y495 AromaticContact CE2-CZ 3.97Å; P259-Y495 VanDerWaalsContact CA-OH 3.32Å; P259-Y495 WeakPolarHBondContact CA-OH 3.43Å; M260-Y495 HydrophobicContact CB-CD1 4.25Å; M260-Y495 HydrophobicContact CB-CD2 4.2Å; M260-Y495 HydrophobicContact CB-CE1 3.77Å; M260-Y495 HydrophobicContact CB-CE2 3.78Å; M260-Y495 HydrophobicContact CB-CG 4.45Å; M260-Y495 PolarHBondContact N-OH 3.45Å; M260-Y495 HydrophobicContact SD-CD2 4.23Å; M260-Y495 HydrophobicContact SD-CG 4.36Å; D355-Y495 WeakPolarHBondContact OD2-CE2 3.49Å; D355-Y495 PolarHBondContact OD2-OH 3.19Å; L400-Y495 HydrophobicContact CD1-CD1 3.89Å; L400-Y495 HydrophobicContact CD1-CD2 4.39Å; L400-Y495 HydrophobicContact CD1-CE1 3.67Å; L400-Y495 HydrophobicContact CD1-CE2 4.14Å; L400-Y495 HydrophobicContact CD1-CG 4.25Å; L400-Y495 HydrophobicContact CD2-CD1 3.85Å; L400-Y495 HydrophobicContact CD2-CD2 3.37Å; L400-Y495 HydrophobicContact CD2-CE1 4.29Å; L400-Y495 HydrophobicContact CD2-CE2 3.81Å; L400-Y495 HydrophobicContact CD2-CG 3.36Å; L400-Y495 HydrophobicContact CG-CD2 4.47Å; L400-Y495 HydrophobicContact CG-CE2 4.49Å; L400-Y495 HydrophobicContact CG-CG 4.47Å; T408-Y495 PolarHBondContact O-N 3.46Å; Y495-P497 HydrophobicContact CD1-CG 4.12Å; Y495-P497 HydrophobicContact CE1-CG 4.19Å; Y495-P497 WeakPolarHBondContact O-CD 3.21Å; Y495-W505 HydrophobicContact CD2-CH2 4.12Å; Y495-W505 HydrophobicContact CD2-CZ2 4.14Å; Y495-W505 AromaticContact CE2-CH2 3.8Å; Y495-W505 HydrophobicContact CE2-CH2 3.8Å; Y495-W505 HydrophobicContact CE2-CZ2 4.29Å | ||
| 496 | L | 93.2 | Very high | 91.4 | Very high | 58 Ų | 58 | 35.6 Ų | 35.6 | 30% | 0.304 | 20% | 0.2 | S | C | . | . | trans | -115.5 | 96.9 | -175.1 | -60.6 | 175.9 | 0 | 0 | 0 | 110.6 | M260 L494 G498 I499 | M260-L496 WeakPolarHBondContact CB-O 3.46Å; M260-L496 HydrophobicContact CE-CB 4.49Å; M260-L496 WeakPolarHBondContact CG-O 3.28Å; M260-L496 PolarHBondContact SD-N 2.9Å; L494-L496 HydrophobicContact CB-CD2 4.12Å; L494-L496 HydrophobicContact CB-CG 4.38Å; L496-G498 PolarHBondContact O-N 2.84Å; L496-I499 HydrophobicContact CB-CB 3.85Å; L496-I499 HydrophobicContact CB-CG1 3.68Å; L496-I499 PolarHBondContact O-N 2.95Å | ||
| 497 | P | 93.2 | Very high | 91.4 | Very high | 26 Ų | 26 | 38 Ų | 38 | 17% | 0.169 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.2 | 130.8 | -179.8 | -28.5 | 37.2 | 0 | 0 | 0 | 112.8 | V216 V251 F257 R258 Y495 I499 | V216-P497 HydrophobicContact CG1-CB 4.07Å; V216-P497 HydrophobicContact CG1-CG 3.97Å; V251-P497 HydrophobicContact CG2-CG 4.03Å; F257-P497 HydrophobicContact CD2-CB 4.35Å; F257-P497 HydrophobicContact CD2-CG 4.41Å; R258-P497 CarbonylContact O-C 3.55Å; R258-P497 WeakPolarHBondContact O-CA 3.47Å; R258-P497 VanDerWaalsContact O-CB 3.3Å; R258-P497 WeakPolarHBondContact O-CB 3.3Å; Y495-P497 HydrophobicContact CD1-CG 4.12Å; Y495-P497 HydrophobicContact CE1-CG 4.19Å; Y495-P497 WeakPolarHBondContact O-CD 3.21Å; P497-I499 PolarHBondContact O-N 3.47Å; P497-I499 VanDerWaalsContact O-N 3.08Å |
| 498 | G | 90.6 | Very high | 91.2 | Very high | 20 Ų | 20 | 38 Ų | 38 | 21% | 0.206 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 72.2 | -8.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 117.1 | R258 P259 L496 | R258-G498 PolarHBondContact O-N 2.91Å; P259-G498 PolarHBondContact O-N 3.11Å; L496-G498 PolarHBondContact O-N 2.84Å |
| 499 | I | 92.2 | Very high | 91 | Very high | 71 Ų | 71 | 39 Ų | 39 | 36% | 0.364 | 22% | 0.215 | S | C | . | . | trans | -74.9 | 140.6 | 177.9 | -58.7 | -54.2 | 0 | 0 | 0 | 110.6 | L261 L496 P497 T501 | L261-I499 WeakPolarHBondContact CB-O 3.19Å; L261-I499 PolarHBondContact N-O 3.1Å; L496-I499 HydrophobicContact CB-CB 3.85Å; L496-I499 HydrophobicContact CB-CG1 3.68Å; L496-I499 PolarHBondContact O-N 2.95Å; P497-I499 PolarHBondContact O-N 3.47Å; P497-I499 VanDerWaalsContact O-N 3.08Å; I499-T501 VanDerWaalsContact CG2-O 3.31Å; I499-T501 WeakPolarHBondContact CG2-O 3.3Å | ||
| 500 | R | 91.2 | Very high | 90.6 | Very high | 124 Ų | 124 | 39.7 Ų | 39.7 | 47% | 0.468 | 22% | 0.219 | S | C | . | . | trans | -121.6 | -51.5 | 177.3 | 175.8 | 175.2 | -79.6 | 163.8 | -4.4 | 112.4 | L261 E263 | L261-R500 HydrophobicContact CB-CB 4Å; L261-R500 HydrophobicContact CB-CG 4.38Å; E263-R500 WeakPolarHBondContact CB-O 3.19Å; E263-R500 PolarHBondContact N-O 2.75Å | ||
| 501 | T | 88.9 | Confident | 90.2 | Very high | 90 Ų | 90 | 39.5 Ų | 39.5 | 55% | 0.552 | 22% | 0.218 | S | C | * | . | S | Bend | trans | -92.5 | 143.3 | 179.7 | 50 | 0 | 0 | 0 | 0 | 109.5 | I499 G503 | I499-T501 VanDerWaalsContact CG2-O 3.31Å; I499-T501 WeakPolarHBondContact CG2-O 3.3Å; T501-G503 PolarHBondContact O-N 3.22Å; T501-G503 VanDerWaalsContact O-N 3.09Å |
| 502 | D | 85.6 | Confident | 90.1 | Very high | 99 Ų | 99 | 37.1 Ų | 37.1 | 53% | 0.529 | 20% | 0.198 | S | C | . | . | S | Bend | trans | 56.9 | 20.8 | -177.9 | -57.9 | -32.3 | 0 | 0 | 0 | 114.2 | L278 | L278-D502 HydrophobicContact CD1-CB 4.08Š|
| 503 | G | 88 | Confident | 89.8 | Confident | 12 Ų | 12 | 36.6 Ų | 36.6 | 12% | 0.124 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -86.8 | -19.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | M260 T501 | M260-G503 WeakPolarHBondContact CE-O 3.22Å; T501-G503 PolarHBondContact O-N 3.22Å; T501-G503 VanDerWaalsContact O-N 3.09Å |
| 504 | G | 93.5 | Very high | 89 | Confident | 4 Ų | 4 | 43.8 Ų | 43.8 | 4% | 0.041 | 23% | 0.226 | C | C | . | . | S | Bend | trans | 88.9 | 12.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | K487 I488 W506 | K487-G504 CarbonylContact C-O 3.59Å; K487-G504 VanDerWaalsContact CA-O 3.27Å; K487-G504 WeakPolarHBondContact CA-O 3.2Å; I488-G504 PolarHBondContact N-O 2.82Å; G504-W506 VanDerWaalsContact C-CZ3 3.46Å; G504-W506 VanDerWaalsContact O-CZ3 3.22Å; G504-W506 WeakPolarHBondContact O-CZ3 3.43Å |
| 505 | W | 96.4 | Very high | 87.9 | Confident | 8 Ų | 8 | 42.1 Ų | 42.1 | 3% | 0.03 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 125.4 | 174.5 | -71.9 | 20.7 | 0 | 0 | 0 | 109.9 | M260 C262 E263 D398 K487 Y495 | M260-W505 HydrophobicContact CB-CE3 4.39Å; M260-W505 HydrophobicContact CB-CH2 4.44Å; M260-W505 HydrophobicContact CB-CZ3 4.21Å; M260-W505 HydrophobicContact CE-CB 4.41Å; M260-W505 VanDerWaalsContact CE-CD1 3.5Å; M260-W505 HydrophobicContact CE-CD2 4.04Å; M260-W505 HydrophobicContact CE-CG 3.75Å; M260-W505 HydrophobicContact CG-CD2 4.12Å; M260-W505 HydrophobicContact CG-CE3 4.13Å; M260-W505 HydrophobicContact CG-CZ3 4.42Å; M260-W505 HydrophobicContact SD-CD2 3.83Å; M260-W505 VanDerWaalsContact SD-CE2 3.56Å; M260-W505 HydrophobicContact SD-CE3 4.34Å; M260-W505 HydrophobicContact SD-CG 4.21Å; M260-W505 HydrophobicContact SD-CH2 4.4Å; M260-W505 HydrophobicContact SD-CZ2 3.89Å; C262-W505 CarbonylContact C-O 3.56Å; C262-W505 VanDerWaalsContact CA-O 3.27Å; C262-W505 WeakPolarHBondContact CA-O 3.45Å; E263-W505 PolarHBondContact N-O 3.44Å; D398-W505 WeakPolarHBondContact OD2-CZ2 3.44Å; K487-W505 HydrophobicContact CB-CG 4.37Å; K487-W505 HydrophobicContact CD-CD2 3.93Å; K487-W505 HydrophobicContact CD-CG 4.19Å; K487-W505 HydrophobicContact CD-CZ2 4.02Å; K487-W505 HydrophobicContact CG-CB 4.39Å; K487-W505 HydrophobicContact CG-CD2 4.06Å; K487-W505 HydrophobicContact CG-CG 3.78Å; Y495-W505 HydrophobicContact CD2-CH2 4.12Å; Y495-W505 HydrophobicContact CD2-CZ2 4.14Å; Y495-W505 AromaticContact CE2-CH2 3.8Å; Y495-W505 HydrophobicContact CE2-CH2 3.8Å; Y495-W505 HydrophobicContact CE2-CZ2 4.29Å |
| 506 | W | 96.9 | Very high | 86.8 | Confident | 3 Ų | 3 | 42.2 Ų | 42.2 | 1% | 0.011 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 151.9 | 178.1 | -61.3 | -89.6 | 0 | 0 | 0 | 111.4 | E263 A265 L271 A275 L278 I485 V486 I488 G504 | E263-W506 CarbonylContact O-C 3.58Å; E263-W506 WeakPolarHBondContact O-CA 3.44Å; A265-W506 HydrophobicContact CB-CB 4.48Å; L271-W506 HydrophobicContact CD1-CB 3.69Å; L271-W506 HydrophobicContact CD1-CG 4.28Å; L271-W506 HydrophobicContact CD2-CE3 4.36Å; L271-W506 HydrophobicContact CG-CB 3.86Å; L271-W506 HydrophobicContact CG-CD2 4.18Å; L271-W506 HydrophobicContact CG-CE3 4.48Å; L271-W506 HydrophobicContact CG-CG 3.89Å; A275-W506 VanDerWaalsContact CA-CH2 3.47Å; A275-W506 HydrophobicContact CB-CH2 3.53Å; A275-W506 HydrophobicContact CB-CZ2 4.18Å; A275-W506 HydrophobicContact CB-CZ3 3.81Å; L278-W506 HydrophobicContact CD2-CH2 4.41Å; I485-W506 WeakPolarHBondContact CA-O 3.33Å; V486-W506 PolarHBondContact N-O 3.08Å; V486-W506 PolarHBondContact O-N 2.77Å; I488-W506 HydrophobicContact CD1-CH2 4.12Å; I488-W506 HydrophobicContact CG1-CH2 3.94Å; I488-W506 HydrophobicContact CG1-CZ3 3.87Å; G504-W506 VanDerWaalsContact C-CZ3 3.46Å; G504-W506 VanDerWaalsContact O-CZ3 3.22Å; G504-W506 WeakPolarHBondContact O-CZ3 3.43Å |
| 507 | K | 95.9 | Very high | 86 | Confident | 51 Ų | 51 | 40 Ų | 40 | 22% | 0.222 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 134.2 | 168.8 | 57.2 | 173.4 | 178.5 | 164.4 | 0 | 109.8 | C262 E263 A265 L484 I485 Y512 | C262-K507 HydrophobicContact CB-CB 3.89Å; C262-K507 HydrophobicContact CB-CD 4.15Å; C262-K507 HydrophobicContact CB-CG 3.75Å; E263-K507 WeakPolarHBondContact O-CG 3.34Å; E263-K507 PolarHBondContact O-N 3.18Å; A265-K507 PolarHBondContact N-O 2.64Å; L484-K507 WeakPolarHBondContact O-CA 3.44Å; I485-K507 HydrophobicContact CD1-CB 3.56Å; K507-Y512 HydrophobicContact CD-CE2 4.37Å; K507-Y512 HydrophobicContact CG-CE2 4.24Å; K507-Y512 PolarHBondContact NZ-OH 2.92Å |
| 508 | I | 92.8 | Very high | 85.4 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 136.5 | 172.3 | -171.8 | 168.8 | 0 | 0 | 0 | 108.6 | A265 F473 G483 L484 I513 L685 | A265-I508 HydrophobicContact CB-CB 4.45Å; F473-I508 HydrophobicContact CD2-CB 4.49Å; F473-I508 HydrophobicContact CD2-CG1 4.28Å; F473-I508 HydrophobicContact CD2-CG2 3.69Å; F473-I508 HydrophobicContact CE2-CG1 4.09Å; F473-I508 HydrophobicContact CE2-CG2 4.16Å; G483-I508 WeakPolarHBondContact CA-O 3.13Å; L484-I508 HydrophobicContact CB-CG2 3.69Å; L484-I508 HydrophobicContact CD2-CG2 4.02Å; L484-I508 HydrophobicContact CG-CG2 4.22Å; L484-I508 PolarHBondContact N-O 3.37Å; L484-I508 PolarHBondContact O-N 3.26Å; I508-I513 HydrophobicContact CD1-CD1 3.99Å; I508-I513 HydrophobicContact CD1-CG1 4.36Å; I508-I513 HydrophobicContact CG1-CD1 3.98Å; I508-I513 HydrophobicContact CG1-CG1 4.36Å; I508-L685 HydrophobicContact CD1-CD1 4.14Å |
| 509 | K | 89.9 | Confident | 85.3 | Confident | 26 Ų | 26 | 43.5 Ų | 43.5 | 11% | 0.113 | 23% | 0.226 | C | C | . | . | trans | -138.4 | 155.6 | -177.4 | -64.1 | -167.8 | -172.7 | -174.4 | 0 | 110.3 | K297 E482 D511 Y512 | K297-K509 HydrophobicContact CD-CG 4.4Å; E482-K509 WeakPolarHBondContact OE1-CE 3.32Å; E482-K509 IonicContact OE1-NZ 3.43Å; E482-K509 PolarHBondContact OE1-NZ 3.4Å; K509-D511 VanDerWaalsContact C-N 3.26Å; K509-D511 WeakPolarHBondContact CB-OD1 3.33Å; K509-D511 VanDerWaalsContact CD-OD1 3.28Å; K509-D511 WeakPolarHBondContact CD-OD1 3.18Å; K509-D511 PolarHBondContact O-N 2.49Å; K509-Y512 HydrophobicContact CB-CD1 4.35Å; K509-Y512 HydrophobicContact CB-CD2 3.85Å; K509-Y512 HydrophobicContact CB-CE1 4.37Å; K509-Y512 HydrophobicContact CB-CE2 3.84Å; K509-Y512 HydrophobicContact CB-CG 4.1Å; K509-Y512 HydrophobicContact CD-CE1 4.16Å; K509-Y512 HydrophobicContact CD-CE2 4.05Å; K509-Y512 WeakPolarHBondContact CE-OH 3.36Å; K509-Y512 HydrophobicContact CG-CD2 4.18Å; K509-Y512 HydrophobicContact CG-CE2 3.66Å; K509-Y512 WeakPolarHBondContact O-CB 3.42Å; K509-Y512 PolarHBondContact O-N 2.82Å | ||
| 510 | P | 84.3 | Confident | 85.3 | Confident | 14 Ų | 14 | 40.4 Ų | 40.4 | 9% | 0.091 | 21% | 0.21 | C | C | . | . | G | 310 helix | trans | -51.2 | -42.9 | 175.2 | -33.1 | 40 | 0 | 0 | 0 | 114.4 | F473 V477 Y512 I513 L516 L517 A681 | F473-P510 HydrophobicContact CE2-CG 4.44Å; F473-P510 HydrophobicContact CZ-CG 3.89Å; V477-P510 HydrophobicContact CG1-CG 4.42Å; V477-P510 HydrophobicContact CG2-CG 3.61Å; P510-Y512 PolarHBondContact O-N 3.15Å; P510-Y512 VanDerWaalsContact O-N 3.15Å; P510-I513 PolarHBondContact O-N 3.04Å; P510-L516 HydrophobicContact CB-CD2 3.84Å; P510-L516 HydrophobicContact CG-CD2 4.37Å; P510-L517 HydrophobicContact CB-CD2 3.55Å; P510-L517 HydrophobicContact CB-CG 4.2Å; P510-A681 HydrophobicContact CB-CB 3.85Å; P510-A681 HydrophobicContact CG-CB 4.13Å |
| 511 | D | 77.6 | Confident | 85.5 | Confident | 30 Ų | 30 | 35.5 Ų | 35.5 | 16% | 0.16 | 19% | 0.193 | C | C | . | . | G | 310 helix | trans | -70.2 | -8.8 | -178.1 | 67.4 | -68.2 | 0 | 0 | 0 | 114.8 | K509 L517 R650 | K509-D511 VanDerWaalsContact C-N 3.26Å; K509-D511 WeakPolarHBondContact CB-OD1 3.33Å; K509-D511 VanDerWaalsContact CD-OD1 3.28Å; K509-D511 WeakPolarHBondContact CD-OD1 3.18Å; K509-D511 PolarHBondContact O-N 2.49Å; D511-L517 VanDerWaalsContact CA-CD1 3.45Å; D511-L517 HydrophobicContact CB-CD1 3.6Å; D511-R650 PolarHBondContact O-NH2 2.99Å |
| 512 | Y | 81.4 | Confident | 85.9 | Confident | 25 Ų | 25 | 31.2 Ų | 31.2 | 10% | 0.098 | 17% | 0.167 | C | C | . | . | G | 310 helix | trans | -91.3 | -23.5 | 176.1 | -58.1 | -15.5 | 0 | 0 | 0 | 112.8 | R264 K507 K509 P510 | R264-Y512 HydrophobicContact CG-CD2 3.71Å; R264-Y512 HydrophobicContact CG-CE2 3.81Å; R264-Y512 HydrophobicContact CG-CG 4.12Å; K507-Y512 HydrophobicContact CD-CE2 4.37Å; K507-Y512 HydrophobicContact CG-CE2 4.24Å; K507-Y512 PolarHBondContact NZ-OH 2.92Å; K509-Y512 HydrophobicContact CB-CD1 4.35Å; K509-Y512 HydrophobicContact CB-CD2 3.85Å; K509-Y512 HydrophobicContact CB-CE1 4.37Å; K509-Y512 HydrophobicContact CB-CE2 3.84Å; K509-Y512 HydrophobicContact CB-CG 4.1Å; K509-Y512 HydrophobicContact CD-CE1 4.16Å; K509-Y512 HydrophobicContact CD-CE2 4.05Å; K509-Y512 WeakPolarHBondContact CE-OH 3.36Å; K509-Y512 HydrophobicContact CG-CD2 4.18Å; K509-Y512 HydrophobicContact CG-CE2 3.66Å; K509-Y512 WeakPolarHBondContact O-CB 3.42Å; K509-Y512 PolarHBondContact O-N 2.82Å; P510-Y512 PolarHBondContact O-N 3.15Å; P510-Y512 VanDerWaalsContact O-N 3.15Å |
| 513 | I | 78.2 | Confident | 86.5 | Confident | 19 Ų | 19 | 26.5 Ų | 26.5 | 10% | 0.097 | 14% | 0.142 | C | C | . | . | S | Bend | trans | -93.7 | 119.7 | -175 | -61.5 | 153 | 0 | 0 | 0 | 108.3 | F473 I508 P510 G515 L516 L685 | F473-I513 HydrophobicContact CD1-CD1 4.38Å; F473-I513 HydrophobicContact CE1-CD1 3.52Å; F473-I513 HydrophobicContact CE2-CD1 4.23Å; F473-I513 HydrophobicContact CZ-CD1 3.42Å; F473-I513 VanDerWaalsContact CZ-CD1 3.42Å; I508-I513 HydrophobicContact CD1-CD1 3.99Å; I508-I513 HydrophobicContact CD1-CG1 4.36Å; I508-I513 HydrophobicContact CG1-CD1 3.98Å; I508-I513 HydrophobicContact CG1-CG1 4.36Å; P510-I513 PolarHBondContact O-N 3.04Å; I513-G515 PolarHBondContact O-N 3.32Å; I513-L516 HydrophobicContact CB-CB 4.06Å; I513-L516 HydrophobicContact CB-CD2 4.43Å; I513-L516 HydrophobicContact CD1-CD2 4.04Å; I513-L516 HydrophobicContact CG2-CB 4.07Å; I513-L516 HydrophobicContact CG2-CD1 4.39Å; I513-L516 PolarHBondContact O-N 2.91Å; I513-L685 HydrophobicContact CD1-CD1 3.89Å; I513-L685 HydrophobicContact CD1-CD2 3.66Å; I513-L685 HydrophobicContact CD1-CG 3.84Å; I513-L685 HydrophobicContact CG1-CD2 4.21Å; I513-L685 HydrophobicContact CG2-CD2 3.95Å |
| 514 | Q | 70.3 | Confident | 86.9 | Confident | 162 Ų | 162 | 26 Ų | 26 | 76% | 0.757 | 14% | 0.136 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | 129 | -177.3 | -173.1 | 174.2 | 1.5 | 0 | 0 | 111 | L516 | Q514-L516 VanDerWaalsContact C-N 3.31Å; Q514-L516 PolarHBondContact O-N 2.79Å |
| 515 | G | 70 | Confident | 87 | Confident | 39 Ų | 39 | 25.8 Ų | 25.8 | 40% | 0.402 | 13% | 0.134 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 81.7 | 0.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | I513 K683 | I513-G515 PolarHBondContact O-N 3.32Å; G515-K683 VanDerWaalsContact O-CD 3.27Å; G515-K683 WeakPolarHBondContact O-CD 3.11Å; G515-K683 WeakPolarHBondContact O-CE 3.48Å; G515-K683 PolarHBondContact O-NZ 2.88Å |
| 516 | L | 73.7 | Confident | 86.9 | Confident | 6 Ų | 6 | 25.4 Ų | 25.4 | 3% | 0.031 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | -35.5 | 178 | -156.8 | 85 | 0 | 0 | 0 | 113.1 | F473 P510 I513 Q514 T682 K683 | F473-L516 HydrophobicContact CE1-CD2 3.73Å; F473-L516 HydrophobicContact CZ-CD2 3.98Å; P510-L516 HydrophobicContact CB-CD2 3.84Å; P510-L516 HydrophobicContact CG-CD2 4.37Å; I513-L516 HydrophobicContact CB-CB 4.06Å; I513-L516 HydrophobicContact CB-CD2 4.43Å; I513-L516 HydrophobicContact CD1-CD2 4.04Å; I513-L516 HydrophobicContact CG2-CB 4.07Å; I513-L516 HydrophobicContact CG2-CD1 4.39Å; I513-L516 PolarHBondContact O-N 2.91Å; Q514-L516 VanDerWaalsContact C-N 3.31Å; Q514-L516 PolarHBondContact O-N 2.79Å; L516-T682 PolarHBondContact O-N 3.43Å; L516-K683 HydrophobicContact CD1-CB 3.86Å; L516-K683 WeakPolarHBondContact CD1-O 3.47Å; L516-K683 HydrophobicContact CG-CB 4.26Å; L516-K683 WeakPolarHBondContact CG-O 3.27Å |
| 517 | L | 76 | Confident | 86.8 | Confident | 11 Ų | 11 | 25.2 Ų | 25.2 | 6% | 0.058 | 13% | 0.132 | C | C | . | . | B | Isolated β-bridge | trans | -93.3 | 152.7 | 174.2 | -58.7 | -172.9 | 0 | 0 | 0 | 111.5 | P510 D511 G631 L680 A681 | P510-L517 HydrophobicContact CB-CD2 3.55Å; P510-L517 HydrophobicContact CB-CG 4.2Å; D511-L517 VanDerWaalsContact CA-CD1 3.45Å; D511-L517 HydrophobicContact CB-CD1 3.6Å; L517-G631 VanDerWaalsContact CD1-O 3.28Å; L517-G631 WeakPolarHBondContact CD1-O 3.27Å; L517-L680 VanDerWaalsContact CA-O 3.3Å; L517-L680 WeakPolarHBondContact CA-O 3.49Å; L517-L680 HydrophobicContact CB-CB 4.45Å; L517-L680 VanDerWaalsContact CD2-C 3.46Å; L517-L680 HydrophobicContact CD2-CB 4.25Å; L517-A681 HydrophobicContact CD2-CB 3.51Å; L517-A681 VanDerWaalsContact CD2-N 3.3Å |
| 518 | E | 79.5 | Confident | 86.5 | Confident | 67 Ų | 67 | 23.5 Ų | 23.5 | 31% | 0.313 | 12% | 0.124 | S | C | . | . | P | Polyproline II helix | trans | -79.7 | 133 | 168.6 | -62.8 | -163.5 | 174.7 | 0 | 0 | 112 | L672 L680 T682 | E518-L672 VanDerWaalsContact OE2-CD1 3.25Å; E518-L672 WeakPolarHBondContact OE2-CD1 3.45Å; E518-L680 PolarHBondContact N-O 3.05Å; E518-L680 VanDerWaalsContact N-O 3.08Å; E518-T682 HydrophobicContact CG-CG2 4.09Å; E518-T682 WeakPolarHBondContact CG-OG1 3.48Å; E518-T682 PolarHBondContact OE1-OG1 3.41Å |
| 519 | D | 88.2 | Confident | 85.9 | Confident | 52 Ų | 52 | 25.9 Ų | 25.9 | 28% | 0.278 | 13% | 0.134 | S | C | . | . | P | Polyproline II helix | trans | -92.2 | 147.8 | 173 | -65.6 | -28.4 | 0 | 0 | 0 | 110.6 | Q628 L629 H630 | D519-Q628 HydrophobicContact CB-CG 3.56Å; D519-Q628 PolarHBondContact OD2-NE2 2.83Å; D519-L629 CarbonylContact C-O 3.57Å; D519-L629 WeakPolarHBondContact CA-O 3.31Å; D519-H630 WeakPolarHBondContact OD1-CB 3.39Å; D519-H630 IonicContact OD1-CE1 2.63Å; D519-H630 IonicContact OD1-CG 3.76Å; D519-H630 IonicContact OD1-ND1 2.66Å; D519-H630 PolarHBondContact OD1-ND1 2.75Å |
| 520 | L | 92.9 | Very high | 84.6 | Confident | 6 Ų | 6 | 26.7 Ų | 26.7 | 3% | 0.031 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 122.9 | -173.6 | -55.9 | -178.1 | 0 | 0 | 0 | 111 | C522 F569 L629 L634 L646 L664 L669 L672 L680 | L520-C522 PolarHBondContact O-N 3.17Å; L520-F569 HydrophobicContact CD1-CE1 3.98Å; L520-F569 HydrophobicContact CD1-CZ 3.98Å; L520-L629 PolarHBondContact N-O 3.24Å; L520-L629 PolarHBondContact O-N 2.92Å; L520-L634 HydrophobicContact CD1-CD2 4.07Å; L520-L646 HydrophobicContact CD1-CD1 4.19Å; L520-L646 HydrophobicContact CD1-CD2 4.36Å; L520-L664 HydrophobicContact CB-CD2 4.09Å; L520-L664 HydrophobicContact CD1-CD2 4.43Å; L520-L664 HydrophobicContact CD2-CD2 4.07Å; L520-L664 HydrophobicContact CG-CD2 4.42Å; L520-L669 HydrophobicContact CD1-CD1 4.29Å; L520-L672 HydrophobicContact CD2-CD2 3.42Å; L520-L672 VanDerWaalsContact CD2-CD2 3.42Å; L520-L680 HydrophobicContact CD1-CD1 4.45Å |
| 521 | D | 96 | Very high | 83 | Confident | 22 Ų | 22 | 31.2 Ų | 31.2 | 12% | 0.118 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 94.7 | 179.2 | -70.4 | -41.5 | 0 | 0 | 0 | 111.4 | V626 Q628 R655 K658 S663 L664 | D521-V626 HydrophobicContact CB-CG1 3.89Å; D521-Q628 WeakPolarHBondContact OD1-CB 3.15Å; D521-R655 IonicContact OD1-CZ 2.8Å; D521-R655 IonicContact OD1-NH1 3.73Å; D521-R655 PolarHBondContact OD1-NH1 2.82Å; D521-R655 IonicContact OD2-CZ 2.92Å; D521-R655 IonicContact OD2-NH1 3.47Å; D521-R655 PolarHBondContact OD2-NH1 3.11Å; D521-K658 HydrophobicContact CB-CD 4.19Å; D521-K658 VanDerWaalsContact OD2-CE 3.25Å; D521-K658 WeakPolarHBondContact OD2-CE 3.49Å; D521-K658 IonicContact OD2-NZ 3.94Å; D521-K658 PolarHBondContact OD2-NZ 3.21Å; D521-S663 WeakPolarHBondContact O-CA 3.25Å; D521-L664 WeakPolarHBondContact O-CB 3.26Å; D521-L664 PolarHBondContact O-N 2.9Å |
| 522 | C | 96.7 | Very high | 81.3 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 147.5 | -174.6 | -57.4 | 0 | 0 | 0 | 0 | 112.3 | L520 C545 L627 L629 | L520-C522 PolarHBondContact O-N 3.17Å; C522-C545 HydrophobicContact CB-CB 3.87Å; C522-L627 PolarHBondContact N-O 2.94Å; C522-L627 PolarHBondContact O-N 2.87Å; C522-L629 HydrophobicContact CB-CD1 3.77Å; C522-L629 HydrophobicContact CB-CG 4.27Å |
| 523 | L | 97.4 | Very high | 79.7 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 134.7 | -179.3 | -173.7 | 67.5 | 0 | 0 | 0 | 111.6 | V525 C545 A546 F566 P621 V626 W660 | L523-V525 HydrophobicContact CD2-CG1 4.35Å; L523-V525 HydrophobicContact CG-CG1 4.49Å; L523-V525 PolarHBondContact O-N 2.86Å; L523-C545 CarbonylContact O-C 3.53Å; L523-C545 WeakPolarHBondContact O-CA 3.09Å; L523-A546 PolarHBondContact N-O 2.98Å; L523-A546 PolarHBondContact O-N 3.06Å; L523-F566 HydrophobicContact CB-CE1 4.22Å; L523-F566 HydrophobicContact CD2-CD1 3.86Å; L523-F566 HydrophobicContact CD2-CE1 3.41Å; L523-F566 VanDerWaalsContact CD2-CE1 3.41Å; L523-F566 HydrophobicContact CD2-CE2 4.37Å; L523-F566 HydrophobicContact CD2-CZ 3.73Å; L523-F566 HydrophobicContact CG-CE1 4.46Å; L523-P621 HydrophobicContact CD2-CB 3.87Å; L523-P621 HydrophobicContact CD2-CG 4.49Å; L523-V626 HydrophobicContact CD1-CG2 3.89Å; L523-W660 HydrophobicContact CD1-CB 3.72Å; L523-W660 HydrophobicContact CD2-CB 3.77Å; L523-W660 HydrophobicContact CG-CB 4.4Å |
| 524 | I | 97.3 | Very high | 78 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 129.4 | 168.2 | -60.5 | 171.8 | 0 | 0 | 0 | 109.1 | F543 L588 W592 I619 S624 L625 L627 | I524-F543 HydrophobicContact CD1-CD1 4.15Å; I524-F543 HydrophobicContact CD1-CG 4.32Å; I524-F543 HydrophobicContact CG1-CB 4.38Å; I524-F543 HydrophobicContact CG2-CB 4.32Å; I524-F543 HydrophobicContact CG2-CD1 4.04Å; I524-L588 HydrophobicContact CD1-CD1 3.89Å; I524-L588 HydrophobicContact CG2-CD1 4.4Å; I524-W592 HydrophobicContact CG2-CH2 3.76Å; I524-I619 HydrophobicContact CG2-CG2 4.34Å; I524-S624 WeakPolarHBondContact CB-OG 3.36Å; I524-S624 VanDerWaalsContact O-CB 3.31Å; I524-S624 WeakPolarHBondContact O-CB 3.09Å; I524-S624 PolarHBondContact O-OG 3.33Å; I524-L625 HydrophobicContact CD1-CB 4.23Å; I524-L625 WeakPolarHBondContact CG1-O 3.3Å; I524-L625 PolarHBondContact N-O 3.46Å; I524-L627 HydrophobicContact CD1-CD1 3.66Å; I524-L627 HydrophobicContact CD1-CD2 4.14Å; I524-L627 HydrophobicContact CD1-CG 3.79Å; I524-L627 HydrophobicContact CG1-CD1 3.66Å; I524-L627 HydrophobicContact CG1-CG 3.8Å |
| 525 | V | 96.4 | Very high | 76.3 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | -17.7 | 176.3 | -68 | 0 | 0 | 0 | 0 | 112.8 | L523 L544 A546 F566 T568 W607 L608 W618 I619 | L523-V525 HydrophobicContact CD2-CG1 4.35Å; L523-V525 HydrophobicContact CG-CG1 4.49Å; L523-V525 PolarHBondContact O-N 2.86Å; V525-L544 HydrophobicContact CG2-CB 4.41Å; V525-L544 HydrophobicContact CG2-CD2 4.31Å; V525-L544 HydrophobicContact CG2-CG 4Å; V525-L544 WeakPolarHBondContact CG2-O 3.06Å; V525-L544 PolarHBondContact N-O 2.86Å; V525-A546 HydrophobicContact CB-CB 4.28Å; V525-A546 HydrophobicContact CG1-CB 3.57Å; V525-A546 HydrophobicContact CG2-CB 3.71Å; V525-F566 HydrophobicContact CG1-CB 4.47Å; V525-T568 HydrophobicContact CG2-CG2 4.41Å; V525-W607 HydrophobicContact CB-CH2 4.31Å; V525-W607 HydrophobicContact CB-CZ3 4.46Å; V525-W607 HydrophobicContact CG1-CH2 4.2Å; V525-W607 HydrophobicContact CG1-CZ3 3.97Å; V525-L608 HydrophobicContact CB-CD1 3.83Å; V525-L608 HydrophobicContact CB-CD2 4.36Å; V525-L608 HydrophobicContact CG1-CD1 4.1Å; V525-L608 HydrophobicContact CG2-CD1 3.8Å; V525-W618 WeakPolarHBondContact O-CA 3.35Å; V525-I619 PolarHBondContact O-N 2.91Å; V525-I619 VanDerWaalsContact O-N 3.13Å |
| 526 | G | 94.5 | Very high | 75.2 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 169.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | F543 L544 V617 | G526-F543 WeakPolarHBondContact O-CA 3.42Å; G526-L544 PolarHBondContact N-O 2.9Å; G526-L544 PolarHBondContact O-N 3.26Å; G526-V617 CarbonylContact C-O 3.52Å; G526-V617 WeakPolarHBondContact CA-O 3.02Å |
| 527 | G | 93 | Very high | 74.1 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 150.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | H542 D616 V617 | G527-H542 WeakPolarHBondContact CA-O 3.25Å; G527-D616 PolarHBondContact O-N 3.04Å; G527-V617 PolarHBondContact N-O 2.97Å; G527-V617 PolarHBondContact O-N 3.09Å |
| 528 | Y | 90.1 | Very high | 73.2 | Confident | 14 Ų | 14 | 45.1 Ų | 45.1 | 6% | 0.055 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 134.8 | 171.2 | -48.7 | -101.5 | 0 | 0 | 0 | 109.9 | N541 H542 L544 K571 E613 R614 P615 D616 | Y528-N541 PolarHBondContact O-N 3.23Å; Y528-H542 HydrophobicContact CD2-CB 3.85Å; Y528-H542 WeakPolarHBondContact CD2-O 3.32Å; Y528-H542 HydrophobicContact CG-CB 4.34Å; Y528-H542 PolarHBondContact N-O 2.93Å; Y528-L544 HydrophobicContact CE2-CB 3.93Å; Y528-K571 VanDerWaalsContact CD1-NZ 3.31Å; Y528-K571 HydrophobicContact CD2-CD 4.21Å; Y528-K571 HydrophobicContact CD2-CG 4.32Å; Y528-K571 VanDerWaalsContact CE1-NZ 3.26Å; Y528-K571 HydrophobicContact CE2-CD 3.81Å; Y528-K571 VanDerWaalsContact CE2-CE 3.45Å; Y528-K571 HydrophobicContact CE2-CG 3.86Å; Y528-E613 WeakPolarHBondContact CE1-OE1 3.49Å; Y528-E613 VanDerWaalsContact OH-CG 3.27Å; Y528-E613 WeakPolarHBondContact OH-CG 3.3Å; Y528-E613 PolarHBondContact OH-OE1 3.31Å; Y528-R614 WeakPolarHBondContact CE1-O 3.42Å; Y528-P615 HydrophobicContact CE1-CB 4.48Å; Y528-D616 WeakPolarHBondContact CA-OD2 3.45Å |
| 529 | F | 81.2 | Confident | 72.9 | Confident | 50 Ų | 50 | 48.2 Ų | 48.2 | 22% | 0.219 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 143.8 | 175.5 | -62.6 | -62.5 | 0 | 0 | 0 | 110.3 | H531 I536 V540 D616 V617 | F529-H531 PolarHBondContact O-N 2.91Å; F529-I536 HydrophobicContact CB-CG2 3.9Å; F529-I536 HydrophobicContact CD1-CG2 4.46Å; F529-I536 HydrophobicContact CD2-CG2 4.28Å; F529-I536 HydrophobicContact CG-CG2 3.96Å; F529-V540 HydrophobicContact CD1-CG2 4.4Å; F529-V540 HydrophobicContact CE1-CG2 4.26Å; F529-D616 HydrophobicContact CD2-CB 3.67Å; F529-D616 HydrophobicContact CE2-CB 3.8Å; F529-D616 PolarHBondContact N-OD2 2.78Å; F529-V617 HydrophobicContact CE1-CG1 4.45Å; F529-V617 HydrophobicContact CE2-CG1 3.84Å; F529-V617 HydrophobicContact CZ-CG1 3.49Å; F529-V617 VanDerWaalsContact CZ-CG1 3.49Å; F529-V617 HydrophobicContact CZ-CG2 4.39Å |
| 530 | H | 62.9 | Low | 72.6 | Confident | 44 Ų | 44 | 45.8 Ų | 45.8 | 20% | 0.204 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 119.3 | 174.6 | -163.8 | 85.2 | 0 | 0 | 0 | 109.8 | I537 R539 N541 H542 | H530-I537 PolarHBondContact O-N 2.71Å; H530-R539 PolarHBondContact N-O 3.3Å; H530-N541 HydrophobicContact CB-CB 3.89Å; H530-N541 WeakPolarHBondContact CB-ND2 3.38Å; H530-N541 PolarHBondContact ND1-ND2 3.49Å; H530-H542 AromaticContact ND1-CE1 3.62Å |
| 531 | H | 50.5 | Low | 72.1 | Confident | 109 Ų | 109 | 46.9 Ų | 46.9 | 51% | 0.505 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 107.2 | 165.5 | -61.7 | -73.6 | 0 | 0 | 0 | 108.3 | F529 G533 K535 | F529-H531 PolarHBondContact O-N 2.91Å; H531-G533 CarbonylContact C-O 3.59Å; H531-G533 WeakPolarHBondContact CB-O 3.4Å; H531-K535 WeakPolarHBondContact CA-O 3.41Å |
| 532 | R | 41.7 | Very low | 71.8 | Confident | 181 Ų | 181 | 47.7 Ų | 47.7 | 68% | 0.683 | 24% | 0.236 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 93.9 | 166.8 | -139.8 | -169.1 | -90.3 | -160.1 | -2.9 | 107.4 | K535 I537 | R532-K535 PolarHBondContact N-O 3.45Å; R532-I537 HydrophobicContact CB-CD1 4.23Å |
| 533 | G | 48.3 | Very low | 71.7 | Confident | 57 Ų | 57 | 47.9 Ų | 47.9 | 59% | 0.588 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 64.4 | -139.1 | -157.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | H531 K535 | H531-G533 CarbonylContact C-O 3.59Å; H531-G533 WeakPolarHBondContact CB-O 3.4Å; G533-K535 VanDerWaalsContact C-N 3.31Å; G533-K535 PolarHBondContact O-N 2.81Å |
| 534 | D | 40.7 | Very low | 71.7 | Confident | 55 Ų | 55 | 47.9 Ų | 47.9 | 29% | 0.294 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | 5.4 | -178 | -60.2 | -61.3 | 0 | 0 | 0 | 114.6 | I115 P117 I536 | I115-D534 HydrophobicContact CB-CB 3.55Å; I115-D534 WeakPolarHBondContact CD1-OD1 3.35Å; I115-D534 VanDerWaalsContact CD1-OD2 3.32Å; I115-D534 WeakPolarHBondContact CD1-OD2 3.34Å; I115-D534 HydrophobicContact CG1-CB 4.5Å; I115-D534 HydrophobicContact CG2-CB 3.09Å; I115-D534 VanDerWaalsContact CG2-OD2 3.27Å; I115-D534 WeakPolarHBondContact CG2-OD2 3.34Å; P117-D534 WeakPolarHBondContact CA-O 3.36Å; P117-D534 WeakPolarHBondContact CB-O 3.48Å; D534-I536 PolarHBondContact O-N 2.86Å |
| 535 | K | 36.3 | Very low | 71.7 | Confident | 48 Ų | 48 | 47.9 Ų | 47.9 | 21% | 0.209 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 120 | 178.3 | -67.7 | 170.5 | 177.9 | -97.2 | 0 | 110.8 | H121 H531 R532 G533 I537 | H121-K535 VanDerWaalsContact N-NZ 3.16Å; H121-K535 WeakPolarHBondContact O-CE 3.13Å; H121-K535 PolarHBondContact O-NZ 3.32Å; H531-K535 WeakPolarHBondContact CA-O 3.41Å; R532-K535 PolarHBondContact N-O 3.45Å; G533-K535 VanDerWaalsContact C-N 3.31Å; G533-K535 PolarHBondContact O-N 2.81Å; K535-I537 PolarHBondContact O-N 3.01Å |
| 536 | I | 45.9 | Very low | 71.8 | Confident | 64 Ų | 64 | 47.9 Ų | 47.9 | 33% | 0.328 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 105.6 | 159.1 | -69.6 | 172 | 0 | 0 | 0 | 106.5 | P117 F529 D534 | P117-I536 HydrophobicContact CB-CB 3.7Å; P117-I536 HydrophobicContact CB-CD1 3.57Å; P117-I536 HydrophobicContact CB-CG1 3.41Å; P117-I536 VanDerWaalsContact CB-CG1 3.41Å; P117-I536 HydrophobicContact CG-CB 4.46Å; P117-I536 HydrophobicContact CG-CD1 3.42Å; P117-I536 VanDerWaalsContact CG-CD1 3.42Å; P117-I536 HydrophobicContact CG-CG1 3.9Å; F529-I536 HydrophobicContact CB-CG2 3.9Å; F529-I536 HydrophobicContact CD1-CG2 4.46Å; F529-I536 HydrophobicContact CD2-CG2 4.28Å; F529-I536 HydrophobicContact CG-CG2 3.96Å; D534-I536 PolarHBondContact O-N 2.86Å |
| 537 | I | 51.7 | Low | 71.8 | Confident | 59 Ų | 59 | 47.9 Ų | 47.9 | 30% | 0.303 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 120.9 | 160.8 | -55.4 | 176.5 | 0 | 0 | 0 | 104.6 | H530 R532 K535 R539 | H530-I537 PolarHBondContact O-N 2.71Å; R532-I537 HydrophobicContact CB-CD1 4.23Å; K535-I537 PolarHBondContact O-N 3.01Å; I537-R539 HydrophobicContact CG2-CB 3.92Å; I537-R539 HydrophobicContact CG2-CG 4.03Å; I537-R539 PolarHBondContact O-N 3.18Å |
| 538 | T | 55.4 | Low | 71.9 | Confident | 120 Ų | 120 | 50.2 Ų | 50.2 | 74% | 0.736 | 25% | 0.246 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -61.3 | 7.4 | 178.5 | 52.2 | 0 | 0 | 0 | 0 | 114.2 | ||
| 539 | R | 73.3 | Confident | 71.9 | Confident | 131 Ų | 131 | 50.7 Ų | 50.7 | 49% | 0.494 | 25% | 0.25 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 133.2 | 175.3 | -62.3 | -175 | -178.1 | -170.5 | -1.3 | 109.5 | H530 I537 N585 | H530-R539 PolarHBondContact N-O 3.3Å; I537-R539 HydrophobicContact CG2-CB 3.92Å; I537-R539 HydrophobicContact CG2-CG 4.03Å; I537-R539 PolarHBondContact O-N 3.18Å; R539-N585 WeakPolarHBondContact CA-OD1 3.41Å |
| 540 | V | 82.3 | Confident | 71.7 | Confident | 1 Ų | 1 | 51.6 Ų | 51.6 | 1% | 0.006 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 119.5 | 174.7 | 175.8 | 0 | 0 | 0 | 0 | 107.7 | F529 H542 F543 N585 W592 V617 | F529-V540 HydrophobicContact CD1-CG2 4.4Å; F529-V540 HydrophobicContact CE1-CG2 4.26Å; V540-H542 WeakPolarHBondContact CG1-O 3.31Å; V540-F543 HydrophobicContact CB-CE1 4.17Å; V540-F543 HydrophobicContact CG1-CD1 3.68Å; V540-F543 HydrophobicContact CG1-CE1 3.47Å; V540-F543 VanDerWaalsContact CG1-CE1 3.47Å; V540-F543 HydrophobicContact CG1-CZ 4.2Å; V540-N585 PolarHBondContact N-OD1 3.1Å; V540-N585 PolarHBondContact O-ND2 3.45Å; V540-N585 PolarHBondContact O-OD1 3.25Å; V540-W592 HydrophobicContact CB-CZ2 4.45Å; V540-W592 HydrophobicContact CG1-CZ2 4.3Å; V540-W592 HydrophobicContact CG2-CD2 4.43Å; V540-W592 HydrophobicContact CG2-CZ2 4.32Å; V540-V617 HydrophobicContact CG2-CG2 3.81Å |
| 541 | N | 82.9 | Confident | 71.7 | Confident | 30 Ų | 30 | 56.6 Ų | 56.6 | 16% | 0.16 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | -9.8 | 177.6 | -67.2 | -6.3 | 0 | 0 | 0 | 113.2 | Y528 H530 L581 | Y528-N541 PolarHBondContact O-N 3.23Å; H530-N541 HydrophobicContact CB-CB 3.89Å; H530-N541 WeakPolarHBondContact CB-ND2 3.38Å; H530-N541 PolarHBondContact ND1-ND2 3.49Å; N541-L581 HydrophobicContact CB-CD2 4.36Å |
| 542 | H | 89.7 | Confident | 71.7 | Confident | 39 Ų | 39 | 53 Ų | 53 | 18% | 0.181 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 134.8 | 172.7 | -49.1 | 72.7 | 0 | 0 | 0 | 106.9 | G527 Y528 H530 V540 K571 V572 K573 | G527-H542 WeakPolarHBondContact CA-O 3.25Å; Y528-H542 HydrophobicContact CD2-CB 3.85Å; Y528-H542 WeakPolarHBondContact CD2-O 3.32Å; Y528-H542 HydrophobicContact CG-CB 4.34Å; Y528-H542 PolarHBondContact N-O 2.93Å; H530-H542 AromaticContact ND1-CE1 3.62Å; V540-H542 WeakPolarHBondContact CG1-O 3.31Å; H542-K571 HydrophobicContact CB-CG 4.44Å; H542-V572 CarbonylContact C-O 3.58Å; H542-V572 VanDerWaalsContact CA-O 3.31Å; H542-V572 WeakPolarHBondContact CA-O 3.38Å; H542-K573 HydrophobicContact CB-CB 4.42Å; H542-K573 WeakPolarHBondContact CD2-CB 3.41Å |
| 543 | F | 94.8 | Very high | 71.9 | Confident | 3 Ų | 3 | 51.6 Ų | 51.6 | 1% | 0.013 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 139.1 | -178.4 | -56.6 | -77.5 | 0 | 0 | 0 | 109.3 | I524 G526 V540 K571 V572 L576 L581 I584 W592 | I524-F543 HydrophobicContact CD1-CD1 4.15Å; I524-F543 HydrophobicContact CD1-CG 4.32Å; I524-F543 HydrophobicContact CG1-CB 4.38Å; I524-F543 HydrophobicContact CG2-CB 4.32Å; I524-F543 HydrophobicContact CG2-CD1 4.04Å; G526-F543 WeakPolarHBondContact O-CA 3.42Å; V540-F543 HydrophobicContact CB-CE1 4.17Å; V540-F543 HydrophobicContact CG1-CD1 3.68Å; V540-F543 HydrophobicContact CG1-CE1 3.47Å; V540-F543 VanDerWaalsContact CG1-CE1 3.47Å; V540-F543 HydrophobicContact CG1-CZ 4.2Å; F543-K571 WeakPolarHBondContact O-CA 3.19Å; F543-V572 HydrophobicContact CB-CG1 4.14Å; F543-V572 PolarHBondContact N-O 2.98Å; F543-V572 PolarHBondContact O-N 3.25Å; F543-L576 HydrophobicContact CD2-CD1 4.34Å; F543-L576 HydrophobicContact CE2-CD1 3.75Å; F543-L581 HydrophobicContact CE2-CD1 3.84Å; F543-L581 HydrophobicContact CZ-CD1 3.87Å; F543-I584 HydrophobicContact CE1-CG2 3.76Å; F543-I584 HydrophobicContact CE2-CG2 4.45Å; F543-I584 HydrophobicContact CZ-CB 4.46Å; F543-I584 HydrophobicContact CZ-CG2 3.56Å; F543-W592 HydrophobicContact CD1-CH2 4.45Å; F543-W592 HydrophobicContact CD1-CZ2 4.38Å; F543-W592 HydrophobicContact CE1-CZ2 4.23Å |
| 544 | L | 97 | Very high | 71.2 | Confident | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 122.1 | 167 | -178.2 | 61.2 | 0 | 0 | 0 | 107.4 | V525 G526 Y528 T568 P615 Y640 | V525-L544 HydrophobicContact CG2-CB 4.41Å; V525-L544 HydrophobicContact CG2-CD2 4.31Å; V525-L544 HydrophobicContact CG2-CG 4Å; V525-L544 WeakPolarHBondContact CG2-O 3.06Å; V525-L544 PolarHBondContact N-O 2.86Å; G526-L544 PolarHBondContact N-O 2.9Å; G526-L544 PolarHBondContact O-N 3.26Å; Y528-L544 HydrophobicContact CE2-CB 3.93Å; L544-T568 HydrophobicContact CD1-CG2 4.26Å; L544-T568 HydrophobicContact CD2-CG2 3.71Å; L544-T568 HydrophobicContact CG-CG2 4.04Å; L544-P615 HydrophobicContact CD2-CB 4.04Å; L544-P615 HydrophobicContact CD2-CG 3.85Å; L544-Y640 HydrophobicContact CD1-CD1 4.11Å; L544-Y640 HydrophobicContact CD1-CE1 3.83Å |
| 545 | C | 97.5 | Very high | 70.9 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 150.5 | 179.8 | -61.7 | 0 | 0 | 0 | 0 | 110.9 | C522 L523 F569 C570 L629 | C522-C545 HydrophobicContact CB-CB 3.87Å; L523-C545 CarbonylContact O-C 3.53Å; L523-C545 WeakPolarHBondContact O-CA 3.09Å; C545-F569 PolarHBondContact O-N 2.66Å; C545-C570 PolarHBondContact N-O 2.83Å; C545-C570 PolarHBondContact O-N 2.98Å; C545-L629 HydrophobicContact CB-CD1 4.02Å |
| 546 | A | 97.3 | Very high | 70.9 | Confident | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 160.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | L523 V525 F566 Y567 | L523-A546 PolarHBondContact N-O 2.98Å; L523-A546 PolarHBondContact O-N 3.06Å; V525-A546 HydrophobicContact CB-CB 4.28Å; V525-A546 HydrophobicContact CG1-CB 3.57Å; V525-A546 HydrophobicContact CG2-CB 3.71Å; A546-F566 HydrophobicContact CB-CB 4.06Å; A546-F566 HydrophobicContact CB-CD1 4.22Å; A546-Y567 CarbonylContact C-O 3.55Å; A546-Y567 WeakPolarHBondContact CA-O 3.23Å; A546-Y567 WeakPolarHBondContact CB-O 3.27Å |
| 547 | V | 95.9 | Very high | 70.5 | Confident | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 153.8 | 169.3 | -58.6 | 0 | 0 | 0 | 0 | 110.4 | F566 Y567 F569 C642 L664 M666 L669 | V547-F566 CarbonylContact O-C 3.59Å; V547-F566 WeakPolarHBondContact O-CA 3.45Å; V547-Y567 PolarHBondContact N-O 2.84Å; V547-Y567 PolarHBondContact O-N 2.95Å; V547-F569 HydrophobicContact CG1-CB 4.17Å; V547-F569 HydrophobicContact CG1-CD1 4.42Å; V547-F569 HydrophobicContact CG1-CG 4.21Å; V547-C642 WeakPolarHBondContact CG2-SG 3.35Å; V547-L664 CarbonylContact C-O 3.5Å; V547-L664 WeakPolarHBondContact CA-O 3.44Å; V547-L664 VanDerWaalsContact CB-O 3.31Å; V547-L664 WeakPolarHBondContact CB-O 3.27Å; V547-L664 HydrophobicContact CG1-CB 4.27Å; V547-L664 HydrophobicContact CG1-CD2 3.96Å; V547-L664 HydrophobicContact CG1-CG 4.19Å; V547-M666 HydrophobicContact CG2-SD 3.85Å; V547-L669 HydrophobicContact CG1-CD2 4.04Å; V547-L669 HydrophobicContact CG2-CD2 4.38Å |
| 548 | R | 94.5 | Very high | 69.8 | Low | 49 Ų | 49 | 68.2 Ų | 68.2 | 19% | 0.185 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 143.4 | -176 | -172.2 | -178.9 | 59.3 | 79.4 | -2.2 | 111 | T564 F566 R661 L664 S665 M666 | R548-T564 HydrophobicContact CG-CG2 3.69Å; R548-F566 HydrophobicContact CB-CD1 4.37Å; R548-F566 HydrophobicContact CB-CE1 3.72Å; R548-F566 HydrophobicContact CB-CZ 4.03Å; R548-F566 HydrophobicContact CG-CE1 4.05Å; R548-F566 HydrophobicContact CG-CZ 3.83Å; R548-R661 PolarHBondContact NE-O 2.69Å; R548-L664 PolarHBondContact N-O 2.77Å; R548-S665 CarbonylContact O-C 3.51Å; R548-S665 VanDerWaalsContact O-CA 3.29Å; R548-S665 WeakPolarHBondContact O-CA 3.24Å; R548-M666 PolarHBondContact O-N 3.1Å |
| 549 | N | 89.3 | Confident | 69 | Low | 25 Ų | 25 | 69.8 Ų | 69.8 | 13% | 0.134 | 35% | 0.35 | C | S | . | . | trans | -74.2 | 146.2 | 166.4 | -163.4 | 18.3 | 0 | 0 | 0 | 111.7 | R565 Y567 | N549-R565 HydrophobicContact CB-CB 4.16Å; N549-R565 WeakPolarHBondContact CB-O 3.25Å; N549-R565 PolarHBondContact N-O 3.4Å; N549-Y567 HydrophobicContact CB-CD2 4.39Å; N549-Y567 HydrophobicContact CB-CE2 3.74Å | ||
| 550 | D | 78.7 | Confident | 67.1 | Low | 68 Ų | 68 | 69.2 Ų | 69.2 | 36% | 0.364 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -77.8 | -23.6 | -179.5 | -71.9 | -57.4 | 0 | 0 | 0 | 113.9 | S665 S667 | D550-S665 WeakPolarHBondContact OD1-CB 2.78Å; D550-S665 PolarHBondContact OD1-OG 2.91Å; D550-S667 PolarHBondContact OD1-OG 3.27Å; D550-S667 WeakPolarHBondContact OD2-CB 3.44Å; D550-S667 PolarHBondContact OD2-N 3.19Å; D550-S667 PolarHBondContact OD2-OG 3.22Å |
| 551 | E | 62.9 | Low | 65.1 | Low | 149 Ų | 149 | 77 Ų | 77 | 70% | 0.696 | 39% | 0.39 | S | S | * | . | trans | -79.5 | 137.8 | -176.7 | -62.7 | -175.9 | 154.8 | 0 | 0 | 113.1 | ||||
| 552 | S | 49.2 | Very low | 63.6 | Low | 35 Ų | 35 | 80 Ų | 80 | 25% | 0.245 | 41% | 0.41 | C | S | . | . | trans | 94 | 87.9 | 172.7 | 69.6 | 0 | 0 | 0 | 0 | 118.8 | T562 | S552-T562 WeakPolarHBondContact CB-OG1 3.25Š| ||
| 553 | Y | 46.8 | Very low | 62.4 | Low | 150 Ų | 150 | 83.2 Ų | 83.2 | 59% | 0.588 | 43% | 0.428 | S | S | * | . | trans | -143.2 | 75.3 | 133 | -84.6 | -80 | 0 | 0 | 0 | 109 | R661 | Y553-R661 PolarHBondContact OH-NE 2.92Š| ||
| 554 | E | 34 | Very low | 61.5 | Low | 174 Ų | 174 | 83.9 Ų | 83.9 | 81% | 0.813 | 43% | 0.432 | S | S | * | . | trans | -162.1 | 72.4 | 162.9 | -111.4 | 174.1 | -141.1 | 0 | 0 | 109.5 | ||||
| 555 | S | 34.1 | Very low | 61.1 | Low | 60 Ų | 60 | 89.7 Ų | 89.7 | 42% | 0.42 | 45% | 0.454 | S | S | . | . | trans | -122.4 | 108 | 154.8 | 52.4 | 0 | 0 | 0 | 0 | 108.1 | S557 N560 | S555-S557 PolarHBondContact O-N 3.42Å; S555-S557 VanDerWaalsContact O-N 3.09Å; S555-N560 PolarHBondContact OG-O 2.99Å | ||
| 556 | T | 35.2 | Very low | 61 | Low | 154 Ų | 154 | 89.7 Ų | 89.7 | 95% | 0.945 | 45% | 0.454 | S | S | * | . | trans | -74.4 | 25.6 | 175.6 | 34.8 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 557 | S | 37.2 | Very low | 60.9 | Low | 60 Ų | 60 | 92.4 Ų | 92.4 | 42% | 0.42 | 47% | 0.465 | S | S | . | . | S | Bend | trans | -135 | 120.4 | -178.8 | 54.8 | 0 | 0 | 0 | 0 | 108.5 | S555 D559 N560 | S555-S557 PolarHBondContact O-N 3.42Å; S555-S557 VanDerWaalsContact O-N 3.09Å; S557-D559 PolarHBondContact O-N 3.02Å; S557-N560 PolarHBondContact O-N 2.72Å |
| 558 | E | 38.3 | Very low | 60.9 | Low | 185 Ų | 185 | 92.4 Ų | 92.4 | 86% | 0.864 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | -10.2 | -179.2 | -71.4 | -176.5 | 147.3 | 0 | 0 | 113.9 | ||
| 559 | D | 38 | Very low | 61 | Low | 152 Ų | 152 | 90 Ų | 90 | 81% | 0.813 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.2 | 0.2 | -172.3 | -68.2 | -34.5 | 0 | 0 | 0 | 116.4 | S557 | S557-D559 PolarHBondContact O-N 3.02Š|
| 560 | N | 34.6 | Very low | 61.3 | Low | 119 Ų | 119 | 88.9 Ų | 88.9 | 64% | 0.636 | 45% | 0.45 | S | S | * | . | trans | -133.9 | 81.1 | 177.1 | -91.7 | -30.1 | 0 | 0 | 0 | 112.2 | S555 S557 T562 | S555-N560 PolarHBondContact OG-O 2.99Å; S557-N560 PolarHBondContact O-N 2.72Å; N560-T562 PolarHBondContact O-N 2.66Å | ||
| 561 | F | 38.3 | Very low | 62.1 | Low | 164 Ų | 164 | 88.5 Ų | 88.5 | 72% | 0.719 | 45% | 0.445 | S | S | * | . | trans | -74.6 | 96.3 | 167.4 | -89.2 | -88.5 | 0 | 0 | 0 | 110 | L563 | F561-L563 PolarHBondContact O-N 3.15Å; F561-L563 VanDerWaalsContact O-N 3.14Å | ||
| 562 | T | 52 | Low | 63.5 | Low | 94 Ų | 94 | 81.5 Ų | 81.5 | 58% | 0.577 | 41% | 0.412 | S | S | * | . | trans | -65.4 | 111.1 | 159.1 | 41.4 | 0 | 0 | 0 | 0 | 108.2 | S552 N560 T564 | S552-T562 WeakPolarHBondContact CB-OG1 3.25Å; N560-T562 PolarHBondContact O-N 2.66Å; T562-T564 PolarHBondContact O-N 2.92Å | ||
| 563 | L | 64 | Low | 65.4 | Low | 107 Ų | 107 | 87.1 Ų | 87.1 | 56% | 0.56 | 43% | 0.432 | S | S | * | . | P | Polyproline II helix | trans | -64.1 | 121.4 | 179.5 | -74.5 | 160.5 | 0 | 0 | 0 | 109.7 | F561 R565 W607 | F561-L563 PolarHBondContact O-N 3.15Å; F561-L563 VanDerWaalsContact O-N 3.14Å; L563-R565 PolarHBondContact O-N 3.24Å; L563-R565 VanDerWaalsContact O-N 3.11Å; L563-W607 HydrophobicContact CB-CB 4.24Å |
| 564 | T | 76.9 | Confident | 67.2 | Low | 16 Ų | 16 | 82.7 Ų | 82.7 | 10% | 0.098 | 42% | 0.423 | C | S | . | . | P | Polyproline II helix | trans | -55.1 | 118.9 | 172.2 | -50.9 | 0 | 0 | 0 | 0 | 109.5 | R548 T562 F566 W660 | R548-T564 HydrophobicContact CG-CG2 3.69Å; T562-T564 PolarHBondContact O-N 2.92Å; T564-F566 HydrophobicContact CG2-CE2 4.14Å; T564-W660 HydrophobicContact CG2-CZ3 4.23Å |
| 565 | R | 89.4 | Confident | 69.3 | Low | 123 Ų | 123 | 75 Ų | 75 | 46% | 0.464 | 39% | 0.391 | S | S | . | . | P | Polyproline II helix | trans | -80.9 | 149.3 | -179.7 | -70.2 | -176.2 | 175.8 | 164.1 | -1.2 | 111.7 | N549 L563 W607 | N549-R565 HydrophobicContact CB-CB 4.16Å; N549-R565 WeakPolarHBondContact CB-O 3.25Å; N549-R565 PolarHBondContact N-O 3.4Å; L563-R565 PolarHBondContact O-N 3.24Å; L563-R565 VanDerWaalsContact O-N 3.11Å; R565-W607 CarbonylContact C-O 3.59Å; R565-W607 VanDerWaalsContact CA-O 3.28Å; R565-W607 WeakPolarHBondContact CA-O 3.34Å |
| 566 | F | 94.6 | Very high | 71.7 | Confident | 0 Ų | 0 | 73.4 Ų | 73.4 | 0% | 0 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 129.1 | 176 | -80.7 | -89.9 | 0 | 0 | 0 | 110.4 | L523 V525 A546 V547 R548 T564 W607 L608 C609 P621 W660 | L523-F566 HydrophobicContact CB-CE1 4.22Å; L523-F566 HydrophobicContact CD2-CD1 3.86Å; L523-F566 HydrophobicContact CD2-CE1 3.41Å; L523-F566 VanDerWaalsContact CD2-CE1 3.41Å; L523-F566 HydrophobicContact CD2-CE2 4.37Å; L523-F566 HydrophobicContact CD2-CZ 3.73Å; L523-F566 HydrophobicContact CG-CE1 4.46Å; V525-F566 HydrophobicContact CG1-CB 4.47Å; A546-F566 HydrophobicContact CB-CB 4.06Å; A546-F566 HydrophobicContact CB-CD1 4.22Å; V547-F566 CarbonylContact O-C 3.59Å; V547-F566 WeakPolarHBondContact O-CA 3.45Å; R548-F566 HydrophobicContact CB-CD1 4.37Å; R548-F566 HydrophobicContact CB-CE1 3.72Å; R548-F566 HydrophobicContact CB-CZ 4.03Å; R548-F566 HydrophobicContact CG-CE1 4.05Å; R548-F566 HydrophobicContact CG-CZ 3.83Å; T564-F566 HydrophobicContact CG2-CE2 4.14Å; F566-W607 HydrophobicContact CB-CE3 4.14Å; F566-W607 HydrophobicContact CB-CZ3 4.08Å; F566-W607 AromaticContact CD2-CE3 3.95Å; F566-W607 HydrophobicContact CD2-CE3 3.95Å; F566-W607 HydrophobicContact CD2-CZ3 4.2Å; F566-W607 HydrophobicContact CG-CE3 4.39Å; F566-W607 HydrophobicContact CG-CZ3 4.32Å; F566-W607 PolarHBondContact N-O 2.9Å; F566-L608 HydrophobicContact CB-CD1 4.3Å; F566-C609 PolarHBondContact O-N 2.88Å; F566-P621 HydrophobicContact CD2-CG 3.93Å; F566-P621 HydrophobicContact CE2-CB 4.02Å; F566-P621 HydrophobicContact CE2-CG 3.89Å; F566-P621 HydrophobicContact CZ-CB 4.47Å; F566-W660 AromaticContact CE2-CE3 3.87Å; F566-W660 HydrophobicContact CE2-CE3 3.87Å; F566-W660 HydrophobicContact CE2-CZ3 4.07Å; F566-W660 AromaticContact CZ-CE3 3.69Å; F566-W660 HydrophobicContact CZ-CE3 3.69Å; F566-W660 HydrophobicContact CZ-CZ3 4.22Å |
| 567 | Y | 94.8 | Very high | 73.9 | Confident | 56 Ų | 56 | 67.9 Ų | 67.9 | 22% | 0.22 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 119.7 | 177.5 | -63.7 | -90.9 | 0 | 0 | 0 | 109.7 | A546 V547 N549 F569 C609 S641 C642 | A546-Y567 CarbonylContact C-O 3.55Å; A546-Y567 WeakPolarHBondContact CA-O 3.23Å; A546-Y567 WeakPolarHBondContact CB-O 3.27Å; V547-Y567 PolarHBondContact N-O 2.84Å; V547-Y567 PolarHBondContact O-N 2.95Å; N549-Y567 HydrophobicContact CB-CD2 4.39Å; N549-Y567 HydrophobicContact CB-CE2 3.74Å; Y567-F569 PolarHBondContact O-N 3.35Å; Y567-C609 HydrophobicContact CD1-CB 3.69Å; Y567-C609 HydrophobicContact CE1-CB 4.05Å; Y567-C609 HydrophobicContact CG-CB 4.33Å; Y567-S641 WeakPolarHBondContact CA-OG 3.47Å; Y567-S641 WeakPolarHBondContact CB-OG 3.29Å; Y567-C642 WeakPolarHBondContact CB-SG 3.45Å; Y567-C642 PolarHBondContact O-SG 3.29Å; Y567-C642 VanDerWaalsContact O-SG 3.32Å |
| 568 | T | 96.6 | Very high | 75.8 | Confident | 0 Ų | 0 | 70.3 Ų | 70.3 | 0% | 0 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -53.1 | 133.6 | 170.8 | 50.4 | 0 | 0 | 0 | 0 | 111 | V525 L544 L608 C609 V610 Y640 S641 C642 | V525-T568 HydrophobicContact CG2-CG2 4.41Å; L544-T568 HydrophobicContact CD1-CG2 4.26Å; L544-T568 HydrophobicContact CD2-CG2 3.71Å; L544-T568 HydrophobicContact CG-CG2 4.04Å; T568-L608 HydrophobicContact CG2-CD1 3.98Å; T568-C609 VanDerWaalsContact CG2-O 3.3Å; T568-C609 WeakPolarHBondContact CG2-O 3.2Å; T568-C609 PolarHBondContact N-O 2.97Å; T568-C609 PolarHBondContact OG1-O 2.92Å; T568-C609 VanDerWaalsContact OG1-O 3.07Å; T568-V610 HydrophobicContact CG2-CB 4.4Å; T568-V610 HydrophobicContact CG2-CG1 3.91Å; T568-Y640 WeakPolarHBondContact O-CB 3.46Å; T568-S641 PolarHBondContact N-OG 3.18Å; T568-S641 PolarHBondContact O-N 3.24Å; T568-S641 PolarHBondContact O-OG 2.78Å; T568-S641 PolarHBondContact OG1-N 2.88Å; T568-S641 PolarHBondContact OG1-OG 2.78Å; T568-S641 VanDerWaalsContact OG1-OG 3.09Å; T568-C642 PolarHBondContact O-N 3.11Å; T568-C642 PolarHBondContact O-SG 3.12Å |
| 569 | F | 96.2 | Very high | 78.1 | Confident | 0 Ų | 0 | 69.3 Ų | 69.3 | 0% | 0 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | -53.8 | -171.4 | 173.7 | -125.7 | 0 | 0 | 0 | 112.4 | L520 C545 V547 Y567 L634 Y640 C642 I644 T645 L646 L669 | L520-F569 HydrophobicContact CD1-CE1 3.98Å; L520-F569 HydrophobicContact CD1-CZ 3.98Å; C545-F569 PolarHBondContact O-N 2.66Å; V547-F569 HydrophobicContact CG1-CB 4.17Å; V547-F569 HydrophobicContact CG1-CD1 4.42Å; V547-F569 HydrophobicContact CG1-CG 4.21Å; Y567-F569 PolarHBondContact O-N 3.35Å; F569-L634 HydrophobicContact CE2-CD2 4.02Å; F569-L634 HydrophobicContact CZ-CD2 3.59Å; F569-Y640 WeakPolarHBondContact O-CD2 2.9Å; F569-Y640 VanDerWaalsContact O-CG 3.28Å; F569-C642 HydrophobicContact CD2-CB 4.27Å; F569-I644 VanDerWaalsContact CD2-O 3.29Å; F569-I644 WeakPolarHBondContact CD2-O 3.32Å; F569-I644 HydrophobicContact CE2-CG1 4.43Å; F569-T645 WeakPolarHBondContact O-CA 3.5Å; F569-T645 VanDerWaalsContact O-CB 3.26Å; F569-T645 WeakPolarHBondContact O-CB 3.47Å; F569-T645 PolarHBondContact O-OG1 2.7Å; F569-T645 VanDerWaalsContact O-OG1 3.08Å; F569-L646 HydrophobicContact CE1-CB 3.85Å; F569-L646 HydrophobicContact CZ-CB 3.74Å; F569-L669 HydrophobicContact CD2-CD2 3.78Å; F569-L669 HydrophobicContact CE2-CD1 3.99Å; F569-L669 HydrophobicContact CE2-CD2 3.68Å; F569-L669 HydrophobicContact CE2-CG 4.48Å; F569-L669 HydrophobicContact CZ-CD1 3.94Å; F569-L669 HydrophobicContact CZ-CD2 4.35Å |
| 570 | C | 95.8 | Very high | 80.6 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.2 | 162.4 | -178.4 | 72.9 | 0 | 0 | 0 | 0 | 113 | C545 L629 T645 L646 | C545-C570 PolarHBondContact N-O 2.83Å; C545-C570 PolarHBondContact O-N 2.98Å; C570-L629 VanDerWaalsContact SG-CD1 3.52Å; C570-T645 WeakPolarHBondContact CB-OG1 3.35Å; C570-L646 HydrophobicContact CB-CB 4.31Å |
| 571 | K | 94.9 | Very high | 83.1 | Confident | 61 Ų | 61 | 59.1 Ų | 59.1 | 27% | 0.265 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 129.2 | 171.8 | -176.7 | 179.2 | -168.4 | 156.8 | 0 | 110.3 | Y528 H542 F543 E613 Y640 P649 | Y528-K571 VanDerWaalsContact CD1-NZ 3.31Å; Y528-K571 HydrophobicContact CD2-CD 4.21Å; Y528-K571 HydrophobicContact CD2-CG 4.32Å; Y528-K571 VanDerWaalsContact CE1-NZ 3.26Å; Y528-K571 HydrophobicContact CE2-CD 3.81Å; Y528-K571 VanDerWaalsContact CE2-CE 3.45Å; Y528-K571 HydrophobicContact CE2-CG 3.86Å; H542-K571 HydrophobicContact CB-CG 4.44Å; F543-K571 WeakPolarHBondContact O-CA 3.19Å; K571-E613 IonicContact NZ-OE1 3.08Å; K571-E613 PolarHBondContact NZ-OE1 2.93Å; K571-Y640 HydrophobicContact CB-CE1 4.48Å; K571-Y640 WeakPolarHBondContact CB-OH 3.47Å; K571-Y640 PolarHBondContact N-OH 2.85Å; K571-P649 VanDerWaalsContact O-CG 3.25Å; K571-P649 WeakPolarHBondContact O-CG 3.37Å |
| 572 | V | 92.9 | Very high | 85.4 | Confident | 1 Ų | 1 | 56.5 Ų | 56.5 | 1% | 0.006 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 140.6 | -179.7 | 67.1 | 0 | 0 | 0 | 0 | 111.6 | H542 F543 L627 L629 P649 V651 | H542-V572 CarbonylContact C-O 3.58Å; H542-V572 VanDerWaalsContact CA-O 3.31Å; H542-V572 WeakPolarHBondContact CA-O 3.38Å; F543-V572 HydrophobicContact CB-CG1 4.14Å; F543-V572 PolarHBondContact N-O 2.98Å; F543-V572 PolarHBondContact O-N 3.25Å; V572-L627 HydrophobicContact CG1-CD1 4.37Å; V572-L629 HydrophobicContact CB-CD2 4.45Å; V572-L629 HydrophobicContact CG1-CD2 4.16Å; V572-L629 HydrophobicContact CG2-CD2 4.32Å; V572-P649 HydrophobicContact CB-CB 4.39Å; V572-P649 HydrophobicContact CG2-CB 4.32Å; V572-V651 HydrophobicContact CG1-CG2 4.07Å; V572-V651 HydrophobicContact CG2-CG2 3.72Å |
| 573 | K | 88 | Confident | 87.2 | Confident | 154 Ų | 154 | 55.6 Ų | 55.6 | 67% | 0.67 | 27% | 0.27 | S | S | * | . | trans | -133 | -18.4 | -179.2 | 80.2 | 178.1 | -178.2 | -179 | 0 | 115.1 | H542 | H542-K573 HydrophobicContact CB-CB 4.42Å; H542-K573 WeakPolarHBondContact CD2-CB 3.41Å | ||
| 574 | S | 84.4 | Confident | 88.4 | Confident | 56 Ų | 56 | 50.6 Ų | 50.6 | 39% | 0.392 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -114.3 | 162.2 | -171.9 | 40.4 | 0 | 0 | 0 | 0 | 110.3 | P649 V651 | S574-P649 PolarHBondContact OG-O 3.17Å; S574-V651 PolarHBondContact O-N 2.88Å |
| 575 | G | 79.5 | Confident | 89.1 | Confident | 13 Ų | 13 | 50.8 Ų | 50.8 | 13% | 0.134 | 25% | 0.245 | C | C | . | . | S | Bend | trans | 102.7 | -18.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | V651 P743 A745 | G575-V651 CarbonylContact C-O 3.48Å; G575-V651 WeakPolarHBondContact CA-O 3.28Å; G575-P743 WeakPolarHBondContact O-CB 3.29Å; G575-A745 WeakPolarHBondContact O-CB 3.5Å |
| 576 | L | 84.3 | Confident | 89.1 | Confident | 26 Ų | 26 | 52.2 Ų | 52.2 | 14% | 0.136 | 26% | 0.257 | C | S | . | . | trans | -94 | 134.1 | 176 | -66.4 | 165.7 | 0 | 0 | 0 | 111.3 | F543 Q580 L581 I584 V651 I654 | F543-L576 HydrophobicContact CD2-CD1 4.34Å; F543-L576 HydrophobicContact CE2-CD1 3.75Å; L576-Q580 HydrophobicContact CB-CB 4.46Å; L576-Q580 HydrophobicContact CD2-CB 4.03Å; L576-L581 HydrophobicContact CD1-CD1 4.28Å; L576-I584 HydrophobicContact CD1-CD1 3.61Å; L576-I584 HydrophobicContact CD2-CD1 3.78Å; L576-I584 HydrophobicContact CG-CD1 4.35Å; L576-V651 HydrophobicContact CD1-CG2 4.26Å; L576-V651 HydrophobicContact CD2-CB 4.17Å; L576-V651 HydrophobicContact CD2-CG1 3.8Å; L576-V651 HydrophobicContact CG-CB 4Å; L576-V651 HydrophobicContact CG-CG1 4.18Å; L576-V651 HydrophobicContact CG-CG2 4.03Å; L576-I654 HydrophobicContact CD2-CD1 4Å; L576-I654 HydrophobicContact CD2-CG1 4Å | ||
| 577 | T | 81.9 | Confident | 88.9 | Confident | 38 Ų | 38 | 56.1 Ų | 56.1 | 23% | 0.233 | 28% | 0.277 | C | S | . | . | trans | -65.5 | 158.7 | 167.3 | 64.7 | 0 | 0 | 0 | 0 | 110.9 | K579 Q580 L581 P743 | T577-K579 PolarHBondContact O-N 3.31Å; T577-K579 VanDerWaalsContact O-N 3.17Å; T577-Q580 PolarHBondContact O-N 2.82Å; T577-Q580 WeakPolarHBondContact OG1-CB 3.34Å; T577-Q580 VanDerWaalsContact OG1-CD 3.3Å; T577-Q580 WeakPolarHBondContact OG1-CG 3.33Å; T577-Q580 PolarHBondContact OG1-N 3.03Å; T577-Q580 PolarHBondContact OG1-OE1 2.9Å; T577-L581 WeakPolarHBondContact O-CB 3.45Å; T577-L581 PolarHBondContact O-N 2.79Å; T577-P743 HydrophobicContact CG2-CG 4.18Å | ||
| 578 | V | 76.6 | Confident | 88.8 | Confident | 111 Ų | 111 | 53.8 Ų | 53.8 | 67% | 0.673 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -57.5 | -32.1 | 176.1 | 178 | 0 | 0 | 0 | 0 | 111.8 | K582 | V578-K582 VanDerWaalsContact O-CG 3.32Å; V578-K582 WeakPolarHBondContact O-CG 3.25Å; V578-K582 PolarHBondContact O-N 2.86Å |
| 579 | K | 86 | Confident | 88.3 | Confident | 165 Ų | 165 | 55.6 Ų | 55.6 | 72% | 0.717 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -68.5 | -52.7 | 176.4 | -174.8 | -176.9 | 175.1 | -173.1 | 0 | 111.3 | T577 L581 K582 E583 | T577-K579 PolarHBondContact O-N 3.31Å; T577-K579 VanDerWaalsContact O-N 3.17Å; K579-L581 VanDerWaalsContact C-N 3.3Å; K579-L581 PolarHBondContact O-N 2.96Å; K579-K582 WeakPolarHBondContact O-CB 3.4Å; K579-K582 PolarHBondContact O-N 3.38Å; K579-K582 VanDerWaalsContact O-N 3.13Å; K579-E583 PolarHBondContact O-N 3.12Å |
| 580 | Q | 89.8 | Confident | 87.9 | Confident | 20 Ų | 20 | 63.8 Ų | 63.8 | 9% | 0.093 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -60 | -39.2 | 177.6 | -75.9 | 160.7 | -32 | 0 | 0 | 112.3 | L576 T577 K582 E583 I584 I654 A745 | L576-Q580 HydrophobicContact CB-CB 4.46Å; L576-Q580 HydrophobicContact CD2-CB 4.03Å; T577-Q580 PolarHBondContact O-N 2.82Å; T577-Q580 WeakPolarHBondContact OG1-CB 3.34Å; T577-Q580 VanDerWaalsContact OG1-CD 3.3Å; T577-Q580 WeakPolarHBondContact OG1-CG 3.33Å; T577-Q580 PolarHBondContact OG1-N 3.03Å; T577-Q580 PolarHBondContact OG1-OE1 2.9Å; Q580-K582 VanDerWaalsContact C-N 3.32Å; Q580-K582 PolarHBondContact O-N 3.12Å; Q580-E583 WeakPolarHBondContact O-CB 3.47Å; Q580-E583 PolarHBondContact O-N 3.28Å; Q580-I584 WeakPolarHBondContact O-CG1 3.33Å; Q580-I584 PolarHBondContact O-N 3.29Å; Q580-I654 HydrophobicContact CB-CD1 4.07Å; Q580-I654 HydrophobicContact CG-CD1 4.1Å; Q580-A745 PolarHBondContact NE2-O 2.94Å; Q580-A745 PolarHBondContact OE1-O 3.46Å |
| 581 | L | 87.5 | Confident | 87.7 | Confident | 37 Ų | 37 | 67 Ų | 67 | 19% | 0.194 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -65 | -37.2 | 177.2 | -175.8 | 61.9 | 0 | 0 | 0 | 112.2 | N541 F543 L576 T577 K579 N585 | N541-L581 HydrophobicContact CB-CD2 4.36Å; F543-L581 HydrophobicContact CE2-CD1 3.84Å; F543-L581 HydrophobicContact CZ-CD1 3.87Å; L576-L581 HydrophobicContact CD1-CD1 4.28Å; T577-L581 WeakPolarHBondContact O-CB 3.45Å; T577-L581 PolarHBondContact O-N 2.79Å; K579-L581 VanDerWaalsContact C-N 3.3Å; K579-L581 PolarHBondContact O-N 2.96Å; L581-N585 WeakPolarHBondContact O-CB 3.46Å; L581-N585 PolarHBondContact O-N 3.03Å; L581-N585 VanDerWaalsContact O-N 3.08Å; L581-N585 PolarHBondContact O-ND2 2.96Å |
| 582 | K | 86.4 | Confident | 87.6 | Confident | 109 Ų | 109 | 66 Ų | 66 | 47% | 0.474 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -64.3 | -43.1 | 172.8 | -75.3 | 173.2 | -177.7 | 178.3 | 0 | 111 | V578 K579 Q580 N585 Q586 | V578-K582 VanDerWaalsContact O-CG 3.32Å; V578-K582 WeakPolarHBondContact O-CG 3.25Å; V578-K582 PolarHBondContact O-N 2.86Å; K579-K582 WeakPolarHBondContact O-CB 3.4Å; K579-K582 PolarHBondContact O-N 3.38Å; K579-K582 VanDerWaalsContact O-N 3.13Å; Q580-K582 VanDerWaalsContact C-N 3.32Å; Q580-K582 PolarHBondContact O-N 3.12Å; K582-N585 PolarHBondContact O-N 3.38Å; K582-Q586 WeakPolarHBondContact O-CG 3.14Å; K582-Q586 PolarHBondContact O-N 3.18Å |
| 583 | E | 89.6 | Confident | 87.4 | Confident | 75 Ų | 75 | 71.6 Ų | 71.6 | 35% | 0.35 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -61.6 | -49.3 | 178 | -178.7 | 177.7 | -179.2 | 0 | 0 | 111.9 | K579 Q580 N585 Q586 L587 | K579-E583 PolarHBondContact O-N 3.12Å; Q580-E583 WeakPolarHBondContact O-CB 3.47Å; Q580-E583 PolarHBondContact O-N 3.28Å; E583-N585 VanDerWaalsContact C-N 3.32Å; E583-N585 PolarHBondContact O-N 3.13Å; E583-Q586 WeakPolarHBondContact O-CB 3.32Å; E583-Q586 PolarHBondContact O-N 2.87Å; E583-L587 HydrophobicContact CG-CD1 3.95Å; E583-L587 HydrophobicContact CG-CG 4.49Å; E583-L587 WeakPolarHBondContact O-CG 3.39Å; E583-L587 PolarHBondContact O-N 2.95Å |
| 584 | I | 91.1 | Very high | 87.4 | Confident | 1 Ų | 1 | 70.2 Ų | 70.2 | 1% | 0.005 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -58.7 | -44.3 | 175.3 | -69.1 | 171.1 | 0 | 0 | 0 | 111 | F543 L576 Q580 Q586 L587 L588 L625 L627 I654 | F543-I584 HydrophobicContact CE1-CG2 3.76Å; F543-I584 HydrophobicContact CE2-CG2 4.45Å; F543-I584 HydrophobicContact CZ-CB 4.46Å; F543-I584 HydrophobicContact CZ-CG2 3.56Å; L576-I584 HydrophobicContact CD1-CD1 3.61Å; L576-I584 HydrophobicContact CD2-CD1 3.78Å; L576-I584 HydrophobicContact CG-CD1 4.35Å; Q580-I584 WeakPolarHBondContact O-CG1 3.33Å; Q580-I584 PolarHBondContact O-N 3.29Å; I584-Q586 VanDerWaalsContact C-N 3.27Å; I584-Q586 PolarHBondContact O-N 3.12Å; I584-L587 PolarHBondContact O-N 3.35Å; I584-L588 HydrophobicContact CG2-CD1 3.69Å; I584-L588 HydrophobicContact CG2-CG 4.1Å; I584-L588 WeakPolarHBondContact O-CB 3.21Å; I584-L588 WeakPolarHBondContact O-CG 3.43Å; I584-L588 PolarHBondContact O-N 2.83Å; I584-L625 HydrophobicContact CG1-CD2 4.16Å; I584-L627 HydrophobicContact CD1-CD2 4.47Å; I584-I654 HydrophobicContact CD1-CD1 3.7Å; I584-I654 HydrophobicContact CD1-CG1 4.19Å; I584-I654 HydrophobicContact CG1-CD1 3.95Å |
| 585 | N | 90 | Very high | 87.6 | Confident | 21 Ų | 21 | 67.9 Ų | 67.9 | 11% | 0.112 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -64.3 | -30.3 | 177.5 | -86.5 | -79.2 | 0 | 0 | 0 | 112.8 | R539 V540 L581 K582 E583 G589 | R539-N585 WeakPolarHBondContact CA-OD1 3.41Å; V540-N585 PolarHBondContact N-OD1 3.1Å; V540-N585 PolarHBondContact O-ND2 3.45Å; V540-N585 PolarHBondContact O-OD1 3.25Å; L581-N585 WeakPolarHBondContact O-CB 3.46Å; L581-N585 PolarHBondContact O-N 3.03Å; L581-N585 VanDerWaalsContact O-N 3.08Å; L581-N585 PolarHBondContact O-ND2 2.96Å; K582-N585 PolarHBondContact O-N 3.38Å; E583-N585 VanDerWaalsContact C-N 3.32Å; E583-N585 PolarHBondContact O-N 3.13Å; N585-G589 WeakPolarHBondContact O-CA 3.34Å; N585-G589 PolarHBondContact O-N 2.89Å; N585-G589 VanDerWaalsContact O-N 3.08Å |
| 586 | Q | 89.2 | Confident | 88 | Confident | 153 Ų | 153 | 70.8 Ų | 70.8 | 72% | 0.715 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -74.1 | -44.5 | 173.9 | -74.6 | 170.8 | -14 | 0 | 0 | 111.8 | K582 E583 I584 | K582-Q586 WeakPolarHBondContact O-CG 3.14Å; K582-Q586 PolarHBondContact O-N 3.18Å; E583-Q586 WeakPolarHBondContact O-CB 3.32Å; E583-Q586 PolarHBondContact O-N 2.87Å; I584-Q586 VanDerWaalsContact C-N 3.27Å; I584-Q586 PolarHBondContact O-N 3.12Å |
| 587 | L | 90.9 | Very high | 88.1 | Confident | 82 Ų | 82 | 74 Ų | 74 | 43% | 0.429 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -66.3 | -50.9 | -179.2 | -71.8 | 170.9 | 0 | 0 | 0 | 112 | E583 I584 | E583-L587 HydrophobicContact CG-CD1 3.95Å; E583-L587 HydrophobicContact CG-CG 4.49Å; E583-L587 WeakPolarHBondContact O-CG 3.39Å; E583-L587 PolarHBondContact O-N 2.95Å; I584-L587 PolarHBondContact O-N 3.35Å |
| 588 | L | 92.3 | Very high | 88.1 | Confident | 7 Ų | 7 | 80.7 Ų | 80.7 | 4% | 0.037 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -87.3 | -17.5 | -175.1 | -54 | -172.4 | 0 | 0 | 0 | 113 | I524 I584 K590 H591 W592 I619 L625 | I524-L588 HydrophobicContact CD1-CD1 3.89Å; I524-L588 HydrophobicContact CG2-CD1 4.4Å; I584-L588 HydrophobicContact CG2-CD1 3.69Å; I584-L588 HydrophobicContact CG2-CG 4.1Å; I584-L588 WeakPolarHBondContact O-CB 3.21Å; I584-L588 WeakPolarHBondContact O-CG 3.43Å; I584-L588 PolarHBondContact O-N 2.83Å; L588-K590 VanDerWaalsContact C-N 3.28Å; L588-K590 PolarHBondContact O-N 3.03Å; L588-K590 VanDerWaalsContact O-N 3.13Å; L588-H591 PolarHBondContact O-N 2.73Å; L588-W592 HydrophobicContact CB-CZ2 3.92Å; L588-W592 HydrophobicContact CD1-CH2 4.4Å; L588-W592 HydrophobicContact CD1-CZ2 3.89Å; L588-W592 PolarHBondContact O-N 2.88Å; L588-I619 HydrophobicContact CB-CD1 4.02Å; L588-I619 HydrophobicContact CD1-CD1 4.48Å; L588-I619 HydrophobicContact CD2-CD1 3.85Å; L588-I619 HydrophobicContact CG-CD1 4.32Å; L588-L625 HydrophobicContact CD2-CB 4.36Å |
| 589 | G | 86 | Confident | 88.4 | Confident | 37 Ų | 37 | 80.9 Ų | 80.9 | 38% | 0.381 | 39% | 0.387 | S | S | . | . | G | 310 helix | trans | -48.2 | -44.3 | -173 | 0 | 0 | 0 | 0 | 0 | 114.6 | N585 H591 | N585-G589 WeakPolarHBondContact O-CA 3.34Å; N585-G589 PolarHBondContact O-N 2.89Å; N585-G589 VanDerWaalsContact O-N 3.08Å; G589-H591 VanDerWaalsContact C-N 3.28Å; G589-H591 PolarHBondContact O-N 2.89Å |
| 590 | K | 89.1 | Confident | 88 | Confident | 173 Ų | 173 | 75.2 Ų | 75.2 | 75% | 0.752 | 37% | 0.367 | S | S | * | . | G | 310 helix | trans | -75.8 | -11.6 | -178.8 | 66.7 | -173.8 | 179.1 | -176.1 | 0 | 114.6 | L588 | L588-K590 VanDerWaalsContact C-N 3.28Å; L588-K590 PolarHBondContact O-N 3.03Å; L588-K590 VanDerWaalsContact O-N 3.13Å |
| 591 | H | 92.1 | Very high | 87.2 | Confident | 66 Ų | 66 | 77.3 Ų | 77.3 | 31% | 0.306 | 38% | 0.379 | S | S | . | . | G | 310 helix | trans | -105.2 | -11.1 | -174.4 | -62.2 | -66.5 | 0 | 0 | 0 | 113.3 | L588 G589 I619 | L588-H591 PolarHBondContact O-N 2.73Å; G589-H591 VanDerWaalsContact C-N 3.28Å; G589-H591 PolarHBondContact O-N 2.89Å; H591-I619 HydrophobicContact CB-CD1 3.53Å; H591-I619 HydrophobicContact CB-CG1 3.8Å |
| 592 | W | 91.1 | Very high | 86.6 | Confident | 42 Ų | 42 | 77.7 Ų | 77.7 | 16% | 0.159 | 39% | 0.385 | C | S | . | . | trans | -65.4 | 133.1 | 176.8 | -66.7 | 122.2 | 0 | 0 | 0 | 111.9 | I524 V540 F543 L588 V617 I619 | I524-W592 HydrophobicContact CG2-CH2 3.76Å; V540-W592 HydrophobicContact CB-CZ2 4.45Å; V540-W592 HydrophobicContact CG1-CZ2 4.3Å; V540-W592 HydrophobicContact CG2-CD2 4.43Å; V540-W592 HydrophobicContact CG2-CZ2 4.32Å; F543-W592 HydrophobicContact CD1-CH2 4.45Å; F543-W592 HydrophobicContact CD1-CZ2 4.38Å; F543-W592 HydrophobicContact CE1-CZ2 4.23Å; L588-W592 HydrophobicContact CB-CZ2 3.92Å; L588-W592 HydrophobicContact CD1-CH2 4.4Å; L588-W592 HydrophobicContact CD1-CZ2 3.89Å; L588-W592 PolarHBondContact O-N 2.88Å; W592-V617 HydrophobicContact CB-CB 4.14Å; W592-V617 HydrophobicContact CB-CG1 4.45Å; W592-V617 HydrophobicContact CB-CG2 4.25Å; W592-V617 HydrophobicContact CD2-CB 4.41Å; W592-V617 HydrophobicContact CD2-CG2 3.78Å; W592-V617 HydrophobicContact CE3-CB 4.03Å; W592-V617 HydrophobicContact CE3-CG2 3.58Å; W592-V617 HydrophobicContact CG-CB 4.47Å; W592-V617 HydrophobicContact CG-CG2 4.07Å; W592-V617 HydrophobicContact CZ3-CG2 4.23Å; W592-I619 HydrophobicContact CE3-CB 3.81Å; W592-I619 HydrophobicContact CE3-CG2 4.29Å; W592-I619 HydrophobicContact CH2-CB 4.31Å; W592-I619 HydrophobicContact CH2-CG2 3.96Å; W592-I619 HydrophobicContact CZ3-CB 3.62Å; W592-I619 HydrophobicContact CZ3-CG2 3.57Å | ||
| 593 | K | 90 | Very high | 86.2 | Confident | 118 Ų | 118 | 77.7 Ų | 77.7 | 51% | 0.513 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 145.8 | 171.9 | -66.8 | 177.7 | 179.7 | -178 | 0 | 109.3 | Y595 V617 W618 | K593-Y595 PolarHBondContact O-N 2.96Å; K593-V617 CarbonylContact O-C 3.41Å; K593-V617 WeakPolarHBondContact O-CA 3.39Å; K593-V617 WeakPolarHBondContact O-CB 3.48Å; K593-W618 HydrophobicContact CB-CD2 4.29Å; K593-W618 HydrophobicContact CB-CZ2 4.07Å; K593-W618 HydrophobicContact CD-CH2 3.9Å; K593-W618 HydrophobicContact CD-CZ2 3.51Å; K593-W618 HydrophobicContact CG-CZ2 4.41Å; K593-W618 PolarHBondContact N-O 3.38Å; K593-W618 VanDerWaalsContact O-CD1 3.23Å; K593-W618 PolarHBondContact O-N 3.34Å |
| 594 | V | 88.2 | Confident | 85.7 | Confident | 124 Ų | 124 | 77.6 Ų | 77.6 | 75% | 0.752 | 41% | 0.406 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -62.2 | 133 | 177.8 | 179.7 | 0 | 0 | 0 | 0 | 109.5 | W618 | V594-W618 PolarHBondContact O-NE1 2.83Å |
| 595 | Y | 88.5 | Confident | 85.4 | Confident | 7 Ų | 7 | 78 Ų | 78 | 3% | 0.027 | 41% | 0.409 | C | S | . | . | trans | -88.9 | 124.5 | 176.4 | -171.3 | -93.3 | 0 | 0 | 0 | 110.2 | K593 K597 T605 L608 V610 R614 P615 D616 W618 | K593-Y595 PolarHBondContact O-N 2.96Å; Y595-K597 HydrophobicContact CD1-CG 4.08Å; Y595-K597 PolarHBondContact O-N 2.8Å; Y595-K597 VanDerWaalsContact O-N 3.11Å; Y595-T605 HydrophobicContact CD2-CG2 4.16Å; Y595-T605 HydrophobicContact CE2-CG2 4.06Å; Y595-L608 HydrophobicContact CE2-CD2 4.38Å; Y595-V610 WeakPolarHBondContact OH-CG2 3.16Å; Y595-R614 HydrophobicContact CD1-CB 4.38Å; Y595-R614 HydrophobicContact CE1-CB 4.1Å; Y595-R614 HydrophobicContact CE1-CG 4.32Å; Y595-P615 HydrophobicContact CD1-CG 4.44Å; Y595-P615 HydrophobicContact CD2-CG 4.18Å; Y595-P615 HydrophobicContact CG-CG 4.04Å; Y595-D616 PolarHBondContact N-O 3.41Å; Y595-W618 HydrophobicContact CD2-CB 3.94Å; Y595-W618 AromaticContact CD2-CD1 3.87Å; Y595-W618 HydrophobicContact CD2-CG 4.08Å | ||
| 596 | D | 87.4 | Confident | 85.2 | Confident | 74 Ų | 74 | 82.4 Ų | 82.4 | 40% | 0.396 | 43% | 0.429 | S | S | . | . | trans | -76.7 | 99.1 | 174.2 | -172.8 | -5.3 | 0 | 0 | 0 | 110.1 | K598 H599 | D596-K598 PolarHBondContact O-N 2.79Å; D596-K598 WeakPolarHBondContact OD1-CB 3.25Å; D596-K598 PolarHBondContact OD1-N 3.11Å; D596-H599 CarbonylContact O-C 3.53Å; D596-H599 PolarHBondContact O-N 3.01Å; D596-H599 PolarHBondContact OD1-N 2.94Å; D596-H599 IonicContact OD1-ND1 2.74Å; D596-H599 IonicContact OD2-CE1 2.67Å; D596-H599 IonicContact OD2-CG 3.82Å; D596-H599 IonicContact OD2-ND1 3.19Å; D596-H599 PolarHBondContact OD2-ND1 2.86Å | ||
| 597 | K | 86 | Confident | 85.3 | Confident | 93 Ų | 93 | 76.1 Ų | 76.1 | 40% | 0.404 | 40% | 0.398 | S | S | . | . | S | Bend | trans | -67.6 | -17.5 | 178.3 | -64.1 | -175.2 | -176.6 | -178.2 | 0 | 113.2 | Y595 R614 P615 D616 | Y595-K597 HydrophobicContact CD1-CG 4.08Å; Y595-K597 PolarHBondContact O-N 2.8Å; Y595-K597 VanDerWaalsContact O-N 3.11Å; K597-R614 HydrophobicContact CG-CB 4.28Å; K597-R614 PolarHBondContact O-NH1 2.86Å; K597-P615 WeakPolarHBondContact CE-O 3.44Å; K597-D616 IonicContact NZ-OD1 3.82Å; K597-D616 PolarHBondContact NZ-OD1 2.99Å |
| 598 | K | 83.2 | Confident | 85.4 | Confident | 180 Ų | 180 | 72.2 Ų | 72.2 | 78% | 0.783 | 38% | 0.378 | S | S | * | . | S | Bend | trans | -83.6 | -34 | -179.5 | -64.1 | -177.1 | 178 | -178.1 | 0 | 112.1 | D596 P600 | D596-K598 PolarHBondContact O-N 2.79Å; D596-K598 WeakPolarHBondContact OD1-CB 3.25Å; D596-K598 PolarHBondContact OD1-N 3.11Å; K598-P600 WeakPolarHBondContact O-CD 3.35Å |
| 599 | H | 81.9 | Confident | 85.3 | Confident | 115 Ų | 115 | 72.9 Ų | 72.9 | 53% | 0.532 | 38% | 0.383 | S | S | . | . | S | Bend | trans | -121.4 | 73.3 | -179.8 | -50.1 | 101.7 | 0 | 0 | 0 | 110.3 | D596 S602 | D596-H599 CarbonylContact O-C 3.53Å; D596-H599 PolarHBondContact O-N 3.01Å; D596-H599 PolarHBondContact OD1-N 2.94Å; D596-H599 IonicContact OD1-ND1 2.74Å; D596-H599 IonicContact OD2-CE1 2.67Å; D596-H599 IonicContact OD2-CG 3.82Å; D596-H599 IonicContact OD2-ND1 3.19Å; D596-H599 PolarHBondContact OD2-ND1 2.86Å; H599-S602 WeakPolarHBondContact O-CB 3.41Å; H599-S602 PolarHBondContact O-OG 3.4Å |
| 600 | P | 77.6 | Confident | 85.6 | Confident | 46 Ų | 46 | 71.9 Ų | 71.9 | 30% | 0.299 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | 148.9 | 178.6 | 29.2 | -36.1 | 0 | 0 | 0 | 110.9 | K598 S602 V610 | K598-P600 WeakPolarHBondContact O-CD 3.35Å; P600-S602 PolarHBondContact O-N 3.14Å; P600-V610 HydrophobicContact CB-CG2 3.88Å |
| 601 | N | 72.6 | Confident | 85.5 | Confident | 63 Ų | 63 | 67.3 Ų | 67.3 | 34% | 0.337 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58 | 28.8 | 176.1 | -46.6 | -11.8 | 0 | 0 | 0 | 113.9 | L608 | N601-L608 PolarHBondContact OD1-O 3.36Š|
| 602 | S | 75.5 | Confident | 85.4 | Confident | 45 Ų | 45 | 67.8 Ų | 67.8 | 32% | 0.315 | 36% | 0.364 | S | S | . | . | trans | -99.9 | 145.5 | -179.5 | 65.9 | 0 | 0 | 0 | 0 | 112 | H599 P600 S604 T605 | H599-S602 WeakPolarHBondContact O-CB 3.41Å; H599-S602 PolarHBondContact O-OG 3.4Å; P600-S602 PolarHBondContact O-N 3.14Å; S602-S604 PolarHBondContact O-N 3.13Å; S602-T605 PolarHBondContact N-OG1 3.42Å; S602-T605 PolarHBondContact O-N 3.28Å; S602-T605 VanDerWaalsContact O-N 3.12Å; S602-T605 PolarHBondContact O-OG1 3.3Å; S602-T605 VanDerWaalsContact O-OG1 3.13Å | ||
| 603 | S | 77.2 | Confident | 85.4 | Confident | 110 Ų | 110 | 68.2 Ų | 68.2 | 77% | 0.769 | 37% | 0.368 | S | S | * | . | G | 310 helix | trans | 52.6 | -103.2 | 172.5 | -52.1 | 0 | 0 | 0 | 0 | 113.4 | T605 | S603-T605 VanDerWaalsContact C-N 3.3Å; S603-T605 PolarHBondContact O-N 2.89Å |
| 604 | S | 80.3 | Confident | 85.5 | Confident | 73 Ų | 73 | 66.4 Ų | 66.4 | 51% | 0.51 | 36% | 0.358 | S | S | . | . | G | 310 helix | trans | -79.1 | -5.9 | -174.5 | -57.3 | 0 | 0 | 0 | 0 | 114.7 | S602 W607 W618 | S602-S604 PolarHBondContact O-N 3.13Å; S604-W607 PolarHBondContact O-NE1 2.88Å; S604-W618 WeakPolarHBondContact O-CH2 3.46Å |
| 605 | T | 84.4 | Confident | 85.7 | Confident | 10 Ų | 10 | 60.5 Ų | 60.5 | 6% | 0.061 | 32% | 0.322 | C | S | . | . | G | 310 helix | trans | -116.8 | 12.9 | -178.8 | 59.1 | 0 | 0 | 0 | 0 | 113.5 | Y595 S602 S603 W607 L608 W618 | Y595-T605 HydrophobicContact CD2-CG2 4.16Å; Y595-T605 HydrophobicContact CE2-CG2 4.06Å; S602-T605 PolarHBondContact N-OG1 3.42Å; S602-T605 PolarHBondContact O-N 3.28Å; S602-T605 VanDerWaalsContact O-N 3.12Å; S602-T605 PolarHBondContact O-OG1 3.3Å; S602-T605 VanDerWaalsContact O-OG1 3.13Å; S603-T605 VanDerWaalsContact C-N 3.3Å; S603-T605 PolarHBondContact O-N 2.89Å; T605-W607 PolarHBondContact O-N 3.08Å; T605-L608 PolarHBondContact O-N 3.33Å; T605-W618 HydrophobicContact CG2-CD2 3.57Å; T605-W618 VanDerWaalsContact CG2-CE2 3.44Å; T605-W618 HydrophobicContact CG2-CE3 4.1Å; T605-W618 HydrophobicContact CG2-CG 3.86Å; T605-W618 HydrophobicContact CG2-CH2 4.34Å; T605-W618 HydrophobicContact CG2-CZ2 3.86Å; T605-W618 HydrophobicContact CG2-CZ3 4.45Å |
| 606 | E | 85.9 | Confident | 85.7 | Confident | 112 Ų | 112 | 61.8 Ų | 61.8 | 52% | 0.523 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -28 | 179.1 | -169.7 | -177.4 | 174.4 | 0 | 0 | 113.4 | L608 | E606-L608 PolarHBondContact O-N 3.13Š|
| 607 | W | 90.5 | Very high | 85.9 | Confident | 21 Ų | 21 | 58.5 Ų | 58.5 | 8% | 0.08 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -16.4 | 175.7 | 61.2 | -91.7 | 0 | 0 | 0 | 113.6 | V525 L563 R565 F566 S604 T605 W618 I619 P621 | V525-W607 HydrophobicContact CB-CH2 4.31Å; V525-W607 HydrophobicContact CB-CZ3 4.46Å; V525-W607 HydrophobicContact CG1-CH2 4.2Å; V525-W607 HydrophobicContact CG1-CZ3 3.97Å; L563-W607 HydrophobicContact CB-CB 4.24Å; R565-W607 CarbonylContact C-O 3.59Å; R565-W607 VanDerWaalsContact CA-O 3.28Å; R565-W607 WeakPolarHBondContact CA-O 3.34Å; F566-W607 HydrophobicContact CB-CE3 4.14Å; F566-W607 HydrophobicContact CB-CZ3 4.08Å; F566-W607 AromaticContact CD2-CE3 3.95Å; F566-W607 HydrophobicContact CD2-CE3 3.95Å; F566-W607 HydrophobicContact CD2-CZ3 4.2Å; F566-W607 HydrophobicContact CG-CE3 4.39Å; F566-W607 HydrophobicContact CG-CZ3 4.32Å; F566-W607 PolarHBondContact N-O 2.9Å; S604-W607 PolarHBondContact O-NE1 2.88Å; T605-W607 PolarHBondContact O-N 3.08Å; W607-W618 AromaticContact CZ2-CE3 3.72Å; W607-W618 HydrophobicContact CZ2-CE3 3.72Å; W607-W618 AromaticContact CZ2-CZ3 3.81Å; W607-W618 HydrophobicContact CZ2-CZ3 3.81Å; W607-I619 VanDerWaalsContact CH2-O 3.24Å; W607-I619 WeakPolarHBondContact CH2-O 3.21Å; W607-I619 WeakPolarHBondContact CZ2-O 3.34Å; W607-P621 HydrophobicContact CD2-CG 4.05Å; W607-P621 HydrophobicContact CE3-CG 3.54Å; W607-P621 HydrophobicContact CH2-CG 3.83Å; W607-P621 HydrophobicContact CZ2-CG 4.29Å; W607-P621 HydrophobicContact CZ3-CG 3.43Å; W607-P621 VanDerWaalsContact CZ3-CG 3.43Å |
| 608 | L | 92.7 | Very high | 86.3 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 113.5 | -176.5 | 179.1 | 61.3 | 0 | 0 | 0 | 109.9 | V525 F566 T568 Y595 N601 T605 E606 V610 | V525-L608 HydrophobicContact CB-CD1 3.83Å; V525-L608 HydrophobicContact CB-CD2 4.36Å; V525-L608 HydrophobicContact CG1-CD1 4.1Å; V525-L608 HydrophobicContact CG2-CD1 3.8Å; F566-L608 HydrophobicContact CB-CD1 4.3Å; T568-L608 HydrophobicContact CG2-CD1 3.98Å; Y595-L608 HydrophobicContact CE2-CD2 4.38Å; N601-L608 PolarHBondContact OD1-O 3.36Å; T605-L608 PolarHBondContact O-N 3.33Å; E606-L608 PolarHBondContact O-N 3.13Å; L608-V610 HydrophobicContact CD2-CG1 3.9Å; L608-V610 HydrophobicContact CG-CG1 3.78Å; L608-V610 PolarHBondContact O-N 3.31Å |
| 609 | C | 91.4 | Very high | 86.8 | Confident | 22 Ų | 22 | 46.4 Ų | 46.4 | 15% | 0.149 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 115.3 | 172.4 | -57.7 | 0 | 0 | 0 | 0 | 109.2 | F566 Y567 T568 S641 | F566-C609 PolarHBondContact O-N 2.88Å; Y567-C609 HydrophobicContact CD1-CB 3.69Å; Y567-C609 HydrophobicContact CE1-CB 4.05Å; Y567-C609 HydrophobicContact CG-CB 4.33Å; T568-C609 VanDerWaalsContact CG2-O 3.3Å; T568-C609 WeakPolarHBondContact CG2-O 3.2Å; T568-C609 PolarHBondContact N-O 2.97Å; T568-C609 PolarHBondContact OG1-O 2.92Å; T568-C609 VanDerWaalsContact OG1-O 3.07Å; C609-S641 WeakPolarHBondContact O-CB 3.4Å; C609-S641 PolarHBondContact O-OG 2.93Å |
| 610 | V | 91.1 | Very high | 87.3 | Confident | 16 Ų | 16 | 42.6 Ų | 42.6 | 10% | 0.097 | 25% | 0.248 | C | C | . | . | trans | -115.7 | 158.3 | 171.4 | -49.1 | 0 | 0 | 0 | 0 | 111 | T568 Y595 P600 L608 R614 | T568-V610 HydrophobicContact CG2-CB 4.4Å; T568-V610 HydrophobicContact CG2-CG1 3.91Å; Y595-V610 WeakPolarHBondContact OH-CG2 3.16Å; P600-V610 HydrophobicContact CB-CG2 3.88Å; L608-V610 HydrophobicContact CD2-CG1 3.9Å; L608-V610 HydrophobicContact CG-CG1 3.78Å; L608-V610 PolarHBondContact O-N 3.31Å; V610-R614 HydrophobicContact CG2-CG 4.14Å | ||
| 611 | N | 88.7 | Confident | 88 | Confident | 76 Ų | 76 | 41.2 Ų | 41.2 | 41% | 0.406 | 24% | 0.239 | S | C | . | . | trans | -115.3 | -119.6 | 169.4 | -157.1 | -6.1 | 0 | 0 | 0 | 110.9 | R614 D638 | N611-R614 PolarHBondContact O-NE 2.81Å; N611-R614 VanDerWaalsContact O-NE 3.11Å; N611-D638 PolarHBondContact ND2-O 3.45Å | ||
| 612 | S | 89.2 | Confident | 88.9 | Confident | 77 Ų | 77 | 46.5 Ų | 46.5 | 54% | 0.538 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -82.7 | -33.4 | -179.1 | 66.7 | 0 | 0 | 0 | 0 | 113.6 | R614 S639 | S612-R614 PolarHBondContact O-N 3.27Å; S612-S639 PolarHBondContact N-O 3.07Å; S612-S639 WeakPolarHBondContact OG-CA 3.38Å |
| 613 | E | 91.5 | Very high | 89.7 | Confident | 50 Ų | 50 | 46.6 Ų | 46.6 | 23% | 0.234 | 25% | 0.254 | C | S | . | . | trans | -79.8 | 108.8 | 174.7 | -177.2 | 66.7 | -160.9 | 0 | 0 | 109.9 | Y528 K571 S639 Y640 | Y528-E613 WeakPolarHBondContact CE1-OE1 3.49Å; Y528-E613 VanDerWaalsContact OH-CG 3.27Å; Y528-E613 WeakPolarHBondContact OH-CG 3.3Å; Y528-E613 PolarHBondContact OH-OE1 3.31Å; K571-E613 IonicContact NZ-OE1 3.08Å; K571-E613 PolarHBondContact NZ-OE1 2.93Å; E613-S639 WeakPolarHBondContact CB-O 3.37Å; E613-S639 PolarHBondContact N-O 3.1Å; E613-Y640 HydrophobicContact CB-CD1 4.35Å; E613-Y640 HydrophobicContact CB-CE1 4.06Å; E613-Y640 HydrophobicContact CG-CE1 3.87Å | ||
| 614 | R | 91.5 | Very high | 90.5 | Very high | 81 Ų | 81 | 42.5 Ų | 42.5 | 31% | 0.306 | 23% | 0.226 | S | C | . | . | trans | -118.8 | 133.7 | -175.7 | -61.4 | 178.2 | -173.7 | 171.5 | 3.2 | 111.1 | Y528 Y595 K597 V610 N611 S612 | Y528-R614 WeakPolarHBondContact CE1-O 3.42Å; Y595-R614 HydrophobicContact CD1-CB 4.38Å; Y595-R614 HydrophobicContact CE1-CB 4.1Å; Y595-R614 HydrophobicContact CE1-CG 4.32Å; K597-R614 HydrophobicContact CG-CB 4.28Å; K597-R614 PolarHBondContact O-NH1 2.86Å; V610-R614 HydrophobicContact CG2-CG 4.14Å; N611-R614 PolarHBondContact O-NE 2.81Å; N611-R614 VanDerWaalsContact O-NE 3.11Å; S612-R614 PolarHBondContact O-N 3.27Å | ||
| 615 | P | 92.2 | Very high | 91.2 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.207 | C | C | . | . | trans | -74.1 | 165.6 | -177.7 | 34.7 | -36.1 | 0 | 0 | 0 | 111.8 | Y528 L544 Y595 K597 V617 | Y528-P615 HydrophobicContact CE1-CB 4.48Å; L544-P615 HydrophobicContact CD2-CB 4.04Å; L544-P615 HydrophobicContact CD2-CG 3.85Å; Y595-P615 HydrophobicContact CD1-CG 4.44Å; Y595-P615 HydrophobicContact CD2-CG 4.18Å; Y595-P615 HydrophobicContact CG-CG 4.04Å; K597-P615 WeakPolarHBondContact CE-O 3.44Å; P615-V617 WeakPolarHBondContact CB-O 3.38Å | ||
| 616 | D | 89.6 | Confident | 91.8 | Very high | 33 Ų | 33 | 39.6 Ų | 39.6 | 18% | 0.176 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -79.8 | -35.6 | 171.5 | -61.4 | -38.2 | 0 | 0 | 0 | 111.1 | G527 Y528 F529 Y595 K597 | G527-D616 PolarHBondContact O-N 3.04Å; Y528-D616 WeakPolarHBondContact CA-OD2 3.45Å; F529-D616 HydrophobicContact CD2-CB 3.67Å; F529-D616 HydrophobicContact CE2-CB 3.8Å; F529-D616 PolarHBondContact N-OD2 2.78Å; Y595-D616 PolarHBondContact N-O 3.41Å; K597-D616 IonicContact NZ-OD1 3.82Å; K597-D616 PolarHBondContact NZ-OD1 2.99Å |
| 617 | V | 91.8 | Very high | 92.3 | Very high | 6 Ų | 6 | 34.3 Ų | 34.3 | 4% | 0.036 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 153.2 | 177.1 | -69.1 | 0 | 0 | 0 | 0 | 110.8 | G526 G527 F529 V540 W592 K593 P615 | G526-V617 CarbonylContact C-O 3.52Å; G526-V617 WeakPolarHBondContact CA-O 3.02Å; G527-V617 PolarHBondContact N-O 2.97Å; G527-V617 PolarHBondContact O-N 3.09Å; F529-V617 HydrophobicContact CE1-CG1 4.45Å; F529-V617 HydrophobicContact CE2-CG1 3.84Å; F529-V617 HydrophobicContact CZ-CG1 3.49Å; F529-V617 VanDerWaalsContact CZ-CG1 3.49Å; F529-V617 HydrophobicContact CZ-CG2 4.39Å; V540-V617 HydrophobicContact CG2-CG2 3.81Å; W592-V617 HydrophobicContact CB-CB 4.14Å; W592-V617 HydrophobicContact CB-CG1 4.45Å; W592-V617 HydrophobicContact CB-CG2 4.25Å; W592-V617 HydrophobicContact CD2-CB 4.41Å; W592-V617 HydrophobicContact CD2-CG2 3.78Å; W592-V617 HydrophobicContact CE3-CB 4.03Å; W592-V617 HydrophobicContact CE3-CG2 3.58Å; W592-V617 HydrophobicContact CG-CB 4.47Å; W592-V617 HydrophobicContact CG-CG2 4.07Å; W592-V617 HydrophobicContact CZ3-CG2 4.23Å; K593-V617 CarbonylContact O-C 3.41Å; K593-V617 WeakPolarHBondContact O-CA 3.39Å; K593-V617 WeakPolarHBondContact O-CB 3.48Å; P615-V617 WeakPolarHBondContact CB-O 3.38Å |
| 618 | W | 93.8 | Very high | 92.5 | Very high | 17 Ų | 17 | 35.3 Ų | 35.3 | 6% | 0.064 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 161.3 | 177.1 | 70.2 | -84.8 | 0 | 0 | 0 | 111.4 | V525 K593 V594 Y595 S604 T605 W607 A620 | V525-W618 WeakPolarHBondContact O-CA 3.35Å; K593-W618 HydrophobicContact CB-CD2 4.29Å; K593-W618 HydrophobicContact CB-CZ2 4.07Å; K593-W618 HydrophobicContact CD-CH2 3.9Å; K593-W618 HydrophobicContact CD-CZ2 3.51Å; K593-W618 HydrophobicContact CG-CZ2 4.41Å; K593-W618 PolarHBondContact N-O 3.38Å; K593-W618 VanDerWaalsContact O-CD1 3.23Å; K593-W618 PolarHBondContact O-N 3.34Å; V594-W618 PolarHBondContact O-NE1 2.83Å; Y595-W618 HydrophobicContact CD2-CB 3.94Å; Y595-W618 AromaticContact CD2-CD1 3.87Å; Y595-W618 HydrophobicContact CD2-CG 4.08Å; S604-W618 WeakPolarHBondContact O-CH2 3.46Å; T605-W618 HydrophobicContact CG2-CD2 3.57Å; T605-W618 VanDerWaalsContact CG2-CE2 3.44Å; T605-W618 HydrophobicContact CG2-CE3 4.1Å; T605-W618 HydrophobicContact CG2-CG 3.86Å; T605-W618 HydrophobicContact CG2-CH2 4.34Å; T605-W618 HydrophobicContact CG2-CZ2 3.86Å; T605-W618 HydrophobicContact CG2-CZ3 4.45Å; W607-W618 AromaticContact CZ2-CE3 3.72Å; W607-W618 HydrophobicContact CZ2-CE3 3.72Å; W607-W618 AromaticContact CZ2-CZ3 3.81Å; W607-W618 HydrophobicContact CZ2-CZ3 3.81Å; W618-A620 HydrophobicContact CZ3-CB 4.16Å |
| 619 | I | 93.4 | Very high | 92.6 | Very high | 1 Ų | 1 | 35.3 Ų | 35.3 | 1% | 0.005 | 19% | 0.185 | C | C | . | . | trans | -135.5 | 141.8 | 178.1 | -170.8 | 165.1 | 0 | 0 | 0 | 109.9 | I524 V525 L588 H591 W592 W607 S623 | I524-I619 HydrophobicContact CG2-CG2 4.34Å; V525-I619 PolarHBondContact O-N 2.91Å; V525-I619 VanDerWaalsContact O-N 3.13Å; L588-I619 HydrophobicContact CB-CD1 4.02Å; L588-I619 HydrophobicContact CD1-CD1 4.48Å; L588-I619 HydrophobicContact CD2-CD1 3.85Å; L588-I619 HydrophobicContact CG-CD1 4.32Å; H591-I619 HydrophobicContact CB-CD1 3.53Å; H591-I619 HydrophobicContact CB-CG1 3.8Å; W592-I619 HydrophobicContact CE3-CB 3.81Å; W592-I619 HydrophobicContact CE3-CG2 4.29Å; W592-I619 HydrophobicContact CH2-CB 4.31Å; W592-I619 HydrophobicContact CH2-CG2 3.96Å; W592-I619 HydrophobicContact CZ3-CB 3.62Å; W592-I619 HydrophobicContact CZ3-CG2 3.57Å; W607-I619 VanDerWaalsContact CH2-O 3.24Å; W607-I619 WeakPolarHBondContact CH2-O 3.21Å; W607-I619 WeakPolarHBondContact CZ2-O 3.34Å; I619-S623 VanDerWaalsContact CD1-O 3.3Å; I619-S623 WeakPolarHBondContact CD1-O 3.49Å | ||
| 620 | A | 91.8 | Very high | 92.4 | Very high | 36 Ų | 36 | 34.8 Ų | 34.8 | 30% | 0.298 | 18% | 0.18 | S | C | . | . | trans | -70.2 | 144.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111 | W618 R622 S623 S624 | W618-A620 HydrophobicContact CZ3-CB 4.16Å; A620-R622 VanDerWaalsContact C-N 3.27Å; A620-R622 PolarHBondContact O-N 2.94Å; A620-R622 VanDerWaalsContact O-N 3.14Å; A620-S623 PolarHBondContact O-N 3.48Å; A620-S624 PolarHBondContact O-N 2.89Å | ||
| 621 | P | 92.8 | Very high | 92 | Very high | 16 Ų | 16 | 34.1 Ų | 34.1 | 10% | 0.104 | 18% | 0.177 | C | C | . | . | G | 310 helix | trans | -53.9 | -41.3 | -175 | -30.3 | 37.6 | 0 | 0 | 0 | 113.7 | L523 F566 W607 S623 S624 W660 | L523-P621 HydrophobicContact CD2-CB 3.87Å; L523-P621 HydrophobicContact CD2-CG 4.49Å; F566-P621 HydrophobicContact CD2-CG 3.93Å; F566-P621 HydrophobicContact CE2-CB 4.02Å; F566-P621 HydrophobicContact CE2-CG 3.89Å; F566-P621 HydrophobicContact CZ-CB 4.47Å; W607-P621 HydrophobicContact CD2-CG 4.05Å; W607-P621 HydrophobicContact CE3-CG 3.54Å; W607-P621 HydrophobicContact CH2-CG 3.83Å; W607-P621 HydrophobicContact CZ2-CG 4.29Å; W607-P621 HydrophobicContact CZ3-CG 3.43Å; W607-P621 VanDerWaalsContact CZ3-CG 3.43Å; P621-S623 PolarHBondContact O-N 3.17Å; P621-S624 WeakPolarHBondContact O-CB 3.16Å; P621-S624 PolarHBondContact O-N 3.13Å; P621-S624 VanDerWaalsContact O-N 3.09Å; P621-W660 HydrophobicContact CB-CB 4.15Å; P621-W660 HydrophobicContact CB-CD2 4Å; P621-W660 HydrophobicContact CB-CE3 4.08Å; P621-W660 HydrophobicContact CB-CG 4.04Å; P621-W660 WeakPolarHBondContact O-CB 3.49Å |
| 622 | R | 91.5 | Very high | 91.5 | Very high | 175 Ų | 175 | 31.9 Ų | 31.9 | 66% | 0.66 | 17% | 0.168 | S | C | * | . | G | 310 helix | trans | -63.3 | -22 | -179.6 | -64.5 | -177.7 | -177.7 | 175 | 1.5 | 114.6 | A620 W660 | A620-R622 VanDerWaalsContact C-N 3.27Å; A620-R622 PolarHBondContact O-N 2.94Å; A620-R622 VanDerWaalsContact O-N 3.14Å; R622-W660 HydrophobicContact CG-CZ2 4.18Å |
| 623 | S | 92.6 | Very high | 91.2 | Very high | 46 Ų | 46 | 28.7 Ų | 28.7 | 32% | 0.322 | 15% | 0.145 | S | C | . | . | G | 310 helix | trans | -107 | 6.8 | 179 | -56.5 | 0 | 0 | 0 | 0 | 112.3 | I619 A620 P621 | I619-S623 VanDerWaalsContact CD1-O 3.3Å; I619-S623 WeakPolarHBondContact CD1-O 3.49Å; A620-S623 PolarHBondContact O-N 3.48Å; P621-S623 PolarHBondContact O-N 3.17Å |
| 624 | S | 94.6 | Very high | 91.1 | Very high | 24 Ų | 24 | 26.7 Ų | 26.7 | 17% | 0.168 | 14% | 0.136 | C | C | . | . | trans | -97.7 | -176.5 | -174.9 | -159 | 0 | 0 | 0 | 0 | 112.5 | I524 A620 P621 | I524-S624 WeakPolarHBondContact CB-OG 3.36Å; I524-S624 VanDerWaalsContact O-CB 3.31Å; I524-S624 WeakPolarHBondContact O-CB 3.09Å; I524-S624 PolarHBondContact O-OG 3.33Å; A620-S624 PolarHBondContact O-N 2.89Å; P621-S624 WeakPolarHBondContact O-CB 3.16Å; P621-S624 PolarHBondContact O-N 3.13Å; P621-S624 VanDerWaalsContact O-N 3.09Å | ||
| 625 | L | 94.8 | Very high | 91 | Very high | 21 Ų | 21 | 25.3 Ų | 25.3 | 11% | 0.11 | 13% | 0.134 | C | C | . | . | trans | -134 | 138.7 | -173.2 | -169.4 | 63.9 | 0 | 0 | 0 | 109.7 | I524 I584 L588 I654 | I524-L625 HydrophobicContact CD1-CB 4.23Å; I524-L625 WeakPolarHBondContact CG1-O 3.3Å; I524-L625 PolarHBondContact N-O 3.46Å; I584-L625 HydrophobicContact CG1-CD2 4.16Å; L588-L625 HydrophobicContact CD2-CB 4.36Å; L625-I654 HydrophobicContact CD1-CG2 3.95Å; L625-I654 HydrophobicContact CD2-CG2 3.32Å; L625-I654 HydrophobicContact CG-CG2 3.73Å | ||
| 626 | V | 96.7 | Very high | 90.8 | Very high | 2 Ų | 2 | 33.7 Ų | 33.7 | 1% | 0.012 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 133.2 | 174.5 | 179.9 | 0 | 0 | 0 | 0 | 109 | D521 L523 R655 K658 | D521-V626 HydrophobicContact CB-CG1 3.89Å; L523-V626 HydrophobicContact CD1-CG2 3.89Å; V626-R655 HydrophobicContact CB-CB 4Å; V626-R655 HydrophobicContact CG1-CB 3.99Å; V626-R655 HydrophobicContact CG1-CG 4.33Å; V626-R655 WeakPolarHBondContact O-CB 3.32Å; V626-R655 PolarHBondContact O-N 3.48Å; V626-K658 HydrophobicContact CB-CB 4.22Å; V626-K658 HydrophobicContact CG1-CB 4.34Å; V626-K658 HydrophobicContact CG1-CD 4.46Å; V626-K658 HydrophobicContact CG2-CB 4.24Å |
| 627 | L | 96.5 | Very high | 90.7 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 133 | 174.3 | -62.2 | -177.2 | 0 | 0 | 0 | 109.2 | C522 I524 V572 I584 L629 V651 I654 | C522-L627 PolarHBondContact N-O 2.94Å; C522-L627 PolarHBondContact O-N 2.87Å; I524-L627 HydrophobicContact CD1-CD1 3.66Å; I524-L627 HydrophobicContact CD1-CD2 4.14Å; I524-L627 HydrophobicContact CD1-CG 3.79Å; I524-L627 HydrophobicContact CG1-CD1 3.66Å; I524-L627 HydrophobicContact CG1-CG 3.8Å; V572-L627 HydrophobicContact CG1-CD1 4.37Å; I584-L627 HydrophobicContact CD1-CD2 4.47Å; L627-L629 HydrophobicContact CB-CD2 3.77Å; L627-L629 HydrophobicContact CB-CG 4.45Å; L627-L629 HydrophobicContact CD1-CD2 4.45Å; L627-L629 PolarHBondContact O-N 3.41Å; L627-V651 HydrophobicContact CB-CG1 4.32Å; L627-V651 HydrophobicContact CD1-CG1 4.48Å; L627-V651 HydrophobicContact CD1-CG2 3.9Å; L627-V651 HydrophobicContact CD2-CG1 4.14Å; L627-I654 HydrophobicContact CD2-CB 4.5Å; L627-I654 HydrophobicContact CD2-CG1 4.14Å; L627-I654 HydrophobicContact CD2-CG2 4.38Å |
| 628 | Q | 95.1 | Very high | 90.5 | Very high | 42 Ų | 42 | 37.8 Ų | 37.8 | 20% | 0.196 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 113.4 | 167.1 | -175.5 | 171.9 | -7 | 0 | 0 | 108 | D519 D521 V652 A653 R655 | D519-Q628 HydrophobicContact CB-CG 3.56Å; D519-Q628 PolarHBondContact OD2-NE2 2.83Å; D521-Q628 WeakPolarHBondContact OD1-CB 3.15Å; Q628-V652 HydrophobicContact CG-CB 4.43Å; Q628-V652 PolarHBondContact O-N 3.39Å; Q628-A653 HydrophobicContact CB-CB 4.04Å; Q628-A653 PolarHBondContact N-O 2.96Å; Q628-R655 HydrophobicContact CB-CG 3.95Å |
| 629 | L | 93.1 | Very high | 90.3 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 138.6 | -177.1 | -54.7 | -173.5 | 0 | 0 | 0 | 110.3 | D519 L520 C522 C545 C570 V572 L627 L646 R650 V651 | D519-L629 CarbonylContact C-O 3.57Å; D519-L629 WeakPolarHBondContact CA-O 3.31Å; L520-L629 PolarHBondContact N-O 3.24Å; L520-L629 PolarHBondContact O-N 2.92Å; C522-L629 HydrophobicContact CB-CD1 3.77Å; C522-L629 HydrophobicContact CB-CG 4.27Å; C545-L629 HydrophobicContact CB-CD1 4.02Å; C570-L629 VanDerWaalsContact SG-CD1 3.52Å; V572-L629 HydrophobicContact CB-CD2 4.45Å; V572-L629 HydrophobicContact CG1-CD2 4.16Å; V572-L629 HydrophobicContact CG2-CD2 4.32Å; L627-L629 HydrophobicContact CB-CD2 3.77Å; L627-L629 HydrophobicContact CB-CG 4.45Å; L627-L629 HydrophobicContact CD1-CD2 4.45Å; L627-L629 PolarHBondContact O-N 3.41Å; L629-L646 HydrophobicContact CB-CD2 4.06Å; L629-R650 CarbonylContact C-O 3.53Å; L629-R650 WeakPolarHBondContact CA-O 3.47Å; L629-V651 HydrophobicContact CD2-CG2 3.98Å |
| 630 | H | 87.6 | Confident | 90.4 | Very high | 12 Ų | 12 | 40.5 Ų | 40.5 | 6% | 0.056 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 142.1 | 172.7 | -174.8 | 99.3 | 0 | 0 | 0 | 109.2 | D519 P649 R650 V652 | D519-H630 WeakPolarHBondContact OD1-CB 3.39Å; D519-H630 IonicContact OD1-CE1 2.63Å; D519-H630 IonicContact OD1-CG 3.76Å; D519-H630 IonicContact OD1-ND1 2.66Å; D519-H630 PolarHBondContact OD1-ND1 2.75Å; H630-P649 CarbonylContact O-C 3.5Å; H630-P649 WeakPolarHBondContact O-CA 3.34Å; H630-R650 HydrophobicContact CB-CG 3.91Å; H630-R650 VanDerWaalsContact CD2-CZ 3.47Å; H630-R650 PolarHBondContact CD2-NE 2.87Å; H630-R650 VanDerWaalsContact CD2-NE 3.26Å; H630-R650 PolarHBondContact CD2-NH2 2.88Å; H630-R650 PolarHBondContact N-O 3.17Å; H630-R650 PolarHBondContact NE2-NH2 2.59Å; H630-R650 PolarHBondContact O-N 2.98Å; H630-V652 HydrophobicContact CB-CG2 3.35Å |
| 631 | G | 84.3 | Confident | 90.4 | Very high | 2 Ų | 2 | 40.3 Ų | 40.3 | 2% | 0.021 | 21% | 0.21 | C | C | . | . | trans | -158 | 170.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | L517 R647 | L517-G631 VanDerWaalsContact CD1-O 3.28Å; L517-G631 WeakPolarHBondContact CD1-O 3.27Å; G631-R647 WeakPolarHBondContact CA-O 3.25Å | ||
| 632 | A | 76.6 | Confident | 90.3 | Very high | 28 Ų | 28 | 40 Ų | 40 | 23% | 0.231 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -79.7 | -40.2 | -173 | 0 | 0 | 0 | 0 | 0 | 112.7 | R647 F648 | A632-R647 PolarHBondContact N-O 3.16Å; A632-F648 HydrophobicContact CB-CD2 4.23Å |
| 633 | E | 84.3 | Confident | 90.2 | Very high | 11 Ų | 11 | 33.5 Ų | 33.5 | 5% | 0.051 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.1 | 158.9 | -174.7 | 58.1 | -179.1 | -162.9 | 0 | 0 | 111.2 | I635 R647 G678 K679 | E633-I635 HydrophobicContact CG-CG2 3.93Å; E633-I635 WeakPolarHBondContact OE1-CG2 3.25Å; E633-R647 HydrophobicContact CG-CB 3.73Å; E633-R647 HydrophobicContact CG-CG 4.35Å; E633-R647 WeakPolarHBondContact O-CB 3.47Å; E633-R647 PolarHBondContact O-N 2.95Å; E633-R647 WeakPolarHBondContact OE1-CD 3.22Å; E633-R647 IonicContact OE1-CZ 2.66Å; E633-R647 IonicContact OE1-NE 3.52Å; E633-R647 IonicContact OE1-NH1 3.35Å; E633-R647 PolarHBondContact OE1-NH1 3.46Å; E633-G678 CarbonylContact C-O 3.39Å; E633-G678 WeakPolarHBondContact CA-O 3.46Å; E633-G678 VanDerWaalsContact CB-O 3.29Å; E633-G678 WeakPolarHBondContact CB-O 3.44Å; E633-K679 HydrophobicContact CB-CD 4.25Å; E633-K679 WeakPolarHBondContact OE2-CE 3.41Å; E633-K679 IonicContact OE2-NZ 3.34Å; E633-K679 PolarHBondContact OE2-NZ 2.99Å |
| 634 | L | 89.4 | Confident | 90.2 | Very high | 8 Ų | 8 | 32.1 Ų | 32.1 | 4% | 0.042 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 131.1 | 167 | -60.1 | 175.7 | 0 | 0 | 0 | 108.9 | L520 F569 T645 L646 L669 L672 N673 G678 L680 | L520-L634 HydrophobicContact CD1-CD2 4.07Å; F569-L634 HydrophobicContact CE2-CD2 4.02Å; F569-L634 HydrophobicContact CZ-CD2 3.59Å; L634-T645 WeakPolarHBondContact CA-O 3.49Å; L634-L646 HydrophobicContact CD2-CD1 4.04Å; L634-L669 HydrophobicContact CD1-CD1 3.86Å; L634-L669 HydrophobicContact CD2-CD1 3.97Å; L634-L672 HydrophobicContact CD1-CG 4.5Å; L634-N673 WeakPolarHBondContact CB-OD1 3.34Å; L634-N673 HydrophobicContact CD1-CB 3.81Å; L634-G678 PolarHBondContact N-O 3.42Å; L634-L680 HydrophobicContact CD1-CD2 4.14Å; L634-L680 HydrophobicContact CG-CD2 4.07Å; L634-L680 HydrophobicContact CG-CG 4.47Å |
| 635 | I | 88.3 | Confident | 90.1 | Very high | 52 Ų | 52 | 31.6 Ų | 31.6 | 27% | 0.267 | 18% | 0.18 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 152.3 | 178.3 | 62.5 | 176 | 0 | 0 | 0 | 110.2 | E633 I644 T645 R647 | E633-I635 HydrophobicContact CG-CG2 3.93Å; E633-I635 WeakPolarHBondContact OE1-CG2 3.25Å; I635-I644 CarbonylContact O-C 3.4Å; I635-I644 VanDerWaalsContact O-CA 3.25Å; I635-I644 WeakPolarHBondContact O-CA 3.37Å; I635-T645 HydrophobicContact CD1-CG2 4.08Å; I635-T645 HydrophobicContact CG1-CG2 3.57Å; I635-T645 PolarHBondContact N-O 2.85Å; I635-T645 PolarHBondContact O-N 2.95Å; I635-R647 HydrophobicContact CD1-CB 4.26Å; I635-R647 HydrophobicContact CD1-CG 4.45Å; I635-R647 HydrophobicContact CG2-CB 4.37Å |
| 636 | Q | 88.3 | Confident | 90 | Very high | 176 Ų | 176 | 30.8 Ų | 30.8 | 82% | 0.822 | 18% | 0.176 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -63.7 | 142.7 | 172.3 | -68.6 | -178.1 | -13.4 | 0 | 0 | 111.2 | G643 | Q636-G643 CarbonylContact C-O 3.57Å; Q636-G643 WeakPolarHBondContact CA-O 3.35Å |
| 637 | S | 88.2 | Confident | 89.5 | Confident | 19 Ų | 19 | 32.6 Ų | 32.6 | 13% | 0.133 | 18% | 0.183 | C | C | . | . | trans | -154.6 | 124.6 | 178 | -173.2 | 0 | 0 | 0 | 0 | 113.1 | S639 G643 T645 | S637-S639 PolarHBondContact O-N 2.86Å; S637-S639 WeakPolarHBondContact OG-CB 3.45Å; S637-S639 PolarHBondContact OG-N 2.84Å; S637-G643 PolarHBondContact N-O 2.78Å; S637-G643 CarbonylContact O-C 3.6Å; S637-T645 VanDerWaalsContact CB-CG2 3.49Å | ||
| 638 | D | 87.5 | Confident | 88.9 | Confident | 105 Ų | 105 | 39 Ų | 39 | 56% | 0.561 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.6 | -6.6 | 171.6 | -51.7 | -41 | 0 | 0 | 0 | 112.2 | K374 N611 | K374-D638 IonicContact NZ-OD2 2.66Å; K374-D638 PolarHBondContact NZ-OD2 3.29Å; N611-D638 PolarHBondContact ND2-O 3.45Å |
| 639 | S | 89.3 | Confident | 88.6 | Confident | 46 Ų | 46 | 38.1 Ų | 38.1 | 32% | 0.322 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | -25.4 | -175.8 | -61.3 | 0 | 0 | 0 | 0 | 113.7 | S612 E613 S637 | S612-S639 PolarHBondContact N-O 3.07Å; S612-S639 WeakPolarHBondContact OG-CA 3.38Å; E613-S639 WeakPolarHBondContact CB-O 3.37Å; E613-S639 PolarHBondContact N-O 3.1Å; S637-S639 PolarHBondContact O-N 2.86Å; S637-S639 WeakPolarHBondContact OG-CB 3.45Å; S637-S639 PolarHBondContact OG-N 2.84Å |
| 640 | Y | 94.1 | Very high | 88.4 | Confident | 29 Ų | 29 | 41.4 Ų | 41.4 | 11% | 0.114 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -122.5 | 149.1 | -171.9 | -57.2 | -79.1 | 0 | 0 | 0 | 109.8 | L544 T568 F569 K571 E613 C642 G643 T645 | L544-Y640 HydrophobicContact CD1-CD1 4.11Å; L544-Y640 HydrophobicContact CD1-CE1 3.83Å; T568-Y640 WeakPolarHBondContact O-CB 3.46Å; F569-Y640 WeakPolarHBondContact O-CD2 2.9Å; F569-Y640 VanDerWaalsContact O-CG 3.28Å; K571-Y640 HydrophobicContact CB-CE1 4.48Å; K571-Y640 WeakPolarHBondContact CB-OH 3.47Å; K571-Y640 PolarHBondContact N-OH 2.85Å; E613-Y640 HydrophobicContact CB-CD1 4.35Å; E613-Y640 HydrophobicContact CB-CE1 4.06Å; E613-Y640 HydrophobicContact CG-CE1 3.87Å; Y640-C642 PolarHBondContact O-N 2.87Å; Y640-G643 PolarHBondContact O-N 2.81Å; Y640-T645 HydrophobicContact CD2-CG2 4.32Å; Y640-T645 HydrophobicContact CE2-CG2 4.28Å; Y640-T645 WeakPolarHBondContact CE2-OG1 3.37Å |
| 641 | S | 92.2 | Very high | 88.6 | Confident | 32 Ų | 32 | 41.1 Ų | 41.1 | 22% | 0.224 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | -12.8 | -174.2 | 66.6 | 0 | 0 | 0 | 0 | 114.1 | Y567 T568 C609 G643 | Y567-S641 WeakPolarHBondContact CA-OG 3.47Å; Y567-S641 WeakPolarHBondContact CB-OG 3.29Å; T568-S641 PolarHBondContact N-OG 3.18Å; T568-S641 PolarHBondContact O-N 3.24Å; T568-S641 PolarHBondContact O-OG 2.78Å; T568-S641 PolarHBondContact OG1-N 2.88Å; T568-S641 PolarHBondContact OG1-OG 2.78Å; T568-S641 VanDerWaalsContact OG1-OG 3.09Å; C609-S641 WeakPolarHBondContact O-CB 3.4Å; C609-S641 PolarHBondContact O-OG 2.93Å; S641-G643 PolarHBondContact O-N 2.78Å |
| 642 | C | 91.4 | Very high | 88.7 | Confident | 11 Ų | 11 | 42.8 Ų | 42.8 | 7% | 0.074 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -17.6 | 171.4 | -67.8 | 0 | 0 | 0 | 0 | 112.8 | V547 Y567 T568 F569 Y640 I644 M666 | V547-C642 WeakPolarHBondContact CG2-SG 3.35Å; Y567-C642 WeakPolarHBondContact CB-SG 3.45Å; Y567-C642 PolarHBondContact O-SG 3.29Å; Y567-C642 VanDerWaalsContact O-SG 3.32Å; T568-C642 PolarHBondContact O-N 3.11Å; T568-C642 PolarHBondContact O-SG 3.12Å; F569-C642 HydrophobicContact CD2-CB 4.27Å; Y640-C642 PolarHBondContact O-N 2.87Å; C642-I644 HydrophobicContact CB-CG1 4.11Å; C642-I644 WeakPolarHBondContact CB-O 3.29Å; C642-I644 PolarHBondContact O-N 2.82Å; C642-M666 HydrophobicContact CB-CE 4.26Å; C642-M666 HydrophobicContact CB-SD 4.37Å; C642-M666 WeakPolarHBondContact O-CE 3.34Å |
| 643 | G | 89.7 | Confident | 89.4 | Confident | 38 Ų | 38 | 42.8 Ų | 42.8 | 39% | 0.392 | 23% | 0.23 | S | C | . | . | S | Bend | trans | 72.1 | -12 | -169.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q636 S637 Y640 S641 | Q636-G643 CarbonylContact C-O 3.57Å; Q636-G643 WeakPolarHBondContact CA-O 3.35Å; S637-G643 PolarHBondContact N-O 2.78Å; S637-G643 CarbonylContact O-C 3.6Å; Y640-G643 PolarHBondContact O-N 2.81Å; S641-G643 PolarHBondContact O-N 2.78Å |
| 644 | I | 91.4 | Very high | 89.9 | Confident | 17 Ų | 17 | 43.4 Ų | 43.4 | 9% | 0.087 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 152.5 | 173.5 | 54.2 | 176.3 | 0 | 0 | 0 | 110.3 | F569 I635 C642 L669 | F569-I644 VanDerWaalsContact CD2-O 3.29Å; F569-I644 WeakPolarHBondContact CD2-O 3.32Å; F569-I644 HydrophobicContact CE2-CG1 4.43Å; I635-I644 CarbonylContact O-C 3.4Å; I635-I644 VanDerWaalsContact O-CA 3.25Å; I635-I644 WeakPolarHBondContact O-CA 3.37Å; C642-I644 HydrophobicContact CB-CG1 4.11Å; C642-I644 WeakPolarHBondContact CB-O 3.29Å; C642-I644 PolarHBondContact O-N 2.82Å; I644-L669 HydrophobicContact CD1-CD1 4.29Å; I644-L669 HydrophobicContact CD1-CD2 3.49Å; I644-L669 VanDerWaalsContact CD1-CD2 3.49Å; I644-L669 HydrophobicContact CD1-CG 3.56Å; I644-L669 HydrophobicContact CG1-CD2 3.89Å; I644-L669 HydrophobicContact CG1-CG 4.47Å |
| 645 | T | 93.6 | Very high | 90.1 | Very high | 12 Ų | 12 | 45 Ų | 45 | 7% | 0.074 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 159.3 | 176.6 | -177.5 | 0 | 0 | 0 | 0 | 110.4 | F569 C570 L634 I635 S637 Y640 | F569-T645 WeakPolarHBondContact O-CA 3.5Å; F569-T645 VanDerWaalsContact O-CB 3.26Å; F569-T645 WeakPolarHBondContact O-CB 3.47Å; F569-T645 PolarHBondContact O-OG1 2.7Å; F569-T645 VanDerWaalsContact O-OG1 3.08Å; C570-T645 WeakPolarHBondContact CB-OG1 3.35Å; L634-T645 WeakPolarHBondContact CA-O 3.49Å; I635-T645 HydrophobicContact CD1-CG2 4.08Å; I635-T645 HydrophobicContact CG1-CG2 3.57Å; I635-T645 PolarHBondContact N-O 2.85Å; I635-T645 PolarHBondContact O-N 2.95Å; S637-T645 VanDerWaalsContact CB-CG2 3.49Å; Y640-T645 HydrophobicContact CD2-CG2 4.32Å; Y640-T645 HydrophobicContact CE2-CG2 4.28Å; Y640-T645 WeakPolarHBondContact CE2-OG1 3.37Å |
| 646 | L | 91.7 | Very high | 90.2 | Very high | 5 Ų | 5 | 48 Ų | 48 | 3% | 0.026 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 129.1 | 172.1 | -170.2 | 59.4 | 0 | 0 | 0 | 111.2 | L520 F569 C570 L629 L634 P649 L680 | L520-L646 HydrophobicContact CD1-CD1 4.19Å; L520-L646 HydrophobicContact CD1-CD2 4.36Å; F569-L646 HydrophobicContact CE1-CB 3.85Å; F569-L646 HydrophobicContact CZ-CB 3.74Å; C570-L646 HydrophobicContact CB-CB 4.31Å; L629-L646 HydrophobicContact CB-CD2 4.06Å; L634-L646 HydrophobicContact CD2-CD1 4.04Å; L646-P649 HydrophobicContact CB-CB 4.36Å; L646-P649 HydrophobicContact CD2-CB 3.95Å; L646-P649 HydrophobicContact CG-CB 4.22Å; L646-P649 WeakPolarHBondContact O-CD 3.45Å; L646-L680 HydrophobicContact CD1-CD1 3.53Å |
| 647 | R | 87.1 | Confident | 90.4 | Very high | 40 Ų | 40 | 45 Ų | 45 | 15% | 0.151 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 131.7 | 172.2 | -167.7 | 178.8 | 177.9 | -167.5 | -4.9 | 110 | D299 G631 A632 E633 I635 | D299-R647 IonicContact OD1-NH2 2.71Å; D299-R647 PolarHBondContact OD1-NH2 2.67Å; D299-R647 IonicContact OD2-CZ 2.67Å; D299-R647 IonicContact OD2-NH1 3.67Å; D299-R647 PolarHBondContact OD2-NH1 3.35Å; D299-R647 IonicContact OD2-NH2 3.56Å; D299-R647 PolarHBondContact OD2-NH2 2.61Å; G631-R647 WeakPolarHBondContact CA-O 3.25Å; A632-R647 PolarHBondContact N-O 3.16Å; E633-R647 HydrophobicContact CG-CB 3.73Å; E633-R647 HydrophobicContact CG-CG 4.35Å; E633-R647 WeakPolarHBondContact O-CB 3.47Å; E633-R647 PolarHBondContact O-N 2.95Å; E633-R647 WeakPolarHBondContact OE1-CD 3.22Å; E633-R647 IonicContact OE1-CZ 2.66Å; E633-R647 IonicContact OE1-NE 3.52Å; E633-R647 IonicContact OE1-NH1 3.35Å; E633-R647 PolarHBondContact OE1-NH1 3.46Å; I635-R647 HydrophobicContact CD1-CB 4.26Å; I635-R647 HydrophobicContact CD1-CG 4.45Å; I635-R647 HydrophobicContact CG2-CB 4.37Å |
| 648 | F | 82.9 | Confident | 90.6 | Very high | 135 Ų | 135 | 47 Ų | 47 | 59% | 0.592 | 25% | 0.248 | S | C | * | . | S | Bend | trans | 55 | 51.2 | -176.4 | -50.5 | -46.8 | 0 | 0 | 0 | 115.3 | A632 R650 | A632-F648 HydrophobicContact CB-CD2 4.23Å; F648-R650 PolarHBondContact O-N 2.99Å |
| 649 | P | 89.5 | Confident | 90.7 | Very high | 23 Ų | 23 | 45.6 Ų | 45.6 | 15% | 0.149 | 24% | 0.24 | C | C | . | . | trans | -65.2 | 134.4 | -177.7 | 29.4 | -34.7 | 0 | 0 | 0 | 111.6 | K571 V572 S574 H630 L646 | K571-P649 VanDerWaalsContact O-CG 3.25Å; K571-P649 WeakPolarHBondContact O-CG 3.37Å; V572-P649 HydrophobicContact CB-CB 4.39Å; V572-P649 HydrophobicContact CG2-CB 4.32Å; S574-P649 PolarHBondContact OG-O 3.17Å; H630-P649 CarbonylContact O-C 3.5Å; H630-P649 WeakPolarHBondContact O-CA 3.34Å; L646-P649 HydrophobicContact CB-CB 4.36Å; L646-P649 HydrophobicContact CD2-CB 3.95Å; L646-P649 HydrophobicContact CG-CB 4.22Å; L646-P649 WeakPolarHBondContact O-CD 3.45Å | ||
| 650 | R | 89.8 | Confident | 90.8 | Very high | 69 Ų | 69 | 44.3 Ų | 44.3 | 26% | 0.26 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 144.6 | 170.2 | 65.5 | -176 | -179.6 | -159.9 | -5.1 | 110.4 | D511 L629 H630 F648 | D511-R650 PolarHBondContact O-NH2 2.99Å; L629-R650 CarbonylContact C-O 3.53Å; L629-R650 WeakPolarHBondContact CA-O 3.47Å; H630-R650 HydrophobicContact CB-CG 3.91Å; H630-R650 VanDerWaalsContact CD2-CZ 3.47Å; H630-R650 PolarHBondContact CD2-NE 2.87Å; H630-R650 VanDerWaalsContact CD2-NE 3.26Å; H630-R650 PolarHBondContact CD2-NH2 2.88Å; H630-R650 PolarHBondContact N-O 3.17Å; H630-R650 PolarHBondContact NE2-NH2 2.59Å; H630-R650 PolarHBondContact O-N 2.98Å; F648-R650 PolarHBondContact O-N 2.99Å |
| 651 | V | 91.2 | Very high | 90.6 | Very high | 5 Ų | 5 | 47.4 Ų | 47.4 | 3% | 0.03 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 127.9 | 172.7 | -172.6 | 0 | 0 | 0 | 0 | 109.3 | V572 S574 G575 L576 L627 L629 | V572-V651 HydrophobicContact CG1-CG2 4.07Å; V572-V651 HydrophobicContact CG2-CG2 3.72Å; S574-V651 PolarHBondContact O-N 2.88Å; G575-V651 CarbonylContact C-O 3.48Å; G575-V651 WeakPolarHBondContact CA-O 3.28Å; L576-V651 HydrophobicContact CD1-CG2 4.26Å; L576-V651 HydrophobicContact CD2-CB 4.17Å; L576-V651 HydrophobicContact CD2-CG1 3.8Å; L576-V651 HydrophobicContact CG-CB 4Å; L576-V651 HydrophobicContact CG-CG1 4.18Å; L576-V651 HydrophobicContact CG-CG2 4.03Å; L627-V651 HydrophobicContact CB-CG1 4.32Å; L627-V651 HydrophobicContact CD1-CG1 4.48Å; L627-V651 HydrophobicContact CD1-CG2 3.9Å; L627-V651 HydrophobicContact CD2-CG1 4.14Å; L629-V651 HydrophobicContact CD2-CG2 3.98Å |
| 652 | V | 87.2 | Confident | 90.5 | Very high | 37 Ų | 37 | 49.6 Ų | 49.6 | 22% | 0.224 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | -44.9 | 173.4 | 177.8 | 0 | 0 | 0 | 0 | 110.4 | Q628 H630 A745 | Q628-V652 HydrophobicContact CG-CB 4.43Å; Q628-V652 PolarHBondContact O-N 3.39Å; H630-V652 HydrophobicContact CB-CG2 3.35Å; V652-A745 WeakPolarHBondContact O-CA 3.42Å; V652-A745 WeakPolarHBondContact O-CB 3.25Å |
| 653 | A | 90.2 | Very high | 90.6 | Very high | 28 Ų | 28 | 49.1 Ų | 49.1 | 23% | 0.231 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 154.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q628 | Q628-A653 HydrophobicContact CB-CB 4.04Å; Q628-A653 PolarHBondContact N-O 2.96Å |
| 654 | I | 94 | Very high | 90.8 | Very high | 25 Ų | 25 | 48.2 Ų | 48.2 | 13% | 0.128 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 117.3 | 169 | -56.9 | 172.5 | 0 | 0 | 0 | 106.9 | L576 Q580 I584 L625 L627 H656 | L576-I654 HydrophobicContact CD2-CD1 4Å; L576-I654 HydrophobicContact CD2-CG1 4Å; Q580-I654 HydrophobicContact CB-CD1 4.07Å; Q580-I654 HydrophobicContact CG-CD1 4.1Å; I584-I654 HydrophobicContact CD1-CD1 3.7Å; I584-I654 HydrophobicContact CD1-CG1 4.19Å; I584-I654 HydrophobicContact CG1-CD1 3.95Å; L625-I654 HydrophobicContact CD1-CG2 3.95Å; L625-I654 HydrophobicContact CD2-CG2 3.32Å; L625-I654 HydrophobicContact CG-CG2 3.73Å; L627-I654 HydrophobicContact CD2-CB 4.5Å; L627-I654 HydrophobicContact CD2-CG1 4.14Å; L627-I654 HydrophobicContact CD2-CG2 4.38Å; I654-H656 VanDerWaalsContact CG2-NE2 3.3Å; I654-H656 WeakPolarHBondContact CG2-NE2 3.47Å; I654-H656 PolarHBondContact O-N 3.37Å; I654-H656 VanDerWaalsContact O-N 3.15Å |
| 655 | R | 93.6 | Very high | 90.9 | Very high | 42 Ų | 42 | 47.5 Ų | 47.5 | 16% | 0.158 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 73.7 | -171.9 | -62.6 | -60.9 | -59.4 | -85.3 | 2.4 | 111.2 | D521 V626 Q628 D657 K658 | D521-R655 IonicContact OD1-CZ 2.8Å; D521-R655 IonicContact OD1-NH1 3.73Å; D521-R655 PolarHBondContact OD1-NH1 2.82Å; D521-R655 IonicContact OD2-CZ 2.92Å; D521-R655 IonicContact OD2-NH1 3.47Å; D521-R655 PolarHBondContact OD2-NH1 3.11Å; V626-R655 HydrophobicContact CB-CB 4Å; V626-R655 HydrophobicContact CG1-CB 3.99Å; V626-R655 HydrophobicContact CG1-CG 4.33Å; V626-R655 WeakPolarHBondContact O-CB 3.32Å; V626-R655 PolarHBondContact O-N 3.48Å; Q628-R655 HydrophobicContact CB-CG 3.95Å; R655-D657 WeakPolarHBondContact CA-OD1 3.31Å; R655-D657 IonicContact CZ-OD1 2.79Å; R655-D657 IonicContact CZ-OD2 3.64Å; R655-D657 IonicContact NE-OD1 3.56Å; R655-D657 PolarHBondContact NE-OD1 3.35Å; R655-D657 IonicContact NE-OD2 3.56Å; R655-D657 PolarHBondContact NE-OD2 3.08Å; R655-D657 IonicContact NH2-OD1 4Å; R655-D657 IonicContact NH2-OD2 3.62Å; R655-D657 PolarHBondContact NH2-OD2 2.88Å; R655-D657 PolarHBondContact O-N 3.07Å; R655-K658 HydrophobicContact CB-CB 4.1Å; R655-K658 HydrophobicContact CB-CG 4.38Å; R655-K658 PolarHBondContact O-N 2.97Å |
| 656 | H | 91.9 | Very high | 90.8 | Very high | 113 Ų | 113 | 48.6 Ų | 48.6 | 52% | 0.523 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64 | -20.2 | 174.3 | -64.9 | -76.6 | 0 | 0 | 0 | 113.1 | I654 | I654-H656 VanDerWaalsContact CG2-NE2 3.3Å; I654-H656 WeakPolarHBondContact CG2-NE2 3.47Å; I654-H656 PolarHBondContact O-N 3.37Å; I654-H656 VanDerWaalsContact O-N 3.15Å |
| 657 | D | 92.2 | Very high | 90.8 | Very high | 114 Ų | 114 | 51.3 Ų | 51.3 | 61% | 0.61 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.9 | -15.3 | 177 | 62.8 | -54.2 | 0 | 0 | 0 | 113.6 | R655 | R655-D657 WeakPolarHBondContact CA-OD1 3.31Å; R655-D657 IonicContact CZ-OD1 2.79Å; R655-D657 IonicContact CZ-OD2 3.64Å; R655-D657 IonicContact NE-OD1 3.56Å; R655-D657 PolarHBondContact NE-OD1 3.35Å; R655-D657 IonicContact NE-OD2 3.56Å; R655-D657 PolarHBondContact NE-OD2 3.08Å; R655-D657 IonicContact NH2-OD1 4Å; R655-D657 IonicContact NH2-OD2 3.62Å; R655-D657 PolarHBondContact NH2-OD2 2.88Å; R655-D657 PolarHBondContact O-N 3.07Å |
| 658 | K | 91.2 | Very high | 91 | Very high | 62 Ų | 62 | 53.7 Ų | 53.7 | 27% | 0.27 | 27% | 0.265 | S | S | . | . | trans | -108.3 | 138.8 | -179 | -73.6 | -166.7 | 159.9 | -161.5 | 0 | 112 | D521 V626 R655 D662 | D521-K658 HydrophobicContact CB-CD 4.19Å; D521-K658 VanDerWaalsContact OD2-CE 3.25Å; D521-K658 WeakPolarHBondContact OD2-CE 3.49Å; D521-K658 IonicContact OD2-NZ 3.94Å; D521-K658 PolarHBondContact OD2-NZ 3.21Å; V626-K658 HydrophobicContact CB-CB 4.22Å; V626-K658 HydrophobicContact CG1-CB 4.34Å; V626-K658 HydrophobicContact CG1-CD 4.46Å; V626-K658 HydrophobicContact CG2-CB 4.24Å; R655-K658 HydrophobicContact CB-CB 4.1Å; R655-K658 HydrophobicContact CB-CG 4.38Å; R655-K658 PolarHBondContact O-N 2.97Å; K658-D662 HydrophobicContact CB-CB 4.26Å; K658-D662 HydrophobicContact CD-CB 4.35Å; K658-D662 HydrophobicContact CG-CB 4.29Å; K658-D662 PolarHBondContact NZ-O 3.37Å | ||
| 659 | N | 89.7 | Confident | 91.4 | Very high | 75 Ų | 75 | 47.2 Ų | 47.2 | 40% | 0.401 | 24% | 0.237 | S | C | . | . | trans | -88.7 | 167.2 | 170.4 | -161.6 | -6.1 | 0 | 0 | 0 | 110.5 | R661 D662 | N659-R661 PolarHBondContact O-N 3.44Å; N659-D662 WeakPolarHBondContact CB-OD2 3.48Å; N659-D662 PolarHBondContact N-OD2 3.13Å; N659-D662 PolarHBondContact O-N 3.13Å | ||
| 660 | W | 91.2 | Very high | 91.5 | Very high | 19 Ų | 19 | 50 Ų | 50 | 7% | 0.072 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -18.4 | 174.2 | 67.4 | -95.6 | 0 | 0 | 0 | 114.2 | L523 T564 F566 P621 R622 S663 | L523-W660 HydrophobicContact CD1-CB 3.72Å; L523-W660 HydrophobicContact CD2-CB 3.77Å; L523-W660 HydrophobicContact CG-CB 4.4Å; T564-W660 HydrophobicContact CG2-CZ3 4.23Å; F566-W660 AromaticContact CE2-CE3 3.87Å; F566-W660 HydrophobicContact CE2-CE3 3.87Å; F566-W660 HydrophobicContact CE2-CZ3 4.07Å; F566-W660 AromaticContact CZ-CE3 3.69Å; F566-W660 HydrophobicContact CZ-CE3 3.69Å; F566-W660 HydrophobicContact CZ-CZ3 4.22Å; P621-W660 HydrophobicContact CB-CB 4.15Å; P621-W660 HydrophobicContact CB-CD2 4Å; P621-W660 HydrophobicContact CB-CE3 4.08Å; P621-W660 HydrophobicContact CB-CG 4.04Å; P621-W660 WeakPolarHBondContact O-CB 3.49Å; R622-W660 HydrophobicContact CG-CZ2 4.18Å; W660-S663 PolarHBondContact O-OG 3.02Å; W660-S663 VanDerWaalsContact O-OG 3.06Å |
| 661 | R | 90.5 | Very high | 91.4 | Very high | 94 Ų | 94 | 52.4 Ų | 52.4 | 36% | 0.355 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | -25.7 | 175 | -63.9 | -177.7 | 176.7 | 91.8 | -6.6 | 112.9 | R548 Y553 N659 | R548-R661 PolarHBondContact NE-O 2.69Å; Y553-R661 PolarHBondContact OH-NE 2.92Å; N659-R661 PolarHBondContact O-N 3.44Å |
| 662 | D | 90.8 | Very high | 91.2 | Very high | 77 Ų | 77 | 52.7 Ų | 52.7 | 41% | 0.412 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -96.3 | 6.1 | -175.9 | -45.1 | -50.1 | 0 | 0 | 0 | 112.3 | K658 N659 | K658-D662 HydrophobicContact CB-CB 4.26Å; K658-D662 HydrophobicContact CD-CB 4.35Å; K658-D662 HydrophobicContact CG-CB 4.29Å; K658-D662 PolarHBondContact NZ-O 3.37Å; N659-D662 WeakPolarHBondContact CB-OD2 3.48Å; N659-D662 PolarHBondContact N-OD2 3.13Å; N659-D662 PolarHBondContact O-N 3.13Å |
| 663 | S | 92.6 | Very high | 91.2 | Very high | 1 Ų | 1 | 53.2 Ų | 53.2 | 1% | 0.007 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -68.3 | 151.6 | 169.7 | 64.5 | 0 | 0 | 0 | 0 | 110.3 | D521 W660 S665 | D521-S663 WeakPolarHBondContact O-CA 3.25Å; W660-S663 PolarHBondContact O-OG 3.02Å; W660-S663 VanDerWaalsContact O-OG 3.06Å; S663-S665 PolarHBondContact O-N 3.29Å |
| 664 | L | 94.3 | Very high | 90.9 | Very high | 19 Ų | 19 | 56.7 Ų | 56.7 | 10% | 0.099 | 28% | 0.283 | C | S | . | . | trans | -44.1 | 130.4 | 176.6 | -175.2 | 67.7 | 0 | 0 | 0 | 111.5 | L520 D521 V547 R548 E668 L669 | L520-L664 HydrophobicContact CB-CD2 4.09Å; L520-L664 HydrophobicContact CD1-CD2 4.43Å; L520-L664 HydrophobicContact CD2-CD2 4.07Å; L520-L664 HydrophobicContact CG-CD2 4.42Å; D521-L664 WeakPolarHBondContact O-CB 3.26Å; D521-L664 PolarHBondContact O-N 2.9Å; V547-L664 CarbonylContact C-O 3.5Å; V547-L664 WeakPolarHBondContact CA-O 3.44Å; V547-L664 VanDerWaalsContact CB-O 3.31Å; V547-L664 WeakPolarHBondContact CB-O 3.27Å; V547-L664 HydrophobicContact CG1-CB 4.27Å; V547-L664 HydrophobicContact CG1-CD2 3.96Å; V547-L664 HydrophobicContact CG1-CG 4.19Å; R548-L664 PolarHBondContact N-O 2.77Å; L664-E668 HydrophobicContact CD1-CB 3.56Å; L664-L669 HydrophobicContact CD2-CB 4.05Å; L664-L669 HydrophobicContact CD2-CD1 3.85Å; L664-L669 HydrophobicContact CD2-CG 4.42Å; L664-L669 HydrophobicContact CG-CB 4.31Å | ||
| 665 | S | 93.7 | Very high | 90.2 | Very high | 3 Ų | 3 | 61.9 Ų | 61.9 | 2% | 0.021 | 31% | 0.307 | C | S | . | . | B | Isolated β-bridge | trans | -89.2 | 162.5 | 175.2 | 62.3 | 0 | 0 | 0 | 0 | 112.6 | R548 D550 S663 S667 E668 L669 | R548-S665 CarbonylContact O-C 3.51Å; R548-S665 VanDerWaalsContact O-CA 3.29Å; R548-S665 WeakPolarHBondContact O-CA 3.24Å; D550-S665 WeakPolarHBondContact OD1-CB 2.78Å; D550-S665 PolarHBondContact OD1-OG 2.91Å; S663-S665 PolarHBondContact O-N 3.29Å; S665-S667 VanDerWaalsContact C-N 3.35Å; S665-S667 PolarHBondContact OG-OG 3.17Å; S665-E668 WeakPolarHBondContact CB-OE2 3.28Å; S665-E668 PolarHBondContact N-OE2 2.9Å; S665-E668 PolarHBondContact O-N 3.44Å; S665-E668 WeakPolarHBondContact OG-CB 3.46Å; S665-E668 WeakPolarHBondContact OG-CG 3.36Å; S665-E668 PolarHBondContact OG-N 2.77Å; S665-E668 PolarHBondContact OG-OE2 3.21Å; S665-L669 WeakPolarHBondContact O-CB 3.16Å; S665-L669 PolarHBondContact O-N 2.85Å |
| 666 | M | 92.3 | Very high | 89.3 | Confident | 34 Ų | 34 | 60.5 Ų | 60.5 | 17% | 0.167 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -63.5 | -39.9 | 175.7 | -165.5 | 64.6 | -169.4 | 0 | 0 | 111.8 | V547 R548 C642 L669 I670 | V547-M666 HydrophobicContact CG2-SD 3.85Å; R548-M666 PolarHBondContact O-N 3.1Å; C642-M666 HydrophobicContact CB-CE 4.26Å; C642-M666 HydrophobicContact CB-SD 4.37Å; C642-M666 WeakPolarHBondContact O-CE 3.34Å; M666-L669 PolarHBondContact O-N 2.92Å; M666-L669 HydrophobicContact SD-CD2 4.48Å; M666-I670 HydrophobicContact CE-CD1 3.96Å; M666-I670 HydrophobicContact CE-CG1 4.02Å; M666-I670 HydrophobicContact CG-CD1 3.96Å; M666-I670 HydrophobicContact CG-CG1 4.48Å; M666-I670 VanDerWaalsContact O-CG1 3.29Å; M666-I670 WeakPolarHBondContact O-CG1 3.42Å; M666-I670 PolarHBondContact O-N 2.86Å |
| 667 | S | 90.7 | Very high | 88.6 | Confident | 63 Ų | 63 | 62.3 Ų | 62.3 | 44% | 0.441 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -64.3 | -42.6 | 176.6 | 59.2 | 0 | 0 | 0 | 0 | 113 | D550 S665 L669 I670 K671 | D550-S667 PolarHBondContact OD1-OG 3.27Å; D550-S667 WeakPolarHBondContact OD2-CB 3.44Å; D550-S667 PolarHBondContact OD2-N 3.19Å; D550-S667 PolarHBondContact OD2-OG 3.22Å; S665-S667 VanDerWaalsContact C-N 3.35Å; S665-S667 PolarHBondContact OG-OG 3.17Å; S667-L669 VanDerWaalsContact C-N 3.34Å; S667-I670 PolarHBondContact O-N 3.39Å; S667-K671 VanDerWaalsContact O-CB 3.25Å; S667-K671 WeakPolarHBondContact O-CB 3.47Å; S667-K671 PolarHBondContact O-N 2.87Å |
| 668 | E | 91.1 | Very high | 87.7 | Confident | 89 Ų | 89 | 57 Ų | 57 | 42% | 0.416 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -61.9 | -43.3 | 174.9 | -73.4 | 164.9 | 144.9 | 0 | 0 | 111.2 | L664 S665 K671 L672 | L664-E668 HydrophobicContact CD1-CB 3.56Å; S665-E668 WeakPolarHBondContact CB-OE2 3.28Å; S665-E668 PolarHBondContact N-OE2 2.9Å; S665-E668 PolarHBondContact O-N 3.44Å; S665-E668 WeakPolarHBondContact OG-CB 3.46Å; S665-E668 WeakPolarHBondContact OG-CG 3.36Å; S665-E668 PolarHBondContact OG-N 2.77Å; S665-E668 PolarHBondContact OG-OE2 3.21Å; E668-K671 PolarHBondContact O-N 3.09Å; E668-L672 WeakPolarHBondContact O-CB 3.42Å; E668-L672 PolarHBondContact O-N 3.44Å |
| 669 | L | 91.9 | Very high | 86.9 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -65.6 | -43.7 | 178.9 | -177.6 | 67.9 | 0 | 0 | 0 | 112.2 | L520 V547 F569 L634 I644 L664 S665 M666 S667 L672 N673 | L520-L669 HydrophobicContact CD1-CD1 4.29Å; V547-L669 HydrophobicContact CG1-CD2 4.04Å; V547-L669 HydrophobicContact CG2-CD2 4.38Å; F569-L669 HydrophobicContact CD2-CD2 3.78Å; F569-L669 HydrophobicContact CE2-CD1 3.99Å; F569-L669 HydrophobicContact CE2-CD2 3.68Å; F569-L669 HydrophobicContact CE2-CG 4.48Å; F569-L669 HydrophobicContact CZ-CD1 3.94Å; F569-L669 HydrophobicContact CZ-CD2 4.35Å; L634-L669 HydrophobicContact CD1-CD1 3.86Å; L634-L669 HydrophobicContact CD2-CD1 3.97Å; I644-L669 HydrophobicContact CD1-CD1 4.29Å; I644-L669 HydrophobicContact CD1-CD2 3.49Å; I644-L669 VanDerWaalsContact CD1-CD2 3.49Å; I644-L669 HydrophobicContact CD1-CG 3.56Å; I644-L669 HydrophobicContact CG1-CD2 3.89Å; I644-L669 HydrophobicContact CG1-CG 4.47Å; L664-L669 HydrophobicContact CD2-CB 4.05Å; L664-L669 HydrophobicContact CD2-CD1 3.85Å; L664-L669 HydrophobicContact CD2-CG 4.42Å; L664-L669 HydrophobicContact CG-CB 4.31Å; S665-L669 WeakPolarHBondContact O-CB 3.16Å; S665-L669 PolarHBondContact O-N 2.85Å; M666-L669 PolarHBondContact O-N 2.92Å; M666-L669 HydrophobicContact SD-CD2 4.48Å; S667-L669 VanDerWaalsContact C-N 3.34Å; L669-L672 PolarHBondContact O-N 3.28Å; L669-N673 WeakPolarHBondContact O-CB 3.26Å; L669-N673 PolarHBondContact O-N 3.47Å |
| 670 | I | 90.6 | Very high | 86.3 | Confident | 80 Ų | 80 | 52.8 Ų | 52.8 | 41% | 0.41 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -64 | -46 | 176.7 | -69.8 | 167.7 | 0 | 0 | 0 | 110.2 | M666 S667 L672 N673 T674 | M666-I670 HydrophobicContact CE-CD1 3.96Å; M666-I670 HydrophobicContact CE-CG1 4.02Å; M666-I670 HydrophobicContact CG-CD1 3.96Å; M666-I670 HydrophobicContact CG-CG1 4.48Å; M666-I670 VanDerWaalsContact O-CG1 3.29Å; M666-I670 WeakPolarHBondContact O-CG1 3.42Å; M666-I670 PolarHBondContact O-N 2.86Å; S667-I670 PolarHBondContact O-N 3.39Å; I670-L672 VanDerWaalsContact C-N 3.33Å; I670-L672 PolarHBondContact O-N 3.32Å; I670-N673 WeakPolarHBondContact O-CB 3.45Å; I670-N673 PolarHBondContact O-N 3.18Å; I670-N673 VanDerWaalsContact O-N 3.16Å; I670-T674 PolarHBondContact O-N 3Å; I670-T674 PolarHBondContact O-OG1 3.49Å; I670-T674 VanDerWaalsContact O-OG1 3.13Å |
| 671 | K | 88.4 | Confident | 85.1 | Confident | 120 Ų | 120 | 53.1 Ų | 53.1 | 52% | 0.522 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -56.9 | -48.5 | 177.7 | -179.2 | -177.8 | 173 | -174.2 | 0 | 111 | S667 E668 N673 T674 E675 | S667-K671 VanDerWaalsContact O-CB 3.25Å; S667-K671 WeakPolarHBondContact O-CB 3.47Å; S667-K671 PolarHBondContact O-N 2.87Å; E668-K671 PolarHBondContact O-N 3.09Å; K671-N673 VanDerWaalsContact C-N 3.33Å; K671-N673 PolarHBondContact O-N 3.18Å; K671-T674 PolarHBondContact O-N 3.36Å; K671-E675 VanDerWaalsContact CE-CD 3.46Å; K671-E675 WeakPolarHBondContact CE-OE1 3.48Å; K671-E675 HydrophobicContact CG-CG 4.39Å; K671-E675 IonicContact NZ-OE1 2.78Å; K671-E675 WeakPolarHBondContact O-CB 3.36Å; K671-E675 WeakPolarHBondContact O-CG 3.39Å; K671-E675 PolarHBondContact O-N 2.98Å |
| 672 | L | 87 | Confident | 83.8 | Confident | 12 Ų | 12 | 51.6 Ų | 51.6 | 6% | 0.063 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -59.4 | -44.4 | 176.8 | -179.2 | 61.2 | 0 | 0 | 0 | 111.6 | E518 L520 L634 E668 L669 I670 T674 E675 T676 L680 | E518-L672 VanDerWaalsContact OE2-CD1 3.25Å; E518-L672 WeakPolarHBondContact OE2-CD1 3.45Å; L520-L672 HydrophobicContact CD2-CD2 3.42Å; L520-L672 VanDerWaalsContact CD2-CD2 3.42Å; L634-L672 HydrophobicContact CD1-CG 4.5Å; E668-L672 WeakPolarHBondContact O-CB 3.42Å; E668-L672 PolarHBondContact O-N 3.44Å; L669-L672 PolarHBondContact O-N 3.28Å; I670-L672 VanDerWaalsContact C-N 3.33Å; I670-L672 PolarHBondContact O-N 3.32Å; L672-T674 VanDerWaalsContact C-N 3.34Å; L672-T674 PolarHBondContact O-N 3.12Å; L672-E675 PolarHBondContact O-N 2.96Å; L672-T676 HydrophobicContact CD1-CG2 3.8Å; L672-T676 WeakPolarHBondContact O-CB 3.18Å; L672-T676 WeakPolarHBondContact O-CG2 3.28Å; L672-T676 PolarHBondContact O-N 2.91Å; L672-T676 VanDerWaalsContact O-N 3.09Å; L672-T676 PolarHBondContact O-OG1 3.3Å; L672-L680 HydrophobicContact CD1-CD2 4.28Å; L672-L680 HydrophobicContact CD2-CD2 3.57Å; L672-L680 HydrophobicContact CG-CD2 3.87Å |
| 673 | N | 86.8 | Confident | 82.4 | Confident | 47 Ų | 47 | 51.4 Ų | 51.4 | 25% | 0.251 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -62.3 | -39.3 | 178 | -171.1 | 63 | 0 | 0 | 0 | 112.6 | L634 L669 I670 K671 E677 G678 | L634-N673 WeakPolarHBondContact CB-OD1 3.34Å; L634-N673 HydrophobicContact CD1-CB 3.81Å; L669-N673 WeakPolarHBondContact O-CB 3.26Å; L669-N673 PolarHBondContact O-N 3.47Å; I670-N673 WeakPolarHBondContact O-CB 3.45Å; I670-N673 PolarHBondContact O-N 3.18Å; I670-N673 VanDerWaalsContact O-N 3.16Å; K671-N673 VanDerWaalsContact C-N 3.33Å; K671-N673 PolarHBondContact O-N 3.18Å; N673-E677 WeakPolarHBondContact O-CA 3.49Å; N673-E677 PolarHBondContact O-N 3.28Å; N673-E677 VanDerWaalsContact O-N 3.09Å; N673-G678 PolarHBondContact O-N 2.79Å; N673-G678 VanDerWaalsContact O-N 3.08Å; N673-G678 WeakPolarHBondContact OD1-CA 3.31Å |
| 674 | T | 83.9 | Confident | 81.1 | Confident | 102 Ų | 102 | 59.3 Ų | 59.3 | 63% | 0.626 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -71.2 | -44.5 | 177.5 | -57.5 | 0 | 0 | 0 | 0 | 112.3 | I670 K671 L672 T676 | I670-T674 PolarHBondContact O-N 3Å; I670-T674 PolarHBondContact O-OG1 3.49Å; I670-T674 VanDerWaalsContact O-OG1 3.13Å; K671-T674 PolarHBondContact O-N 3.36Å; L672-T674 VanDerWaalsContact C-N 3.34Å; L672-T674 PolarHBondContact O-N 3.12Å; T674-T676 VanDerWaalsContact C-N 3.27Å; T674-T676 PolarHBondContact O-N 2.99Å |
| 675 | E | 79.1 | Confident | 79.8 | Confident | 134 Ų | 134 | 59.6 Ų | 59.6 | 63% | 0.626 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -68.4 | -27.3 | -178.6 | -73 | 176.9 | 166.1 | 0 | 0 | 112.8 | K671 L672 | K671-E675 VanDerWaalsContact CE-CD 3.46Å; K671-E675 WeakPolarHBondContact CE-OE1 3.48Å; K671-E675 HydrophobicContact CG-CG 4.39Å; K671-E675 IonicContact NZ-OE1 2.78Å; K671-E675 WeakPolarHBondContact O-CB 3.36Å; K671-E675 WeakPolarHBondContact O-CG 3.39Å; K671-E675 PolarHBondContact O-N 2.98Å; L672-E675 PolarHBondContact O-N 2.96Å |
| 676 | T | 74.5 | Confident | 78.2 | Confident | 12 Ų | 12 | 61 Ų | 61 | 7% | 0.074 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -107 | -2.3 | -175.3 | 63.2 | 0 | 0 | 0 | 0 | 114.6 | L672 T674 G678 K679 T682 | L672-T676 HydrophobicContact CD1-CG2 3.8Å; L672-T676 WeakPolarHBondContact O-CB 3.18Å; L672-T676 WeakPolarHBondContact O-CG2 3.28Å; L672-T676 PolarHBondContact O-N 2.91Å; L672-T676 VanDerWaalsContact O-N 3.09Å; L672-T676 PolarHBondContact O-OG1 3.3Å; T674-T676 VanDerWaalsContact C-N 3.27Å; T674-T676 PolarHBondContact O-N 2.99Å; T676-G678 PolarHBondContact O-N 3.07Å; T676-G678 VanDerWaalsContact O-N 3.1Å; T676-G678 PolarHBondContact OG1-N 3.08Å; T676-K679 WeakPolarHBondContact CB-O 3.44Å; T676-K679 PolarHBondContact O-N 3.11Å; T676-T682 HydrophobicContact CG2-CG2 3.76Å |
| 677 | E | 77.4 | Confident | 76.5 | Confident | 152 Ų | 152 | 63 Ų | 63 | 71% | 0.71 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48 | 36.2 | -167.8 | -58.1 | -174 | -175.9 | 0 | 0 | 112 | H480 N673 K679 | H480-E677 IonicContact NE2-OE2 2.71Å; N673-E677 WeakPolarHBondContact O-CA 3.49Å; N673-E677 PolarHBondContact O-N 3.28Å; N673-E677 VanDerWaalsContact O-N 3.09Å; E677-K679 VanDerWaalsContact C-N 3.34Å; E677-K679 PolarHBondContact O-N 3.06Å |
| 678 | G | 74.5 | Confident | 74.1 | Confident | 3 Ų | 3 | 63 Ų | 63 | 3% | 0.031 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 83.2 | -15.6 | -176.5 | 0 | 0 | 0 | 0 | 0 | 116 | E633 L634 N673 T676 L680 | E633-G678 CarbonylContact C-O 3.39Å; E633-G678 WeakPolarHBondContact CA-O 3.46Å; E633-G678 VanDerWaalsContact CB-O 3.29Å; E633-G678 WeakPolarHBondContact CB-O 3.44Å; L634-G678 PolarHBondContact N-O 3.42Å; N673-G678 PolarHBondContact O-N 2.79Å; N673-G678 VanDerWaalsContact O-N 3.08Å; N673-G678 WeakPolarHBondContact OD1-CA 3.31Å; T676-G678 PolarHBondContact O-N 3.07Å; T676-G678 VanDerWaalsContact O-N 3.1Å; T676-G678 PolarHBondContact OG1-N 3.08Å; G678-L680 PolarHBondContact O-N 3.49Å |
| 679 | K | 74.4 | Confident | 71.2 | Confident | 47 Ų | 47 | 63.7 Ų | 63.7 | 20% | 0.204 | 33% | 0.327 | C | S | . | . | B | Isolated β-bridge | trans | -84.7 | 104.8 | -179.6 | -64.4 | -66.8 | -171.8 | -179 | 0 | 111.5 | H480 E633 T676 E677 A681 | H480-K679 HydrophobicContact CB-CG 4.31Å; H480-K679 WeakPolarHBondContact O-CE 3.49Å; E633-K679 HydrophobicContact CB-CD 4.25Å; E633-K679 WeakPolarHBondContact OE2-CE 3.41Å; E633-K679 IonicContact OE2-NZ 3.34Å; E633-K679 PolarHBondContact OE2-NZ 2.99Å; T676-K679 WeakPolarHBondContact CB-O 3.44Å; T676-K679 PolarHBondContact O-N 3.11Å; E677-K679 VanDerWaalsContact C-N 3.34Å; E677-K679 PolarHBondContact O-N 3.06Å; K679-A681 PolarHBondContact O-N 3.3Å |
| 680 | L | 76 | Confident | 68.2 | Low | 1 Ų | 1 | 68.8 Ų | 68.8 | 1% | 0.005 | 36% | 0.358 | C | S | . | . | trans | -64.9 | 5.8 | -172.8 | -64.9 | 177.9 | 0 | 0 | 0 | 116.6 | L517 E518 L520 L634 L646 L672 G678 T682 | L517-L680 VanDerWaalsContact CA-O 3.3Å; L517-L680 WeakPolarHBondContact CA-O 3.49Å; L517-L680 HydrophobicContact CB-CB 4.45Å; L517-L680 VanDerWaalsContact CD2-C 3.46Å; L517-L680 HydrophobicContact CD2-CB 4.25Å; E518-L680 PolarHBondContact N-O 3.05Å; E518-L680 VanDerWaalsContact N-O 3.08Å; L520-L680 HydrophobicContact CD1-CD1 4.45Å; L634-L680 HydrophobicContact CD1-CD2 4.14Å; L634-L680 HydrophobicContact CG-CD2 4.07Å; L634-L680 HydrophobicContact CG-CG 4.47Å; L646-L680 HydrophobicContact CD1-CD1 3.53Å; L672-L680 HydrophobicContact CD1-CD2 4.28Å; L672-L680 HydrophobicContact CD2-CD2 3.57Å; L672-L680 HydrophobicContact CG-CD2 3.87Å; G678-L680 PolarHBondContact O-N 3.49Å; L680-T682 PolarHBondContact O-N 3.17Å | ||
| 681 | A | 67.4 | Low | 65 | Low | 25 Ų | 25 | 74.5 Ų | 74.5 | 21% | 0.207 | 38% | 0.38 | C | S | . | . | B | Isolated β-bridge | trans | -82.7 | 97.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | V477 P510 L517 K679 | V477-A681 HydrophobicContact CG1-CB 3.75Å; P510-A681 HydrophobicContact CB-CB 3.85Å; P510-A681 HydrophobicContact CG-CB 4.13Å; L517-A681 HydrophobicContact CD2-CB 3.51Å; L517-A681 VanDerWaalsContact CD2-N 3.3Å; K679-A681 PolarHBondContact O-N 3.3Å |
| 682 | T | 62.4 | Low | 62 | Low | 62 Ų | 62 | 74.7 Ų | 74.7 | 38% | 0.38 | 40% | 0.397 | S | S | . | . | trans | -99.7 | -4.4 | 178.9 | 56.5 | 0 | 0 | 0 | 0 | 113.2 | L516 E518 T676 L680 | L516-T682 PolarHBondContact O-N 3.43Å; E518-T682 HydrophobicContact CG-CG2 4.09Å; E518-T682 WeakPolarHBondContact CG-OG1 3.48Å; E518-T682 PolarHBondContact OE1-OG1 3.41Å; T676-T682 HydrophobicContact CG2-CG2 3.76Å; L680-T682 PolarHBondContact O-N 3.17Å | ||
| 683 | K | 60.9 | Low | 59 | Low | 74 Ų | 74 | 76.5 Ų | 76.5 | 32% | 0.322 | 42% | 0.418 | S | S | . | . | trans | -121.9 | 157 | -176.2 | -57.7 | -171.7 | -163.8 | 159.1 | 0 | 112.8 | G515 L516 | G515-K683 VanDerWaalsContact O-CD 3.27Å; G515-K683 WeakPolarHBondContact O-CD 3.11Å; G515-K683 WeakPolarHBondContact O-CE 3.48Å; G515-K683 PolarHBondContact O-NZ 2.88Å; L516-K683 HydrophobicContact CD1-CB 3.86Å; L516-K683 WeakPolarHBondContact CD1-O 3.47Å; L516-K683 HydrophobicContact CG-CB 4.26Å; L516-K683 WeakPolarHBondContact CG-O 3.27Å | ||
| 684 | R | 66.5 | Low | 56.1 | Low | 167 Ų | 167 | 82.5 Ų | 82.5 | 63% | 0.63 | 45% | 0.449 | S | S | * | . | P | Polyproline II helix | trans | -101.8 | 151.7 | 175.6 | -69.2 | 179.3 | 172.5 | 168.6 | -2.1 | 111.4 | N474 D478 | N474-R684 HydrophobicContact CB-CG 4.49Å; N474-R684 WeakPolarHBondContact OD1-CA 3.3Å; D478-R684 IonicContact OD1-NE 2.69Å; D478-R684 PolarHBondContact OD1-NE 2.8Å; D478-R684 IonicContact OD1-NH2 3.69Å; D478-R684 IonicContact OD2-CZ 2.6Å; D478-R684 VanDerWaalsContact OD2-CZ 3.27Å; D478-R684 IonicContact OD2-NE 3.27Å; D478-R684 PolarHBondContact OD2-NE 2.77Å; D478-R684 VanDerWaalsContact OD2-NE 3.16Å; D478-R684 IonicContact OD2-NH2 2.88Å; D478-R684 PolarHBondContact OD2-NH2 3.41Å |
| 685 | L | 65.8 | Low | 53.3 | Low | 25 Ų | 25 | 82.1 Ų | 82.1 | 13% | 0.131 | 46% | 0.456 | C | S | . | . | P | Polyproline II helix | trans | -66.5 | 138.3 | 164.5 | -81.6 | 176.3 | 0 | 0 | 0 | 109.7 | A470 F473 N474 I508 I513 | A470-L685 HydrophobicContact CB-CB 3.99Å; F473-L685 HydrophobicContact CB-CD1 3.95Å; F473-L685 HydrophobicContact CD1-CB 4.29Å; F473-L685 HydrophobicContact CD1-CD1 3.15Å; F473-L685 HydrophobicContact CD1-CG 3.61Å; F473-L685 HydrophobicContact CE1-CD1 3.68Å; F473-L685 HydrophobicContact CE1-CG 3.81Å; F473-L685 HydrophobicContact CG-CD1 3.65Å; N474-L685 PolarHBondContact ND2-O 3.13Å; N474-L685 PolarHBondContact OD1-N 3.17Å; I508-L685 HydrophobicContact CD1-CD1 4.14Å; I513-L685 HydrophobicContact CD1-CD1 3.89Å; I513-L685 HydrophobicContact CD1-CD2 3.66Å; I513-L685 HydrophobicContact CD1-CG 3.84Å; I513-L685 HydrophobicContact CG1-CD2 4.21Å; I513-L685 HydrophobicContact CG2-CD2 3.95Å |
| 686 | S | 60 | Low | 50.8 | Low | 31 Ų | 31 | 83.4 Ų | 83.4 | 22% | 0.217 | 47% | 0.467 | C | S | . | . | P | Polyproline II helix | trans | -64.9 | 134.7 | 177 | 43.4 | 0 | 0 | 0 | 0 | 111.5 | N781 | S686-N781 VanDerWaalsContact CB-ND2 3.3Å; S686-N781 WeakPolarHBondContact CB-ND2 3.42Å; S686-N781 PolarHBondContact OG-ND2 3.27Å; S686-N781 PolarHBondContact OG-OD1 2.83Å |
| 687 | I | 58 | Low | 48.6 | Very low | 77 Ų | 77 | 88.6 Ų | 88.6 | 40% | 0.395 | 50% | 0.499 | S | S | . | . | trans | -107.1 | 95.7 | 169.9 | -57.1 | 172.3 | 0 | 0 | 0 | 105 | T467 A470 R471 P689 | T467-I687 HydrophobicContact CG2-CG2 4.17Å; A470-I687 HydrophobicContact CB-CG1 3.95Å; R471-I687 HydrophobicContact CB-CD1 4.41Å; I687-P689 WeakPolarHBondContact O-CD 3.41Å | ||
| 688 | V | 38.7 | Very low | 46.1 | Very low | 64 Ų | 64 | 90.4 Ų | 90.4 | 39% | 0.388 | 51% | 0.507 | S | S | . | . | trans | -88.2 | 116.4 | 172 | -175.1 | 0 | 0 | 0 | 0 | 107.1 | T467 T690 N781 | T467-V688 WeakPolarHBondContact CG2-O 3.19Å; V688-T690 PolarHBondContact O-N 3.27Å; V688-T690 VanDerWaalsContact O-N 3.12Å; V688-N781 WeakPolarHBondContact CG2-ND2 3.38Å | ||
| 689 | P | 31.7 | Very low | 44 | Very low | 103 Ų | 103 | 98.4 Ų | 98.4 | 67% | 0.669 | 54% | 0.544 | S | S | * | . | trans | -63.7 | 115.5 | 170 | -12 | 26.4 | 0 | 0 | 0 | 107.7 | I687 F691 | I687-P689 WeakPolarHBondContact O-CD 3.41Å; P689-F691 PolarHBondContact O-N 3.37Å; P689-F691 VanDerWaalsContact O-N 3.09Å | ||
| 690 | T | 27.5 | Very low | 41.7 | Very low | 106 Ų | 106 | 104.9 Ų | 104.9 | 65% | 0.65 | 57% | 0.574 | S | S | * | * | trans | -60.2 | 114.7 | 162.6 | 34.1 | 0 | 0 | 0 | 0 | 107.2 | V688 S692 | V688-T690 PolarHBondContact O-N 3.27Å; V688-T690 VanDerWaalsContact O-N 3.12Å; T690-S692 VanDerWaalsContact C-N 3.27Å; T690-S692 PolarHBondContact O-N 3.01Å | ||
| 691 | F | 24.4 | Very low | 39.6 | Very low | 201 Ų | 201 | 113.8 Ų | 113.8 | 88% | 0.882 | 62% | 0.616 | S | S | * | * | trans | -61.2 | 90.9 | 173.5 | -126.8 | -93.5 | 0 | 0 | 0 | 108.4 | P689 G693 | P689-F691 PolarHBondContact O-N 3.37Å; P689-F691 VanDerWaalsContact O-N 3.09Å; F691-G693 VanDerWaalsContact C-N 3.32Å; F691-G693 PolarHBondContact O-N 3.23Å; F691-G693 VanDerWaalsContact O-N 3.13Å | ||
| 692 | S | 24 | Very low | 37.6 | Very low | 124 Ų | 124 | 117.3 Ų | 117.3 | 87% | 0.867 | 64% | 0.639 | S | S | * | * | trans | -78.4 | 85.8 | 168.7 | 54.8 | 0 | 0 | 0 | 0 | 107.6 | T690 | T690-S692 VanDerWaalsContact C-N 3.27Å; T690-S692 PolarHBondContact O-N 3.01Å | ||
| 693 | G | 25.3 | Very low | 36 | Very low | 49 Ų | 49 | 123.8 Ų | 123.8 | 51% | 0.505 | 66% | 0.662 | S | S | . | * | trans | -177.5 | 74.2 | -180 | 0 | 0 | 0 | 0 | 0 | 109.5 | F691 | F691-G693 VanDerWaalsContact C-N 3.32Å; F691-G693 PolarHBondContact O-N 3.23Å; F691-G693 VanDerWaalsContact O-N 3.13Å | ||
| 694 | L | 25.7 | Very low | 34.5 | Very low | 174 Ų | 174 | 125.5 Ų | 125.5 | 91% | 0.911 | 68% | 0.681 | S | S | * | * | trans | 169.4 | 63.7 | 159.3 | -89.5 | 165.8 | 0 | 0 | 0 | 107.7 | ||||
| 695 | A | 26 | Very low | 32.5 | Very low | 94 Ų | 94 | 124.7 Ų | 124.7 | 78% | 0.777 | 69% | 0.689 | S | S | * | * | trans | -142.7 | 55.2 | 170 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 696 | D | 25.7 | Very low | 31 | Very low | 161 Ų | 161 | 131.5 Ų | 131.5 | 86% | 0.861 | 72% | 0.724 | S | S | * | * | trans | -153.5 | 68.3 | 166.7 | -83.5 | -35.6 | 0 | 0 | 0 | 108.1 | ||||
| 697 | V | 29 | Very low | 29.4 | Very low | 121 Ų | 121 | 135 Ų | 135 | 73% | 0.733 | 75% | 0.748 | S | S | * | * | trans | -143.2 | 88.3 | 156.2 | -172.5 | 0 | 0 | 0 | 0 | 107.2 | H699 | V697-H699 HydrophobicContact CG1-CB 4.48Å; V697-H699 PolarHBondContact O-N 3.18Å | ||
| 698 | E | 24.3 | Very low | 28.1 | Very low | 190 Ų | 190 | 136 Ų | 136 | 89% | 0.888 | 76% | 0.762 | S | S | * | * | trans | -59.3 | 112.2 | 151.1 | -71.4 | -175.4 | 152 | 0 | 0 | 107.4 | ||||
| 699 | H | 31.1 | Very low | 27.8 | Very low | 171 Ų | 171 | 141.7 Ų | 141.7 | 79% | 0.792 | 79% | 0.79 | S | S | * | * | trans | -152.3 | 114.9 | 148.1 | -101.3 | -59 | 0 | 0 | 0 | 111 | V697 Q701 | V697-H699 HydrophobicContact CG1-CB 4.48Å; V697-H699 PolarHBondContact O-N 3.18Å; H699-Q701 PolarHBondContact O-N 3.43Å | ||
| 700 | Q | 25.3 | Very low | 27.8 | Very low | 183 Ų | 183 | 144.4 Ų | 144.4 | 86% | 0.855 | 80% | 0.799 | S | S | * | * | trans | -43.3 | 124.8 | 161.3 | -64.3 | 163 | -23.1 | 0 | 0 | 111 | ||||
| 701 | Q | 31.3 | Very low | 28.1 | Very low | 188 Ų | 188 | 144.9 Ų | 144.9 | 88% | 0.879 | 81% | 0.806 | S | S | * | * | trans | -162.7 | 107.7 | 146.1 | -107.9 | 167.1 | 26.7 | 0 | 0 | 110.3 | H699 | H699-Q701 PolarHBondContact O-N 3.43Š| ||
| 702 | S | 24.9 | Very low | 28.4 | Very low | 99 Ų | 99 | 140.4 Ų | 140.4 | 69% | 0.692 | 80% | 0.8 | S | S | * | * | trans | -61.3 | 140.6 | 165.4 | 48.7 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 703 | F | 29 | Very low | 28.7 | Very low | 197 Ų | 197 | 139.7 Ų | 139.7 | 86% | 0.864 | 79% | 0.794 | S | S | * | * | trans | -175.7 | 155.1 | 151.9 | -91.8 | -52.6 | 0 | 0 | 0 | 110.1 | ||||
| 704 | P | 29.7 | Very low | 28.8 | Very low | 111 Ų | 111 | 142.1 Ų | 142.1 | 72% | 0.721 | 80% | 0.803 | S | S | * | * | -117.6 | 176.4 | -96.3 | 37.4 | -22.7 | 0 | 0 | 0 | 115.2 | |||||
| 705 | D | 26 | Very low | 29 | Very low | 150 Ų | 150 | 138.4 Ų | 138.4 | 80% | 0.802 | 79% | 0.792 | S | S | * | * | trans | -38.1 | 133.5 | 176.1 | -65.7 | -55 | 0 | 0 | 0 | 116.8 | ||||
| 706 | I | 33 | Very low | 29.3 | Very low | 167 Ų | 167 | 140.4 Ų | 140.4 | 86% | 0.856 | 79% | 0.794 | S | S | * | * | trans | -122.2 | 87.8 | 150.3 | -59.9 | -179.5 | 0 | 0 | 0 | 107.8 | ||||
| 707 | S | 26.9 | Very low | 29.3 | Very low | 104 Ų | 104 | 140.1 Ų | 140.1 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | trans | -91.1 | 113.9 | 156.6 | 50.4 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 708 | S | 30.5 | Very low | 29.4 | Very low | 99 Ų | 99 | 143 Ų | 143 | 69% | 0.692 | 80% | 0.798 | S | S | * | * | trans | 172.9 | 97.2 | 148.4 | 42 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 709 | L | 33.3 | Very low | 29.4 | Very low | 183 Ų | 183 | 138.7 Ų | 138.7 | 96% | 0.958 | 79% | 0.789 | S | S | * | * | trans | -169.4 | 74.2 | 137.1 | -96.7 | 150.5 | 0 | 0 | 0 | 106.9 | ||||
| 710 | N | 30.4 | Very low | 29.2 | Very low | 161 Ų | 161 | 136.4 Ų | 136.4 | 86% | 0.861 | 79% | 0.793 | S | S | * | * | trans | -79.7 | 142.6 | 164.5 | -97.6 | -21 | 0 | 0 | 0 | 109.9 | ||||
| 711 | S | 33.3 | Very low | 29.2 | Very low | 115 Ų | 115 | 131.2 Ų | 131.2 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | trans | 151.1 | 127.6 | 136.4 | 52.8 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 712 | S | 32.6 | Very low | 28.8 | Very low | 107 Ų | 107 | 133 Ų | 133 | 75% | 0.748 | 79% | 0.788 | S | S | * | * | cis | -175.8 | 147.6 | 19.5 | 40.8 | 0 | 0 | 0 | 0 | 103.6 | ||||
| 713 | C | 28.5 | Very low | 29 | Very low | 110 Ų | 110 | 137 Ų | 137 | 74% | 0.743 | 80% | 0.795 | S | S | * | * | cis | -161.2 | 127 | 27.5 | -107.1 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 714 | S | 29.1 | Very low | 28.8 | Very low | 99 Ų | 99 | 133.2 Ų | 133.2 | 69% | 0.692 | 79% | 0.789 | S | S | * | * | 53.3 | 132.9 | 96.3 | 72.1 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 715 | S | 29.5 | Very low | 28.6 | Very low | 97 Ų | 97 | 134.7 Ų | 134.7 | 68% | 0.678 | 79% | 0.79 | S | S | * | * | cis | 170.4 | 140.7 | 10.6 | 41.1 | 0 | 0 | 0 | 0 | 102.6 | ||||
| 716 | T | 31.5 | Very low | 28.6 | Very low | 136 Ų | 136 | 133.6 Ų | 133.6 | 83% | 0.834 | 78% | 0.784 | S | S | * | * | -172.5 | 139.4 | 73.9 | 25.5 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 717 | N | 26.5 | Very low | 28.3 | Very low | 155 Ų | 155 | 133.5 Ų | 133.5 | 83% | 0.829 | 78% | 0.78 | S | S | * | * | trans | -67.5 | 150.9 | 168.4 | -71.3 | -39.3 | 0 | 0 | 0 | 112.3 | ||||
| 718 | Q | 30 | Very low | 28.2 | Very low | 181 Ų | 181 | 134.7 Ų | 134.7 | 85% | 0.846 | 78% | 0.783 | S | S | * | * | 178 | 115.3 | 113.3 | -96.4 | 175.2 | 5.5 | 0 | 0 | 113.4 | |||||
| 719 | S | 25.8 | Very low | 28.1 | Very low | 99 Ų | 99 | 137 Ų | 137 | 69% | 0.692 | 79% | 0.793 | S | S | * | * | trans | 42.9 | 125.4 | 135.1 | 64.4 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 720 | S | 25.9 | Very low | 27.8 | Very low | 124 Ų | 124 | 136.3 Ų | 136.3 | 87% | 0.867 | 79% | 0.785 | S | S | * | * | trans | 86.7 | 134.8 | 135.3 | 84.6 | 0 | 0 | 0 | 0 | 119 | ||||
| 721 | G | 25.7 | Very low | 27.5 | Very low | 73 Ų | 73 | 137.8 Ų | 137.8 | 75% | 0.753 | 79% | 0.787 | S | S | * | * | trans | 124.7 | 102.2 | 159 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 722 | Y | 23.6 | Very low | 27.2 | Very low | 225 Ų | 225 | 141.2 Ų | 141.2 | 88% | 0.882 | 79% | 0.79 | S | S | * | * | trans | -42.4 | 135.1 | 161.6 | -70.2 | -97.2 | 0 | 0 | 0 | 111.7 | ||||
| 723 | H | 27.6 | Very low | 26.9 | Very low | 183 Ų | 183 | 141.4 Ų | 141.4 | 85% | 0.847 | 79% | 0.787 | S | S | * | * | -176.4 | 145.3 | 129.4 | -95.5 | -61.6 | 0 | 0 | 0 | 112 | |||||
| 724 | T | 26.1 | Very low | 26.7 | Very low | 119 Ų | 119 | 143.1 Ų | 143.1 | 73% | 0.73 | 79% | 0.794 | S | S | * | * | trans | -50.2 | 155.9 | 172.2 | 2.6 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 725 | L | 25.5 | Very low | 26.6 | Very low | 142 Ų | 142 | 146.9 Ų | 146.9 | 74% | 0.743 | 80% | 0.801 | S | S | * | * | trans | 111.3 | 120.6 | 153.5 | -66 | 153.8 | 0 | 0 | 0 | 118.3 | ||||
| 726 | N | 25.5 | Very low | 26.4 | Very low | 127 Ų | 127 | 149.3 Ų | 149.3 | 68% | 0.679 | 81% | 0.805 | S | S | * | * | 61 | 128.4 | 128.7 | -67.7 | -2.2 | 0 | 0 | 0 | 122 | |||||
| 727 | E | 25.7 | Very low | 26.1 | Very low | 165 Ų | 165 | 151.9 Ų | 151.9 | 77% | 0.771 | 81% | 0.805 | S | S | * | * | trans | 60.2 | 104.7 | 136.1 | -64.2 | -176.7 | 164.6 | 0 | 0 | 117.5 | ||||
| 728 | T | 26.6 | Very low | 26.1 | Very low | 129 Ų | 129 | 151.7 Ų | 151.7 | 79% | 0.791 | 80% | 0.803 | S | S | * | * | 150.5 | 107.3 | 110.6 | 43.4 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 729 | T | 26.8 | Very low | 25.9 | Very low | 148 Ų | 148 | 148.1 Ų | 148.1 | 91% | 0.908 | 79% | 0.789 | S | S | * | * | trans | -172.7 | 94.3 | 142.5 | 8.3 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 730 | E | 26.8 | Very low | 25.9 | Very low | 168 Ų | 168 | 149.5 Ų | 149.5 | 79% | 0.785 | 79% | 0.793 | S | S | * | * | trans | -142 | 86.6 | 160.4 | -86.5 | -171.8 | 173.7 | 0 | 0 | 108.8 | ||||
| 731 | Q | 25.8 | Very low | 26.1 | Very low | 191 Ų | 191 | 150.6 Ų | 150.6 | 89% | 0.893 | 79% | 0.79 | S | S | * | * | trans | -112.3 | 132 | 149.9 | -75.4 | -178.8 | -13.2 | 0 | 0 | 105.6 | ||||
| 732 | Q | 25.7 | Very low | 26.3 | Very low | 187 Ų | 187 | 154.3 Ų | 154.3 | 87% | 0.874 | 79% | 0.787 | S | S | * | * | S | Bend | trans | 84.8 | 87.9 | -172.9 | -53.5 | 179.8 | -2.8 | 0 | 0 | 115.7 | ||
| 733 | T | 26.5 | Very low | 26.5 | Very low | 111 Ų | 111 | 145.7 Ų | 145.7 | 68% | 0.681 | 76% | 0.759 | S | S | * | * | trans | 169.9 | 68.3 | 139.2 | 33.9 | 0 | 0 | 0 | 0 | 109.9 | E735 | T733-E735 VanDerWaalsContact C-N 3.32Å; T733-E735 PolarHBondContact O-N 3.2Å; T733-E735 VanDerWaalsContact O-N 3.14Å | ||
| 734 | T | 24.7 | Very low | 26.8 | Very low | 147 Ų | 147 | 142.6 Ų | 142.6 | 90% | 0.902 | 75% | 0.748 | S | S | * | * | trans | -76.6 | 88.2 | 159.7 | 13.1 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 735 | E | 26.1 | Very low | 26.8 | Very low | 177 Ų | 177 | 137 Ų | 137 | 83% | 0.827 | 71% | 0.714 | S | S | * | * | trans | 151.9 | 99.1 | 163.2 | -92.1 | 179.4 | -165.1 | 0 | 0 | 106.6 | T733 | T733-E735 VanDerWaalsContact C-N 3.32Å; T733-E735 PolarHBondContact O-N 3.2Å; T733-E735 VanDerWaalsContact O-N 3.14Å | ||
| 736 | L | 26.5 | Very low | 26.9 | Very low | 148 Ų | 148 | 134.8 Ų | 134.8 | 78% | 0.775 | 71% | 0.706 | S | S | * | * | trans | -169.9 | 79.5 | 156.5 | -98.5 | 154.1 | 0 | 0 | 0 | 107.9 | I738 | L736-I738 PolarHBondContact O-N 2.73Å; L736-I738 VanDerWaalsContact O-N 3.15Å | ||
| 737 | F | 25.1 | Very low | 26.9 | Very low | 191 Ų | 191 | 134.3 Ų | 134.3 | 84% | 0.838 | 71% | 0.713 | S | S | * | * | trans | -57.3 | 109 | 151.9 | -80.4 | -98.8 | 0 | 0 | 0 | 106.7 | N739 | F737-N739 PolarHBondContact O-N 3.19Š| ||
| 738 | I | 25.7 | Very low | 27 | Very low | 150 Ų | 150 | 130.2 Ų | 130.2 | 77% | 0.769 | 70% | 0.703 | S | S | * | * | trans | -72 | 95.7 | 162 | -62.5 | 179.2 | 0 | 0 | 0 | 105.9 | L736 V740 | L736-I738 PolarHBondContact O-N 2.73Å; L736-I738 VanDerWaalsContact O-N 3.15Å; I738-V740 HydrophobicContact CG2-CG2 4.32Å; I738-V740 PolarHBondContact O-N 3.39Å | ||
| 739 | N | 26.3 | Very low | 27.1 | Very low | 106 Ų | 106 | 129.8 Ų | 129.8 | 57% | 0.567 | 70% | 0.702 | S | S | * | * | trans | -52.5 | 98 | 168.5 | -87.2 | -29.9 | 0 | 0 | 0 | 109.4 | F737 D741 E742 | F737-N739 PolarHBondContact O-N 3.19Å; N739-D741 VanDerWaalsContact C-N 3.26Å; N739-E742 HydrophobicContact CB-CG 4.12Å | ||
| 740 | V | 26.7 | Very low | 27 | Very low | 128 Ų | 128 | 130.3 Ų | 130.3 | 78% | 0.776 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -100 | 62 | 157.9 | -166.7 | 0 | 0 | 0 | 0 | 107 | I738 | I738-V740 HydrophobicContact CG2-CG2 4.32Å; I738-V740 PolarHBondContact O-N 3.39Å |
| 741 | D | 29.5 | Very low | 27.1 | Very low | 148 Ų | 148 | 131.7 Ų | 131.7 | 79% | 0.791 | 70% | 0.701 | S | S | * | * | trans | 175.5 | 61.2 | 167.4 | -91.4 | -22 | 0 | 0 | 0 | 105.4 | N739 P743 | N739-D741 VanDerWaalsContact C-N 3.26Å; D741-P743 VanDerWaalsContact O-CD 3.28Å; D741-P743 WeakPolarHBondContact O-CD 3.19Å | ||
| 742 | E | 29.6 | Very low | 27.1 | Very low | 151 Ų | 151 | 131 Ų | 131 | 71% | 0.706 | 70% | 0.698 | S | S | * | * | trans | -72 | 116.9 | 157.8 | -88.6 | -160.9 | 161.8 | 0 | 0 | 107.1 | N739 L744 | N739-E742 HydrophobicContact CB-CG 4.12Å; E742-L744 PolarHBondContact O-N 3.01Å | ||
| 743 | P | 28.7 | Very low | 27.1 | Very low | 44 Ų | 44 | 133.1 Ų | 133.1 | 29% | 0.286 | 70% | 0.698 | S | S | . | * | trans | -64.3 | 124.6 | 165.7 | -0.4 | 16.8 | 0 | 0 | 0 | 106.5 | G575 T577 D741 A745 | G575-P743 WeakPolarHBondContact O-CB 3.29Å; T577-P743 HydrophobicContact CG2-CG 4.18Å; D741-P743 VanDerWaalsContact O-CD 3.28Å; D741-P743 WeakPolarHBondContact O-CD 3.19Å; P743-A745 HydrophobicContact CB-CB 4.46Å; P743-A745 PolarHBondContact O-N 3.17Å | ||
| 744 | L | 32 | Very low | 27.2 | Very low | 118 Ų | 118 | 136.9 Ų | 136.9 | 62% | 0.618 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -61.2 | 8.9 | 172.1 | -84.5 | 159.5 | 0 | 0 | 0 | 113.7 | E742 T746 | E742-L744 PolarHBondContact O-N 3.01Å; L744-T746 PolarHBondContact O-N 3.16Å |
| 745 | A | 27.3 | Very low | 27.4 | Very low | 2 Ų | 2 | 136.8 Ų | 136.8 | 2% | 0.017 | 70% | 0.697 | C | S | . | * | trans | -75.8 | 68 | 168.3 | 0 | 0 | 0 | 0 | 0 | 111 | G575 Q580 V652 P743 | G575-A745 WeakPolarHBondContact O-CB 3.5Å; Q580-A745 PolarHBondContact NE2-O 2.94Å; Q580-A745 PolarHBondContact OE1-O 3.46Å; V652-A745 WeakPolarHBondContact O-CA 3.42Å; V652-A745 WeakPolarHBondContact O-CB 3.25Å; P743-A745 HydrophobicContact CB-CB 4.46Å; P743-A745 PolarHBondContact O-N 3.17Å | ||
| 746 | T | 27.9 | Very low | 27.7 | Very low | 95 Ų | 95 | 135.4 Ų | 135.4 | 58% | 0.583 | 70% | 0.695 | S | S | * | * | trans | -121.1 | 106.4 | 155.2 | 70.6 | 0 | 0 | 0 | 0 | 109.9 | L744 S748 | L744-T746 PolarHBondContact O-N 3.16Å; T746-S748 VanDerWaalsContact CB-OG 3.26Å; T746-S748 WeakPolarHBondContact CB-OG 3.39Å; T746-S748 PolarHBondContact O-N 2.89Å; T746-S748 PolarHBondContact OG1-OG 3.19Å; T746-S748 VanDerWaalsContact OG1-OG 3.13Å | ||
| 747 | S | 25.8 | Very low | 27.9 | Very low | 117 Ų | 117 | 134.9 Ų | 134.9 | 82% | 0.818 | 70% | 0.698 | S | S | * | * | trans | -67.4 | 76.7 | 146.7 | 55.9 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 748 | S | 26.3 | Very low | 28.1 | Very low | 79 Ų | 79 | 130.7 Ų | 130.7 | 55% | 0.552 | 69% | 0.691 | S | S | * | * | trans | -89.7 | 128.4 | 168.7 | -61.8 | 0 | 0 | 0 | 0 | 107.6 | T746 I750 | T746-S748 VanDerWaalsContact CB-OG 3.26Å; T746-S748 WeakPolarHBondContact CB-OG 3.39Å; T746-S748 PolarHBondContact O-N 2.89Å; T746-S748 PolarHBondContact OG1-OG 3.19Å; T746-S748 VanDerWaalsContact OG1-OG 3.13Å; S748-I750 PolarHBondContact O-N 3.15Å | ||
| 749 | P | 28.3 | Very low | 28.6 | Very low | 119 Ų | 119 | 131.7 Ų | 131.7 | 77% | 0.773 | 69% | 0.692 | S | S | * | * | trans | -59 | 131.3 | 172.6 | 25.1 | -30.4 | 0 | 0 | 0 | 108.4 | K751 | P749-K751 PolarHBondContact O-N 3.08Š| ||
| 750 | I | 26.4 | Very low | 29.5 | Very low | 159 Ų | 159 | 134.7 Ų | 134.7 | 82% | 0.815 | 70% | 0.703 | S | S | * | * | trans | -54.4 | 109.8 | 179.5 | -65.3 | 167.3 | 0 | 0 | 0 | 108 | S748 Q752 | S748-I750 PolarHBondContact O-N 3.15Å; I750-Q752 PolarHBondContact O-N 3.03Å; I750-Q752 VanDerWaalsContact O-N 3.14Å | ||
| 751 | K | 28.1 | Very low | 30.5 | Very low | 198 Ų | 198 | 136.7 Ų | 136.7 | 86% | 0.861 | 70% | 0.703 | S | S | * | * | trans | -64.2 | 112.1 | 159 | -87 | -174.4 | 175.3 | -178.7 | 0 | 106.5 | P749 R753 | P749-K751 PolarHBondContact O-N 3.08Å; K751-R753 PolarHBondContact O-N 3.5Å | ||
| 752 | Q | 25.5 | Very low | 32.1 | Very low | 176 Ų | 176 | 134.1 Ų | 134.1 | 82% | 0.822 | 69% | 0.689 | S | S | * | * | trans | -46.8 | 109.7 | 163.3 | -76.6 | 170.2 | -24.5 | 0 | 0 | 108.3 | I750 K754 | I750-Q752 PolarHBondContact O-N 3.03Å; I750-Q752 VanDerWaalsContact O-N 3.14Å; Q752-K754 PolarHBondContact O-N 3.29Å; Q752-K754 VanDerWaalsContact O-N 3.17Å | ||
| 753 | R | 26.6 | Very low | 34.5 | Very low | 231 Ų | 231 | 131.3 Ų | 131.3 | 87% | 0.872 | 68% | 0.679 | S | S | * | * | trans | -72.4 | 102.8 | 158.1 | -85.4 | -176.7 | 172.7 | 168.7 | -2.4 | 105.7 | K751 I755 | K751-R753 PolarHBondContact O-N 3.5Å; R753-I755 PolarHBondContact O-N 2.95Å; R753-I755 VanDerWaalsContact O-N 3.13Å | ||
| 754 | K | 27.2 | Very low | 37.4 | Very low | 191 Ų | 191 | 130.4 Ų | 130.4 | 83% | 0.83 | 67% | 0.67 | S | S | * | * | trans | -58.8 | 110.4 | 156.3 | -82.4 | -176 | 172.5 | -175.1 | 0 | 106.2 | Q752 | Q752-K754 PolarHBondContact O-N 3.29Å; Q752-K754 VanDerWaalsContact O-N 3.17Å | ||
| 755 | I | 30.4 | Very low | 40.1 | Very low | 144 Ų | 144 | 124.8 Ų | 124.8 | 74% | 0.738 | 64% | 0.641 | S | S | * | * | trans | -91.6 | 120.7 | 159.6 | -63.7 | 174.5 | 0 | 0 | 0 | 104 | R753 V757 | R753-I755 PolarHBondContact O-N 2.95Å; R753-I755 VanDerWaalsContact O-N 3.13Å; I755-V757 PolarHBondContact O-N 3.19Å | ||
| 756 | D | 31.6 | Very low | 42.9 | Very low | 149 Ų | 149 | 129.6 Ų | 129.6 | 80% | 0.797 | 66% | 0.662 | S | S | * | * | trans | -60.1 | 123 | 175.7 | -76.2 | -40.2 | 0 | 0 | 0 | 109.5 | ||||
| 757 | V | 31.7 | Very low | 45.7 | Very low | 137 Ų | 137 | 132.3 Ų | 132.3 | 83% | 0.83 | 67% | 0.673 | S | S | * | * | trans | -84.2 | 114.3 | 179.6 | 177.8 | 0 | 0 | 0 | 0 | 107.9 | I755 | I755-V757 PolarHBondContact O-N 3.19Š| ||
| 758 | C | 28.8 | Very low | 48.7 | Very low | 102 Ų | 102 | 128.9 Ų | 128.9 | 69% | 0.689 | 64% | 0.644 | S | S | * | * | trans | -124.1 | 135.2 | 162.7 | -85.4 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 759 | H | 36.8 | Very low | 51.9 | Low | 172 Ų | 172 | 126.6 Ų | 126.6 | 80% | 0.796 | 63% | 0.625 | S | S | * | * | S | Bend | trans | 93.6 | 86.1 | 170.6 | -49.4 | -61.8 | 0 | 0 | 0 | 117.6 | ||
| 760 | E | 43.7 | Very low | 55.1 | Low | 169 Ų | 169 | 120.9 Ų | 120.9 | 79% | 0.79 | 59% | 0.588 | S | S | * | * | trans | 44.2 | 109.9 | 130.8 | -72.9 | 177.7 | 175.2 | 0 | 0 | 120.1 | ||||
| 761 | H | 49 | Very low | 58.2 | Low | 170 Ų | 170 | 113.3 Ų | 113.3 | 79% | 0.787 | 55% | 0.549 | S | S | * | . | trans | 64.2 | 93.9 | 149.1 | -58.9 | -66.4 | 0 | 0 | 0 | 119.2 | ||||
| 762 | L | 62.4 | Low | 61.3 | Low | 94 Ų | 94 | 103.9 Ų | 103.9 | 49% | 0.492 | 51% | 0.508 | S | S | . | . | trans | 170 | 74 | 134.3 | -88.8 | 156.6 | 0 | 0 | 0 | 111.1 | Y764 Y793 | L762-Y764 HydrophobicContact CB-CD1 4.37Å; L762-Y764 WeakPolarHBondContact O-CD1 3.45Å; L762-Y764 PolarHBondContact O-N 2.99Å; L762-Y793 WeakPolarHBondContact O-CD1 3.48Å | ||
| 763 | N | 80.4 | Confident | 64.4 | Low | 91 Ų | 91 | 96.6 Ų | 96.6 | 49% | 0.487 | 47% | 0.473 | S | S | . | . | trans | -88.1 | 60.1 | 179.9 | -68.9 | -18.9 | 0 | 0 | 0 | 113.1 | F765 E766 Y793 | N763-F765 VanDerWaalsContact C-N 3.28Å; N763-F765 PolarHBondContact O-N 3.39Å; N763-E766 HydrophobicContact CB-CB 4.09Å; N763-E766 WeakPolarHBondContact O-CB 3.46Å; N763-E766 PolarHBondContact O-N 2.94Å; N763-E766 VanDerWaalsContact O-N 3.11Å; N763-Y793 CarbonylContact C-O 3.51Å; N763-Y793 WeakPolarHBondContact CA-O 3.47Å | ||
| 764 | Y | 88.4 | Confident | 67.2 | Low | 26 Ų | 26 | 86.6 Ų | 86.6 | 10% | 0.102 | 44% | 0.437 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -8.6 | -172.5 | 58.1 | -89.7 | 0 | 0 | 0 | 115.2 | L762 Y793 C847 K851 L853 | L762-Y764 HydrophobicContact CB-CD1 4.37Å; L762-Y764 WeakPolarHBondContact O-CD1 3.45Å; L762-Y764 PolarHBondContact O-N 2.99Å; Y764-Y793 HydrophobicContact CD1-CD1 4.27Å; Y764-Y793 HydrophobicContact CD1-CG 4.31Å; Y764-Y793 AromaticContact CE1-CD1 3.55Å; Y764-Y793 HydrophobicContact CE1-CD1 3.55Å; Y764-Y793 AromaticContact CE1-CD2 3.87Å; Y764-Y793 HydrophobicContact CE1-CD2 3.87Å; Y764-Y793 AromaticContact CE1-CE1 3.98Å; Y764-Y793 HydrophobicContact CE1-CE1 3.98Å; Y764-Y793 HydrophobicContact CE1-CE2 4.29Å; Y764-Y793 AromaticContact CE1-CG 3.47Å; Y764-Y793 HydrophobicContact CE1-CG 3.47Å; Y764-Y793 VanDerWaalsContact CE1-CG 3.47Å; Y764-Y793 AromaticContact CZ-CD2 3.66Å; Y764-Y793 AromaticContact CZ-CG 3.68Å; Y764-Y793 PolarHBondContact N-O 3.3Å; Y764-Y793 WeakPolarHBondContact OH-CD2 3.47Å; Y764-Y793 VanDerWaalsContact OH-CE2 3.28Å; Y764-Y793 WeakPolarHBondContact OH-CE2 3.19Å; Y764-C847 HydrophobicContact CE2-CB 4.45Å; Y764-K851 WeakPolarHBondContact CD1-O 3.4Å; Y764-K851 HydrophobicContact CE1-CB 4.41Å; Y764-L853 WeakPolarHBondContact O-CB 3.48Å |
| 765 | F | 90.3 | Very high | 69.7 | Low | 0 Ų | 0 | 77.8 Ų | 77.8 | 0% | 0 | 40% | 0.399 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.9 | 8.5 | 168.4 | -66.6 | -59.6 | 0 | 0 | 0 | 113.2 | N763 N767 H768 I770 Y793 G794 G795 W843 L844 C847 I848 L853 | N763-F765 VanDerWaalsContact C-N 3.28Å; N763-F765 PolarHBondContact O-N 3.39Å; F765-N767 PolarHBondContact O-N 2.83Å; F765-H768 WeakPolarHBondContact O-CB 3.26Å; F765-H768 PolarHBondContact O-N 3.42Å; F765-H768 VanDerWaalsContact O-N 3.07Å; F765-I770 HydrophobicContact CD1-CD1 3.81Å; F765-I770 HydrophobicContact CE1-CD1 4.08Å; F765-I770 HydrophobicContact CG-CD1 4.37Å; F765-Y793 PolarHBondContact N-O 3.16Å; F765-G794 CarbonylContact O-C 3.5Å; F765-G795 VanDerWaalsContact O-CA 3.26Å; F765-G795 WeakPolarHBondContact O-CA 3.16Å; F765-G795 PolarHBondContact O-N 3.14Å; F765-W843 HydrophobicContact CE1-CH2 4.38Å; F765-L844 HydrophobicContact CE1-CD1 4.07Å; F765-L844 HydrophobicContact CE2-CD1 4.2Å; F765-L844 HydrophobicContact CZ-CD1 3.54Å; F765-C847 HydrophobicContact CE1-CB 4.16Å; F765-C847 HydrophobicContact CZ-CB 3.78Å; F765-I848 HydrophobicContact CE2-CG1 4.48Å; F765-L853 HydrophobicContact CD1-CD1 3.82Å; F765-L853 HydrophobicContact CE1-CD1 3.76Å |
| 766 | E | 86.1 | Confident | 71.3 | Confident | 102 Ų | 102 | 75.9 Ų | 75.9 | 48% | 0.477 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.9 | 135.7 | 178.6 | -167.7 | 168.6 | -178.5 | 0 | 0 | 111.5 | N763 H768 G794 | N763-E766 HydrophobicContact CB-CB 4.09Å; N763-E766 WeakPolarHBondContact O-CB 3.46Å; N763-E766 PolarHBondContact O-N 2.94Å; N763-E766 VanDerWaalsContact O-N 3.11Å; E766-H768 PolarHBondContact O-CE1 2.77Å; E766-H768 PolarHBondContact O-N 3.48Å; E766-H768 PolarHBondContact O-ND1 2.88Å; E766-G794 WeakPolarHBondContact CA-O 3.39Å |
| 767 | N | 85.4 | Confident | 73.3 | Confident | 152 Ų | 152 | 74.5 Ų | 74.5 | 81% | 0.813 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.6 | 9.5 | -177.2 | -53.2 | -45.7 | 0 | 0 | 0 | 116.6 | F765 | F765-N767 PolarHBondContact O-N 2.83Š|
| 768 | H | 90.4 | Very high | 75.4 | Confident | 45 Ų | 45 | 69.5 Ų | 69.5 | 21% | 0.208 | 35% | 0.352 | C | S | . | . | trans | -106.5 | 120.2 | 177.7 | -62.2 | 84.4 | 0 | 0 | 0 | 111.5 | F765 E766 V796 F806 | F765-H768 WeakPolarHBondContact O-CB 3.26Å; F765-H768 PolarHBondContact O-N 3.42Å; F765-H768 VanDerWaalsContact O-N 3.07Å; E766-H768 PolarHBondContact O-CE1 2.77Å; E766-H768 PolarHBondContact O-N 3.48Å; E766-H768 PolarHBondContact O-ND1 2.88Å; H768-V796 PolarHBondContact O-N 3.32Å; H768-F806 HydrophobicContact CB-CB 4.18Å; H768-F806 HydrophobicContact CB-CD1 4.05Å; H768-F806 HydrophobicContact CB-CG 4.22Å; H768-F806 AromaticContact CD2-CD1 3.49Å; H768-F806 VanDerWaalsContact CD2-CD1 3.49Å; H768-F806 WeakPolarHBondContact CD2-CD1 3.5Å; H768-F806 AromaticContact CD2-CD2 3.44Å; H768-F806 VanDerWaalsContact CD2-CD2 3.44Å; H768-F806 WeakPolarHBondContact CD2-CD2 3.17Å; H768-F806 AromaticContact CD2-CE1 3.62Å; H768-F806 AromaticContact CD2-CE2 3.56Å; H768-F806 AromaticContact CD2-CG 3.39Å; H768-F806 WeakPolarHBondContact CD2-CG 3.5Å; H768-F806 AromaticContact CD2-CZ 3.65Å; H768-F806 AromaticContact NE2-CE2 3.86Å; H768-F806 AromaticContact NE2-CZ 3.96Å | ||
| 769 | E | 93.5 | Very high | 77.4 | Confident | 31 Ų | 31 | 70 Ų | 70 | 15% | 0.145 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 116.9 | 170.7 | -177.8 | -176.7 | 107.6 | 0 | 0 | 110.1 | V796 V798 S802 S804 T805 F806 | E769-V796 CarbonylContact C-O 3.53Å; E769-V796 VanDerWaalsContact CA-O 3.3Å; E769-V796 WeakPolarHBondContact CA-O 3.49Å; E769-V796 HydrophobicContact CB-CB 4.4Å; E769-V796 HydrophobicContact CG-CB 4.49Å; E769-V796 HydrophobicContact CG-CG1 4.39Å; E769-V798 HydrophobicContact CG-CB 4.27Å; E769-V798 HydrophobicContact CG-CG1 3.61Å; E769-V798 HydrophobicContact CG-CG2 3.67Å; E769-S802 PolarHBondContact OE1-OG 2.93Å; E769-S804 PolarHBondContact OE2-OG 2.96Å; E769-S804 VanDerWaalsContact OE2-OG 3.05Å; E769-T805 CarbonylContact O-C 3.57Å; E769-T805 WeakPolarHBondContact OE1-CA 3.5Å; E769-T805 PolarHBondContact OE1-N 3.04Å; E769-T805 PolarHBondContact OE1-OG1 3.26Å; E769-F806 WeakPolarHBondContact O-CB 3.25Å; E769-F806 PolarHBondContact O-N 2.93Å |
| 770 | I | 94.3 | Very high | 79.2 | Confident | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 127.8 | -174.8 | -58 | 180 | 0 | 0 | 0 | 109.7 | F765 I790 V796 V797 V798 V809 | F765-I770 HydrophobicContact CD1-CD1 3.81Å; F765-I770 HydrophobicContact CE1-CD1 4.08Å; F765-I770 HydrophobicContact CG-CD1 4.37Å; I770-I790 HydrophobicContact CB-CD1 4.31Å; I770-I790 HydrophobicContact CB-CG2 4.49Å; I770-I790 HydrophobicContact CD1-CD1 4.32Å; I770-I790 HydrophobicContact CD1-CG1 4.38Å; I770-I790 HydrophobicContact CD1-CG2 4.02Å; I770-I790 HydrophobicContact CG2-CD1 4.01Å; I770-V796 PolarHBondContact N-O 2.98Å; I770-V797 WeakPolarHBondContact O-CA 3.45Å; I770-V798 PolarHBondContact O-N 3.01Å; I770-V798 VanDerWaalsContact O-N 3.09Å; I770-V809 HydrophobicContact CG2-CB 4.46Å; I770-V809 HydrophobicContact CG2-CG2 3.69Å |
| 771 | C | 92.8 | Very high | 80.7 | Confident | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 121.3 | 174.1 | -167.3 | 0 | 0 | 0 | 0 | 110.9 | W773 V798 P801 T805 C807 I808 V809 | C771-W773 VanDerWaalsContact SG-CD1 3.59Å; C771-W773 PolarHBondContact SG-NE1 3.44Å; C771-V798 WeakPolarHBondContact CA-O 3.46Å; C771-V798 HydrophobicContact CB-CG2 3.88Å; C771-V798 PolarHBondContact SG-O 3.28Å; C771-P801 HydrophobicContact CB-CB 4.43Å; C771-T805 HydrophobicContact CB-CG2 4Å; C771-C807 PolarHBondContact N-O 2.75Å; C771-I808 HydrophobicContact CB-CG1 4.19Å; C771-I808 CarbonylContact O-C 3.55Å; C771-I808 VanDerWaalsContact O-CA 3.31Å; C771-I808 WeakPolarHBondContact O-CA 3.45Å; C771-V809 PolarHBondContact O-N 2.86Å |
| 772 | L | 92.3 | Very high | 82.3 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 101.2 | -178.4 | -81.8 | 161.2 | 0 | 0 | 0 | 111.4 | L774 L786 E787 I790 V797 V809 L844 | L772-L774 HydrophobicContact CD2-CD1 4.19Å; L772-L774 HydrophobicContact CD2-CD2 4.06Å; L772-L774 HydrophobicContact CD2-CG 4.11Å; L772-L786 HydrophobicContact CD1-CB 4.33Å; L772-E787 HydrophobicContact CD1-CB 4.36Å; L772-E787 HydrophobicContact CD1-CG 3.55Å; L772-I790 HydrophobicContact CD1-CD1 3.56Å; L772-I790 HydrophobicContact CG-CD1 4.19Å; L772-V797 HydrophobicContact CD1-CG1 4.47Å; L772-V809 HydrophobicContact CD2-CB 3.83Å; L772-V809 HydrophobicContact CD2-CG1 3.9Å; L772-L844 HydrophobicContact CD2-CD2 3.91Å |
| 773 | W | 89.7 | Confident | 83.5 | Confident | 22 Ų | 22 | 55.1 Ų | 55.1 | 8% | 0.083 | 27% | 0.274 | C | S | . | . | trans | -106.9 | 64.9 | 174.1 | -74.8 | 6.2 | 0 | 0 | 0 | 110.5 | C771 Q799 P801 I808 V809 A810 K816 T817 L820 | C771-W773 VanDerWaalsContact SG-CD1 3.59Å; C771-W773 PolarHBondContact SG-NE1 3.44Å; W773-Q799 PolarHBondContact NE1-O 2.95Å; W773-Q799 VanDerWaalsContact NE1-O 3.13Å; W773-P801 HydrophobicContact CH2-CG 4.14Å; W773-P801 HydrophobicContact CZ2-CG 3.84Å; W773-I808 HydrophobicContact CB-CG2 3.93Å; W773-I808 HydrophobicContact CD2-CG2 3.83Å; W773-I808 HydrophobicContact CE3-CG2 3.87Å; W773-I808 HydrophobicContact CG-CG2 3.89Å; W773-I808 HydrophobicContact CH2-CD1 4.5Å; W773-I808 HydrophobicContact CZ3-CD1 4.35Å; W773-V809 CarbonylContact C-O 3.47Å; W773-V809 PolarHBondContact N-O 2.95Å; W773-A810 WeakPolarHBondContact O-CA 3.33Å; W773-A810 WeakPolarHBondContact O-CB 3.45Å; W773-K816 HydrophobicContact CD2-CD 3.9Å; W773-K816 HydrophobicContact CD2-CG 4.35Å; W773-K816 VanDerWaalsContact CE2-CE 3.44Å; W773-K816 HydrophobicContact CE3-CD 4.15Å; W773-K816 HydrophobicContact CE3-CG 4.08Å; W773-K816 HydrophobicContact CG-CD 4.41Å; W773-K816 HydrophobicContact CH2-CD 4.25Å; W773-K816 HydrophobicContact CH2-CG 4.02Å; W773-K816 HydrophobicContact CZ2-CD 4Å; W773-K816 HydrophobicContact CZ2-CG 4.28Å; W773-K816 HydrophobicContact CZ3-CD 4.32Å; W773-K816 HydrophobicContact CZ3-CG 3.92Å; W773-K816 VanDerWaalsContact NE1-NZ 3.12Å; W773-T817 HydrophobicContact CE3-CG2 3.78Å; W773-T817 HydrophobicContact CZ3-CG2 4.34Å; W773-L820 HydrophobicContact CH2-CB 4.28Å; W773-L820 HydrophobicContact CH2-CD1 4.1Å; W773-L820 HydrophobicContact CH2-CD2 3.88Å; W773-L820 HydrophobicContact CH2-CG 4.32Å; W773-L820 HydrophobicContact CZ3-CB 3.98Å; W773-L820 HydrophobicContact CZ3-CD2 3.72Å; W773-L820 HydrophobicContact CZ3-CG 4.3Å | ||
| 774 | L | 86.9 | Confident | 83.7 | Confident | 21 Ų | 21 | 55.1 Ų | 55.1 | 11% | 0.11 | 27% | 0.274 | C | S | . | . | trans | -78.1 | 142.5 | 174.2 | -53.1 | -174.4 | 0 | 0 | 0 | 109.9 | L772 I778 K783 L786 V809 D811 L841 | L772-L774 HydrophobicContact CD2-CD1 4.19Å; L772-L774 HydrophobicContact CD2-CD2 4.06Å; L772-L774 HydrophobicContact CD2-CG 4.11Å; L774-I778 HydrophobicContact CB-CB 4.32Å; L774-I778 HydrophobicContact CB-CD1 4.16Å; L774-I778 HydrophobicContact CD1-CD1 4.19Å; L774-I778 HydrophobicContact CD1-CG2 4.05Å; L774-I778 HydrophobicContact CD2-CD1 4.32Å; L774-I778 HydrophobicContact CG-CD1 4.44Å; L774-K783 HydrophobicContact CD1-CB 4.22Å; L774-K783 HydrophobicContact CD1-CG 4.25Å; L774-L786 HydrophobicContact CD1-CD1 3.76Å; L774-V809 HydrophobicContact CD2-CG1 4.46Å; L774-D811 WeakPolarHBondContact CA-OD1 3.21Å; L774-D811 HydrophobicContact CD2-CB 4.43Å; L774-L841 HydrophobicContact CD2-CB 4.37Å; L774-L841 HydrophobicContact CD2-CD1 4.05Å; L774-L841 HydrophobicContact CD2-CD2 4.15Å; L774-L841 HydrophobicContact CD2-CG 4.42Å | ||
| 775 | S | 78.8 | Confident | 83.8 | Confident | 6 Ų | 6 | 59.4 Ų | 59.4 | 4% | 0.042 | 30% | 0.295 | C | S | . | . | trans | -67.4 | 163.2 | 177.2 | 82.5 | 0 | 0 | 0 | 0 | 111.6 | D777 I778 D811 K812 | S775-D777 PolarHBondContact O-N 3.05Å; S775-D777 VanDerWaalsContact O-N 3.08Å; S775-D777 WeakPolarHBondContact OG-CB 3.32Å; S775-D777 PolarHBondContact OG-N 2.79Å; S775-I778 PolarHBondContact O-N 2.78Å; S775-I778 VanDerWaalsContact O-N 3.11Å; S775-D811 WeakPolarHBondContact CB-OD1 3.44Å; S775-D811 VanDerWaalsContact CB-OD2 3.23Å; S775-D811 WeakPolarHBondContact CB-OD2 3.34Å; S775-D811 PolarHBondContact N-OD1 3.38Å; S775-D811 PolarHBondContact OG-OD2 2.83Å; S775-K812 WeakPolarHBondContact OG-CE 3.4Å | ||
| 776 | N | 64.9 | Low | 83.8 | Confident | 105 Ų | 105 | 59.8 Ų | 59.8 | 56% | 0.561 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -10.1 | 178.6 | -66.9 | -23.3 | 0 | 0 | 0 | 113.1 | I778 | N776-I778 VanDerWaalsContact C-N 3.27Š|
| 777 | D | 73.7 | Confident | 84.1 | Confident | 119 Ų | 119 | 55.4 Ų | 55.4 | 64% | 0.636 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.6 | -18.8 | 176 | -51.5 | 11.8 | 0 | 0 | 0 | 111.6 | S775 K812 | S775-D777 PolarHBondContact O-N 3.05Å; S775-D777 VanDerWaalsContact O-N 3.08Å; S775-D777 WeakPolarHBondContact OG-CB 3.32Å; S775-D777 PolarHBondContact OG-N 2.79Å; D777-K812 IonicContact OD1-NZ 3.49Å; D777-K812 PolarHBondContact OD1-NZ 3.33Å; D777-K812 WeakPolarHBondContact OD2-CE 3.44Å; D777-K812 IonicContact OD2-NZ 3.39Å; D777-K812 PolarHBondContact OD2-NZ 3.14Å |
| 778 | I | 74.2 | Confident | 84.3 | Confident | 32 Ų | 32 | 50.7 Ų | 50.7 | 16% | 0.164 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -91.7 | 124.5 | 177.1 | -61.8 | -170.5 | 0 | 0 | 0 | 109.9 | L774 S775 N776 K782 D811 L841 | L774-I778 HydrophobicContact CB-CB 4.32Å; L774-I778 HydrophobicContact CB-CD1 4.16Å; L774-I778 HydrophobicContact CD1-CD1 4.19Å; L774-I778 HydrophobicContact CD1-CG2 4.05Å; L774-I778 HydrophobicContact CD2-CD1 4.32Å; L774-I778 HydrophobicContact CG-CD1 4.44Å; S775-I778 PolarHBondContact O-N 2.78Å; S775-I778 VanDerWaalsContact O-N 3.11Å; N776-I778 VanDerWaalsContact C-N 3.27Å; I778-K782 HydrophobicContact CG2-CB 4.05Å; I778-K782 HydrophobicContact CG2-CD 4.16Å; I778-K782 HydrophobicContact CG2-CG 4.18Å; I778-D811 HydrophobicContact CD1-CB 3.46Å; I778-D811 VanDerWaalsContact CD1-CB 3.46Å; I778-D811 WeakPolarHBondContact CD1-OD2 3.42Å; I778-D811 HydrophobicContact CG1-CB 4.43Å; I778-L841 HydrophobicContact CD1-CD2 3.32Å |
| 779 | E | 72.6 | Confident | 84.3 | Confident | 112 Ų | 112 | 50.9 Ų | 50.9 | 52% | 0.523 | 26% | 0.261 | S | S | . | . | trans | -52.5 | 138.2 | 178.9 | -63.3 | -176.9 | 177.6 | 0 | 0 | 112.7 | N781 K782 K783 | E779-N781 PolarHBondContact O-N 3.42Å; E779-K782 HydrophobicContact CB-CB 4.31Å; E779-K782 WeakPolarHBondContact O-CB 3.41Å; E779-K782 PolarHBondContact O-N 3.45Å; E779-K783 PolarHBondContact O-N 3.19Å | ||
| 780 | L | 73.6 | Confident | 84.2 | Confident | 106 Ų | 106 | 49.4 Ų | 49.4 | 56% | 0.555 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -58.3 | -36.4 | -178.9 | -175.9 | 64 | 0 | 0 | 0 | 112.2 | K783 L784 | L780-K783 PolarHBondContact O-N 2.69Å; L780-L784 HydrophobicContact CG-CD1 4.33Å; L780-L784 WeakPolarHBondContact O-CG 3.42Å; L780-L784 PolarHBondContact O-N 2.87Å |
| 781 | N | 74.8 | Confident | 84.1 | Confident | 44 Ų | 44 | 55.2 Ų | 55.2 | 24% | 0.235 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61.1 | -44.9 | 175.7 | -70.8 | 1.6 | 0 | 0 | 0 | 111 | S686 V688 E779 K783 L784 E785 | S686-N781 VanDerWaalsContact CB-ND2 3.3Å; S686-N781 WeakPolarHBondContact CB-ND2 3.42Å; S686-N781 PolarHBondContact OG-ND2 3.27Å; S686-N781 PolarHBondContact OG-OD1 2.83Å; V688-N781 WeakPolarHBondContact CG2-ND2 3.38Å; E779-N781 PolarHBondContact O-N 3.42Å; N781-K783 VanDerWaalsContact C-N 3.33Å; N781-K783 PolarHBondContact O-N 3.48Å; N781-L784 CarbonylContact O-C 3.44Å; N781-L784 PolarHBondContact O-N 2.9Å; N781-L784 VanDerWaalsContact O-N 3.14Å; N781-E785 WeakPolarHBondContact O-CB 3.18Å; N781-E785 WeakPolarHBondContact O-CG 3.4Å; N781-E785 PolarHBondContact O-N 3.21Å |
| 782 | K | 83.1 | Confident | 83.9 | Confident | 98 Ų | 98 | 64.5 Ų | 64.5 | 43% | 0.426 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -63.6 | -38.2 | 176.9 | -168.6 | 167.9 | -177.4 | 176.9 | 0 | 111.9 | I778 E779 L786 | I778-K782 HydrophobicContact CG2-CB 4.05Å; I778-K782 HydrophobicContact CG2-CD 4.16Å; I778-K782 HydrophobicContact CG2-CG 4.18Å; E779-K782 HydrophobicContact CB-CB 4.31Å; E779-K782 WeakPolarHBondContact O-CB 3.41Å; E779-K782 PolarHBondContact O-N 3.45Å; K782-L786 WeakPolarHBondContact O-CB 3.32Å; K782-L786 VanDerWaalsContact O-CG 3.24Å; K782-L786 WeakPolarHBondContact O-CG 3.28Å; K782-L786 PolarHBondContact O-N 3.46Å |
| 783 | K | 87.2 | Confident | 83.8 | Confident | 45 Ų | 45 | 67.1 Ų | 67.1 | 20% | 0.196 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -60.1 | -50.8 | 170.7 | -176.9 | -179.9 | 171.9 | -176.7 | 0 | 110.6 | L774 E779 L780 N781 E785 L786 E787 | L774-K783 HydrophobicContact CD1-CB 4.22Å; L774-K783 HydrophobicContact CD1-CG 4.25Å; E779-K783 PolarHBondContact O-N 3.19Å; L780-K783 PolarHBondContact O-N 2.69Å; N781-K783 VanDerWaalsContact C-N 3.33Å; N781-K783 PolarHBondContact O-N 3.48Å; K783-E785 VanDerWaalsContact C-N 3.33Å; K783-E785 PolarHBondContact O-N 3.03Å; K783-L786 PolarHBondContact O-N 2.94Å; K783-E787 WeakPolarHBondContact CE-OE1 3.23Å; K783-E787 HydrophobicContact CG-CG 4.44Å; K783-E787 IonicContact NZ-OE1 3.43Å; K783-E787 VanDerWaalsContact O-CG 3.32Å; K783-E787 WeakPolarHBondContact O-CG 3.2Å; K783-E787 PolarHBondContact O-N 3.44Å |
| 784 | L | 85.6 | Confident | 83.6 | Confident | 91 Ų | 91 | 67.5 Ų | 67.5 | 48% | 0.476 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -62.4 | -37.7 | -179.7 | -69.8 | 172.1 | 0 | 0 | 0 | 112.8 | L780 N781 E787 A788 | L780-L784 HydrophobicContact CG-CD1 4.33Å; L780-L784 WeakPolarHBondContact O-CG 3.42Å; L780-L784 PolarHBondContact O-N 2.87Å; N781-L784 CarbonylContact O-C 3.44Å; N781-L784 PolarHBondContact O-N 2.9Å; N781-L784 VanDerWaalsContact O-N 3.14Å; L784-E787 PolarHBondContact O-N 2.74Å; L784-A788 WeakPolarHBondContact O-CB 3.24Å; L784-A788 PolarHBondContact O-N 2.78Å |
| 785 | E | 89.4 | Confident | 83.8 | Confident | 117 Ų | 117 | 66.8 Ų | 66.8 | 55% | 0.547 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -62 | -48.7 | 172.8 | -77.3 | 173.5 | -173.8 | 0 | 0 | 111.3 | N781 K783 E787 A788 I789 | N781-E785 WeakPolarHBondContact O-CB 3.18Å; N781-E785 WeakPolarHBondContact O-CG 3.4Å; N781-E785 PolarHBondContact O-N 3.21Å; K783-E785 VanDerWaalsContact C-N 3.33Å; K783-E785 PolarHBondContact O-N 3.03Å; E785-E787 VanDerWaalsContact C-N 3.31Å; E785-E787 PolarHBondContact O-N 3.47Å; E785-A788 CarbonylContact O-C 3.4Å; E785-A788 WeakPolarHBondContact O-CB 3.3Å; E785-A788 PolarHBondContact O-N 3.34Å; E785-A788 VanDerWaalsContact O-N 3.12Å; E785-I789 WeakPolarHBondContact O-CB 3.32Å; E785-I789 VanDerWaalsContact O-CG1 3.24Å; E785-I789 WeakPolarHBondContact O-CG1 3.27Å; E785-I789 PolarHBondContact O-N 2.9Å |
| 786 | L | 91.3 | Very high | 84.4 | Confident | 7 Ų | 7 | 70.3 Ų | 70.3 | 4% | 0.037 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -60.3 | -42.2 | 175.6 | -70.7 | 168.8 | 0 | 0 | 0 | 111.3 | L772 L774 K782 K783 A788 I789 I790 L841 L844 L845 I848 | L772-L786 HydrophobicContact CD1-CB 4.33Å; L774-L786 HydrophobicContact CD1-CD1 3.76Å; K782-L786 WeakPolarHBondContact O-CB 3.32Å; K782-L786 VanDerWaalsContact O-CG 3.24Å; K782-L786 WeakPolarHBondContact O-CG 3.28Å; K782-L786 PolarHBondContact O-N 3.46Å; K783-L786 PolarHBondContact O-N 2.94Å; L786-A788 VanDerWaalsContact C-N 3.32Å; L786-A788 PolarHBondContact O-N 3.39Å; L786-I789 PolarHBondContact O-N 3.39Å; L786-I790 VanDerWaalsContact O-CG1 3.27Å; L786-I790 WeakPolarHBondContact O-CG1 3.48Å; L786-I790 PolarHBondContact O-N 3.36Å; L786-L841 HydrophobicContact CD1-CD1 3.68Å; L786-L844 HydrophobicContact CD2-CD2 4.2Å; L786-L845 HydrophobicContact CD2-CD2 3.89Å; L786-I848 HydrophobicContact CD2-CD1 3.74Å |
| 787 | E | 92.1 | Very high | 85.7 | Confident | 10 Ų | 10 | 66.1 Ų | 66.1 | 5% | 0.047 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -63.7 | -38 | 175 | -63.6 | -167.4 | -179.3 | 0 | 0 | 112.2 | L772 K783 L784 E785 R791 V797 Q799 | L772-E787 HydrophobicContact CD1-CB 4.36Å; L772-E787 HydrophobicContact CD1-CG 3.55Å; K783-E787 WeakPolarHBondContact CE-OE1 3.23Å; K783-E787 HydrophobicContact CG-CG 4.44Å; K783-E787 IonicContact NZ-OE1 3.43Å; K783-E787 VanDerWaalsContact O-CG 3.32Å; K783-E787 WeakPolarHBondContact O-CG 3.2Å; K783-E787 PolarHBondContact O-N 3.44Å; L784-E787 PolarHBondContact O-N 2.74Å; E785-E787 VanDerWaalsContact C-N 3.31Å; E785-E787 PolarHBondContact O-N 3.47Å; E787-R791 VanDerWaalsContact CB-NH1 3.3Å; E787-R791 VanDerWaalsContact O-CG 3.3Å; E787-R791 WeakPolarHBondContact O-CG 3.19Å; E787-R791 PolarHBondContact O-N 2.87Å; E787-R791 VanDerWaalsContact O-N 3.15Å; E787-R791 PolarHBondContact O-NH1 3.01Å; E787-R791 IonicContact OE2-CZ 3.74Å; E787-R791 IonicContact OE2-NH1 3.91Å; E787-R791 PolarHBondContact OE2-NH1 2.81Å; E787-R791 IonicContact OE2-NH2 2.78Å; E787-R791 PolarHBondContact OE2-NH2 3.34Å; E787-V797 HydrophobicContact CB-CG1 4.1Å; E787-V797 HydrophobicContact CB-CG2 4.21Å; E787-V797 HydrophobicContact CG-CG1 3.69Å; E787-Q799 PolarHBondContact OE1-NE2 3.39Å |
| 788 | A | 89.4 | Confident | 86.4 | Confident | 54 Ų | 54 | 61.9 Ų | 61.9 | 45% | 0.446 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -68.6 | -39.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | L784 E785 L786 R791 R792 | L784-A788 WeakPolarHBondContact O-CB 3.24Å; L784-A788 PolarHBondContact O-N 2.78Å; E785-A788 CarbonylContact O-C 3.4Å; E785-A788 WeakPolarHBondContact O-CB 3.3Å; E785-A788 PolarHBondContact O-N 3.34Å; E785-A788 VanDerWaalsContact O-N 3.12Å; L786-A788 VanDerWaalsContact C-N 3.32Å; L786-A788 PolarHBondContact O-N 3.39Å; A788-R791 PolarHBondContact O-N 2.74Å; A788-R792 WeakPolarHBondContact O-CB 3.38Å; A788-R792 PolarHBondContact O-N 3.2Å |
| 789 | I | 90.5 | Very high | 86.9 | Confident | 48 Ų | 48 | 64.4 Ų | 64.4 | 25% | 0.246 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -64.1 | -46.4 | 176.1 | -70.3 | 166 | 0 | 0 | 0 | 110.7 | E785 L786 R791 R792 Y793 I848 | E785-I789 WeakPolarHBondContact O-CB 3.32Å; E785-I789 VanDerWaalsContact O-CG1 3.24Å; E785-I789 WeakPolarHBondContact O-CG1 3.27Å; E785-I789 PolarHBondContact O-N 2.9Å; L786-I789 PolarHBondContact O-N 3.39Å; I789-R791 VanDerWaalsContact C-N 3.33Å; I789-R791 PolarHBondContact O-N 3.18Å; I789-R792 PolarHBondContact O-N 3.29Å; I789-Y793 HydrophobicContact CG2-CD2 3.69Å; I789-Y793 HydrophobicContact CG2-CE2 3.78Å; I789-Y793 VanDerWaalsContact O-CD2 3.24Å; I789-Y793 WeakPolarHBondContact O-CD2 3.47Å; I789-Y793 PolarHBondContact O-N 3.36Å; I789-Y793 VanDerWaalsContact O-N 3.08Å; I789-I848 HydrophobicContact CB-CD1 4.47Å; I789-I848 HydrophobicContact CD1-CD1 4.48Å; I789-I848 HydrophobicContact CG2-CD1 3.69Å; I789-I848 HydrophobicContact CG2-CG1 3.7Å; I789-I848 HydrophobicContact CG2-CG2 4.16Å |
| 790 | I | 91.4 | Very high | 87.4 | Confident | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -57.4 | -48.3 | 176.2 | -68.5 | 164.7 | 0 | 0 | 0 | 110.2 | I770 L772 L786 R792 Y793 G794 G795 V797 L844 | I770-I790 HydrophobicContact CB-CD1 4.31Å; I770-I790 HydrophobicContact CB-CG2 4.49Å; I770-I790 HydrophobicContact CD1-CD1 4.32Å; I770-I790 HydrophobicContact CD1-CG1 4.38Å; I770-I790 HydrophobicContact CD1-CG2 4.02Å; I770-I790 HydrophobicContact CG2-CD1 4.01Å; L772-I790 HydrophobicContact CD1-CD1 3.56Å; L772-I790 HydrophobicContact CG-CD1 4.19Å; L786-I790 VanDerWaalsContact O-CG1 3.27Å; L786-I790 WeakPolarHBondContact O-CG1 3.48Å; L786-I790 PolarHBondContact O-N 3.36Å; I790-R792 PolarHBondContact O-N 2.88Å; I790-Y793 CarbonylContact O-C 3.57Å; I790-Y793 PolarHBondContact O-N 2.79Å; I790-G794 PolarHBondContact O-N 3.19Å; I790-G795 WeakPolarHBondContact O-CA 3.42Å; I790-G795 PolarHBondContact O-N 3.27Å; I790-V797 HydrophobicContact CB-CG2 3.74Å; I790-V797 HydrophobicContact CD1-CG2 4.12Å; I790-V797 HydrophobicContact CG2-CG2 3.57Å; I790-L844 HydrophobicContact CD1-CD1 4.19Å; I790-L844 HydrophobicContact CD1-CD2 3.95Å; I790-L844 HydrophobicContact CG1-CD1 4.01Å; I790-L844 HydrophobicContact CG1-CD2 4.44Å |
| 791 | R | 91.7 | Very high | 87.8 | Confident | 123 Ų | 123 | 60.4 Ų | 60.4 | 46% | 0.464 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -64.6 | -39 | 178.5 | -69.1 | -179.4 | -163.7 | 104.5 | 1.2 | 112.4 | E787 A788 I789 Y793 G794 G795 V797 | E787-R791 VanDerWaalsContact CB-NH1 3.3Å; E787-R791 VanDerWaalsContact O-CG 3.3Å; E787-R791 WeakPolarHBondContact O-CG 3.19Å; E787-R791 PolarHBondContact O-N 2.87Å; E787-R791 VanDerWaalsContact O-N 3.15Å; E787-R791 PolarHBondContact O-NH1 3.01Å; E787-R791 IonicContact OE2-CZ 3.74Å; E787-R791 IonicContact OE2-NH1 3.91Å; E787-R791 PolarHBondContact OE2-NH1 2.81Å; E787-R791 IonicContact OE2-NH2 2.78Å; E787-R791 PolarHBondContact OE2-NH2 3.34Å; A788-R791 PolarHBondContact O-N 2.74Å; I789-R791 VanDerWaalsContact C-N 3.33Å; I789-R791 PolarHBondContact O-N 3.18Å; R791-Y793 PolarHBondContact O-N 3.48Å; R791-G794 PolarHBondContact O-N 2.93Å; R791-G795 WeakPolarHBondContact CA-O 3.25Å; R791-V797 HydrophobicContact CG-CG2 4.04Å |
| 792 | R | 88.5 | Confident | 88.1 | Confident | 195 Ų | 195 | 60.3 Ų | 60.3 | 74% | 0.736 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -61.7 | -32.4 | 178.4 | -177.8 | 174.9 | -177.5 | 150.2 | 2.8 | 112.4 | A788 I789 I790 | A788-R792 WeakPolarHBondContact O-CB 3.38Å; A788-R792 PolarHBondContact O-N 3.2Å; I789-R792 PolarHBondContact O-N 3.29Å; I790-R792 PolarHBondContact O-N 2.88Å |
| 793 | Y | 90 | Very high | 88.1 | Confident | 55 Ų | 55 | 65.3 Ų | 65.3 | 22% | 0.216 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.2 | 24.3 | 179.9 | -64.1 | -60.9 | 0 | 0 | 0 | 113.3 | L762 N763 Y764 F765 I789 I790 R791 | L762-Y793 WeakPolarHBondContact O-CD1 3.48Å; N763-Y793 CarbonylContact C-O 3.51Å; N763-Y793 WeakPolarHBondContact CA-O 3.47Å; Y764-Y793 HydrophobicContact CD1-CD1 4.27Å; Y764-Y793 HydrophobicContact CD1-CG 4.31Å; Y764-Y793 AromaticContact CE1-CD1 3.55Å; Y764-Y793 HydrophobicContact CE1-CD1 3.55Å; Y764-Y793 AromaticContact CE1-CD2 3.87Å; Y764-Y793 HydrophobicContact CE1-CD2 3.87Å; Y764-Y793 AromaticContact CE1-CE1 3.98Å; Y764-Y793 HydrophobicContact CE1-CE1 3.98Å; Y764-Y793 HydrophobicContact CE1-CE2 4.29Å; Y764-Y793 AromaticContact CE1-CG 3.47Å; Y764-Y793 HydrophobicContact CE1-CG 3.47Å; Y764-Y793 VanDerWaalsContact CE1-CG 3.47Å; Y764-Y793 AromaticContact CZ-CD2 3.66Å; Y764-Y793 AromaticContact CZ-CG 3.68Å; Y764-Y793 PolarHBondContact N-O 3.3Å; Y764-Y793 WeakPolarHBondContact OH-CD2 3.47Å; Y764-Y793 VanDerWaalsContact OH-CE2 3.28Å; Y764-Y793 WeakPolarHBondContact OH-CE2 3.19Å; F765-Y793 PolarHBondContact N-O 3.16Å; I789-Y793 HydrophobicContact CG2-CD2 3.69Å; I789-Y793 HydrophobicContact CG2-CE2 3.78Å; I789-Y793 VanDerWaalsContact O-CD2 3.24Å; I789-Y793 WeakPolarHBondContact O-CD2 3.47Å; I789-Y793 PolarHBondContact O-N 3.36Å; I789-Y793 VanDerWaalsContact O-N 3.08Å; I790-Y793 CarbonylContact O-C 3.57Å; I790-Y793 PolarHBondContact O-N 2.79Å; R791-Y793 PolarHBondContact O-N 3.48Å |
| 794 | G | 86.9 | Confident | 88 | Confident | 30 Ų | 30 | 67 Ų | 67 | 31% | 0.309 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 94.5 | -1.2 | 167.8 | 0 | 0 | 0 | 0 | 0 | 116.8 | F765 E766 I790 R791 | F765-G794 CarbonylContact O-C 3.5Å; E766-G794 WeakPolarHBondContact CA-O 3.39Å; I790-G794 PolarHBondContact O-N 3.19Å; R791-G794 PolarHBondContact O-N 2.93Å |
| 795 | G | 90.3 | Very high | 88.2 | Confident | 6 Ų | 6 | 63.4 Ų | 63.4 | 6% | 0.062 | 33% | 0.33 | C | S | . | . | P | Polyproline II helix | trans | -84.1 | 155.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | F765 I790 R791 | F765-G795 VanDerWaalsContact O-CA 3.26Å; F765-G795 WeakPolarHBondContact O-CA 3.16Å; F765-G795 PolarHBondContact O-N 3.14Å; I790-G795 WeakPolarHBondContact O-CA 3.42Å; I790-G795 PolarHBondContact O-N 3.27Å; R791-G795 WeakPolarHBondContact CA-O 3.25Å |
| 796 | V | 91.7 | Very high | 88.4 | Confident | 79 Ų | 79 | 60.6 Ų | 60.6 | 48% | 0.479 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 124.2 | 174.6 | 179.9 | 0 | 0 | 0 | 0 | 109 | H768 E769 I770 V798 | H768-V796 PolarHBondContact O-N 3.32Å; E769-V796 CarbonylContact C-O 3.53Å; E769-V796 VanDerWaalsContact CA-O 3.3Å; E769-V796 WeakPolarHBondContact CA-O 3.49Å; E769-V796 HydrophobicContact CB-CB 4.4Å; E769-V796 HydrophobicContact CG-CB 4.49Å; E769-V796 HydrophobicContact CG-CG1 4.39Å; I770-V796 PolarHBondContact N-O 2.98Å; V796-V798 HydrophobicContact CG1-CG1 4.36Å |
| 797 | V | 91.8 | Very high | 88.4 | Confident | 18 Ų | 18 | 60.3 Ų | 60.3 | 11% | 0.109 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 124.5 | 178.3 | 176.9 | 0 | 0 | 0 | 0 | 110.5 | I770 L772 E787 I790 R791 | I770-V797 WeakPolarHBondContact O-CA 3.45Å; L772-V797 HydrophobicContact CD1-CG1 4.47Å; E787-V797 HydrophobicContact CB-CG1 4.1Å; E787-V797 HydrophobicContact CB-CG2 4.21Å; E787-V797 HydrophobicContact CG-CG1 3.69Å; I790-V797 HydrophobicContact CB-CG2 3.74Å; I790-V797 HydrophobicContact CD1-CG2 4.12Å; I790-V797 HydrophobicContact CG2-CG2 3.57Å; R791-V797 HydrophobicContact CG-CG2 4.04Å |
| 798 | V | 89.1 | Confident | 88.5 | Confident | 29 Ų | 29 | 59.8 Ų | 59.8 | 18% | 0.176 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 147.9 | 175.9 | -64.6 | 0 | 0 | 0 | 0 | 111.7 | E769 I770 C771 V796 N800 | E769-V798 HydrophobicContact CG-CB 4.27Å; E769-V798 HydrophobicContact CG-CG1 3.61Å; E769-V798 HydrophobicContact CG-CG2 3.67Å; I770-V798 PolarHBondContact O-N 3.01Å; I770-V798 VanDerWaalsContact O-N 3.09Å; C771-V798 WeakPolarHBondContact CA-O 3.46Å; C771-V798 HydrophobicContact CB-CG2 3.88Å; C771-V798 PolarHBondContact SG-O 3.28Å; V796-V798 HydrophobicContact CG1-CG1 4.36Å; V798-N800 WeakPolarHBondContact CG2-O 3.32Å |
| 799 | Q | 83.5 | Confident | 88.8 | Confident | 86 Ų | 86 | 57.2 Ų | 57.2 | 40% | 0.402 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -86.4 | -24.3 | -179.7 | -63.5 | -59.7 | -35.8 | 0 | 0 | 113.2 | W773 E787 | W773-Q799 PolarHBondContact NE1-O 2.95Å; W773-Q799 VanDerWaalsContact NE1-O 3.13Å; E787-Q799 PolarHBondContact OE1-NE2 3.39Å |
| 800 | N | 83.1 | Confident | 88.9 | Confident | 109 Ų | 109 | 55 Ų | 55 | 58% | 0.583 | 28% | 0.279 | S | S | * | . | S | Bend | trans | -128.3 | 137.3 | 173 | -62.4 | -50.7 | 0 | 0 | 0 | 108.1 | V798 K816 | V798-N800 WeakPolarHBondContact CG2-O 3.32Å; N800-K816 PolarHBondContact OD1-NZ 3.15Å |
| 801 | P | 83.3 | Confident | 88.8 | Confident | 25 Ų | 25 | 56.3 Ų | 56.3 | 16% | 0.162 | 29% | 0.286 | C | S | . | . | trans | -66.6 | 150.5 | 178.8 | 29.8 | -35 | 0 | 0 | 0 | 110.7 | C771 W773 T805 I808 Y836 | C771-P801 HydrophobicContact CB-CB 4.43Å; W773-P801 HydrophobicContact CH2-CG 4.14Å; W773-P801 HydrophobicContact CZ2-CG 3.84Å; P801-T805 VanDerWaalsContact CA-OG1 3.24Å; P801-T805 WeakPolarHBondContact CA-OG1 3.47Å; P801-T805 HydrophobicContact CB-CG2 4.05Å; P801-I808 HydrophobicContact CB-CD1 3.9Å; P801-I808 HydrophobicContact CB-CG1 4.05Å; P801-I808 HydrophobicContact CG-CD1 3.8Å; P801-I808 HydrophobicContact CG-CG1 4.39Å; P801-Y836 HydrophobicContact CB-CD1 4.07Å; P801-Y836 HydrophobicContact CB-CE1 3.83Å | ||
| 802 | S | 81.4 | Confident | 88.5 | Confident | 42 Ų | 42 | 54.5 Ų | 54.5 | 29% | 0.294 | 28% | 0.282 | S | S | . | . | trans | -131.4 | 174.9 | 177.1 | 81.4 | 0 | 0 | 0 | 0 | 109.5 | E769 S804 T805 Y836 | E769-S802 PolarHBondContact OE1-OG 2.93Å; S802-S804 PolarHBondContact O-N 3.42Å; S802-S804 VanDerWaalsContact O-N 3.12Å; S802-S804 PolarHBondContact OG-N 3.42Å; S802-S804 PolarHBondContact OG-OG 2.89Å; S802-T805 PolarHBondContact N-OG1 3.11Å; S802-T805 WeakPolarHBondContact O-CB 3.39Å; S802-T805 PolarHBondContact O-N 3.49Å; S802-T805 PolarHBondContact O-OG1 3Å; S802-Y836 WeakPolarHBondContact O-CE1 3.47Å | ||
| 803 | E | 81.9 | Confident | 88.1 | Confident | 202 Ų | 202 | 48.2 Ų | 48.2 | 94% | 0.944 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -23.3 | 176.1 | -65.7 | -179.5 | -176.6 | 0 | 0 | 113.2 | ||
| 804 | S | 84.6 | Confident | 87.6 | Confident | 80 Ų | 80 | 47.2 Ų | 47.2 | 56% | 0.559 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.7 | -3.9 | 175.7 | 49.4 | 0 | 0 | 0 | 0 | 114.5 | E769 S802 F806 | E769-S804 PolarHBondContact OE2-OG 2.96Å; E769-S804 VanDerWaalsContact OE2-OG 3.05Å; S802-S804 PolarHBondContact O-N 3.42Å; S802-S804 VanDerWaalsContact O-N 3.12Å; S802-S804 PolarHBondContact OG-N 3.42Å; S802-S804 PolarHBondContact OG-OG 2.89Å; S804-F806 PolarHBondContact O-N 2.73Å |
| 805 | T | 91.2 | Very high | 86.7 | Confident | 17 Ų | 17 | 51.2 Ų | 51.2 | 10% | 0.104 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 116.4 | -179.4 | -63.4 | 0 | 0 | 0 | 0 | 110.9 | E769 C771 P801 S802 C807 I808 | E769-T805 CarbonylContact O-C 3.57Å; E769-T805 WeakPolarHBondContact OE1-CA 3.5Å; E769-T805 PolarHBondContact OE1-N 3.04Å; E769-T805 PolarHBondContact OE1-OG1 3.26Å; C771-T805 HydrophobicContact CB-CG2 4Å; P801-T805 VanDerWaalsContact CA-OG1 3.24Å; P801-T805 WeakPolarHBondContact CA-OG1 3.47Å; P801-T805 HydrophobicContact CB-CG2 4.05Å; S802-T805 PolarHBondContact N-OG1 3.11Å; S802-T805 WeakPolarHBondContact O-CB 3.39Å; S802-T805 PolarHBondContact O-N 3.49Å; S802-T805 PolarHBondContact O-OG1 3Å; T805-C807 VanDerWaalsContact CG2-O 3.31Å; T805-C807 WeakPolarHBondContact CG2-O 3.36Å; T805-I808 HydrophobicContact CG2-CG1 4.44Å |
| 806 | F | 92 | Very high | 86.1 | Confident | 57 Ų | 57 | 55.6 Ų | 55.6 | 25% | 0.25 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.9 | -47.2 | 176.7 | 173.1 | -121.1 | 0 | 0 | 0 | 112.1 | H768 E769 S804 W843 W856 | H768-F806 HydrophobicContact CB-CB 4.18Å; H768-F806 HydrophobicContact CB-CD1 4.05Å; H768-F806 HydrophobicContact CB-CG 4.22Å; H768-F806 AromaticContact CD2-CD1 3.49Å; H768-F806 VanDerWaalsContact CD2-CD1 3.49Å; H768-F806 WeakPolarHBondContact CD2-CD1 3.5Å; H768-F806 AromaticContact CD2-CD2 3.44Å; H768-F806 VanDerWaalsContact CD2-CD2 3.44Å; H768-F806 WeakPolarHBondContact CD2-CD2 3.17Å; H768-F806 AromaticContact CD2-CE1 3.62Å; H768-F806 AromaticContact CD2-CE2 3.56Å; H768-F806 AromaticContact CD2-CG 3.39Å; H768-F806 WeakPolarHBondContact CD2-CG 3.5Å; H768-F806 AromaticContact CD2-CZ 3.65Å; H768-F806 AromaticContact NE2-CE2 3.86Å; H768-F806 AromaticContact NE2-CZ 3.96Å; E769-F806 WeakPolarHBondContact O-CB 3.25Å; E769-F806 PolarHBondContact O-N 2.93Å; S804-F806 PolarHBondContact O-N 2.73Å; F806-W843 AromaticContact CE1-CH2 3.89Å; F806-W843 HydrophobicContact CE1-CH2 3.89Å; F806-W843 HydrophobicContact CE1-CZ2 4.34Å; F806-W856 HydrophobicContact CD1-CZ2 4.06Å; F806-W856 HydrophobicContact CD2-CH2 4.1Å; F806-W856 HydrophobicContact CD2-CZ2 4.42Å; F806-W856 HydrophobicContact CE1-CH2 4.08Å; F806-W856 AromaticContact CE1-CZ2 3.46Å; F806-W856 HydrophobicContact CE1-CZ2 3.46Å; F806-W856 VanDerWaalsContact CE1-CZ2 3.46Å; F806-W856 AromaticContact CE2-CH2 3.65Å; F806-W856 HydrophobicContact CE2-CH2 3.65Å; F806-W856 AromaticContact CE2-CZ2 3.89Å; F806-W856 HydrophobicContact CE2-CZ2 3.89Å; F806-W856 HydrophobicContact CE2-CZ3 4.47Å; F806-W856 AromaticContact CZ-CH2 3.64Å; F806-W856 HydrophobicContact CZ-CH2 3.64Å; F806-W856 AromaticContact CZ-CZ2 3.36Å; F806-W856 HydrophobicContact CZ-CZ2 3.36Å |
| 807 | C | 93.1 | Very high | 85.3 | Confident | 1 Ų | 1 | 51.8 Ų | 51.8 | 1% | 0.007 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.3 | 158.8 | 174.7 | 62.6 | 0 | 0 | 0 | 0 | 113.3 | C771 T805 N837 V839 W856 | C771-C807 PolarHBondContact N-O 2.75Å; T805-C807 VanDerWaalsContact CG2-O 3.31Å; T805-C807 WeakPolarHBondContact CG2-O 3.36Å; C807-N837 WeakPolarHBondContact CA-O 3.28Å; C807-N837 HydrophobicContact CB-CB 4.38Å; C807-V839 HydrophobicContact CB-CG2 3.66Å; C807-W856 HydrophobicContact CB-CH2 4.18Å; C807-W856 HydrophobicContact CB-CZ2 3.71Å |
| 808 | I | 94 | Very high | 84.5 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 115.5 | 168 | -55.8 | 173.6 | 0 | 0 | 0 | 107.3 | C771 W773 P801 T805 L820 Y836 N837 V838 V839 | C771-I808 HydrophobicContact CB-CG1 4.19Å; C771-I808 CarbonylContact O-C 3.55Å; C771-I808 VanDerWaalsContact O-CA 3.31Å; C771-I808 WeakPolarHBondContact O-CA 3.45Å; W773-I808 HydrophobicContact CB-CG2 3.93Å; W773-I808 HydrophobicContact CD2-CG2 3.83Å; W773-I808 HydrophobicContact CE3-CG2 3.87Å; W773-I808 HydrophobicContact CG-CG2 3.89Å; W773-I808 HydrophobicContact CH2-CD1 4.5Å; W773-I808 HydrophobicContact CZ3-CD1 4.35Å; P801-I808 HydrophobicContact CB-CD1 3.9Å; P801-I808 HydrophobicContact CB-CG1 4.05Å; P801-I808 HydrophobicContact CG-CD1 3.8Å; P801-I808 HydrophobicContact CG-CG1 4.39Å; T805-I808 HydrophobicContact CG2-CG1 4.44Å; I808-L820 HydrophobicContact CD1-CD2 3.28Å; I808-Y836 HydrophobicContact CD1-CG 4.03Å; I808-N837 PolarHBondContact N-O 3.04Å; I808-V838 HydrophobicContact CB-CG2 4.37Å; I808-V838 HydrophobicContact CD1-CG2 4.45Å; I808-V838 CarbonylContact O-C 3.56Å; I808-V838 VanDerWaalsContact O-CA 3.32Å; I808-V838 WeakPolarHBondContact O-CA 3.33Å; I808-V839 PolarHBondContact O-N 3.1Å |
| 809 | V | 94.4 | Very high | 83.6 | Confident | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 120.4 | 175.6 | 178.5 | 0 | 0 | 0 | 0 | 108.9 | I770 C771 L772 W773 L774 V839 L841 W843 L844 | I770-V809 HydrophobicContact CG2-CB 4.46Å; I770-V809 HydrophobicContact CG2-CG2 3.69Å; C771-V809 PolarHBondContact O-N 2.86Å; L772-V809 HydrophobicContact CD2-CB 3.83Å; L772-V809 HydrophobicContact CD2-CG1 3.9Å; W773-V809 CarbonylContact C-O 3.47Å; W773-V809 PolarHBondContact N-O 2.95Å; L774-V809 HydrophobicContact CD2-CG1 4.46Å; V809-V839 WeakPolarHBondContact CA-O 3.37Å; V809-L841 HydrophobicContact CG1-CB 4.26Å; V809-L841 HydrophobicContact CG1-CD1 3.99Å; V809-W843 HydrophobicContact CG2-CZ3 4.41Å; V809-L844 HydrophobicContact CG1-CB 4.09Å; V809-L844 HydrophobicContact CG1-CD2 4.09Å; V809-L844 HydrophobicContact CG2-CB 4.44Å |
| 810 | A | 92.1 | Very high | 83.2 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 146.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | W773 T817 V838 V839 H840 L841 F862 | W773-A810 WeakPolarHBondContact O-CA 3.33Å; W773-A810 WeakPolarHBondContact O-CB 3.45Å; A810-T817 HydrophobicContact CB-CG2 4.11Å; A810-V838 HydrophobicContact CB-CG1 4.18Å; A810-V839 PolarHBondContact N-O 3.01Å; A810-H840 CarbonylContact O-C 3.19Å; A810-H840 VanDerWaalsContact O-CA 3.32Å; A810-H840 WeakPolarHBondContact O-CA 3.49Å; A810-L841 PolarHBondContact O-N 3.15Å; A810-F862 HydrophobicContact CB-CD2 4.36Å; A810-F862 HydrophobicContact CB-CE2 4.39Å; A810-F862 WeakPolarHBondContact O-CE2 3.13Å |
| 811 | D | 89.7 | Confident | 82.6 | Confident | 29 Ų | 29 | 53.7 Ų | 53.7 | 16% | 0.155 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -88.2 | -30.8 | 172 | 64.9 | -40.3 | 0 | 0 | 0 | 112.2 | L774 S775 I778 L841 | L774-D811 WeakPolarHBondContact CA-OD1 3.21Å; L774-D811 HydrophobicContact CD2-CB 4.43Å; S775-D811 WeakPolarHBondContact CB-OD1 3.44Å; S775-D811 VanDerWaalsContact CB-OD2 3.23Å; S775-D811 WeakPolarHBondContact CB-OD2 3.34Å; S775-D811 PolarHBondContact N-OD1 3.38Å; S775-D811 PolarHBondContact OG-OD2 2.83Å; I778-D811 HydrophobicContact CD1-CB 3.46Å; I778-D811 VanDerWaalsContact CD1-CB 3.46Å; I778-D811 WeakPolarHBondContact CD1-OD2 3.42Å; I778-D811 HydrophobicContact CG1-CB 4.43Å; D811-L841 HydrophobicContact CB-CB 4.17Å; D811-L841 HydrophobicContact CB-CD2 4.16Å |
| 812 | K | 86 | Confident | 81.5 | Confident | 84 Ų | 84 | 56.6 Ų | 56.6 | 37% | 0.365 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -148.5 | 163.9 | 171.1 | 61.5 | 177.1 | 177.1 | -172.6 | 0 | 112.2 | S775 D777 T814 | S775-K812 WeakPolarHBondContact OG-CE 3.4Å; D777-K812 IonicContact OD1-NZ 3.49Å; D777-K812 PolarHBondContact OD1-NZ 3.33Å; D777-K812 WeakPolarHBondContact OD2-CE 3.44Å; D777-K812 IonicContact OD2-NZ 3.39Å; D777-K812 PolarHBondContact OD2-NZ 3.14Å; K812-T814 HydrophobicContact CG-CG2 4.37Å; K812-T814 PolarHBondContact O-N 3.18Å |
| 813 | L | 80.9 | Confident | 80 | Confident | 63 Ų | 63 | 63 Ų | 63 | 33% | 0.33 | 31% | 0.309 | S | S | . | . | trans | -74.9 | 83.8 | 173.6 | -70.6 | 173.9 | 0 | 0 | 0 | 111.5 | K818 L821 F862 | L813-K818 HydrophobicContact CB-CG 4.16Å; L813-K818 VanDerWaalsContact O-CE 3.29Å; L813-K818 WeakPolarHBondContact O-CE 3.48Å; L813-L821 HydrophobicContact CD2-CD1 3.73Å; L813-F862 HydrophobicContact CD1-CD1 3.96Å; L813-F862 HydrophobicContact CD1-CE1 4.46Å; L813-F862 HydrophobicContact CD2-CB 3.97Å; L813-F862 HydrophobicContact CD2-CD1 4.06Å; L813-F862 HydrophobicContact CD2-CG 4.02Å; L813-F862 HydrophobicContact CG-CD1 3.67Å; L813-F862 HydrophobicContact CG-CE1 4.04Å; L813-F862 HydrophobicContact CG-CG 4.13Å | ||
| 814 | T | 77.7 | Confident | 78 | Confident | 35 Ų | 35 | 56.9 Ų | 56.9 | 22% | 0.215 | 29% | 0.289 | C | S | . | . | trans | -66.8 | 168.1 | 170 | 70.8 | 0 | 0 | 0 | 0 | 112.4 | K812 K816 T817 K818 | K812-T814 HydrophobicContact CG-CG2 4.37Å; K812-T814 PolarHBondContact O-N 3.18Å; T814-K816 PolarHBondContact O-N 3.36Å; T814-K816 PolarHBondContact OG1-N 2.77Å; T814-T817 PolarHBondContact N-OG1 3.29Å; T814-T817 PolarHBondContact O-N 3.05Å; T814-T817 PolarHBondContact O-OG1 3.08Å; T814-T817 PolarHBondContact OG1-N 3.12Å; T814-T817 PolarHBondContact OG1-OG1 3.33Å; T814-K818 WeakPolarHBondContact O-CB 3.29Å; T814-K818 WeakPolarHBondContact O-CG 3.46Å; T814-K818 PolarHBondContact O-N 3.05Å | ||
| 815 | L | 69.4 | Low | 76 | Confident | 113 Ų | 113 | 57.3 Ų | 57.3 | 59% | 0.592 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -57.5 | -34.4 | 174.1 | -140.6 | 103.3 | 0 | 0 | 0 | 111.8 | N819 | L815-N819 VanDerWaalsContact O-CB 3.23Å; L815-N819 WeakPolarHBondContact O-CB 3.37Å; L815-N819 PolarHBondContact O-N 2.97Å; L815-N819 PolarHBondContact O-ND2 3.41Å; L815-N819 PolarHBondContact O-OD1 2.93Å |
| 816 | K | 76.8 | Confident | 73.8 | Confident | 98 Ų | 98 | 62.8 Ų | 62.8 | 43% | 0.426 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -65 | -48 | 177 | -165.5 | -175.7 | -174.7 | -169.4 | 0 | 111.6 | W773 N800 T814 L820 | W773-K816 HydrophobicContact CD2-CD 3.9Å; W773-K816 HydrophobicContact CD2-CG 4.35Å; W773-K816 VanDerWaalsContact CE2-CE 3.44Å; W773-K816 HydrophobicContact CE3-CD 4.15Å; W773-K816 HydrophobicContact CE3-CG 4.08Å; W773-K816 HydrophobicContact CG-CD 4.41Å; W773-K816 HydrophobicContact CH2-CD 4.25Å; W773-K816 HydrophobicContact CH2-CG 4.02Å; W773-K816 HydrophobicContact CZ2-CD 4Å; W773-K816 HydrophobicContact CZ2-CG 4.28Å; W773-K816 HydrophobicContact CZ3-CD 4.32Å; W773-K816 HydrophobicContact CZ3-CG 3.92Å; W773-K816 VanDerWaalsContact NE1-NZ 3.12Å; N800-K816 PolarHBondContact OD1-NZ 3.15Å; T814-K816 PolarHBondContact O-N 3.36Å; T814-K816 PolarHBondContact OG1-N 2.77Å; K816-L820 PolarHBondContact O-N 2.63Å; K816-L820 VanDerWaalsContact O-N 3.14Å |
| 817 | T | 75 | Confident | 71.1 | Confident | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -65 | -45.1 | 175 | 9.7 | 0 | 0 | 0 | 0 | 111 | W773 A810 T814 N819 L820 L821 V838 | W773-T817 HydrophobicContact CE3-CG2 3.78Å; W773-T817 HydrophobicContact CZ3-CG2 4.34Å; A810-T817 HydrophobicContact CB-CG2 4.11Å; T814-T817 PolarHBondContact N-OG1 3.29Å; T814-T817 PolarHBondContact O-N 3.05Å; T814-T817 PolarHBondContact O-OG1 3.08Å; T814-T817 PolarHBondContact OG1-N 3.12Å; T814-T817 PolarHBondContact OG1-OG1 3.33Å; T817-N819 PolarHBondContact O-N 3.2Å; T817-L820 WeakPolarHBondContact O-CB 3.42Å; T817-L820 PolarHBondContact O-N 2.91Å; T817-L821 VanDerWaalsContact O-CG 3.28Å; T817-L821 WeakPolarHBondContact O-CG 3.28Å; T817-L821 PolarHBondContact O-N 2.93Å; T817-V838 HydrophobicContact CG2-CG1 3.83Å |
| 818 | K | 74.5 | Confident | 68.6 | Low | 102 Ų | 102 | 74.2 Ų | 74.2 | 44% | 0.443 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -61.8 | -41.8 | 177.4 | -73.5 | 179.8 | 178.5 | 177.7 | 0 | 112.4 | L813 T814 L820 L821 N822 | L813-K818 HydrophobicContact CB-CG 4.16Å; L813-K818 VanDerWaalsContact O-CE 3.29Å; L813-K818 WeakPolarHBondContact O-CE 3.48Å; T814-K818 WeakPolarHBondContact O-CB 3.29Å; T814-K818 WeakPolarHBondContact O-CG 3.46Å; T814-K818 PolarHBondContact O-N 3.05Å; K818-L820 VanDerWaalsContact C-N 3.32Å; K818-L820 PolarHBondContact O-N 3.18Å; K818-L821 CarbonylContact O-C 3.58Å; K818-L821 PolarHBondContact O-N 3.43Å; K818-N822 WeakPolarHBondContact O-CA 3.42Å; K818-N822 WeakPolarHBondContact O-CB 3.45Å; K818-N822 VanDerWaalsContact O-CG 3.26Å; K818-N822 PolarHBondContact O-N 3.13Å |
| 819 | N | 70.7 | Confident | 66.1 | Low | 91 Ų | 91 | 84 Ų | 84 | 49% | 0.487 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -66.9 | -34.9 | 177.9 | -72.5 | -9.3 | 0 | 0 | 0 | 112 | L815 T817 L821 | L815-N819 VanDerWaalsContact O-CB 3.23Å; L815-N819 WeakPolarHBondContact O-CB 3.37Å; L815-N819 PolarHBondContact O-N 2.97Å; L815-N819 PolarHBondContact O-ND2 3.41Å; L815-N819 PolarHBondContact O-OD1 2.93Å; T817-N819 PolarHBondContact O-N 3.2Å; N819-L821 VanDerWaalsContact C-N 3.33Å |
| 820 | L | 75.1 | Confident | 63.4 | Low | 55 Ų | 55 | 94.3 Ų | 94.3 | 29% | 0.288 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -63.6 | -40.2 | 172.1 | -167.6 | 80 | 0 | 0 | 0 | 111.3 | W773 I808 K816 T817 K818 Y836 | W773-L820 HydrophobicContact CH2-CB 4.28Å; W773-L820 HydrophobicContact CH2-CD1 4.1Å; W773-L820 HydrophobicContact CH2-CD2 3.88Å; W773-L820 HydrophobicContact CH2-CG 4.32Å; W773-L820 HydrophobicContact CZ3-CB 3.98Å; W773-L820 HydrophobicContact CZ3-CD2 3.72Å; W773-L820 HydrophobicContact CZ3-CG 4.3Å; I808-L820 HydrophobicContact CD1-CD2 3.28Å; K816-L820 PolarHBondContact O-N 2.63Å; K816-L820 VanDerWaalsContact O-N 3.14Å; T817-L820 WeakPolarHBondContact O-CB 3.42Å; T817-L820 PolarHBondContact O-N 2.91Å; K818-L820 VanDerWaalsContact C-N 3.32Å; K818-L820 PolarHBondContact O-N 3.18Å; L820-Y836 HydrophobicContact CD1-CD2 4.2Å; L820-Y836 HydrophobicContact CD1-CE2 4.17Å; L820-Y836 HydrophobicContact CD2-CD2 3.8Å; L820-Y836 HydrophobicContact CD2-CG 4.35Å; L820-Y836 HydrophobicContact CG-CD2 4.2Å |
| 821 | L | 71.6 | Confident | 60.7 | Low | 33 Ų | 33 | 98.8 Ų | 98.8 | 17% | 0.173 | 50% | 0.497 | C | S | . | . | H | α-helix | trans | -78.8 | -32.5 | 179.8 | -63.5 | 172.9 | 0 | 0 | 0 | 113.6 | L813 T817 K818 N819 I834 V838 A863 | L813-L821 HydrophobicContact CD2-CD1 3.73Å; T817-L821 VanDerWaalsContact O-CG 3.28Å; T817-L821 WeakPolarHBondContact O-CG 3.28Å; T817-L821 PolarHBondContact O-N 2.93Å; K818-L821 CarbonylContact O-C 3.58Å; K818-L821 PolarHBondContact O-N 3.43Å; N819-L821 VanDerWaalsContact C-N 3.33Å; L821-I834 HydrophobicContact CD2-CG2 4.11Å; L821-V838 HydrophobicContact CD2-CG2 4.11Å; L821-A863 HydrophobicContact CD1-CB 4.02Å; L821-A863 HydrophobicContact CD2-CB 3.28Å; L821-A863 HydrophobicContact CG-CB 4.29Å |
| 822 | N | 59.6 | Low | 58.7 | Low | 87 Ų | 87 | 102.3 Ų | 102.3 | 47% | 0.465 | 52% | 0.524 | S | S | . | . | trans | -90.7 | 8.4 | -172.9 | -74.7 | -13.3 | 0 | 0 | 0 | 114.2 | K818 S824 S825 | K818-N822 WeakPolarHBondContact O-CA 3.42Å; K818-N822 WeakPolarHBondContact O-CB 3.45Å; K818-N822 VanDerWaalsContact O-CG 3.26Å; K818-N822 PolarHBondContact O-N 3.13Å; N822-S824 PolarHBondContact O-N 2.85Å; N822-S825 PolarHBondContact O-N 2.93Å; N822-S825 VanDerWaalsContact O-N 3.12Å | ||
| 823 | Y | 50.3 | Low | 57.3 | Low | 177 Ų | 177 | 104.3 Ų | 104.3 | 69% | 0.694 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -2.7 | 173.4 | -122.1 | -83.9 | 0 | 0 | 0 | 113.6 | ||
| 824 | S | 40.2 | Very low | 56.5 | Low | 73 Ų | 73 | 104.5 Ų | 104.5 | 51% | 0.51 | 53% | 0.534 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | -15.6 | 175 | 65.6 | 0 | 0 | 0 | 0 | 115.7 | N822 | N822-S824 PolarHBondContact O-N 2.85Š|
| 825 | S | 41.2 | Very low | 56.4 | Low | 89 Ų | 89 | 109.9 Ų | 109.9 | 62% | 0.622 | 56% | 0.556 | S | S | * | * | S | Bend | trans | -95.1 | -12.9 | -163.3 | -59.5 | 0 | 0 | 0 | 0 | 116.4 | N822 | N822-S825 PolarHBondContact O-N 2.93Å; N822-S825 VanDerWaalsContact O-N 3.12Å |
| 826 | T | 44.4 | Very low | 57.2 | Low | 131 Ų | 131 | 106.7 Ų | 106.7 | 80% | 0.804 | 54% | 0.537 | S | S | * | . | S | Bend | trans | -130.5 | 7.1 | -170.3 | 51.7 | 0 | 0 | 0 | 0 | 115.6 | ||
| 827 | S | 35.2 | Very low | 57.9 | Low | 79 Ų | 79 | 102.6 Ų | 102.6 | 55% | 0.552 | 52% | 0.52 | S | S | * | . | trans | -139 | 107.6 | 177 | -83.9 | 0 | 0 | 0 | 0 | 112.1 | K829 | S827-K829 PolarHBondContact O-N 3.22Š| ||
| 828 | K | 41.2 | Very low | 58.8 | Low | 220 Ų | 220 | 102.6 Ų | 102.6 | 96% | 0.957 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | 20.3 | 175.7 | -75.2 | -177.5 | 174 | 175.5 | 0 | 115.5 | ||
| 829 | K | 41.5 | Very low | 59.7 | Low | 205 Ų | 205 | 97.8 Ų | 97.8 | 89% | 0.891 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -138.3 | 12.4 | -173.2 | -87 | -170.9 | 176.4 | 178.4 | 0 | 116.5 | S827 | S827-K829 PolarHBondContact O-N 3.22Š|
| 830 | R | 37.3 | Very low | 60.7 | Low | 217 Ų | 217 | 95.9 Ų | 95.9 | 82% | 0.819 | 49% | 0.487 | S | S | * | . | S | Bend | trans | -133.5 | 139.8 | 168.1 | -88 | -178.4 | 168.4 | 156.1 | -6.1 | 110.8 | ||
| 831 | S | 37.1 | Very low | 61.6 | Low | 93 Ų | 93 | 93.7 Ų | 93.7 | 65% | 0.65 | 48% | 0.475 | S | S | * | . | trans | -60.4 | 150 | -174 | 60 | 0 | 0 | 0 | 0 | 111.5 | F833 | S831-F833 PolarHBondContact O-N 3.35Š| ||
| 832 | S | 46.1 | Very low | 62.5 | Low | 103 Ų | 103 | 96.9 Ų | 96.9 | 72% | 0.72 | 49% | 0.492 | S | S | * | . | trans | -69.8 | 29.2 | -177.5 | 53.8 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 833 | F | 57.2 | Low | 64.2 | Low | 126 Ų | 126 | 92.8 Ų | 92.8 | 55% | 0.553 | 47% | 0.471 | S | S | * | . | trans | -92.3 | 116.8 | -173.3 | -87.3 | -99.7 | 0 | 0 | 0 | 111.1 | S831 E835 S866 | S831-F833 PolarHBondContact O-N 3.35Å; F833-E835 PolarHBondContact O-N 3.05Å; F833-S866 WeakPolarHBondContact CD1-OG 2.84Å; F833-S866 VanDerWaalsContact CE1-CB 3.42Å; F833-S866 VanDerWaalsContact CE1-OG 3.27Å; F833-S866 WeakPolarHBondContact CE1-OG 3.32Å | ||
| 834 | I | 63.8 | Low | 66.2 | Low | 68 Ų | 68 | 84.4 Ų | 84.4 | 35% | 0.349 | 44% | 0.438 | S | S | . | . | trans | -69 | 116.3 | 162.5 | -62.7 | 172.2 | 0 | 0 | 0 | 106.7 | L821 Y836 A863 N865 | L821-I834 HydrophobicContact CD2-CG2 4.11Å; I834-Y836 VanDerWaalsContact CG2-O 3.29Å; I834-Y836 WeakPolarHBondContact CG2-O 3.47Å; I834-A863 HydrophobicContact CD1-CB 4.43Å; I834-A863 HydrophobicContact CG2-CB 4.32Å; I834-N865 WeakPolarHBondContact O-CA 3.25Å; I834-N865 WeakPolarHBondContact O-CB 3.49Å | ||
| 835 | E | 77.1 | Confident | 68.7 | Low | 147 Ų | 147 | 83.4 Ų | 83.4 | 69% | 0.687 | 43% | 0.426 | S | S | * | . | trans | -83.3 | -27.9 | -176.9 | -71.3 | -179.8 | 167.6 | 0 | 0 | 112.9 | F833 | F833-E835 PolarHBondContact O-N 3.05Š| ||
| 836 | Y | 86.3 | Confident | 71.1 | Confident | 47 Ų | 47 | 80.8 Ų | 80.8 | 18% | 0.184 | 41% | 0.41 | C | S | . | . | S | Bend | trans | -114.6 | 142.6 | -171.6 | -58.6 | -74.9 | 0 | 0 | 0 | 112.7 | P801 S802 I808 L820 I834 | P801-Y836 HydrophobicContact CB-CD1 4.07Å; P801-Y836 HydrophobicContact CB-CE1 3.83Å; S802-Y836 WeakPolarHBondContact O-CE1 3.47Å; I808-Y836 HydrophobicContact CD1-CG 4.03Å; L820-Y836 HydrophobicContact CD1-CD2 4.2Å; L820-Y836 HydrophobicContact CD1-CE2 4.17Å; L820-Y836 HydrophobicContact CD2-CD2 3.8Å; L820-Y836 HydrophobicContact CD2-CG 4.35Å; L820-Y836 HydrophobicContact CG-CD2 4.2Å; I834-Y836 VanDerWaalsContact CG2-O 3.29Å; I834-Y836 WeakPolarHBondContact CG2-O 3.47Å |
| 837 | N | 91.3 | Very high | 73.3 | Confident | 12 Ų | 12 | 74.6 Ų | 74.6 | 6% | 0.064 | 37% | 0.372 | C | S | . | . | trans | -81.2 | 120.1 | 167.1 | -59.9 | -53.4 | 0 | 0 | 0 | 109 | C807 I808 W856 M861 N865 | C807-N837 WeakPolarHBondContact CA-O 3.28Å; C807-N837 HydrophobicContact CB-CB 4.38Å; I808-N837 PolarHBondContact N-O 3.04Å; N837-W856 HydrophobicContact CB-CH2 3.87Å; N837-W856 HydrophobicContact CB-CZ3 4.04Å; N837-M861 HydrophobicContact CB-CE 3.98Å; N837-N865 PolarHBondContact ND2-ND2 2.84Å; N837-N865 PolarHBondContact OD1-N 3.36Å | ||
| 838 | V | 92.2 | Very high | 76 | Confident | 0 Ų | 0 | 72.1 Ų | 72.1 | 0% | 0 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 117.7 | 175.5 | -171.6 | 0 | 0 | 0 | 0 | 108.1 | I808 A810 T817 L821 F862 A863 | I808-V838 HydrophobicContact CB-CG2 4.37Å; I808-V838 HydrophobicContact CD1-CG2 4.45Å; I808-V838 CarbonylContact O-C 3.56Å; I808-V838 VanDerWaalsContact O-CA 3.32Å; I808-V838 WeakPolarHBondContact O-CA 3.33Å; A810-V838 HydrophobicContact CB-CG1 4.18Å; T817-V838 HydrophobicContact CG2-CG1 3.83Å; L821-V838 HydrophobicContact CD2-CG2 4.11Å; V838-F862 HydrophobicContact CB-CB 4.09Å; V838-F862 HydrophobicContact CG1-CB 3.87Å; V838-F862 HydrophobicContact CG1-CD2 4.29Å; V838-F862 PolarHBondContact O-N 3.13Å; V838-A863 HydrophobicContact CB-CB 4.11Å; V838-A863 HydrophobicContact CG2-CB 4.13Å; V838-A863 PolarHBondContact N-O 2.95Å; V838-A863 PolarHBondContact O-N 3.3Å; V838-A863 VanDerWaalsContact O-N 3.14Å |
| 839 | V | 93.6 | Very high | 78.2 | Confident | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 144.2 | -168.9 | -164 | 0 | 0 | 0 | 0 | 109.5 | C807 I808 V809 A810 W843 W856 D860 M861 | C807-V839 HydrophobicContact CB-CG2 3.66Å; I808-V839 PolarHBondContact O-N 3.1Å; V809-V839 WeakPolarHBondContact CA-O 3.37Å; A810-V839 PolarHBondContact N-O 3.01Å; V839-W843 HydrophobicContact CB-CE3 4.48Å; V839-W843 HydrophobicContact CG1-CB 3.63Å; V839-W843 HydrophobicContact CG1-CD2 3.84Å; V839-W843 HydrophobicContact CG1-CE3 3.88Å; V839-W843 HydrophobicContact CG1-CG 3.74Å; V839-W856 HydrophobicContact CG2-CZ2 3.98Å; V839-D860 CarbonylContact C-O 3.49Å; V839-D860 WeakPolarHBondContact CA-O 3.38Å; V839-D860 HydrophobicContact CG1-CB 4.24Å; V839-D860 WeakPolarHBondContact CG1-O 3.29Å; V839-M861 HydrophobicContact CB-SD 4.39Å; V839-M861 HydrophobicContact CG1-SD 4.13Å; V839-M861 HydrophobicContact CG2-CE 4.4Å; V839-M861 HydrophobicContact CG2-SD 3.79Å |
| 840 | H | 92.8 | Very high | 80.4 | Confident | 51 Ų | 51 | 65.4 Ų | 65.4 | 24% | 0.236 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 141.9 | 177.5 | -155 | -80.2 | 0 | 0 | 0 | 110.8 | A810 N842 W843 D860 F862 | A810-H840 CarbonylContact O-C 3.19Å; A810-H840 VanDerWaalsContact O-CA 3.32Å; A810-H840 WeakPolarHBondContact O-CA 3.49Å; H840-N842 PolarHBondContact CE1-ND2 2.91Å; H840-N842 WeakPolarHBondContact ND1-CB 3.28Å; H840-N842 VanDerWaalsContact ND1-CG 3.26Å; H840-N842 PolarHBondContact ND1-N 3.38Å; H840-N842 PolarHBondContact ND1-ND2 3.19Å; H840-N842 PolarHBondContact O-N 3.09Å; H840-W843 WeakPolarHBondContact O-CB 3.2Å; H840-W843 PolarHBondContact O-N 3.37Å; H840-D860 WeakPolarHBondContact CB-O 3.45Å; H840-D860 PolarHBondContact N-O 2.69Å; H840-F862 HydrophobicContact CB-CE2 4.28Å; H840-F862 AromaticContact CD2-CE2 3.49Å; H840-F862 VanDerWaalsContact CD2-CE2 3.49Å; H840-F862 WeakPolarHBondContact CD2-CE2 3.49Å; H840-F862 AromaticContact CD2-CZ 3.31Å; H840-F862 WeakPolarHBondContact CD2-CZ 3.4Å; H840-F862 AromaticContact NE2-CZ 3.8Å |
| 841 | L | 93.2 | Very high | 82.8 | Confident | 10 Ų | 10 | 60.8 Ų | 60.8 | 5% | 0.052 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -53.6 | -28 | 174.6 | 175.8 | 61.5 | 0 | 0 | 0 | 113 | L774 I778 L786 V809 A810 D811 W843 L844 L845 | L774-L841 HydrophobicContact CD2-CB 4.37Å; L774-L841 HydrophobicContact CD2-CD1 4.05Å; L774-L841 HydrophobicContact CD2-CD2 4.15Å; L774-L841 HydrophobicContact CD2-CG 4.42Å; I778-L841 HydrophobicContact CD1-CD2 3.32Å; L786-L841 HydrophobicContact CD1-CD1 3.68Å; V809-L841 HydrophobicContact CG1-CB 4.26Å; V809-L841 HydrophobicContact CG1-CD1 3.99Å; A810-L841 PolarHBondContact O-N 3.15Å; D811-L841 HydrophobicContact CB-CB 4.17Å; D811-L841 HydrophobicContact CB-CD2 4.16Å; L841-W843 VanDerWaalsContact C-N 3.25Å; L841-W843 PolarHBondContact O-N 3.39Å; L841-L844 HydrophobicContact CD1-CB 4.4Å; L841-L844 HydrophobicContact CD1-CD2 4.13Å; L841-L844 PolarHBondContact O-N 3.19Å; L841-L844 VanDerWaalsContact O-N 3.14Å; L841-L845 HydrophobicContact CD1-CG 4.34Å; L841-L845 HydrophobicContact CG-CD1 4.12Å; L841-L845 HydrophobicContact CG-CG 4.22Å; L841-L845 WeakPolarHBondContact O-CG 3.47Å; L841-L845 PolarHBondContact O-N 3.38Å |
| 842 | N | 91 | Very high | 85.4 | Confident | 99 Ų | 99 | 58.6 Ų | 58.6 | 53% | 0.529 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -61.5 | -33.2 | 178.7 | -71.3 | -6.1 | 0 | 0 | 0 | 112.2 | H840 L845 A846 | H840-N842 PolarHBondContact CE1-ND2 2.91Å; H840-N842 WeakPolarHBondContact ND1-CB 3.28Å; H840-N842 VanDerWaalsContact ND1-CG 3.26Å; H840-N842 PolarHBondContact ND1-N 3.38Å; H840-N842 PolarHBondContact ND1-ND2 3.19Å; H840-N842 PolarHBondContact O-N 3.09Å; N842-L845 PolarHBondContact O-N 3.41Å; N842-A846 VanDerWaalsContact O-CB 3.28Å; N842-A846 WeakPolarHBondContact O-CB 3.49Å; N842-A846 PolarHBondContact O-N 3.43Å |
| 843 | W | 94.7 | Very high | 87.5 | Confident | 2 Ų | 2 | 56.6 Ų | 56.6 | 1% | 0.008 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -66.3 | -43.6 | 174.8 | 170.4 | 83.5 | 0 | 0 | 0 | 111.6 | F765 F806 V809 V839 H840 L841 L845 A846 C847 L853 L854 W856 D860 | F765-W843 HydrophobicContact CE1-CH2 4.38Å; F806-W843 AromaticContact CE1-CH2 3.89Å; F806-W843 HydrophobicContact CE1-CH2 3.89Å; F806-W843 HydrophobicContact CE1-CZ2 4.34Å; V809-W843 HydrophobicContact CG2-CZ3 4.41Å; V839-W843 HydrophobicContact CB-CE3 4.48Å; V839-W843 HydrophobicContact CG1-CB 3.63Å; V839-W843 HydrophobicContact CG1-CD2 3.84Å; V839-W843 HydrophobicContact CG1-CE3 3.88Å; V839-W843 HydrophobicContact CG1-CG 3.74Å; H840-W843 WeakPolarHBondContact O-CB 3.2Å; H840-W843 PolarHBondContact O-N 3.37Å; L841-W843 VanDerWaalsContact C-N 3.25Å; L841-W843 PolarHBondContact O-N 3.39Å; W843-L845 PolarHBondContact O-N 2.98Å; W843-A846 PolarHBondContact O-N 3.01Å; W843-C847 PolarHBondContact O-N 3.21Å; W843-C847 PolarHBondContact O-SG 3.46Å; W843-L853 HydrophobicContact CH2-CD1 3.81Å; W843-L853 HydrophobicContact CZ2-CD1 3.67Å; W843-L854 PolarHBondContact NE1-O 2.9Å; W843-W856 AromaticContact CD1-CD1 3.59Å; W843-W856 AromaticContact CD2-CD1 3.85Å; W843-W856 AromaticContact CD2-NE1 3.63Å; W843-W856 AromaticContact CE2-CD1 3.42Å; W843-W856 VanDerWaalsContact CE2-CD1 3.42Å; W843-W856 AromaticContact CE2-NE1 3.22Å; W843-W856 AromaticContact CG-CD1 3.97Å; W843-W856 AromaticContact CH2-NE1 3.84Å; W843-W856 AromaticContact CZ2-CD1 3.94Å; W843-W856 AromaticContact CZ2-NE1 3.33Å; W843-W856 VanDerWaalsContact CZ2-NE1 3.33Å; W843-W856 AromaticContact NE1-CD1 3.23Å; W843-W856 AromaticContact NE1-NE1 3.58Å; W843-D860 HydrophobicContact CB-CB 4.05Å; W843-D860 HydrophobicContact CG-CB 4.46Å |
| 844 | L | 93.7 | Very high | 89 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -62.9 | -44.9 | 176.9 | 178.6 | 66.2 | 0 | 0 | 0 | 110.6 | F765 L772 L786 I790 V809 L841 A846 C847 I848 | F765-L844 HydrophobicContact CE1-CD1 4.07Å; F765-L844 HydrophobicContact CE2-CD1 4.2Å; F765-L844 HydrophobicContact CZ-CD1 3.54Å; L772-L844 HydrophobicContact CD2-CD2 3.91Å; L786-L844 HydrophobicContact CD2-CD2 4.2Å; I790-L844 HydrophobicContact CD1-CD1 4.19Å; I790-L844 HydrophobicContact CD1-CD2 3.95Å; I790-L844 HydrophobicContact CG1-CD1 4.01Å; I790-L844 HydrophobicContact CG1-CD2 4.44Å; V809-L844 HydrophobicContact CG1-CB 4.09Å; V809-L844 HydrophobicContact CG1-CD2 4.09Å; V809-L844 HydrophobicContact CG2-CB 4.44Å; L841-L844 HydrophobicContact CD1-CB 4.4Å; L841-L844 HydrophobicContact CD1-CD2 4.13Å; L841-L844 PolarHBondContact O-N 3.19Å; L841-L844 VanDerWaalsContact O-N 3.14Å; L844-A846 VanDerWaalsContact C-N 3.31Å; L844-A846 PolarHBondContact O-N 3.17Å; L844-C847 PolarHBondContact O-N 3.12Å; L844-I848 HydrophobicContact CD1-CD1 4.38Å; L844-I848 HydrophobicContact CG-CD1 4.04Å; L844-I848 VanDerWaalsContact O-CG1 3.26Å; L844-I848 WeakPolarHBondContact O-CG1 3.47Å; L844-I848 PolarHBondContact O-N 2.97Å |
| 845 | L | 92.3 | Very high | 90.2 | Very high | 53 Ų | 53 | 53.3 Ų | 53.3 | 28% | 0.277 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -61.6 | -38.9 | 175.2 | -65.7 | 175.6 | 0 | 0 | 0 | 111.9 | L786 L841 N842 W843 I848 N849 | L786-L845 HydrophobicContact CD2-CD2 3.89Å; L841-L845 HydrophobicContact CD1-CG 4.34Å; L841-L845 HydrophobicContact CG-CD1 4.12Å; L841-L845 HydrophobicContact CG-CG 4.22Å; L841-L845 WeakPolarHBondContact O-CG 3.47Å; L841-L845 PolarHBondContact O-N 3.38Å; N842-L845 PolarHBondContact O-N 3.41Å; W843-L845 PolarHBondContact O-N 2.98Å; L845-I848 PolarHBondContact O-N 3.03Å; L845-N849 WeakPolarHBondContact O-CB 3.37Å; L845-N849 VanDerWaalsContact O-CG 3.26Å; L845-N849 PolarHBondContact O-N 2.95Å |
| 846 | A | 90.2 | Very high | 90.9 | Very high | 34 Ų | 34 | 48 Ų | 48 | 28% | 0.281 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -65.7 | -40.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | N842 W843 L844 I848 N849 K850 L854 | N842-A846 VanDerWaalsContact O-CB 3.28Å; N842-A846 WeakPolarHBondContact O-CB 3.49Å; N842-A846 PolarHBondContact O-N 3.43Å; W843-A846 PolarHBondContact O-N 3.01Å; L844-A846 VanDerWaalsContact C-N 3.31Å; L844-A846 PolarHBondContact O-N 3.17Å; A846-I848 VanDerWaalsContact C-N 3.35Å; A846-N849 PolarHBondContact O-N 3.1Å; A846-K850 WeakPolarHBondContact O-CB 3.47Å; A846-K850 PolarHBondContact O-N 3.5Å; A846-L854 HydrophobicContact CB-CD1 3.61Å |
| 847 | C | 92.5 | Very high | 90.9 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62.1 | -42.7 | 173.9 | -66.7 | 0 | 0 | 0 | 0 | 111.6 | Y764 F765 W843 L844 K851 S852 L854 | Y764-C847 HydrophobicContact CE2-CB 4.45Å; F765-C847 HydrophobicContact CE1-CB 4.16Å; F765-C847 HydrophobicContact CZ-CB 3.78Å; W843-C847 PolarHBondContact O-N 3.21Å; W843-C847 PolarHBondContact O-SG 3.46Å; L844-C847 PolarHBondContact O-N 3.12Å; C847-K851 WeakPolarHBondContact O-CA 3.43Å; C847-K851 PolarHBondContact O-N 2.97Å; C847-S852 VanDerWaalsContact CA-O 3.29Å; C847-S852 WeakPolarHBondContact CA-O 3.19Å; C847-S852 WeakPolarHBondContact CB-O 3.35Å; C847-S852 PolarHBondContact O-N 2.87Å; C847-L854 PolarHBondContact SG-N 3.47Å; C847-L854 VanDerWaalsContact SG-N 3.39Å |
| 848 | I | 90.6 | Very high | 90.6 | Very high | 28 Ų | 28 | 49.3 Ų | 49.3 | 14% | 0.144 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -63 | -46.1 | 176.6 | -66.1 | 165.4 | 0 | 0 | 0 | 110.6 | F765 L786 I789 L844 L845 A846 K851 | F765-I848 HydrophobicContact CE2-CG1 4.48Å; L786-I848 HydrophobicContact CD2-CD1 3.74Å; I789-I848 HydrophobicContact CB-CD1 4.47Å; I789-I848 HydrophobicContact CD1-CD1 4.48Å; I789-I848 HydrophobicContact CG2-CD1 3.69Å; I789-I848 HydrophobicContact CG2-CG1 3.7Å; I789-I848 HydrophobicContact CG2-CG2 4.16Å; L844-I848 HydrophobicContact CD1-CD1 4.38Å; L844-I848 HydrophobicContact CG-CD1 4.04Å; L844-I848 VanDerWaalsContact O-CG1 3.26Å; L844-I848 WeakPolarHBondContact O-CG1 3.47Å; L844-I848 PolarHBondContact O-N 2.97Å; L845-I848 PolarHBondContact O-N 3.03Å; A846-I848 VanDerWaalsContact C-N 3.35Å; I848-K851 PolarHBondContact O-N 3.26Å |
| 849 | N | 88 | Confident | 90.2 | Very high | 133 Ų | 133 | 55.6 Ų | 55.6 | 71% | 0.711 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -66.8 | -42.3 | -179.3 | -74.4 | -13.9 | 0 | 0 | 0 | 112.8 | L845 A846 K851 | L845-N849 WeakPolarHBondContact O-CB 3.37Å; L845-N849 VanDerWaalsContact O-CG 3.26Å; L845-N849 PolarHBondContact O-N 2.95Å; A846-N849 PolarHBondContact O-N 3.1Å; N849-K851 VanDerWaalsContact C-N 3.28Å; N849-K851 PolarHBondContact O-N 2.85Å |
| 850 | K | 87.5 | Confident | 90.1 | Very high | 150 Ų | 150 | 56.8 Ų | 56.8 | 65% | 0.652 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -82.4 | -1.8 | 177.3 | -73 | -168.6 | 174.6 | -178 | 0 | 113.6 | A846 S852 L854 | A846-K850 WeakPolarHBondContact O-CB 3.47Å; A846-K850 PolarHBondContact O-N 3.5Å; K850-S852 PolarHBondContact O-N 3.33Å; K850-S852 VanDerWaalsContact O-N 3.11Å; K850-S852 PolarHBondContact O-OG 3.44Å; K850-S852 VanDerWaalsContact O-OG 3.07Å; K850-L854 HydrophobicContact CB-CD1 4.48Å; K850-L854 HydrophobicContact CB-CD2 4.11Å; K850-L854 HydrophobicContact CD-CD1 3.89Å; K850-L854 HydrophobicContact CD-CD2 3.6Å; K850-L854 HydrophobicContact CD-CG 4.38Å; K850-L854 HydrophobicContact CG-CD1 4.46Å; K850-L854 HydrophobicContact CG-CD2 4.45Å |
| 851 | K | 88.7 | Confident | 89.9 | Confident | 120 Ų | 120 | 55.5 Ų | 55.5 | 52% | 0.522 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 47.9 | 36.9 | -177.2 | -58.7 | -179.3 | -180 | 178.3 | 0 | 113.2 | Y764 C847 I848 N849 | Y764-K851 WeakPolarHBondContact CD1-O 3.4Å; Y764-K851 HydrophobicContact CE1-CB 4.41Å; C847-K851 WeakPolarHBondContact O-CA 3.43Å; C847-K851 PolarHBondContact O-N 2.97Å; I848-K851 PolarHBondContact O-N 3.26Å; N849-K851 VanDerWaalsContact C-N 3.28Å; N849-K851 PolarHBondContact O-N 2.85Å |
| 852 | S | 90.3 | Very high | 89.6 | Confident | 47 Ų | 47 | 58.1 Ų | 58.1 | 33% | 0.329 | 30% | 0.303 | S | S | . | . | S | Bend | trans | -153.3 | 149.8 | -177.6 | 49.3 | 0 | 0 | 0 | 0 | 109.8 | C847 K850 L854 | C847-S852 VanDerWaalsContact CA-O 3.29Å; C847-S852 WeakPolarHBondContact CA-O 3.19Å; C847-S852 WeakPolarHBondContact CB-O 3.35Å; C847-S852 PolarHBondContact O-N 2.87Å; K850-S852 PolarHBondContact O-N 3.33Å; K850-S852 VanDerWaalsContact O-N 3.11Å; K850-S852 PolarHBondContact O-OG 3.44Å; K850-S852 VanDerWaalsContact O-OG 3.07Å; S852-L854 PolarHBondContact O-N 3.47Å |
| 853 | L | 90.5 | Very high | 89.4 | Confident | 62 Ų | 62 | 53.9 Ų | 53.9 | 33% | 0.325 | 28% | 0.283 | S | S | . | . | trans | -74.5 | 112.8 | 173.8 | -171.3 | 68.4 | 0 | 0 | 0 | 109 | Y764 F765 W843 | Y764-L853 WeakPolarHBondContact O-CB 3.48Å; F765-L853 HydrophobicContact CD1-CD1 3.82Å; F765-L853 HydrophobicContact CE1-CD1 3.76Å; W843-L853 HydrophobicContact CH2-CD1 3.81Å; W843-L853 HydrophobicContact CZ2-CD1 3.67Å | ||
| 854 | L | 89.3 | Confident | 89 | Confident | 40 Ų | 40 | 56 Ų | 56 | 21% | 0.209 | 29% | 0.293 | C | S | . | . | P | Polyproline II helix | trans | -86.8 | 139.7 | -177.9 | -55.2 | 177 | 0 | 0 | 0 | 110.6 | W843 A846 C847 K850 S852 | W843-L854 PolarHBondContact NE1-O 2.9Å; A846-L854 HydrophobicContact CB-CD1 3.61Å; C847-L854 PolarHBondContact SG-N 3.47Å; C847-L854 VanDerWaalsContact SG-N 3.39Å; K850-L854 HydrophobicContact CB-CD1 4.48Å; K850-L854 HydrophobicContact CB-CD2 4.11Å; K850-L854 HydrophobicContact CD-CD1 3.89Å; K850-L854 HydrophobicContact CD-CD2 3.6Å; K850-L854 HydrophobicContact CD-CG 4.38Å; K850-L854 HydrophobicContact CG-CD1 4.46Å; K850-L854 HydrophobicContact CG-CD2 4.45Å; S852-L854 PolarHBondContact O-N 3.47Å |
| 855 | A | 88.6 | Confident | 88.7 | Confident | 84 Ų | 84 | 57.7 Ų | 57.7 | 69% | 0.694 | 30% | 0.302 | S | S | * | . | P | Polyproline II helix | trans | -60.4 | 140.4 | 169.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||
| 856 | W | 91.6 | Very high | 88.2 | Confident | 36 Ų | 36 | 58.2 Ų | 58.2 | 14% | 0.136 | 31% | 0.31 | C | S | . | . | P | Polyproline II helix | trans | -68.2 | 134.1 | 176.6 | -65.1 | -37.5 | 0 | 0 | 0 | 110.9 | F806 C807 N837 V839 W843 M861 V868 M872 | F806-W856 HydrophobicContact CD1-CZ2 4.06Å; F806-W856 HydrophobicContact CD2-CH2 4.1Å; F806-W856 HydrophobicContact CD2-CZ2 4.42Å; F806-W856 HydrophobicContact CE1-CH2 4.08Å; F806-W856 AromaticContact CE1-CZ2 3.46Å; F806-W856 HydrophobicContact CE1-CZ2 3.46Å; F806-W856 VanDerWaalsContact CE1-CZ2 3.46Å; F806-W856 AromaticContact CE2-CH2 3.65Å; F806-W856 HydrophobicContact CE2-CH2 3.65Å; F806-W856 AromaticContact CE2-CZ2 3.89Å; F806-W856 HydrophobicContact CE2-CZ2 3.89Å; F806-W856 HydrophobicContact CE2-CZ3 4.47Å; F806-W856 AromaticContact CZ-CH2 3.64Å; F806-W856 HydrophobicContact CZ-CH2 3.64Å; F806-W856 AromaticContact CZ-CZ2 3.36Å; F806-W856 HydrophobicContact CZ-CZ2 3.36Å; C807-W856 HydrophobicContact CB-CH2 4.18Å; C807-W856 HydrophobicContact CB-CZ2 3.71Å; N837-W856 HydrophobicContact CB-CH2 3.87Å; N837-W856 HydrophobicContact CB-CZ3 4.04Å; V839-W856 HydrophobicContact CG2-CZ2 3.98Å; W843-W856 AromaticContact CD1-CD1 3.59Å; W843-W856 AromaticContact CD2-CD1 3.85Å; W843-W856 AromaticContact CD2-NE1 3.63Å; W843-W856 AromaticContact CE2-CD1 3.42Å; W843-W856 VanDerWaalsContact CE2-CD1 3.42Å; W843-W856 AromaticContact CE2-NE1 3.22Å; W843-W856 AromaticContact CG-CD1 3.97Å; W843-W856 AromaticContact CH2-NE1 3.84Å; W843-W856 AromaticContact CZ2-CD1 3.94Å; W843-W856 AromaticContact CZ2-NE1 3.33Å; W843-W856 VanDerWaalsContact CZ2-NE1 3.33Å; W843-W856 AromaticContact NE1-CD1 3.23Å; W843-W856 AromaticContact NE1-NE1 3.58Å; W856-M861 HydrophobicContact CB-SD 3.92Å; W856-M861 HydrophobicContact CD2-CE 4.19Å; W856-M861 HydrophobicContact CD2-SD 3.88Å; W856-M861 HydrophobicContact CE3-CE 3.91Å; W856-M861 HydrophobicContact CE3-SD 4.21Å; W856-M861 HydrophobicContact CG-SD 3.75Å; W856-M861 HydrophobicContact CZ3-CE 4.37Å; W856-V868 HydrophobicContact CE3-CG1 3.91Å; W856-V868 HydrophobicContact CE3-CG2 4.34Å; W856-V868 HydrophobicContact CZ3-CG1 4.24Å; W856-V868 HydrophobicContact CZ3-CG2 3.89Å; W856-M872 HydrophobicContact CB-CE 3.56Å |
| 857 | K | 86.9 | Confident | 88 | Confident | 54 Ų | 54 | 60.7 Ų | 60.7 | 24% | 0.235 | 33% | 0.326 | C | S | . | . | P | Polyproline II helix | trans | -103.9 | 159.1 | 166.3 | -58.2 | -167.6 | 172.8 | -155 | 0 | 109.7 | K859 D860 E885 | K857-K859 HydrophobicContact CB-CG 4.18Å; K857-K859 PolarHBondContact O-N 2.97Å; K857-K859 VanDerWaalsContact O-N 3.12Å; K857-D860 PolarHBondContact N-OD2 3.35Å; K857-D860 WeakPolarHBondContact O-CB 3.23Å; K857-D860 PolarHBondContact O-N 2.72Å; K857-E885 IonicContact NZ-OE2 3.65Å; K857-E885 PolarHBondContact NZ-OE2 3.42Å |
| 858 | P | 84.1 | Confident | 87.7 | Confident | 33 Ų | 33 | 62 Ų | 62 | 21% | 0.214 | 33% | 0.333 | C | S | . | . | G | 310 helix | trans | -51.3 | -38.4 | 178.6 | -30.2 | 36.1 | 0 | 0 | 0 | 114.1 | D860 M861 M872 Y876 | P858-D860 PolarHBondContact O-N 3.08Å; P858-M861 PolarHBondContact O-N 2.86Å; P858-M872 HydrophobicContact CB-SD 4.18Å; P858-M872 HydrophobicContact CG-SD 3.74Å; P858-Y876 HydrophobicContact CG-CD1 3.91Å; P858-Y876 HydrophobicContact CG-CD2 3.86Å; P858-Y876 HydrophobicContact CG-CE2 4.49Å; P858-Y876 HydrophobicContact CG-CG 3.55Å |
| 859 | K | 84.3 | Confident | 87.4 | Confident | 132 Ų | 132 | 62.6 Ų | 62.6 | 57% | 0.574 | 34% | 0.343 | S | S | * | . | G | 310 helix | trans | -64 | -19.3 | 176.9 | 70.3 | -176.8 | 179.7 | -169.5 | 0 | 115.2 | K857 M861 E891 | K857-K859 HydrophobicContact CB-CG 4.18Å; K857-K859 PolarHBondContact O-N 2.97Å; K857-K859 VanDerWaalsContact O-N 3.12Å; K859-M861 VanDerWaalsContact C-N 3.34Å; K859-E891 IonicContact NZ-OE1 3.05Å; K859-E891 PolarHBondContact NZ-OE1 3.41Å |
| 860 | D | 90.5 | Very high | 87.4 | Confident | 25 Ų | 25 | 58.9 Ų | 58.9 | 13% | 0.134 | 33% | 0.33 | C | S | . | . | G | 310 helix | trans | -85.4 | -8.7 | -179 | -61.1 | -41 | 0 | 0 | 0 | 112.1 | V839 H840 W843 K857 P858 | V839-D860 CarbonylContact C-O 3.49Å; V839-D860 WeakPolarHBondContact CA-O 3.38Å; V839-D860 HydrophobicContact CG1-CB 4.24Å; V839-D860 WeakPolarHBondContact CG1-O 3.29Å; H840-D860 WeakPolarHBondContact CB-O 3.45Å; H840-D860 PolarHBondContact N-O 2.69Å; W843-D860 HydrophobicContact CB-CB 4.05Å; W843-D860 HydrophobicContact CG-CB 4.46Å; K857-D860 PolarHBondContact N-OD2 3.35Å; K857-D860 WeakPolarHBondContact O-CB 3.23Å; K857-D860 PolarHBondContact O-N 2.72Å; P858-D860 PolarHBondContact O-N 3.08Å |
| 861 | M | 89.3 | Confident | 87.3 | Confident | 23 Ų | 23 | 57.7 Ų | 57.7 | 11% | 0.113 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 130.2 | -166.8 | -56.3 | -68.3 | -80.2 | 0 | 0 | 111.9 | N837 V839 W856 P858 K859 M864 V868 M872 | N837-M861 HydrophobicContact CB-CE 3.98Å; V839-M861 HydrophobicContact CB-SD 4.39Å; V839-M861 HydrophobicContact CG1-SD 4.13Å; V839-M861 HydrophobicContact CG2-CE 4.4Å; V839-M861 HydrophobicContact CG2-SD 3.79Å; W856-M861 HydrophobicContact CB-SD 3.92Å; W856-M861 HydrophobicContact CD2-CE 4.19Å; W856-M861 HydrophobicContact CD2-SD 3.88Å; W856-M861 HydrophobicContact CE3-CE 3.91Å; W856-M861 HydrophobicContact CE3-SD 4.21Å; W856-M861 HydrophobicContact CG-SD 3.75Å; W856-M861 HydrophobicContact CZ3-CE 4.37Å; P858-M861 PolarHBondContact O-N 2.86Å; K859-M861 VanDerWaalsContact C-N 3.34Å; M861-M864 HydrophobicContact CB-CE 3.58Å; M861-M864 HydrophobicContact CB-CG 3.94Å; M861-M864 HydrophobicContact CE-CB 4.15Å; M861-M864 HydrophobicContact CE-CG 3.63Å; M861-M864 HydrophobicContact CG-CE 3.72Å; M861-M864 HydrophobicContact CG-CG 4.1Å; M861-M864 HydrophobicContact CG-SD 4.43Å; M861-V868 HydrophobicContact CE-CG1 4.01Å; M861-M872 HydrophobicContact CG-CE 3.54Å; M861-M872 HydrophobicContact CG-SD 4.45Å; M861-M872 HydrophobicContact SD-CE 4.21Å |
| 862 | F | 87.2 | Confident | 87.3 | Confident | 65 Ų | 65 | 52.7 Ų | 52.7 | 29% | 0.285 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | -33.9 | 163.5 | -79.5 | -61.2 | 0 | 0 | 0 | 112 | A810 L813 V838 H840 | A810-F862 HydrophobicContact CB-CD2 4.36Å; A810-F862 HydrophobicContact CB-CE2 4.39Å; A810-F862 WeakPolarHBondContact O-CE2 3.13Å; L813-F862 HydrophobicContact CD1-CD1 3.96Å; L813-F862 HydrophobicContact CD1-CE1 4.46Å; L813-F862 HydrophobicContact CD2-CB 3.97Å; L813-F862 HydrophobicContact CD2-CD1 4.06Å; L813-F862 HydrophobicContact CD2-CG 4.02Å; L813-F862 HydrophobicContact CG-CD1 3.67Å; L813-F862 HydrophobicContact CG-CE1 4.04Å; L813-F862 HydrophobicContact CG-CG 4.13Å; V838-F862 HydrophobicContact CB-CB 4.09Å; V838-F862 HydrophobicContact CG1-CB 3.87Å; V838-F862 HydrophobicContact CG1-CD2 4.29Å; V838-F862 PolarHBondContact O-N 3.13Å; H840-F862 HydrophobicContact CB-CE2 4.28Å; H840-F862 AromaticContact CD2-CE2 3.49Å; H840-F862 VanDerWaalsContact CD2-CE2 3.49Å; H840-F862 WeakPolarHBondContact CD2-CE2 3.49Å; H840-F862 AromaticContact CD2-CZ 3.31Å; H840-F862 WeakPolarHBondContact CD2-CZ 3.4Å; H840-F862 AromaticContact NE2-CZ 3.8Å |
| 863 | A | 87 | Confident | 87 | Confident | 11 Ų | 11 | 53.8 Ų | 53.8 | 9% | 0.091 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.1 | 147.9 | 177 | 0 | 0 | 0 | 0 | 0 | 110.5 | L821 I834 V838 | L821-A863 HydrophobicContact CD1-CB 4.02Å; L821-A863 HydrophobicContact CD2-CB 3.28Å; L821-A863 HydrophobicContact CG-CB 4.29Å; I834-A863 HydrophobicContact CD1-CB 4.43Å; I834-A863 HydrophobicContact CG2-CB 4.32Å; V838-A863 HydrophobicContact CB-CB 4.11Å; V838-A863 HydrophobicContact CG2-CB 4.13Å; V838-A863 PolarHBondContact N-O 2.95Å; V838-A863 PolarHBondContact O-N 3.3Å; V838-A863 VanDerWaalsContact O-N 3.14Å |
| 864 | M | 86.9 | Confident | 86.9 | Confident | 47 Ų | 47 | 58 Ų | 58 | 23% | 0.232 | 33% | 0.334 | C | S | . | . | trans | -124.1 | 142.9 | -177 | -48 | 180 | -169 | 0 | 0 | 109.4 | M861 V868 A869 M872 | M861-M864 HydrophobicContact CB-CE 3.58Å; M861-M864 HydrophobicContact CB-CG 3.94Å; M861-M864 HydrophobicContact CE-CB 4.15Å; M861-M864 HydrophobicContact CE-CG 3.63Å; M861-M864 HydrophobicContact CG-CE 3.72Å; M861-M864 HydrophobicContact CG-CG 4.1Å; M861-M864 HydrophobicContact CG-SD 4.43Å; M864-V868 HydrophobicContact CB-CB 4.47Å; M864-V868 HydrophobicContact CB-CG1 4.36Å; M864-A869 HydrophobicContact CB-CB 4.09Å; M864-A869 HydrophobicContact SD-CB 4.45Å; M864-M872 HydrophobicContact CE-CE 4.02Å; M864-M872 HydrophobicContact CE-SD 3.22Å; M864-M872 WeakPolarHBondContact CE-SD 3.29Å; M864-M872 HydrophobicContact SD-CB 4.33Å; M864-M872 HydrophobicContact SD-CE 4.24Å; M864-M872 HydrophobicContact SD-CG 4.16Å; M864-M872 HydrophobicContact SD-SD 3.52Å | ||
| 865 | N | 87 | Confident | 86.7 | Confident | 35 Ų | 35 | 59.8 Ų | 59.8 | 19% | 0.187 | 34% | 0.341 | C | S | . | . | trans | -70.9 | 164.7 | 165.3 | 77.4 | 24.1 | 0 | 0 | 0 | 110.5 | I834 N837 S867 V868 A869 | I834-N865 WeakPolarHBondContact O-CA 3.25Å; I834-N865 WeakPolarHBondContact O-CB 3.49Å; N837-N865 PolarHBondContact ND2-ND2 2.84Å; N837-N865 PolarHBondContact OD1-N 3.36Å; N865-S867 VanDerWaalsContact C-N 3.29Å; N865-S867 PolarHBondContact O-N 3.36Å; N865-S867 PolarHBondContact OD1-N 2.94Å; N865-V868 PolarHBondContact O-N 2.75Å; N865-V868 WeakPolarHBondContact OD1-CG2 3.34Å; N865-V868 PolarHBondContact OD1-N 3.37Å; N865-A869 WeakPolarHBondContact O-CB 3.48Å; N865-A869 PolarHBondContact O-N 3.39Å | ||
| 866 | S | 80.7 | Confident | 86.7 | Confident | 64 Ų | 64 | 56.8 Ų | 56.8 | 45% | 0.448 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -56.9 | -37.2 | -174.7 | 53.5 | 0 | 0 | 0 | 0 | 114.7 | F833 A870 | F833-S866 WeakPolarHBondContact CD1-OG 2.84Å; F833-S866 VanDerWaalsContact CE1-CB 3.42Å; F833-S866 VanDerWaalsContact CE1-OG 3.27Å; F833-S866 WeakPolarHBondContact CE1-OG 3.32Å; S866-A870 WeakPolarHBondContact O-CB 3.45Å; S866-A870 PolarHBondContact O-N 3.07Å |
| 867 | S | 85.9 | Confident | 86.4 | Confident | 86 Ų | 86 | 57.2 Ų | 57.2 | 60% | 0.601 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -69.3 | -47.1 | -179.6 | -176.8 | 0 | 0 | 0 | 0 | 111.7 | N865 A870 K871 | N865-S867 VanDerWaalsContact C-N 3.29Å; N865-S867 PolarHBondContact O-N 3.36Å; N865-S867 PolarHBondContact OD1-N 2.94Å; S867-A870 PolarHBondContact O-N 2.91Å; S867-K871 PolarHBondContact O-N 3.49Å |
| 868 | V | 86.7 | Confident | 86.2 | Confident | 27 Ų | 27 | 62.2 Ų | 62.2 | 16% | 0.164 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -67.3 | -40.1 | 178.4 | 175.4 | 0 | 0 | 0 | 0 | 110.9 | W856 M861 M864 N865 A870 K871 M872 | W856-V868 HydrophobicContact CE3-CG1 3.91Å; W856-V868 HydrophobicContact CE3-CG2 4.34Å; W856-V868 HydrophobicContact CZ3-CG1 4.24Å; W856-V868 HydrophobicContact CZ3-CG2 3.89Å; M861-V868 HydrophobicContact CE-CG1 4.01Å; M864-V868 HydrophobicContact CB-CB 4.47Å; M864-V868 HydrophobicContact CB-CG1 4.36Å; N865-V868 PolarHBondContact O-N 2.75Å; N865-V868 WeakPolarHBondContact OD1-CG2 3.34Å; N865-V868 PolarHBondContact OD1-N 3.37Å; V868-A870 PolarHBondContact O-N 3.36Å; V868-K871 PolarHBondContact O-N 3.26Å; V868-M872 HydrophobicContact CG1-CE 4.39Å; V868-M872 PolarHBondContact O-N 3.49Å |
| 869 | A | 85 | Confident | 86 | Confident | 41 Ų | 41 | 63.3 Ų | 63.3 | 34% | 0.339 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -60.6 | -43.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112 | M864 N865 M872 A873 | M864-A869 HydrophobicContact CB-CB 4.09Å; M864-A869 HydrophobicContact SD-CB 4.45Å; N865-A869 WeakPolarHBondContact O-CB 3.48Å; N865-A869 PolarHBondContact O-N 3.39Å; A869-M872 PolarHBondContact O-N 2.98Å; A869-A873 WeakPolarHBondContact O-CB 3.39Å; A869-A873 PolarHBondContact O-N 3.01Å |
| 870 | A | 86.6 | Confident | 85.8 | Confident | 54 Ų | 54 | 58.2 Ų | 58.2 | 45% | 0.446 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -65 | -39.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | S866 S867 V868 Q874 | S866-A870 WeakPolarHBondContact O-CB 3.45Å; S866-A870 PolarHBondContact O-N 3.07Å; S867-A870 PolarHBondContact O-N 2.91Å; V868-A870 PolarHBondContact O-N 3.36Å; A870-Q874 WeakPolarHBondContact O-CG 3.33Å |
| 871 | K | 86.7 | Confident | 85.5 | Confident | 125 Ų | 125 | 59.5 Ų | 59.5 | 54% | 0.543 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -67.8 | -45.1 | 175.5 | -168.9 | 178.3 | 176.8 | -175.5 | 0 | 111.8 | S867 V868 A873 Q874 E875 | S867-K871 PolarHBondContact O-N 3.49Å; V868-K871 PolarHBondContact O-N 3.26Å; K871-A873 VanDerWaalsContact C-N 3.3Å; K871-A873 PolarHBondContact O-N 3.04Å; K871-Q874 WeakPolarHBondContact O-CB 3.44Å; K871-Q874 PolarHBondContact O-N 3.03Å; K871-Q874 VanDerWaalsContact O-N 3.08Å; K871-E875 WeakPolarHBondContact CE-OE1 3.41Å; K871-E875 PolarHBondContact O-N 3.42Å |
| 872 | M | 87.5 | Confident | 85.3 | Confident | 15 Ų | 15 | 59.1 Ų | 59.1 | 7% | 0.074 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -60.9 | -38.8 | 176.5 | -81.2 | -152.1 | -171.1 | 0 | 0 | 112.3 | W856 P858 M861 M864 V868 A869 Q874 E875 Y876 | W856-M872 HydrophobicContact CB-CE 3.56Å; P858-M872 HydrophobicContact CB-SD 4.18Å; P858-M872 HydrophobicContact CG-SD 3.74Å; M861-M872 HydrophobicContact CG-CE 3.54Å; M861-M872 HydrophobicContact CG-SD 4.45Å; M861-M872 HydrophobicContact SD-CE 4.21Å; M864-M872 HydrophobicContact CE-CE 4.02Å; M864-M872 HydrophobicContact CE-SD 3.22Å; M864-M872 WeakPolarHBondContact CE-SD 3.29Å; M864-M872 HydrophobicContact SD-CB 4.33Å; M864-M872 HydrophobicContact SD-CE 4.24Å; M864-M872 HydrophobicContact SD-CG 4.16Å; M864-M872 HydrophobicContact SD-SD 3.52Å; V868-M872 HydrophobicContact CG1-CE 4.39Å; V868-M872 PolarHBondContact O-N 3.49Å; A869-M872 PolarHBondContact O-N 2.98Å; M872-Q874 PolarHBondContact O-N 3.22Å; M872-E875 PolarHBondContact O-N 3.45Å; M872-E875 VanDerWaalsContact O-N 3.13Å; M872-Y876 HydrophobicContact CB-CD2 4.48Å; M872-Y876 HydrophobicContact CG-CD2 4.49Å; M872-Y876 PolarHBondContact O-N 3.06Å |
| 873 | A | 85.2 | Confident | 85.3 | Confident | 71 Ų | 71 | 63.5 Ų | 63.5 | 59% | 0.587 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -65.8 | -15.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | A869 K871 | A869-A873 WeakPolarHBondContact O-CB 3.39Å; A869-A873 PolarHBondContact O-N 3.01Å; K871-A873 VanDerWaalsContact C-N 3.3Å; K871-A873 PolarHBondContact O-N 3.04Å |
| 874 | Q | 87.4 | Confident | 85.2 | Confident | 150 Ų | 150 | 67.7 Ų | 67.7 | 70% | 0.701 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -89.7 | -25.5 | 173.9 | -67.6 | 175.1 | 11.1 | 0 | 0 | 112.8 | A870 K871 M872 Y883 | A870-Q874 WeakPolarHBondContact O-CG 3.33Å; K871-Q874 WeakPolarHBondContact O-CB 3.44Å; K871-Q874 PolarHBondContact O-N 3.03Å; K871-Q874 VanDerWaalsContact O-N 3.08Å; M872-Q874 PolarHBondContact O-N 3.22Å; Q874-Y883 WeakPolarHBondContact O-CD2 3.48Å |
| 875 | E | 85.8 | Confident | 85 | Confident | 77 Ų | 77 | 70.2 Ų | 70.2 | 36% | 0.36 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -104.1 | -22 | -172.8 | -67.8 | 177.1 | -172.2 | 0 | 0 | 112.8 | K871 M872 S882 Y883 | K871-E875 WeakPolarHBondContact CE-OE1 3.41Å; K871-E875 PolarHBondContact O-N 3.42Å; M872-E875 PolarHBondContact O-N 3.45Å; M872-E875 VanDerWaalsContact O-N 3.13Å; E875-S882 WeakPolarHBondContact O-CA 3.31Å; E875-Y883 VanDerWaalsContact C-CD2 3.46Å; E875-Y883 WeakPolarHBondContact O-CD2 3.36Å; E875-Y883 PolarHBondContact O-N 2.72Å |
| 876 | Y | 88.2 | Confident | 84.8 | Confident | 21 Ų | 21 | 74.4 Ų | 74.4 | 8% | 0.082 | 42% | 0.416 | C | S | . | . | B | Isolated β-bridge | trans | -130.7 | 147.7 | -176.9 | -59.4 | -89.5 | 0 | 0 | 0 | 112.1 | P858 M872 G880 D881 Y883 | P858-Y876 HydrophobicContact CG-CD1 3.91Å; P858-Y876 HydrophobicContact CG-CD2 3.86Å; P858-Y876 HydrophobicContact CG-CE2 4.49Å; P858-Y876 HydrophobicContact CG-CG 3.55Å; M872-Y876 HydrophobicContact CB-CD2 4.48Å; M872-Y876 HydrophobicContact CG-CD2 4.49Å; M872-Y876 PolarHBondContact O-N 3.06Å; Y876-G880 WeakPolarHBondContact CD1-O 3.17Å; Y876-D881 CarbonylContact C-O 3.55Å; Y876-D881 WeakPolarHBondContact CA-O 3.49Å; Y876-Y883 WeakPolarHBondContact O-CE2 3.48Å |
| 877 | D | 86.4 | Confident | 85 | Confident | 46 Ų | 46 | 74.2 Ų | 74.2 | 25% | 0.246 | 41% | 0.41 | C | S | . | . | trans | -75.5 | 177.8 | 170.5 | 87.4 | -8.1 | 0 | 0 | 0 | 112.3 | F879 G880 D881 Y883 | D877-F879 PolarHBondContact O-N 3Å; D877-F879 VanDerWaalsContact O-N 3.16Å; D877-F879 WeakPolarHBondContact OD1-CA 3.38Å; D877-F879 PolarHBondContact OD1-N 3.31Å; D877-G880 PolarHBondContact O-N 3.48Å; D877-G880 VanDerWaalsContact O-N 3.1Å; D877-G880 PolarHBondContact OD1-N 3.14Å; D877-D881 PolarHBondContact N-O 2.93Å; D877-D881 PolarHBondContact OD1-N 3.49Å; D877-Y883 WeakPolarHBondContact CA-OH 3.43Å; D877-Y883 HydrophobicContact CB-CE1 3.79Å | ||
| 878 | K | 81.4 | Confident | 84.8 | Confident | 159 Ų | 159 | 73.6 Ų | 73.6 | 69% | 0.691 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -14.7 | -179 | 66.2 | 179.8 | 180 | 170.4 | 0 | 114.6 | ||
| 879 | F | 81.3 | Confident | 84.6 | Confident | 56 Ų | 56 | 76.2 Ų | 76.2 | 25% | 0.246 | 42% | 0.422 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103 | -0.6 | 178 | -56.9 | -63.2 | 0 | 0 | 0 | 112.3 | D877 I895 I899 Y902 | D877-F879 PolarHBondContact O-N 3Å; D877-F879 VanDerWaalsContact O-N 3.16Å; D877-F879 WeakPolarHBondContact OD1-CA 3.38Å; D877-F879 PolarHBondContact OD1-N 3.31Å; F879-I895 HydrophobicContact CB-CG2 3.98Å; F879-I899 HydrophobicContact CD1-CD1 4.42Å; F879-I899 HydrophobicContact CD1-CG1 3.63Å; F879-I899 HydrophobicContact CD2-CD1 4.12Å; F879-I899 HydrophobicContact CD2-CG1 4.18Å; F879-I899 HydrophobicContact CE1-CG1 3.64Å; F879-I899 HydrophobicContact CE2-CD1 4.16Å; F879-I899 HydrophobicContact CE2-CG1 4.15Å; F879-I899 HydrophobicContact CG-CD1 4.21Å; F879-I899 HydrophobicContact CG-CG1 3.9Å; F879-I899 HydrophobicContact CZ-CD1 4.35Å; F879-I899 HydrophobicContact CZ-CG1 3.87Å; F879-Y902 HydrophobicContact CE1-CG 4.31Å |
| 880 | G | 78.9 | Confident | 84.3 | Confident | 25 Ų | 25 | 79.5 Ų | 79.5 | 26% | 0.258 | 43% | 0.433 | S | S | . | . | S | Bend | trans | 89 | 11.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y876 D877 | Y876-G880 WeakPolarHBondContact CD1-O 3.17Å; D877-G880 PolarHBondContact O-N 3.48Å; D877-G880 VanDerWaalsContact O-N 3.1Å; D877-G880 PolarHBondContact OD1-N 3.14Å |
| 881 | D | 83.8 | Confident | 83.8 | Confident | 52 Ų | 52 | 79.6 Ų | 79.6 | 28% | 0.278 | 43% | 0.425 | S | S | . | . | trans | -75.4 | 140.9 | 171.6 | -168.9 | 20 | 0 | 0 | 0 | 110.6 | Y876 D877 I895 | Y876-D881 CarbonylContact C-O 3.55Å; Y876-D881 WeakPolarHBondContact CA-O 3.49Å; D877-D881 PolarHBondContact N-O 2.93Å; D877-D881 PolarHBondContact OD1-N 3.49Å; D881-I895 HydrophobicContact CB-CD1 3.76Å | ||
| 882 | S | 85.3 | Confident | 83.7 | Confident | 15 Ų | 15 | 77 Ų | 77 | 11% | 0.105 | 42% | 0.416 | C | S | . | . | B | Isolated β-bridge | trans | -82.3 | 136.8 | -179.9 | -177.2 | 0 | 0 | 0 | 0 | 110.9 | E875 S884 E885 | E875-S882 WeakPolarHBondContact O-CA 3.31Å; S882-S884 PolarHBondContact O-N 2.69Å; S882-S884 PolarHBondContact OG-N 3.32Å; S882-S884 PolarHBondContact OG-OG 3.18Å; S882-E885 PolarHBondContact OG-N 3.4Å; S882-E885 VanDerWaalsContact OG-N 3.16Å |
| 883 | Y | 87.4 | Confident | 83.5 | Confident | 157 Ų | 157 | 82.1 Ų | 82.1 | 62% | 0.616 | 44% | 0.438 | S | S | * | . | S | Bend | trans | -69.9 | -12.5 | 171.9 | -63.5 | -54.2 | 0 | 0 | 0 | 113.9 | Q874 E875 Y876 D877 | Q874-Y883 WeakPolarHBondContact O-CD2 3.48Å; E875-Y883 VanDerWaalsContact C-CD2 3.46Å; E875-Y883 WeakPolarHBondContact O-CD2 3.36Å; E875-Y883 PolarHBondContact O-N 2.72Å; Y876-Y883 WeakPolarHBondContact O-CE2 3.48Å; D877-Y883 WeakPolarHBondContact CA-OH 3.43Å; D877-Y883 HydrophobicContact CB-CE1 3.79Å |
| 884 | S | 85.1 | Confident | 83.1 | Confident | 99 Ų | 99 | 83.7 Ų | 83.7 | 69% | 0.692 | 44% | 0.436 | S | S | * | . | S | Bend | trans | -127.3 | -23.8 | -171.9 | 55.9 | 0 | 0 | 0 | 0 | 115.4 | S882 | S882-S884 PolarHBondContact O-N 2.69Å; S882-S884 PolarHBondContact OG-N 3.32Å; S882-S884 PolarHBondContact OG-OG 3.18Å |
| 885 | E | 81.8 | Confident | 82.7 | Confident | 99 Ų | 99 | 77.8 Ų | 77.8 | 46% | 0.463 | 41% | 0.409 | S | S | . | . | S | Bend | trans | -95.1 | 133.9 | 179.3 | -63.1 | -165.6 | 155 | 0 | 0 | 111.2 | K857 S882 I887 | K857-E885 IonicContact NZ-OE2 3.65Å; K857-E885 PolarHBondContact NZ-OE2 3.42Å; S882-E885 PolarHBondContact OG-N 3.4Å; S882-E885 VanDerWaalsContact OG-N 3.16Å; E885-I887 PolarHBondContact O-N 3.41Å |
| 886 | P | 83.6 | Confident | 82.5 | Confident | 123 Ų | 123 | 79.9 Ų | 79.9 | 80% | 0.799 | 42% | 0.418 | S | S | * | . | P | Polyproline II helix | trans | -65.4 | 127.5 | 174.4 | 24.7 | -30.6 | 0 | 0 | 0 | 110.9 | ||
| 887 | I | 84.5 | Confident | 81.9 | Confident | 61 Ų | 61 | 83.8 Ų | 83.8 | 31% | 0.313 | 44% | 0.44 | S | S | . | . | P | Polyproline II helix | trans | -73.7 | 139.1 | 179.3 | -164.6 | 166.6 | 0 | 0 | 0 | 112.1 | E885 E891 L892 I895 | E885-I887 PolarHBondContact O-N 3.41Å; I887-E891 HydrophobicContact CD1-CB 4.22Å; I887-E891 HydrophobicContact CG1-CB 3.69Å; I887-L892 HydrophobicContact CD1-CB 3.92Å; I887-L892 HydrophobicContact CD1-CD1 3.83Å; I887-L892 HydrophobicContact CG1-CB 4.22Å; I887-L892 HydrophobicContact CG2-CD1 4.39Å; I887-I895 HydrophobicContact CD1-CD1 3.5Å; I887-I895 HydrophobicContact CD1-CG1 4.48Å |
| 888 | T | 82.2 | Confident | 81 | Confident | 73 Ų | 73 | 86.7 Ų | 86.7 | 45% | 0.448 | 46% | 0.455 | S | S | . | . | P | Polyproline II helix | trans | -84.8 | 157.4 | 172.8 | 61.5 | 0 | 0 | 0 | 0 | 111.8 | D890 E891 L892 | T888-D890 PolarHBondContact O-N 3.34Å; T888-D890 VanDerWaalsContact O-N 3.15Å; T888-E891 PolarHBondContact N-OE2 3.1Å; T888-E891 PolarHBondContact O-N 2.94Å; T888-E891 WeakPolarHBondContact OG1-CB 3.43Å; T888-E891 VanDerWaalsContact OG1-CG 3.26Å; T888-E891 WeakPolarHBondContact OG1-CG 3.41Å; T888-E891 PolarHBondContact OG1-N 2.93Å; T888-E891 PolarHBondContact OG1-OE2 3.48Å; T888-L892 PolarHBondContact O-N 2.88Å |
| 889 | S | 81.7 | Confident | 80.6 | Confident | 82 Ų | 82 | 81.3 Ų | 81.3 | 57% | 0.573 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -54.8 | -34 | 177.3 | 171.4 | 0 | 0 | 0 | 0 | 113.1 | K893 | S889-K893 WeakPolarHBondContact O-CG 3.43Å; S889-K893 PolarHBondContact O-N 3.34Å |
| 890 | D | 79 | Confident | 79.5 | Confident | 109 Ų | 109 | 82.3 Ų | 82.3 | 58% | 0.583 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -79 | -37.3 | -179 | -64.9 | -34 | 0 | 0 | 0 | 111.9 | T888 L892 K893 L894 | T888-D890 PolarHBondContact O-N 3.34Å; T888-D890 VanDerWaalsContact O-N 3.15Å; D890-L892 VanDerWaalsContact C-N 3.34Å; D890-K893 PolarHBondContact O-N 2.81Å; D890-L894 PolarHBondContact O-N 3.34Å |
| 891 | E | 77.6 | Confident | 78.1 | Confident | 56 Ų | 56 | 84.7 Ų | 84.7 | 26% | 0.262 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -64.2 | -40 | 172.4 | -74.1 | 170.9 | 144.2 | 0 | 0 | 111.3 | K859 I887 T888 K893 L894 I895 | K859-E891 IonicContact NZ-OE1 3.05Å; K859-E891 PolarHBondContact NZ-OE1 3.41Å; I887-E891 HydrophobicContact CD1-CB 4.22Å; I887-E891 HydrophobicContact CG1-CB 3.69Å; T888-E891 PolarHBondContact N-OE2 3.1Å; T888-E891 PolarHBondContact O-N 2.94Å; T888-E891 WeakPolarHBondContact OG1-CB 3.43Å; T888-E891 VanDerWaalsContact OG1-CG 3.26Å; T888-E891 WeakPolarHBondContact OG1-CG 3.41Å; T888-E891 PolarHBondContact OG1-N 2.93Å; T888-E891 PolarHBondContact OG1-OE2 3.48Å; E891-K893 VanDerWaalsContact C-N 3.34Å; E891-K893 PolarHBondContact O-N 2.85Å; E891-L894 PolarHBondContact O-N 3.05Å; E891-I895 WeakPolarHBondContact O-CG1 3.08Å; E891-I895 PolarHBondContact O-N 2.84Å |
| 892 | L | 83.1 | Confident | 76.3 | Confident | 70 Ų | 70 | 87.7 Ų | 87.7 | 37% | 0.366 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -63.3 | -38.3 | 177 | -170.6 | 70 | 0 | 0 | 0 | 112.3 | I887 T888 D890 I895 F896 | I887-L892 HydrophobicContact CD1-CB 3.92Å; I887-L892 HydrophobicContact CD1-CD1 3.83Å; I887-L892 HydrophobicContact CG1-CB 4.22Å; I887-L892 HydrophobicContact CG2-CD1 4.39Å; T888-L892 PolarHBondContact O-N 2.88Å; D890-L892 VanDerWaalsContact C-N 3.34Å; L892-I895 PolarHBondContact O-N 2.91Å; L892-F896 HydrophobicContact CD1-CE2 4.13Å; L892-F896 HydrophobicContact CD1-CZ 4.43Å; L892-F896 HydrophobicContact CD2-CE2 4.03Å; L892-F896 HydrophobicContact CG-CD2 4.11Å; L892-F896 HydrophobicContact CG-CE2 3.73Å; L892-F896 HydrophobicContact CG-CZ 4.49Å; L892-F896 WeakPolarHBondContact O-CD2 3.26Å; L892-F896 PolarHBondContact O-N 3.44Å |
| 893 | K | 83.3 | Confident | 74.2 | Confident | 123 Ų | 123 | 94.2 Ų | 94.2 | 54% | 0.535 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64 | -40.5 | 174.7 | -76.6 | 174.1 | -174.2 | 167.4 | 0 | 112.4 | S889 D890 E891 F896 N897 | S889-K893 WeakPolarHBondContact O-CG 3.43Å; S889-K893 PolarHBondContact O-N 3.34Å; D890-K893 PolarHBondContact O-N 2.81Å; E891-K893 VanDerWaalsContact C-N 3.34Å; E891-K893 PolarHBondContact O-N 2.85Å; K893-F896 PolarHBondContact O-N 3.27Å; K893-N897 PolarHBondContact O-N 2.73Å; K893-N897 VanDerWaalsContact O-N 3.1Å |
| 894 | L | 77.1 | Confident | 71.9 | Confident | 104 Ų | 104 | 91.5 Ų | 91.5 | 55% | 0.545 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.2 | -45.5 | 176.9 | -72.8 | 168.2 | 0 | 0 | 0 | 110.9 | D890 E891 F896 N897 D898 | D890-L894 PolarHBondContact O-N 3.34Å; E891-L894 PolarHBondContact O-N 3.05Å; L894-F896 VanDerWaalsContact C-N 3.32Å; L894-F896 PolarHBondContact O-N 2.98Å; L894-N897 PolarHBondContact O-N 3.27Å; L894-D898 PolarHBondContact O-N 3.33Å; L894-D898 VanDerWaalsContact O-N 3.14Å |
| 895 | I | 80.3 | Confident | 69.6 | Low | 26 Ų | 26 | 92.7 Ų | 92.7 | 13% | 0.133 | 50% | 0.498 | C | S | . | . | H | α-helix | trans | -59.6 | -42.5 | 176.3 | -67.4 | -176.6 | 0 | 0 | 0 | 111.2 | F879 D881 I887 E891 L892 N897 D898 I899 | F879-I895 HydrophobicContact CB-CG2 3.98Å; D881-I895 HydrophobicContact CB-CD1 3.76Å; I887-I895 HydrophobicContact CD1-CD1 3.5Å; I887-I895 HydrophobicContact CD1-CG1 4.48Å; E891-I895 WeakPolarHBondContact O-CG1 3.08Å; E891-I895 PolarHBondContact O-N 2.84Å; L892-I895 PolarHBondContact O-N 2.91Å; I895-N897 PolarHBondContact O-N 3.41Å; I895-D898 PolarHBondContact O-N 3.28Å; I895-I899 HydrophobicContact CG2-CD1 3.7Å; I895-I899 HydrophobicContact CG2-CG1 4.27Å; I895-I899 VanDerWaalsContact O-CG1 3.28Å; I895-I899 WeakPolarHBondContact O-CG1 3.36Å; I895-I899 PolarHBondContact O-N 3.45Å |
| 896 | F | 80.6 | Confident | 67.7 | Low | 122 Ų | 122 | 90.3 Ų | 90.3 | 54% | 0.535 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64.7 | -36.2 | 177.4 | -79.6 | -46.5 | 0 | 0 | 0 | 113.9 | L892 K893 L894 D898 I899 S900 | L892-F896 HydrophobicContact CD1-CE2 4.13Å; L892-F896 HydrophobicContact CD1-CZ 4.43Å; L892-F896 HydrophobicContact CD2-CE2 4.03Å; L892-F896 HydrophobicContact CG-CD2 4.11Å; L892-F896 HydrophobicContact CG-CE2 3.73Å; L892-F896 HydrophobicContact CG-CZ 4.49Å; L892-F896 WeakPolarHBondContact O-CD2 3.26Å; L892-F896 PolarHBondContact O-N 3.44Å; K893-F896 PolarHBondContact O-N 3.27Å; L894-F896 VanDerWaalsContact C-N 3.32Å; L894-F896 PolarHBondContact O-N 2.98Å; F896-D898 VanDerWaalsContact C-N 3.32Å; F896-D898 PolarHBondContact O-N 3.3Å; F896-I899 HydrophobicContact CD1-CD1 4.17Å; F896-I899 PolarHBondContact O-N 3Å; F896-S900 PolarHBondContact O-N 3.01Å |
| 897 | N | 75.1 | Confident | 65.4 | Low | 102 Ų | 102 | 93.2 Ų | 93.2 | 55% | 0.545 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.1 | -41.2 | 174.4 | -73.2 | -18.4 | 0 | 0 | 0 | 111.1 | K893 L894 I895 S900 C901 | K893-N897 PolarHBondContact O-N 2.73Å; K893-N897 VanDerWaalsContact O-N 3.1Å; L894-N897 PolarHBondContact O-N 3.27Å; I895-N897 PolarHBondContact O-N 3.41Å; N897-S900 PolarHBondContact O-N 3.33Å; N897-S900 PolarHBondContact O-OG 3.46Å; N897-C901 PolarHBondContact O-N 3.27Å |
| 898 | D | 67.4 | Low | 63.2 | Low | 107 Ų | 107 | 99.6 Ų | 99.6 | 57% | 0.572 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -70.4 | -36.3 | 178.4 | -71.8 | -16.7 | 0 | 0 | 0 | 112.5 | L894 I895 F896 S900 C901 Y902 | L894-D898 PolarHBondContact O-N 3.33Å; L894-D898 VanDerWaalsContact O-N 3.14Å; I895-D898 PolarHBondContact O-N 3.28Å; F896-D898 VanDerWaalsContact C-N 3.32Å; F896-D898 PolarHBondContact O-N 3.3Å; D898-S900 VanDerWaalsContact C-N 3.32Å; D898-S900 PolarHBondContact O-N 3.01Å; D898-C901 PolarHBondContact O-N 3.12Å; D898-Y902 PolarHBondContact O-N 3.33Å |
| 899 | I | 73.1 | Confident | 60.7 | Low | 46 Ų | 46 | 103 Ų | 103 | 24% | 0.236 | 53% | 0.53 | C | S | . | . | H | α-helix | trans | -61.9 | -41 | 173.5 | -68.5 | 167.9 | 0 | 0 | 0 | 110.8 | F879 I895 F896 C901 Y902 | F879-I899 HydrophobicContact CD1-CD1 4.42Å; F879-I899 HydrophobicContact CD1-CG1 3.63Å; F879-I899 HydrophobicContact CD2-CD1 4.12Å; F879-I899 HydrophobicContact CD2-CG1 4.18Å; F879-I899 HydrophobicContact CE1-CG1 3.64Å; F879-I899 HydrophobicContact CE2-CD1 4.16Å; F879-I899 HydrophobicContact CE2-CG1 4.15Å; F879-I899 HydrophobicContact CG-CD1 4.21Å; F879-I899 HydrophobicContact CG-CG1 3.9Å; F879-I899 HydrophobicContact CZ-CD1 4.35Å; F879-I899 HydrophobicContact CZ-CG1 3.87Å; I895-I899 HydrophobicContact CG2-CD1 3.7Å; I895-I899 HydrophobicContact CG2-CG1 4.27Å; I895-I899 VanDerWaalsContact O-CG1 3.28Å; I895-I899 WeakPolarHBondContact O-CG1 3.36Å; I895-I899 PolarHBondContact O-N 3.45Å; F896-I899 HydrophobicContact CD1-CD1 4.17Å; F896-I899 PolarHBondContact O-N 3Å; I899-C901 PolarHBondContact O-N 3.21Å; I899-Y902 VanDerWaalsContact O-CB 3.3Å; I899-Y902 WeakPolarHBondContact O-CB 3.21Å; I899-Y902 PolarHBondContact O-N 2.93Å |
| 900 | S | 58.9 | Low | 58.2 | Low | 78 Ų | 78 | 110.1 Ų | 110.1 | 55% | 0.545 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -64.5 | -23.9 | 179.9 | 74.2 | 0 | 0 | 0 | 0 | 113.4 | F896 N897 D898 | F896-S900 PolarHBondContact O-N 3.01Å; N897-S900 PolarHBondContact O-N 3.33Å; N897-S900 PolarHBondContact O-OG 3.46Å; D898-S900 VanDerWaalsContact C-N 3.32Å; D898-S900 PolarHBondContact O-N 3.01Å |
| 901 | C | 49 | Very low | 55.9 | Low | 74 Ų | 74 | 108.5 Ų | 108.5 | 50% | 0.5 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -83.6 | -15 | 171 | -71.5 | 0 | 0 | 0 | 0 | 113.3 | N897 D898 I899 S904 I905 | N897-C901 PolarHBondContact O-N 3.27Å; D898-C901 PolarHBondContact O-N 3.12Å; I899-C901 PolarHBondContact O-N 3.21Å; C901-S904 PolarHBondContact O-OG 3.36Å; C901-S904 VanDerWaalsContact O-OG 3.09Å; C901-I905 WeakPolarHBondContact O-CD1 3.32Å |
| 902 | Y | 45.3 | Very low | 53.5 | Low | 116 Ų | 116 | 113.5 Ų | 113.5 | 46% | 0.455 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -81.3 | -29.3 | -176.2 | -146.1 | -92.3 | 0 | 0 | 0 | 112.9 | F879 D898 I899 S904 I905 T906 | F879-Y902 HydrophobicContact CE1-CG 4.31Å; D898-Y902 PolarHBondContact O-N 3.33Å; I899-Y902 VanDerWaalsContact O-CB 3.3Å; I899-Y902 WeakPolarHBondContact O-CB 3.21Å; I899-Y902 PolarHBondContact O-N 2.93Å; Y902-S904 VanDerWaalsContact C-N 3.32Å; Y902-S904 PolarHBondContact O-N 3.4Å; Y902-I905 PolarHBondContact O-N 3.1Å; Y902-T906 HydrophobicContact CD1-CG2 3.61Å; Y902-T906 HydrophobicContact CE1-CG2 3.47Å; Y902-T906 VanDerWaalsContact CE1-CG2 3.47Å; Y902-T906 PolarHBondContact O-N 3.45Å; Y902-T906 PolarHBondContact O-OG1 3.09Å |
| 903 | E | 42.1 | Very low | 50.8 | Low | 151 Ų | 151 | 114.7 Ų | 114.7 | 71% | 0.706 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71 | -24.5 | 179.2 | -75 | -174.1 | 158 | 0 | 0 | 113 | I905 | E903-I905 VanDerWaalsContact C-N 3.33Å; E903-I905 PolarHBondContact O-N 3.44Å |
| 904 | S | 38.5 | Very low | 48.2 | Very low | 101 Ų | 101 | 117.5 Ų | 117.5 | 71% | 0.706 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.9 | -10.1 | 175.9 | 50.6 | 0 | 0 | 0 | 0 | 114.3 | C901 Y902 | C901-S904 PolarHBondContact O-OG 3.36Å; C901-S904 VanDerWaalsContact O-OG 3.09Å; Y902-S904 VanDerWaalsContact C-N 3.32Å; Y902-S904 PolarHBondContact O-N 3.4Å |
| 905 | I | 37.6 | Very low | 45.6 | Very low | 123 Ų | 123 | 121.4 Ų | 121.4 | 63% | 0.631 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.8 | -15.1 | -174.5 | -58.8 | 172.4 | 0 | 0 | 0 | 111.8 | C901 Y902 E903 | C901-I905 WeakPolarHBondContact O-CD1 3.32Å; Y902-I905 PolarHBondContact O-N 3.1Å; E903-I905 VanDerWaalsContact C-N 3.33Å; E903-I905 PolarHBondContact O-N 3.44Å |
| 906 | T | 41.3 | Very low | 43.1 | Very low | 49 Ų | 49 | 125.6 Ų | 125.6 | 30% | 0.301 | 65% | 0.654 | S | S | . | * | S | Bend | trans | -99.7 | 0.6 | -167.3 | 42.4 | 0 | 0 | 0 | 0 | 116.3 | Y902 K909 | Y902-T906 HydrophobicContact CD1-CG2 3.61Å; Y902-T906 HydrophobicContact CE1-CG2 3.47Å; Y902-T906 VanDerWaalsContact CE1-CG2 3.47Å; Y902-T906 PolarHBondContact O-N 3.45Å; Y902-T906 PolarHBondContact O-OG1 3.09Å; T906-K909 WeakPolarHBondContact O-CG 3.45Å |
| 907 | E | 35.8 | Very low | 40.5 | Very low | 184 Ų | 184 | 124.7 Ų | 124.7 | 86% | 0.86 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -88.8 | -16.5 | 172.1 | -71 | -165.6 | 152 | 0 | 0 | 114.2 | K909 | E907-K909 PolarHBondContact O-N 2.78Š|
| 908 | E | 37.4 | Very low | 38.1 | Very low | 196 Ų | 196 | 125.1 Ų | 125.1 | 92% | 0.916 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -81.4 | 56.3 | 165.2 | -72.3 | -170.1 | 158.7 | 0 | 0 | 111 | ||
| 909 | K | 29.5 | Very low | 36.3 | Very low | 144 Ų | 144 | 129.6 Ų | 129.6 | 63% | 0.626 | 68% | 0.681 | S | S | * | * | trans | -76.2 | 135.2 | 171.9 | -93.6 | 170.4 | -173.9 | 164 | 0 | 110.8 | T906 E907 | T906-K909 WeakPolarHBondContact O-CG 3.45Å; E907-K909 PolarHBondContact O-N 2.78Å | ||
| 910 | R | 30.6 | Very low | 34.3 | Very low | 232 Ų | 232 | 132.5 Ų | 132.5 | 88% | 0.875 | 70% | 0.697 | S | S | * | * | trans | 61.5 | 78.3 | 137.6 | -63.4 | 175.8 | 174.7 | 173.3 | -3.2 | 115.1 | ||||
| 911 | G | 29.7 | Very low | 33.1 | Very low | 75 Ų | 75 | 131.6 Ų | 131.6 | 77% | 0.773 | 69% | 0.69 | S | S | * | * | trans | -153.1 | 116.7 | 167.1 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 912 | I | 27.5 | Very low | 32.4 | Very low | 161 Ų | 161 | 133.5 Ų | 133.5 | 83% | 0.826 | 69% | 0.692 | S | S | * | * | trans | -59.6 | 145.3 | 178 | -70.2 | 156.1 | 0 | 0 | 0 | 111.4 | ||||
| 913 | S | 27.4 | Very low | 31.9 | Very low | 95 Ų | 95 | 136 Ų | 136 | 66% | 0.664 | 70% | 0.701 | S | S | * | * | trans | 70.1 | 107 | 153.9 | 69.4 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 914 | K | 27.2 | Very low | 31.9 | Very low | 182 Ų | 182 | 131 Ų | 131 | 79% | 0.791 | 68% | 0.683 | S | S | * | * | 156.3 | 104 | 120.9 | -86.2 | 174.3 | -178.5 | 177.1 | 0 | 108.1 | T916 | K914-T916 PolarHBondContact O-N 2.87Š| |||
| 915 | L | 24.3 | Very low | 31.8 | Very low | 185 Ų | 185 | 131.6 Ų | 131.6 | 97% | 0.969 | 67% | 0.673 | S | S | * | * | trans | -66.4 | 85.1 | 156.2 | -103.8 | 135.9 | 0 | 0 | 0 | 106.7 | V917 | L915-V917 PolarHBondContact O-N 2.81Š| ||
| 916 | T | 27.4 | Very low | 31.7 | Very low | 114 Ų | 114 | 127.7 Ų | 127.7 | 70% | 0.699 | 65% | 0.653 | S | S | * | * | trans | -76.5 | 109.2 | 161.4 | 33.5 | 0 | 0 | 0 | 0 | 107.1 | K914 | K914-T916 PolarHBondContact O-N 2.87Š| ||
| 917 | V | 24.6 | Very low | 31.8 | Very low | 103 Ų | 103 | 131.4 Ų | 131.4 | 62% | 0.624 | 67% | 0.665 | S | S | * | * | trans | -43.8 | 124.9 | 161.4 | -178.4 | 0 | 0 | 0 | 0 | 107.3 | L915 K919 | L915-V917 PolarHBondContact O-N 2.81Å; V917-K919 PolarHBondContact O-N 2.94Å | ||
| 918 | P | 25.5 | Very low | 32.1 | Very low | 112 Ų | 112 | 128.3 Ų | 128.3 | 73% | 0.727 | 65% | 0.653 | S | S | * | * | trans | -59.5 | 114.5 | 169.7 | -15.1 | 27.7 | 0 | 0 | 0 | 106.2 | L920 | P918-L920 PolarHBondContact O-N 2.92Š| ||
| 919 | K | 30.7 | Very low | 32.1 | Very low | 201 Ų | 201 | 123.9 Ų | 123.9 | 87% | 0.874 | 64% | 0.635 | S | S | * | * | trans | -48.3 | 112.2 | 157.2 | -83.9 | 179.8 | 174 | 177.7 | 0 | 105.2 | V917 S921 | V917-K919 PolarHBondContact O-N 2.94Å; K919-S921 PolarHBondContact O-N 3.29Å | ||
| 920 | L | 30.2 | Very low | 32.6 | Very low | 107 Ų | 107 | 120.9 Ų | 120.9 | 56% | 0.56 | 63% | 0.626 | S | S | * | * | trans | -42.7 | 120.7 | 170.2 | -85.5 | 150.5 | 0 | 0 | 0 | 106.8 | P918 K925 | P918-L920 PolarHBondContact O-N 2.92Å; L920-K925 HydrophobicContact CB-CG 4.5Å | ||
| 921 | S | 33.8 | Very low | 33.3 | Very low | 58 Ų | 58 | 114.9 Ų | 114.9 | 41% | 0.406 | 61% | 0.611 | S | S | . | * | trans | -55.7 | 148.7 | 176 | 63.5 | 0 | 0 | 0 | 0 | 108 | K919 Y923 S924 K925 | K919-S921 PolarHBondContact O-N 3.29Å; S921-Y923 PolarHBondContact O-N 3.19Å; S921-Y923 WeakPolarHBondContact OG-CB 3.33Å; S921-S924 PolarHBondContact O-N 3.46Å; S921-S924 PolarHBondContact OG-N 3.13Å; S921-S924 VanDerWaalsContact OG-N 3.13Å; S921-S924 PolarHBondContact OG-OG 3.03Å; S921-S924 VanDerWaalsContact OG-OG 3.11Å; S921-K925 PolarHBondContact O-N 2.94Å; S921-K925 VanDerWaalsContact O-N 3.12Å | ||
| 922 | H | 33.1 | Very low | 33.9 | Very low | 115 Ų | 115 | 118.8 Ų | 118.8 | 53% | 0.532 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -51.3 | -30.1 | 171 | -94.6 | 133.1 | 0 | 0 | 0 | 110.8 | K925 L926 | H922-K925 PolarHBondContact O-N 2.67Å; H922-L926 WeakPolarHBondContact O-CB 3.35Å; H922-L926 PolarHBondContact O-N 3.1Å |
| 923 | Y | 36 | Very low | 34.6 | Very low | 168 Ų | 168 | 117.8 Ų | 117.8 | 66% | 0.659 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -60.7 | -41.4 | 171.9 | -166.6 | -99.3 | 0 | 0 | 0 | 113.9 | S921 L926 K927 | S921-Y923 PolarHBondContact O-N 3.19Å; S921-Y923 WeakPolarHBondContact OG-CB 3.33Å; Y923-L926 PolarHBondContact O-N 2.98Å; Y923-K927 WeakPolarHBondContact O-CB 3.33Å; Y923-K927 PolarHBondContact O-N 3.5Å |
| 924 | S | 41.4 | Very low | 35 | Very low | 45 Ų | 45 | 116.4 Ų | 116.4 | 32% | 0.315 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -71.5 | -34.7 | 175.1 | -56.9 | 0 | 0 | 0 | 0 | 112.6 | S921 K927 L928 | S921-S924 PolarHBondContact O-N 3.46Å; S921-S924 PolarHBondContact OG-N 3.13Å; S921-S924 VanDerWaalsContact OG-N 3.13Å; S921-S924 PolarHBondContact OG-OG 3.03Å; S921-S924 VanDerWaalsContact OG-OG 3.11Å; S924-K927 PolarHBondContact O-N 2.92Å; S924-L928 PolarHBondContact O-N 3.44Å; S924-L928 VanDerWaalsContact O-N 3.13Å |
| 925 | K | 37.2 | Very low | 35.4 | Very low | 115 Ų | 115 | 114.7 Ų | 114.7 | 50% | 0.5 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -67.5 | -39.1 | 170.4 | -79.7 | -176.5 | 175.9 | -178.1 | 0 | 112 | L920 S921 H922 L928 L929 | L920-K925 HydrophobicContact CB-CG 4.5Å; S921-K925 PolarHBondContact O-N 2.94Å; S921-K925 VanDerWaalsContact O-N 3.12Å; H922-K925 PolarHBondContact O-N 2.67Å; K925-L928 WeakPolarHBondContact O-CB 3.41Å; K925-L928 PolarHBondContact O-N 3.12Å; K925-L929 PolarHBondContact O-N 2.9Å |
| 926 | L | 36.1 | Very low | 36.2 | Very low | 40 Ų | 40 | 111.4 Ų | 111.4 | 21% | 0.209 | 58% | 0.576 | C | S | . | * | H | α-helix | trans | -68.4 | -35.4 | 173.3 | -107.6 | 122.6 | 0 | 0 | 0 | 111.5 | H922 Y923 L928 L929 L930 | H922-L926 WeakPolarHBondContact O-CB 3.35Å; H922-L926 PolarHBondContact O-N 3.1Å; Y923-L926 PolarHBondContact O-N 2.98Å; L926-L928 PolarHBondContact O-N 3.07Å; L926-L929 CarbonylContact O-C 3.4Å; L926-L929 PolarHBondContact O-N 3.41Å; L926-L929 VanDerWaalsContact O-N 3.14Å; L926-L930 HydrophobicContact CB-CD1 4.41Å; L926-L930 HydrophobicContact CD2-CD1 4.03Å; L926-L930 HydrophobicContact CD2-CG 4.33Å; L926-L930 WeakPolarHBondContact O-CB 3.03Å; L926-L930 WeakPolarHBondContact O-CG 3.4Å; L926-L930 PolarHBondContact O-N 2.99Å |
| 927 | K | 42.4 | Very low | 36.9 | Very low | 127 Ų | 127 | 110.2 Ų | 110.2 | 55% | 0.552 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -64.8 | -32.5 | 174.3 | -159.5 | 173.7 | -175 | -178.1 | 0 | 111.6 | Y923 S924 N931 | Y923-K927 WeakPolarHBondContact O-CB 3.33Å; Y923-K927 PolarHBondContact O-N 3.5Å; S924-K927 PolarHBondContact O-N 2.92Å; K927-N931 VanDerWaalsContact O-CB 3.28Å; K927-N931 WeakPolarHBondContact O-CB 3.18Å; K927-N931 PolarHBondContact O-N 3.04Å; K927-N931 PolarHBondContact O-OD1 3.12Å |
| 928 | L | 41.5 | Very low | 37.9 | Very low | 119 Ų | 119 | 112.6 Ų | 112.6 | 62% | 0.623 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -68.3 | -40.6 | 169.8 | -91.9 | 153.2 | 0 | 0 | 0 | 112.5 | S924 K925 L926 | S924-L928 PolarHBondContact O-N 3.44Å; S924-L928 VanDerWaalsContact O-N 3.13Å; K925-L928 WeakPolarHBondContact O-CB 3.41Å; K925-L928 PolarHBondContact O-N 3.12Å; L926-L928 PolarHBondContact O-N 3.07Å |
| 929 | L | 38 | Very low | 39.1 | Very low | 103 Ų | 103 | 110.3 Ų | 110.3 | 54% | 0.539 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -72 | -34.8 | 174.6 | -86 | 154.1 | 0 | 0 | 0 | 113.5 | K925 L926 E932 F933 | K925-L929 PolarHBondContact O-N 2.9Å; L926-L929 CarbonylContact O-C 3.4Å; L926-L929 PolarHBondContact O-N 3.41Å; L926-L929 VanDerWaalsContact O-N 3.14Å; L929-E932 PolarHBondContact O-N 2.88Å; L929-F933 WeakPolarHBondContact O-CD2 3.41Å |
| 930 | L | 40.6 | Very low | 40.4 | Very low | 81 Ų | 81 | 104.9 Ų | 104.9 | 42% | 0.424 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -77.3 | -27.1 | 179.9 | -73.4 | 165.8 | 0 | 0 | 0 | 111.7 | L926 E932 F933 I978 | L926-L930 HydrophobicContact CB-CD1 4.41Å; L926-L930 HydrophobicContact CD2-CD1 4.03Å; L926-L930 HydrophobicContact CD2-CG 4.33Å; L926-L930 WeakPolarHBondContact O-CB 3.03Å; L926-L930 WeakPolarHBondContact O-CG 3.4Å; L926-L930 PolarHBondContact O-N 2.99Å; L930-E932 PolarHBondContact O-N 3.05Å; L930-F933 PolarHBondContact O-N 3.37Å; L930-I978 HydrophobicContact CD2-CD1 4.17Å |
| 931 | N | 45.6 | Very low | 41.8 | Very low | 107 Ų | 107 | 105 Ų | 105 | 57% | 0.572 | 53% | 0.53 | S | S | * | . | G | 310 helix | trans | -68.6 | -14.8 | 172 | -81.8 | -0 | 0 | 0 | 0 | 112.8 | K927 F933 | K927-N931 VanDerWaalsContact O-CB 3.28Å; K927-N931 WeakPolarHBondContact O-CB 3.18Å; K927-N931 PolarHBondContact O-N 3.04Å; K927-N931 PolarHBondContact O-OD1 3.12Å; N931-F933 PolarHBondContact O-N 3.48Å |
| 932 | E | 42 | Very low | 43.4 | Very low | 156 Ų | 156 | 104 Ų | 104 | 73% | 0.729 | 52% | 0.522 | S | S | * | . | G | 310 helix | trans | -74.9 | -9.6 | 168.2 | -70.3 | -168.9 | 150.2 | 0 | 0 | 113.1 | L929 L930 | L929-E932 PolarHBondContact O-N 2.88Å; L930-E932 PolarHBondContact O-N 3.05Å |
| 933 | F | 41 | Very low | 45 | Very low | 141 Ų | 141 | 98.5 Ų | 98.5 | 62% | 0.618 | 50% | 0.496 | S | S | * | . | G | 310 helix | trans | -115.9 | 19.3 | -179.2 | -65.1 | -79 | 0 | 0 | 0 | 113.7 | L929 L930 N931 N935 | L929-F933 WeakPolarHBondContact O-CD2 3.41Å; L930-F933 PolarHBondContact O-N 3.37Å; N931-F933 PolarHBondContact O-N 3.48Å; F933-N935 PolarHBondContact O-N 3.35Å |
| 934 | A | 35.5 | Very low | 46.4 | Very low | 66 Ų | 66 | 93 Ų | 93 | 55% | 0.545 | 48% | 0.48 | S | S | . | . | trans | -77.7 | 120.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 935 | N | 36 | Very low | 47.3 | Very low | 145 Ų | 145 | 91.9 Ų | 91.9 | 78% | 0.775 | 48% | 0.476 | S | S | * | . | S | Bend | trans | 93.5 | 117.9 | -179.4 | -51.3 | -20.7 | 0 | 0 | 0 | 113.5 | F933 | F933-N935 PolarHBondContact O-N 3.35Š|
| 936 | D | 40.6 | Very low | 48.7 | Very low | 116 Ų | 116 | 88.7 Ų | 88.7 | 62% | 0.62 | 46% | 0.461 | S | S | * | . | trans | 101.9 | 26.7 | 165.1 | -48.8 | -12.2 | 0 | 0 | 0 | 119.6 | W364 | W364-D936 HydrophobicContact CH2-CB 3.91Å; W364-D936 VanDerWaalsContact CH2-CG 3.48Å; W364-D936 WeakPolarHBondContact CH2-OD1 3.17Å; W364-D936 HydrophobicContact CZ2-CB 4.44Å; W364-D936 WeakPolarHBondContact CZ3-OD1 3.37Å | ||
| 937 | M | 42.2 | Very low | 50.1 | Low | 90 Ų | 90 | 87.3 Ų | 87.3 | 44% | 0.443 | 45% | 0.454 | S | S | . | . | trans | -92.9 | 113.8 | 166.5 | -65.9 | -148 | -44.7 | 0 | 0 | 112.9 | V939 R982 | M937-V939 PolarHBondContact O-N 3.26Å; M937-R982 HydrophobicContact CE-CG 3.56Å; M937-R982 PolarHBondContact SD-NE 3Å; M937-R982 PolarHBondContact SD-NH2 3.39Å | ||
| 938 | E | 46 | Very low | 51.6 | Low | 152 Ų | 152 | 81.3 Ų | 81.3 | 71% | 0.71 | 43% | 0.428 | S | S | * | . | trans | -52 | 118.4 | 165.6 | -98.7 | -179.5 | 155.7 | 0 | 0 | 110.5 | L940 | E938-L940 PolarHBondContact O-N 3.15Š| ||
| 939 | V | 51.3 | Low | 53 | Low | 65 Ų | 65 | 75.7 Ų | 75.7 | 39% | 0.394 | 40% | 0.399 | S | S | . | . | trans | -81.1 | 110.2 | 162.3 | 179.8 | 0 | 0 | 0 | 0 | 106 | M937 H941 R982 | M937-V939 PolarHBondContact O-N 3.26Å; V939-H941 PolarHBondContact O-CD2 3.05Å; V939-H941 PolarHBondContact O-N 3.38Å; V939-H941 VanDerWaalsContact O-N 3.14Å; V939-R982 WeakPolarHBondContact CA-O 3.29Å; V939-R982 WeakPolarHBondContact CG1-O 3.4Å | ||
| 940 | L | 57 | Low | 54.6 | Low | 86 Ų | 86 | 70.9 Ų | 70.9 | 45% | 0.45 | 37% | 0.373 | S | S | . | . | trans | -69.1 | -11.9 | -175.6 | -74.5 | 155.3 | 0 | 0 | 0 | 112.8 | E938 P942 R982 L983 | E938-L940 PolarHBondContact O-N 3.15Å; L940-P942 WeakPolarHBondContact O-CD 3.13Å; L940-R982 PolarHBondContact N-O 3.26Å; L940-L983 HydrophobicContact CB-CD2 4.31Å; L940-L983 HydrophobicContact CD1-CD2 4.11Å | ||
| 941 | H | 60.7 | Low | 56 | Low | 111 Ų | 111 | 67 Ų | 67 | 51% | 0.514 | 35% | 0.353 | S | S | . | . | trans | 60.7 | 8.3 | 177.5 | -73.4 | -64.9 | 0 | 0 | 0 | 119.6 | V939 L943 T944 L983 | V939-H941 PolarHBondContact O-CD2 3.05Å; V939-H941 PolarHBondContact O-N 3.38Å; V939-H941 VanDerWaalsContact O-N 3.14Å; H941-L943 VanDerWaalsContact C-N 3.29Å; H941-L943 PolarHBondContact O-N 3.27Å; H941-T944 VanDerWaalsContact CA-OG1 3.22Å; H941-T944 WeakPolarHBondContact CA-OG1 3.44Å; H941-T944 VanDerWaalsContact CB-OG1 3.27Å; H941-T944 WeakPolarHBondContact CB-OG1 3.23Å; H941-T944 PolarHBondContact ND1-OG1 2.97Å; H941-T944 PolarHBondContact O-N 3.3Å; H941-T944 PolarHBondContact O-OG1 2.89Å; H941-L983 CarbonylContact C-O 3.2Å | ||
| 942 | P | 66.9 | Low | 57 | Low | 35 Ų | 35 | 62.6 Ų | 62.6 | 23% | 0.227 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -32.5 | -177 | 28.3 | -35.6 | 0 | 0 | 0 | 112.8 | L940 L983 W1087 | L940-P942 WeakPolarHBondContact O-CD 3.13Å; P942-L983 WeakPolarHBondContact CD-O 3.43Å; P942-L983 HydrophobicContact CG-CB 3.99Å; P942-L983 HydrophobicContact CG-CD2 3.72Å; P942-L983 HydrophobicContact CG-CG 4.36Å; P942-W1087 HydrophobicContact CB-CB 4.2Å |
| 943 | L | 66.6 | Low | 58 | Low | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.7 | 16.1 | 179.6 | -40.1 | 167.6 | 0 | 0 | 0 | 114.2 | H941 G945 Y946 L948 L980 L983 G984 S985 W1087 | H941-L943 VanDerWaalsContact C-N 3.29Å; H941-L943 PolarHBondContact O-N 3.27Å; L943-G945 PolarHBondContact O-N 3.07Å; L943-Y946 WeakPolarHBondContact O-CB 3.43Å; L943-Y946 WeakPolarHBondContact O-CD2 3.43Å; L943-Y946 PolarHBondContact O-N 3.22Å; L943-L948 HydrophobicContact CD1-CD1 4.23Å; L943-L980 HydrophobicContact CD1-CB 4.45Å; L943-L980 HydrophobicContact CD1-CD2 3.56Å; L943-L983 WeakPolarHBondContact CA-O 3.28Å; L943-L983 HydrophobicContact CB-CB 4.36Å; L943-L983 WeakPolarHBondContact CB-O 3.47Å; L943-L983 HydrophobicContact CD1-CB 3.41Å; L943-L983 VanDerWaalsContact CD1-CB 3.41Å; L943-L983 HydrophobicContact CD1-CD1 3.91Å; L943-L983 HydrophobicContact CD1-CG 4.33Å; L943-L983 HydrophobicContact CG-CB 3.61Å; L943-L983 HydrophobicContact CG-CD1 4.3Å; L943-L983 PolarHBondContact N-O 3.14Å; L943-G984 CarbonylContact O-C 3.49Å; L943-S985 WeakPolarHBondContact O-CA 3.31Å; L943-W1087 VanDerWaalsContact CA-CZ3 3.44Å; L943-W1087 HydrophobicContact CB-CE3 4.01Å; L943-W1087 HydrophobicContact CB-CZ3 3.52Å; L943-W1087 HydrophobicContact CD2-CD2 4.05Å; L943-W1087 HydrophobicContact CD2-CE3 3.12Å; L943-W1087 HydrophobicContact CD2-CH2 3.75Å; L943-W1087 HydrophobicContact CD2-CZ3 2.95Å; L943-W1087 HydrophobicContact CG-CE3 3.89Å; L943-W1087 HydrophobicContact CG-CZ3 3.65Å |
| 944 | T | 66 | Low | 59 | Low | 52 Ų | 52 | 49.6 Ų | 49.6 | 32% | 0.319 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | 127.8 | 177.5 | -46.8 | 0 | 0 | 0 | 0 | 110.4 | H941 G984 | H941-T944 VanDerWaalsContact CA-OG1 3.22Å; H941-T944 WeakPolarHBondContact CA-OG1 3.44Å; H941-T944 VanDerWaalsContact CB-OG1 3.27Å; H941-T944 WeakPolarHBondContact CB-OG1 3.23Å; H941-T944 PolarHBondContact ND1-OG1 2.97Å; H941-T944 PolarHBondContact O-N 3.3Å; H941-T944 PolarHBondContact O-OG1 2.89Å; T944-G984 WeakPolarHBondContact CA-O 3.25Å |
| 945 | G | 60.6 | Low | 60.2 | Low | 23 Ų | 23 | 47.9 Ų | 47.9 | 24% | 0.237 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 93.8 | -0.8 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | L943 T1035 | L943-G945 PolarHBondContact O-N 3.07Å; G945-T1035 PolarHBondContact O-OG1 3.14Å |
| 946 | Y | 65.8 | Low | 61.2 | Low | 47 Ų | 47 | 44.8 Ų | 44.8 | 18% | 0.184 | 24% | 0.241 | C | C | . | . | trans | -103 | 126.4 | 179.2 | -64.7 | -104.3 | 0 | 0 | 0 | 111.1 | L943 S985 M986 H1036 W1087 | L943-Y946 WeakPolarHBondContact O-CB 3.43Å; L943-Y946 WeakPolarHBondContact O-CD2 3.43Å; L943-Y946 PolarHBondContact O-N 3.22Å; Y946-S985 WeakPolarHBondContact O-CA 3.35Å; Y946-S985 PolarHBondContact O-OG 2.92Å; Y946-M986 PolarHBondContact O-N 3.26Å; Y946-H1036 HydrophobicContact CD1-CB 3.92Å; Y946-H1036 AromaticContact CD1-CE1 3.68Å; Y946-H1036 AromaticContact CD1-CG 3.49Å; Y946-H1036 VanDerWaalsContact CD1-CG 3.49Å; Y946-H1036 AromaticContact CD1-ND1 3.04Å; Y946-H1036 WeakPolarHBondContact CD1-ND1 3.41Å; Y946-H1036 AromaticContact CE1-CE1 3.16Å; Y946-H1036 WeakPolarHBondContact CE1-CE1 3.18Å; Y946-H1036 AromaticContact CE1-CG 3.73Å; Y946-H1036 AromaticContact CE1-ND1 3.07Å; Y946-H1036 WeakPolarHBondContact CE1-ND1 3.4Å; Y946-H1036 AromaticContact CE1-NE2 3.78Å; Y946-W1087 AromaticContact CD1-CH2 3.15Å; Y946-W1087 HydrophobicContact CD1-CH2 3.15Å; Y946-W1087 AromaticContact CD1-CZ2 3.83Å; Y946-W1087 HydrophobicContact CD1-CZ2 3.83Å; Y946-W1087 AromaticContact CD1-CZ3 3.78Å; Y946-W1087 HydrophobicContact CD1-CZ3 3.78Å; Y946-W1087 HydrophobicContact CD2-CE3 4.37Å; Y946-W1087 AromaticContact CD2-CH2 3.79Å; Y946-W1087 HydrophobicContact CD2-CH2 3.79Å; Y946-W1087 AromaticContact CD2-CZ3 3.49Å; Y946-W1087 HydrophobicContact CD2-CZ3 3.49Å; Y946-W1087 VanDerWaalsContact CD2-CZ3 3.49Å; Y946-W1087 AromaticContact CE1-CH2 3.2Å; Y946-W1087 HydrophobicContact CE1-CH2 3.2Å; Y946-W1087 AromaticContact CE1-CZ2 3.43Å; Y946-W1087 HydrophobicContact CE1-CZ2 3.43Å; Y946-W1087 VanDerWaalsContact CE1-CZ2 3.43Å; Y946-W1087 AromaticContact CE1-CZ3 3.85Å; Y946-W1087 HydrophobicContact CE1-CZ3 3.85Å; Y946-W1087 HydrophobicContact CE2-CE3 4.11Å; Y946-W1087 AromaticContact CE2-CH2 3.85Å; Y946-W1087 HydrophobicContact CE2-CH2 3.85Å; Y946-W1087 HydrophobicContact CE2-CZ2 4.45Å; Y946-W1087 AromaticContact CE2-CZ3 3.58Å; Y946-W1087 HydrophobicContact CE2-CZ3 3.58Å; Y946-W1087 AromaticContact CG-CH2 3.47Å; Y946-W1087 HydrophobicContact CG-CH2 3.47Å; Y946-W1087 VanDerWaalsContact CG-CH2 3.47Å; Y946-W1087 HydrophobicContact CG-CZ2 4.49Å; Y946-W1087 AromaticContact CG-CZ3 3.61Å; Y946-W1087 HydrophobicContact CG-CZ3 3.61Å; Y946-W1087 AromaticContact CZ-CH2 3.59Å; Y946-W1087 AromaticContact CZ-CZ2 3.8Å; Y946-W1087 AromaticContact CZ-CZ3 3.77Å | ||
| 947 | I | 66.6 | Low | 61.9 | Low | 11 Ų | 11 | 41.1 Ų | 41.1 | 6% | 0.056 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 105.8 | 170.3 | -54.6 | -167 | 0 | 0 | 0 | 109.6 | M986 I988 P1034 H1036 | I947-M986 CarbonylContact C-O 3.58Å; I947-M986 WeakPolarHBondContact CA-O 3.15Å; I947-M986 HydrophobicContact CB-CB 4.3Å; I947-M986 HydrophobicContact CD1-CE 3.58Å; I947-M986 HydrophobicContact CD1-SD 4.14Å; I947-M986 HydrophobicContact CG1-CB 3.88Å; I947-M986 HydrophobicContact CG1-CE 4.19Å; I947-M986 HydrophobicContact CG1-SD 4.25Å; I947-M986 HydrophobicContact CG2-CB 4.32Å; I947-I988 HydrophobicContact CG2-CD1 3.54Å; I947-I988 HydrophobicContact CG2-CG1 3.77Å; I947-P1034 HydrophobicContact CB-CB 4.06Å; I947-P1034 HydrophobicContact CD1-CB 3.75Å; I947-P1034 HydrophobicContact CD1-CG 3.57Å; I947-P1034 HydrophobicContact CG1-CB 4Å; I947-P1034 HydrophobicContact CG1-CG 4.32Å; I947-H1036 CarbonylContact C-O 3.56Å; I947-H1036 CarbonylContact O-C 3.57Å |
| 948 | L | 73 | Confident | 62.6 | Low | 1 Ų | 1 | 44.4 Ų | 44.4 | 1% | 0.005 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 127 | -178.5 | -53.7 | -177.7 | 0 | 0 | 0 | 110.7 | L943 L980 S985 M986 C987 I988 H1036 I1038 | L943-L948 HydrophobicContact CD1-CD1 4.23Å; L948-L980 HydrophobicContact CD1-CB 4.47Å; L948-L980 HydrophobicContact CD1-CD1 3.88Å; L948-L980 HydrophobicContact CD1-CD2 3.6Å; L948-L980 HydrophobicContact CD1-CG 4.19Å; L948-S985 WeakPolarHBondContact CD1-OG 3.45Å; L948-S985 WeakPolarHBondContact CG-OG 3.5Å; L948-M986 PolarHBondContact N-O 2.93Å; L948-C987 CarbonylContact O-C 3.58Å; L948-C987 WeakPolarHBondContact O-CA 3.21Å; L948-I988 PolarHBondContact O-N 2.83Å; L948-H1036 HydrophobicContact CD2-CB 4.4Å; L948-I1038 HydrophobicContact CB-CD1 4.49Å; L948-I1038 HydrophobicContact CD1-CD1 3.98Å; L948-I1038 HydrophobicContact CD2-CD1 3.31Å; L948-I1038 HydrophobicContact CD2-CG1 3.7Å; L948-I1038 HydrophobicContact CG-CD1 4.08Å |
| 949 | V | 70.3 | Confident | 63 | Low | 1 Ų | 1 | 43.2 Ų | 43.2 | 1% | 0.006 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 92.4 | -176.8 | -172.7 | 0 | 0 | 0 | 0 | 111.3 | I951 I988 I991 L1006 V1037 I1038 W1062 | V949-I951 HydrophobicContact CG1-CG1 4.19Å; V949-I951 PolarHBondContact O-N 3.38Å; V949-I951 VanDerWaalsContact O-N 3.08Å; V949-I988 CarbonylContact C-O 3.6Å; V949-I988 VanDerWaalsContact CA-O 3.28Å; V949-I988 WeakPolarHBondContact CA-O 3.47Å; V949-I988 HydrophobicContact CB-CB 4.42Å; V949-I988 HydrophobicContact CG1-CB 4.25Å; V949-I988 HydrophobicContact CG1-CG2 4.16Å; V949-I988 HydrophobicContact CG2-CB 4.17Å; V949-I988 HydrophobicContact CG2-CD1 4.22Å; V949-I991 HydrophobicContact CG1-CD1 4.17Å; V949-L1006 HydrophobicContact CG1-CD2 4.07Å; V949-V1037 HydrophobicContact CB-CB 4.46Å; V949-V1037 HydrophobicContact CB-CG1 3.72Å; V949-V1037 HydrophobicContact CG1-CG1 4.44Å; V949-V1037 HydrophobicContact CG2-CB 4.32Å; V949-V1037 HydrophobicContact CG2-CG1 3.98Å; V949-V1037 HydrophobicContact CG2-CG2 4.04Å; V949-I1038 CarbonylContact C-O 3.57Å; V949-I1038 CarbonylContact O-C 3.49Å; V949-W1062 HydrophobicContact CB-CH2 4.46Å; V949-W1062 HydrophobicContact CG1-CH2 3.93Å; V949-W1062 HydrophobicContact CG1-CZ3 4.09Å; V949-W1062 HydrophobicContact CG2-CH2 3.78Å; V949-W1062 HydrophobicContact CG2-CZ3 4.08Å |
| 950 | L | 72.6 | Confident | 63.1 | Low | 2 Ų | 2 | 47.8 Ų | 47.8 | 1% | 0.01 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 95.7 | -174.3 | -59.3 | 154 | 0 | 0 | 0 | 110.2 | I977 L980 C987 I988 P990 I991 L1040 | L950-I977 HydrophobicContact CD1-CD1 3.82Å; L950-I977 HydrophobicContact CD1-CG1 3.4Å; L950-L980 HydrophobicContact CD1-CD1 4.28Å; L950-L980 HydrophobicContact CD2-CD1 4.16Å; L950-C987 HydrophobicContact CD1-CB 4.15Å; L950-I988 PolarHBondContact N-O 3.21Å; L950-P990 CarbonylContact O-C 3.52Å; L950-P990 WeakPolarHBondContact O-CA 3.41Å; L950-I991 PolarHBondContact O-N 3.38Å; L950-L1040 HydrophobicContact CB-CD1 4.3Å; L950-L1040 HydrophobicContact CD2-CD1 3.18Å; L950-L1040 HydrophobicContact CD2-CD2 4.49Å; L950-L1040 HydrophobicContact CD2-CG 3.65Å; L950-L1040 HydrophobicContact CG-CD1 4.3Å |
| 951 | I | 68.8 | Low | 62.9 | Low | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 132.8 | 172.1 | -59 | 177 | 0 | 0 | 0 | 108.9 | V949 I991 I993 V1039 L1040 L1059 | V949-I951 HydrophobicContact CG1-CG1 4.19Å; V949-I951 PolarHBondContact O-N 3.38Å; V949-I951 VanDerWaalsContact O-N 3.08Å; I951-I991 HydrophobicContact CG1-CB 4.3Å; I951-I991 HydrophobicContact CG1-CD1 4.43Å; I951-I993 HydrophobicContact CG2-CD1 3.3Å; I951-I993 HydrophobicContact CG2-CG1 3.89Å; I951-V1039 HydrophobicContact CB-CB 4.44Å; I951-V1039 HydrophobicContact CB-CG1 3.75Å; I951-V1039 HydrophobicContact CB-CG2 4.21Å; I951-V1039 HydrophobicContact CD1-CG2 3.92Å; I951-V1039 HydrophobicContact CG1-CG2 4.26Å; I951-V1039 HydrophobicContact CG2-CG1 4.27Å; I951-L1040 CarbonylContact O-C 3.49Å; I951-L1040 PolarHBondContact O-N 2.64Å; I951-L1059 HydrophobicContact CD1-CD2 4.06Å |
| 952 | R | 67.3 | Low | 62.5 | Low | 15 Ų | 15 | 48.1 Ų | 48.1 | 6% | 0.057 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 120.5 | 177.3 | -168.7 | 157.7 | -171.5 | 151.4 | 5.7 | 111.5 | L954 L969 Q973 I991 G992 I993 T1042 | R952-L954 HydrophobicContact CG-CD2 4.41Å; R952-L969 VanDerWaalsContact NH2-CD2 3.3Å; R952-L969 VanDerWaalsContact NH2-CG 3.33Å; R952-Q973 VanDerWaalsContact NH1-CD 3.26Å; R952-Q973 VanDerWaalsContact NH1-CG 3.27Å; R952-Q973 VanDerWaalsContact NH1-NE2 3.1Å; R952-I991 PolarHBondContact N-O 3.08Å; R952-G992 CarbonylContact O-C 3.59Å; R952-G992 WeakPolarHBondContact O-CA 3.34Å; R952-I993 PolarHBondContact O-N 3.23Å; R952-T1042 VanDerWaalsContact CZ-CG2 3.45Å |
| 953 | P | 62.4 | Low | 61.8 | Low | 4 Ų | 4 | 54.9 Ų | 54.9 | 3% | 0.026 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 130.9 | 165.4 | 29 | -32.8 | 0 | 0 | 0 | 110.1 | F955 F1048 | P953-F955 HydrophobicContact CB-CD1 4.46Å; P953-F955 HydrophobicContact CB-CD2 3.39Å; P953-F955 HydrophobicContact CB-CE1 4.25Å; P953-F955 HydrophobicContact CB-CE2 3.12Å; P953-F955 HydrophobicContact CB-CG 4.07Å; P953-F955 HydrophobicContact CB-CZ 3.59Å; P953-F955 HydrophobicContact CG-CE2 4.3Å; P953-F1048 HydrophobicContact CB-CB 4.27Å; P953-F1048 HydrophobicContact CB-CD2 3.55Å; P953-F1048 HydrophobicContact CB-CE2 4.25Å; P953-F1048 HydrophobicContact CB-CG 4.16Å; P953-F1048 HydrophobicContact CG-CB 4Å; P953-F1048 HydrophobicContact CG-CD2 3.45Å; P953-F1048 VanDerWaalsContact CG-CD2 3.45Å; P953-F1048 HydrophobicContact CG-CE2 4.05Å; P953-F1048 HydrophobicContact CG-CG 3.71Å |
| 954 | L | 62.5 | Low | 61.3 | Low | 20 Ų | 20 | 60 Ų | 60 | 11% | 0.105 | 31% | 0.312 | C | S | . | . | trans | -115.3 | 36.9 | 174.3 | -66.2 | 168.9 | 0 | 0 | 0 | 109.7 | R952 S956 L957 I993 Y994 | R952-L954 HydrophobicContact CG-CD2 4.41Å; L954-S956 VanDerWaalsContact C-N 3.34Å; L954-S956 PolarHBondContact O-N 3.41Å; L954-L957 HydrophobicContact CD2-CD1 3.96Å; L954-I993 PolarHBondContact N-O 3.11Å; L954-Y994 HydrophobicContact CB-CD1 4.16Å; L954-Y994 HydrophobicContact CD1-CD1 3.75Å; L954-Y994 HydrophobicContact CD1-CE1 3.35Å; L954-Y994 HydrophobicContact CD1-CE2 4.29Å; L954-Y994 HydrophobicContact CD1-CG 4.39Å | ||
| 955 | F | 61.9 | Low | 60.7 | Low | 30 Ų | 30 | 60.4 Ų | 60.4 | 13% | 0.132 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -28.2 | -169.5 | -54.6 | -44.6 | 0 | 0 | 0 | 113.7 | P953 I993 P996 E1047 F1048 W1051 | P953-F955 HydrophobicContact CB-CD1 4.46Å; P953-F955 HydrophobicContact CB-CD2 3.39Å; P953-F955 HydrophobicContact CB-CE1 4.25Å; P953-F955 HydrophobicContact CB-CE2 3.12Å; P953-F955 HydrophobicContact CB-CG 4.07Å; P953-F955 HydrophobicContact CB-CZ 3.59Å; P953-F955 HydrophobicContact CG-CE2 4.3Å; F955-I993 HydrophobicContact CE1-CB 4.36Å; F955-I993 HydrophobicContact CE1-CG2 3.85Å; F955-I993 HydrophobicContact CZ-CG2 4.33Å; F955-P996 HydrophobicContact CD1-CG 4.29Å; F955-E1047 HydrophobicContact CD2-CB 4.22Å; F955-F1048 HydrophobicContact CD2-CB 4.5Å; F955-F1048 HydrophobicContact CE2-CB 3.98Å; F955-F1048 AromaticContact CE2-CD2 3.85Å; F955-F1048 HydrophobicContact CE2-CD2 3.85Å; F955-F1048 HydrophobicContact CE2-CG 4.43Å; F955-F1048 HydrophobicContact CZ-CD2 4.3Å; F955-W1051 HydrophobicContact CE1-CG 4.32Å; F955-W1051 HydrophobicContact CE2-CB 4.06Å; F955-W1051 HydrophobicContact CE2-CG 4.27Å; F955-W1051 HydrophobicContact CZ-CB 3.83Å; F955-W1051 AromaticContact CZ-CD1 3.9Å; F955-W1051 AromaticContact CZ-CD2 3.84Å; F955-W1051 HydrophobicContact CZ-CD2 3.84Å; F955-W1051 HydrophobicContact CZ-CE3 4.36Å; F955-W1051 AromaticContact CZ-CG 3.55Å; F955-W1051 HydrophobicContact CZ-CG 3.55Å |
| 956 | S | 55.9 | Low | 60.5 | Low | 80 Ų | 80 | 61.2 Ų | 61.2 | 56% | 0.559 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.6 | 0.2 | -168.2 | 50.2 | 0 | 0 | 0 | 0 | 116.5 | L954 E958 E1045 | L954-S956 VanDerWaalsContact C-N 3.34Å; L954-S956 PolarHBondContact O-N 3.41Å; S956-E958 PolarHBondContact O-N 3.05Å; S956-E1045 VanDerWaalsContact CB-OE1 3.31Å; S956-E1045 WeakPolarHBondContact CB-OE1 3.41Å; S956-E1045 PolarHBondContact OG-OE1 3.33Å |
| 957 | L | 54.9 | Low | 60.1 | Low | 39 Ų | 39 | 61.7 Ų | 61.7 | 20% | 0.204 | 32% | 0.321 | C | S | . | . | trans | -85.7 | 112.3 | -176.1 | -72 | 164.5 | 0 | 0 | 0 | 112.4 | L954 K962 V965 | L954-L957 HydrophobicContact CD2-CD1 3.96Å; L957-K962 HydrophobicContact CB-CG 3.98Å; L957-K962 WeakPolarHBondContact O-CE 3.36Å; L957-V965 HydrophobicContact CD2-CB 4.33Å; L957-V965 HydrophobicContact CD2-CG1 4.01Å | ||
| 958 | E | 56.8 | Low | 59.7 | Low | 159 Ų | 159 | 65 Ų | 65 | 74% | 0.743 | 35% | 0.345 | S | S | * | . | trans | -71.7 | 151.8 | 168.6 | -71.6 | -166.8 | 163.9 | 0 | 0 | 112.4 | S956 D960 E961 K962 | S956-E958 PolarHBondContact O-N 3.05Å; E958-D960 VanDerWaalsContact C-N 3.34Å; E958-D960 PolarHBondContact O-N 3.37Å; E958-D960 VanDerWaalsContact O-N 3.14Å; E958-E961 PolarHBondContact O-N 3.06Å; E958-K962 WeakPolarHBondContact O-CG 3.32Å; E958-K962 PolarHBondContact O-N 3.05Å | ||
| 959 | N | 55.5 | Low | 59.2 | Low | 126 Ų | 126 | 67.1 Ų | 67.1 | 67% | 0.674 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -31.4 | -162.4 | -88 | -18.6 | 0 | 0 | 0 | 116.6 | K962 | N959-K962 PolarHBondContact OD1-NZ 3.26Š|
| 960 | D | 52.7 | Low | 58.9 | Low | 162 Ų | 162 | 71.4 Ų | 71.4 | 87% | 0.866 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.6 | -27.7 | -173.8 | -76.6 | -30.1 | 0 | 0 | 0 | 113.8 | E958 K962 | E958-D960 VanDerWaalsContact C-N 3.34Å; E958-D960 PolarHBondContact O-N 3.37Å; E958-D960 VanDerWaalsContact O-N 3.14Å; D960-K962 VanDerWaalsContact C-N 3.3Å |
| 961 | E | 53 | Low | 58.5 | Low | 138 Ų | 138 | 76.5 Ų | 76.5 | 65% | 0.645 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.1 | -15.7 | 172.6 | -69 | -169.7 | 157.3 | 0 | 0 | 112.7 | E958 K963 V965 | E958-E961 PolarHBondContact O-N 3.06Å; E961-K963 VanDerWaalsContact C-N 3.31Å; E961-K963 PolarHBondContact O-N 3.33Å; E961-K963 VanDerWaalsContact O-N 3.16Å; E961-V965 PolarHBondContact O-N 2.79Å |
| 962 | K | 51.8 | Low | 58.5 | Low | 65 Ų | 65 | 80.9 Ų | 80.9 | 28% | 0.283 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -47.2 | -48.2 | -177.4 | -89.8 | 176.9 | -165.3 | 175.9 | 0 | 113 | L957 E958 N959 D960 L966 | L957-K962 HydrophobicContact CB-CG 3.98Å; L957-K962 WeakPolarHBondContact O-CE 3.36Å; E958-K962 WeakPolarHBondContact O-CG 3.32Å; E958-K962 PolarHBondContact O-N 3.05Å; N959-K962 PolarHBondContact OD1-NZ 3.26Å; D960-K962 VanDerWaalsContact C-N 3.3Å; K962-L966 HydrophobicContact CB-CD1 3.98Å; K962-L966 HydrophobicContact CG-CD1 4.35Å; K962-L966 WeakPolarHBondContact O-CB 3.47Å; K962-L966 WeakPolarHBondContact O-CD1 3.34Å; K962-L966 WeakPolarHBondContact O-CG 3.43Å; K962-L966 PolarHBondContact O-N 2.99Å |
| 963 | K | 53.3 | Low | 58.5 | Low | 177 Ų | 177 | 80.9 Ų | 80.9 | 77% | 0.77 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -68.5 | -45.5 | -164.9 | -113.3 | 177.2 | -177.4 | 170.5 | 0 | 114.4 | E961 T967 | E961-K963 VanDerWaalsContact C-N 3.31Å; E961-K963 PolarHBondContact O-N 3.33Å; E961-K963 VanDerWaalsContact O-N 3.16Å; K963-T967 PolarHBondContact O-N 2.94Å; K963-T967 PolarHBondContact O-OG1 2.99Å |
| 964 | T | 55.2 | Low | 58.8 | Low | 109 Ų | 109 | 84 Ų | 84 | 67% | 0.669 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -78.7 | -41 | -174.1 | -30.7 | 0 | 0 | 0 | 0 | 111 | T967 S968 | T964-T967 PolarHBondContact O-N 3.16Å; T964-T967 PolarHBondContact O-OG1 3.13Å; T964-S968 PolarHBondContact O-N 3.34Å |
| 965 | V | 53.5 | Low | 59.3 | Low | 59 Ų | 59 | 87.5 Ų | 87.5 | 36% | 0.358 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -65.7 | -41.8 | 176.2 | -179.7 | 0 | 0 | 0 | 0 | 110.4 | L957 E961 T967 S968 L969 | L957-V965 HydrophobicContact CD2-CB 4.33Å; L957-V965 HydrophobicContact CD2-CG1 4.01Å; E961-V965 PolarHBondContact O-N 2.79Å; V965-T967 VanDerWaalsContact C-N 3.33Å; V965-T967 PolarHBondContact O-N 3.43Å; V965-S968 PolarHBondContact O-N 3.05Å; V965-L969 HydrophobicContact CG1-CD1 4.4Å; V965-L969 WeakPolarHBondContact O-CB 3.39Å; V965-L969 PolarHBondContact O-N 2.87Å |
| 966 | L | 56.1 | Low | 59.9 | Low | 41 Ų | 41 | 86.4 Ų | 86.4 | 22% | 0.215 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -56.7 | -43.6 | 175.3 | -86.8 | 159.1 | 0 | 0 | 0 | 112.2 | K962 S968 L969 E970 | K962-L966 HydrophobicContact CB-CD1 3.98Å; K962-L966 HydrophobicContact CG-CD1 4.35Å; K962-L966 WeakPolarHBondContact O-CB 3.47Å; K962-L966 WeakPolarHBondContact O-CD1 3.34Å; K962-L966 WeakPolarHBondContact O-CG 3.43Å; K962-L966 PolarHBondContact O-N 2.99Å; L966-S968 PolarHBondContact O-N 3.13Å; L966-L969 PolarHBondContact O-N 3.09Å; L966-E970 VanDerWaalsContact O-CB 3.26Å; L966-E970 WeakPolarHBondContact O-CB 3.36Å; L966-E970 VanDerWaalsContact O-CG 3.31Å; L966-E970 WeakPolarHBondContact O-CG 3.45Å; L966-E970 PolarHBondContact O-N 2.77Å |
| 967 | T | 57.5 | Low | 60.8 | Low | 57 Ų | 57 | 83.3 Ų | 83.3 | 35% | 0.35 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -64.8 | -39.9 | 180 | 32.7 | 0 | 0 | 0 | 0 | 113.6 | K963 T964 V965 I971 | K963-T967 PolarHBondContact O-N 2.94Å; K963-T967 PolarHBondContact O-OG1 2.99Å; T964-T967 PolarHBondContact O-N 3.16Å; T964-T967 PolarHBondContact O-OG1 3.13Å; V965-T967 VanDerWaalsContact C-N 3.33Å; V965-T967 PolarHBondContact O-N 3.43Å; T967-I971 WeakPolarHBondContact O-CD1 3.48Å; T967-I971 VanDerWaalsContact O-CG1 3.27Å; T967-I971 WeakPolarHBondContact O-CG1 3.05Å; T967-I971 PolarHBondContact O-N 3.25Å |
| 968 | S | 59.2 | Low | 61.6 | Low | 81 Ų | 81 | 83.7 Ų | 83.7 | 57% | 0.566 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -70.1 | -43 | 177.4 | 165.6 | 0 | 0 | 0 | 0 | 111.6 | T964 V965 L966 I971 H972 | T964-S968 PolarHBondContact O-N 3.34Å; V965-S968 PolarHBondContact O-N 3.05Å; L966-S968 PolarHBondContact O-N 3.13Å; S968-I971 PolarHBondContact O-N 2.94Å; S968-H972 PolarHBondContact O-N 3.13Å; S968-H972 VanDerWaalsContact O-N 3.08Å |
| 969 | L | 61.7 | Low | 62.6 | Low | 44 Ų | 44 | 78.1 Ų | 78.1 | 23% | 0.23 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -65.1 | -41.9 | 178.7 | -125.9 | 76.4 | 0 | 0 | 0 | 111.8 | R952 V965 L966 H972 Q973 | R952-L969 VanDerWaalsContact NH2-CD2 3.3Å; R952-L969 VanDerWaalsContact NH2-CG 3.33Å; V965-L969 HydrophobicContact CG1-CD1 4.4Å; V965-L969 WeakPolarHBondContact O-CB 3.39Å; V965-L969 PolarHBondContact O-N 2.87Å; L966-L969 PolarHBondContact O-N 3.09Å; L969-H972 PolarHBondContact O-N 3.44Å; L969-Q973 WeakPolarHBondContact O-CG 3.37Å; L969-Q973 PolarHBondContact O-N 2.95Å |
| 970 | E | 63.8 | Low | 63.5 | Low | 91 Ų | 91 | 72.2 Ų | 72.2 | 43% | 0.425 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -61.1 | -43.4 | 176.7 | -84 | -177.6 | 153.9 | 0 | 0 | 111.3 | L966 Q973 Q974 | L966-E970 VanDerWaalsContact O-CB 3.26Å; L966-E970 WeakPolarHBondContact O-CB 3.36Å; L966-E970 VanDerWaalsContact O-CG 3.31Å; L966-E970 WeakPolarHBondContact O-CG 3.45Å; L966-E970 PolarHBondContact O-N 2.77Å; E970-Q973 PolarHBondContact O-N 2.88Å; E970-Q974 WeakPolarHBondContact O-CG 3.01Å; E970-Q974 PolarHBondContact O-N 2.81Å |
| 971 | I | 65.4 | Low | 64.6 | Low | 109 Ų | 109 | 71.2 Ų | 71.2 | 56% | 0.559 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -61.6 | -47.5 | 176.3 | -69.6 | 167 | 0 | 0 | 0 | 110.3 | T967 S968 Q973 Q974 L975 | T967-I971 WeakPolarHBondContact O-CD1 3.48Å; T967-I971 VanDerWaalsContact O-CG1 3.27Å; T967-I971 WeakPolarHBondContact O-CG1 3.05Å; T967-I971 PolarHBondContact O-N 3.25Å; S968-I971 PolarHBondContact O-N 2.94Å; I971-Q973 VanDerWaalsContact C-N 3.31Å; I971-Q973 PolarHBondContact O-N 3.5Å; I971-Q974 PolarHBondContact O-N 3.37Å; I971-L975 HydrophobicContact CG2-CD1 3.89Å; I971-L975 HydrophobicContact CG2-CG 4.36Å; I971-L975 VanDerWaalsContact O-CG 3.32Å; I971-L975 WeakPolarHBondContact O-CG 3.4Å; I971-L975 PolarHBondContact O-N 3.49Å |
| 972 | H | 67.8 | Low | 65.4 | Low | 93 Ų | 93 | 69.8 Ų | 69.8 | 43% | 0.431 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -59.6 | -42.1 | 179.3 | -172.9 | 71.3 | 0 | 0 | 0 | 112 | S968 L969 L975 M976 | S968-H972 PolarHBondContact O-N 3.13Å; S968-H972 VanDerWaalsContact O-N 3.08Å; L969-H972 PolarHBondContact O-N 3.44Å; H972-L975 PolarHBondContact O-N 3.32Å; H972-M976 WeakPolarHBondContact O-CB 3.32Å; H972-M976 PolarHBondContact O-N 3.46Å |
| 973 | Q | 67.7 | Low | 66.3 | Low | 14 Ų | 14 | 67 Ų | 67 | 7% | 0.065 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -68.8 | -37.4 | 177.5 | -72.1 | -169.4 | -51.8 | 0 | 0 | 113.4 | R952 L969 E970 I971 M976 I977 P990 | R952-Q973 VanDerWaalsContact NH1-CD 3.26Å; R952-Q973 VanDerWaalsContact NH1-CG 3.27Å; R952-Q973 VanDerWaalsContact NH1-NE2 3.1Å; L969-Q973 WeakPolarHBondContact O-CG 3.37Å; L969-Q973 PolarHBondContact O-N 2.95Å; E970-Q973 PolarHBondContact O-N 2.88Å; I971-Q973 VanDerWaalsContact C-N 3.31Å; I971-Q973 PolarHBondContact O-N 3.5Å; Q973-M976 HydrophobicContact CG-CE 4.19Å; Q973-M976 PolarHBondContact O-N 3.21Å; Q973-I977 WeakPolarHBondContact O-CG1 3.42Å; Q973-I977 PolarHBondContact O-N 2.77Å; Q973-P990 HydrophobicContact CB-CG 4.29Å; Q973-P990 VanDerWaalsContact OE1-CB 3.26Å |
| 974 | Q | 68.8 | Low | 67 | Low | 71 Ų | 71 | 59.1 Ų | 59.1 | 33% | 0.332 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -67.9 | -39.1 | 176 | -72.1 | -148.8 | 4.6 | 0 | 0 | 111.7 | E970 I971 I977 I978 | E970-Q974 WeakPolarHBondContact O-CG 3.01Å; E970-Q974 PolarHBondContact O-N 2.81Å; I971-Q974 PolarHBondContact O-N 3.37Å; Q974-I977 PolarHBondContact O-N 3.42Å; Q974-I978 WeakPolarHBondContact O-CD1 3.42Å; Q974-I978 VanDerWaalsContact O-CG1 3.23Å; Q974-I978 WeakPolarHBondContact O-CG1 3.44Å; Q974-I978 PolarHBondContact O-N 2.89Å |
| 975 | L | 72.8 | Confident | 67.7 | Low | 92 Ų | 92 | 54.2 Ų | 54.2 | 48% | 0.482 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -60.1 | -46.6 | 171.8 | -70.2 | 170.7 | 0 | 0 | 0 | 111.1 | I971 H972 I977 I978 D979 | I971-L975 HydrophobicContact CG2-CD1 3.89Å; I971-L975 HydrophobicContact CG2-CG 4.36Å; I971-L975 VanDerWaalsContact O-CG 3.32Å; I971-L975 WeakPolarHBondContact O-CG 3.4Å; I971-L975 PolarHBondContact O-N 3.49Å; H972-L975 PolarHBondContact O-N 3.32Å; L975-I977 VanDerWaalsContact C-N 3.34Å; L975-I977 PolarHBondContact O-N 2.93Å; L975-I978 WeakPolarHBondContact O-CA 3.28Å; L975-I978 WeakPolarHBondContact O-CB 3.26Å; L975-I978 PolarHBondContact O-N 3.29Å; L975-I978 VanDerWaalsContact O-N 3.09Å; L975-D979 PolarHBondContact O-N 3.49Å |
| 976 | M | 74.7 | Confident | 68.5 | Low | 7 Ų | 7 | 54.7 Ų | 54.7 | 3% | 0.034 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -62.5 | -37.8 | 177.3 | -172.1 | 173 | 41.5 | 0 | 0 | 112.7 | H972 Q973 D979 L980 L1040 L1078 I1082 | H972-M976 WeakPolarHBondContact O-CB 3.32Å; H972-M976 PolarHBondContact O-N 3.46Å; Q973-M976 HydrophobicContact CG-CE 4.19Å; Q973-M976 PolarHBondContact O-N 3.21Å; M976-D979 PolarHBondContact O-N 2.99Å; M976-L980 HydrophobicContact CG-CD1 4.49Å; M976-L980 WeakPolarHBondContact O-CB 3.34Å; M976-L980 VanDerWaalsContact O-CG 3.28Å; M976-L980 WeakPolarHBondContact O-CG 3.39Å; M976-L980 PolarHBondContact O-N 2.92Å; M976-L1040 HydrophobicContact CE-CD1 3.32Å; M976-L1040 HydrophobicContact SD-CD1 4.04Å; M976-L1078 HydrophobicContact CG-CD2 3.49Å; M976-L1078 VanDerWaalsContact CG-CD2 3.49Å; M976-L1078 HydrophobicContact SD-CD2 3.45Å; M976-L1078 WeakPolarHBondContact SD-CD2 3.47Å; M976-I1082 HydrophobicContact CG-CD1 3.7Å |
| 977 | I | 75.4 | Confident | 69.3 | Low | 15 Ų | 15 | 52.9 Ų | 52.9 | 8% | 0.077 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -65.8 | -39 | 173 | -74.3 | 169.2 | 0 | 0 | 0 | 111.4 | L950 Q973 Q974 L975 D979 L980 R981 C987 G989 | L950-I977 HydrophobicContact CD1-CD1 3.82Å; L950-I977 HydrophobicContact CD1-CG1 3.4Å; Q973-I977 WeakPolarHBondContact O-CG1 3.42Å; Q973-I977 PolarHBondContact O-N 2.77Å; Q974-I977 PolarHBondContact O-N 3.42Å; L975-I977 VanDerWaalsContact C-N 3.34Å; L975-I977 PolarHBondContact O-N 2.93Å; I977-D979 VanDerWaalsContact C-N 3.33Å; I977-L980 PolarHBondContact O-N 3.47Å; I977-R981 HydrophobicContact CG2-CG 4.43Å; I977-R981 WeakPolarHBondContact O-CB 3.28Å; I977-R981 VanDerWaalsContact O-CG 3.27Å; I977-R981 WeakPolarHBondContact O-CG 2.78Å; I977-R981 PolarHBondContact O-N 3.24Å; I977-C987 HydrophobicContact CG1-CB 4.4Å; I977-C987 HydrophobicContact CG2-CB 4.19Å; I977-G989 VanDerWaalsContact CD1-O 3.3Å; I977-G989 WeakPolarHBondContact CD1-O 3.4Å |
| 978 | I | 71.7 | Confident | 69.9 | Low | 47 Ų | 47 | 50.2 Ų | 50.2 | 24% | 0.241 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62.7 | -43.8 | 175.5 | -70.2 | 162.4 | 0 | 0 | 0 | 109.8 | L930 Q974 L975 R981 R982 | L930-I978 HydrophobicContact CD2-CD1 4.17Å; Q974-I978 WeakPolarHBondContact O-CD1 3.42Å; Q974-I978 VanDerWaalsContact O-CG1 3.23Å; Q974-I978 WeakPolarHBondContact O-CG1 3.44Å; Q974-I978 PolarHBondContact O-N 2.89Å; L975-I978 WeakPolarHBondContact O-CA 3.28Å; L975-I978 WeakPolarHBondContact O-CB 3.26Å; L975-I978 PolarHBondContact O-N 3.29Å; L975-I978 VanDerWaalsContact O-N 3.09Å; I978-R981 PolarHBondContact O-N 3.33Å; I978-R982 WeakPolarHBondContact O-CB 2.94Å; I978-R982 WeakPolarHBondContact O-CG 3.35Å; I978-R982 PolarHBondContact O-N 3.09Å |
| 979 | D | 77.6 | Confident | 70.3 | Confident | 43 Ų | 43 | 47.5 Ų | 47.5 | 23% | 0.23 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -68.1 | -41.1 | 178.5 | -69.1 | -31.5 | 0 | 0 | 0 | 112.2 | L975 M976 I977 R981 R982 L983 I1082 | L975-D979 PolarHBondContact O-N 3.49Å; M976-D979 PolarHBondContact O-N 2.99Å; I977-D979 VanDerWaalsContact C-N 3.33Å; D979-R981 VanDerWaalsContact C-N 3.34Å; D979-R981 PolarHBondContact O-N 3.22Å; D979-R982 VanDerWaalsContact O-CB 3.3Å; D979-R982 WeakPolarHBondContact O-CB 3.4Å; D979-R982 PolarHBondContact O-N 3.35Å; D979-R982 IonicContact OD1-NH1 2.63Å; D979-R982 PolarHBondContact OD1-NH1 3.49Å; D979-L983 WeakPolarHBondContact O-CG 3.35Å; D979-L983 PolarHBondContact O-N 3.28Å; D979-I1082 HydrophobicContact CB-CB 4.37Å; D979-I1082 HydrophobicContact CB-CD1 3.77Å; D979-I1082 HydrophobicContact CB-CG1 3.81Å; D979-I1082 HydrophobicContact CB-CG2 3.64Å |
| 980 | L | 74.9 | Confident | 70.6 | Confident | 1 Ų | 1 | 47.9 Ų | 47.9 | 1% | 0.005 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63.4 | -38.9 | 173.5 | -73.6 | 173.5 | 0 | 0 | 0 | 112.5 | L943 L948 L950 M976 I977 L983 G984 S985 C987 L1078 I1082 | L943-L980 HydrophobicContact CD1-CB 4.45Å; L943-L980 HydrophobicContact CD1-CD2 3.56Å; L948-L980 HydrophobicContact CD1-CB 4.47Å; L948-L980 HydrophobicContact CD1-CD1 3.88Å; L948-L980 HydrophobicContact CD1-CD2 3.6Å; L948-L980 HydrophobicContact CD1-CG 4.19Å; L950-L980 HydrophobicContact CD1-CD1 4.28Å; L950-L980 HydrophobicContact CD2-CD1 4.16Å; M976-L980 HydrophobicContact CG-CD1 4.49Å; M976-L980 WeakPolarHBondContact O-CB 3.34Å; M976-L980 VanDerWaalsContact O-CG 3.28Å; M976-L980 WeakPolarHBondContact O-CG 3.39Å; M976-L980 PolarHBondContact O-N 2.92Å; I977-L980 PolarHBondContact O-N 3.47Å; L980-L983 CarbonylContact O-C 3.33Å; L980-L983 PolarHBondContact O-N 3.5Å; L980-G984 PolarHBondContact O-N 2.84Å; L980-S985 WeakPolarHBondContact O-CB 3.47Å; L980-S985 PolarHBondContact O-N 3.15Å; L980-S985 VanDerWaalsContact O-N 3.09Å; L980-C987 WeakPolarHBondContact CB-SG 3.3Å; L980-C987 VanDerWaalsContact CD1-SG 3.56Å; L980-L1078 HydrophobicContact CD1-CD1 4.05Å; L980-L1078 HydrophobicContact CD1-CD2 3.69Å; L980-L1078 HydrophobicContact CD1-CG 4.31Å; L980-L1078 HydrophobicContact CD2-CD1 4.08Å; L980-L1078 HydrophobicContact CD2-CD2 3.73Å; L980-L1078 HydrophobicContact CD2-CG 3.85Å; L980-L1078 HydrophobicContact CG-CD2 3.85Å; L980-L1078 HydrophobicContact CG-CG 4.46Å; L980-I1082 HydrophobicContact CG-CD1 4.42Å |
| 981 | R | 74.4 | Confident | 70.7 | Confident | 141 Ų | 141 | 43.9 Ų | 43.9 | 53% | 0.532 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -68.3 | -36.4 | 174.5 | -75 | 176.7 | 178.5 | 177.6 | 1.1 | 111.8 | I977 I978 D979 L983 G984 | I977-R981 HydrophobicContact CG2-CG 4.43Å; I977-R981 WeakPolarHBondContact O-CB 3.28Å; I977-R981 VanDerWaalsContact O-CG 3.27Å; I977-R981 WeakPolarHBondContact O-CG 2.78Å; I977-R981 PolarHBondContact O-N 3.24Å; I978-R981 PolarHBondContact O-N 3.33Å; D979-R981 VanDerWaalsContact C-N 3.34Å; D979-R981 PolarHBondContact O-N 3.22Å; R981-L983 PolarHBondContact O-N 3.45Å; R981-G984 PolarHBondContact O-N 2.95Å |
| 982 | R | 69.9 | Low | 70.7 | Confident | 109 Ų | 109 | 39.9 Ų | 39.9 | 41% | 0.411 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -58.6 | -35.1 | 170.1 | -85.9 | 172.4 | 148 | -179.9 | -6.9 | 112.2 | M937 V939 L940 I978 D979 G984 | M937-R982 HydrophobicContact CE-CG 3.56Å; M937-R982 PolarHBondContact SD-NE 3Å; M937-R982 PolarHBondContact SD-NH2 3.39Å; V939-R982 WeakPolarHBondContact CA-O 3.29Å; V939-R982 WeakPolarHBondContact CG1-O 3.4Å; L940-R982 PolarHBondContact N-O 3.26Å; I978-R982 WeakPolarHBondContact O-CB 2.94Å; I978-R982 WeakPolarHBondContact O-CG 3.35Å; I978-R982 PolarHBondContact O-N 3.09Å; D979-R982 VanDerWaalsContact O-CB 3.3Å; D979-R982 WeakPolarHBondContact O-CB 3.4Å; D979-R982 PolarHBondContact O-N 3.35Å; D979-R982 IonicContact OD1-NH1 2.63Å; D979-R982 PolarHBondContact OD1-NH1 3.49Å; R982-G984 VanDerWaalsContact C-N 3.26Å; R982-G984 PolarHBondContact O-N 2.95Å |
| 983 | L | 71.1 | Confident | 70.5 | Confident | 5 Ų | 5 | 35.7 Ų | 35.7 | 3% | 0.026 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | 0.5 | 176.6 | -64.3 | 176.1 | 0 | 0 | 0 | 113.4 | L940 H941 P942 L943 D979 L980 R981 I1082 | L940-L983 HydrophobicContact CB-CD2 4.31Å; L940-L983 HydrophobicContact CD1-CD2 4.11Å; H941-L983 CarbonylContact C-O 3.2Å; P942-L983 WeakPolarHBondContact CD-O 3.43Å; P942-L983 HydrophobicContact CG-CB 3.99Å; P942-L983 HydrophobicContact CG-CD2 3.72Å; P942-L983 HydrophobicContact CG-CG 4.36Å; L943-L983 WeakPolarHBondContact CA-O 3.28Å; L943-L983 HydrophobicContact CB-CB 4.36Å; L943-L983 WeakPolarHBondContact CB-O 3.47Å; L943-L983 HydrophobicContact CD1-CB 3.41Å; L943-L983 VanDerWaalsContact CD1-CB 3.41Å; L943-L983 HydrophobicContact CD1-CD1 3.91Å; L943-L983 HydrophobicContact CD1-CG 4.33Å; L943-L983 HydrophobicContact CG-CB 3.61Å; L943-L983 HydrophobicContact CG-CD1 4.3Å; L943-L983 PolarHBondContact N-O 3.14Å; D979-L983 WeakPolarHBondContact O-CG 3.35Å; D979-L983 PolarHBondContact O-N 3.28Å; L980-L983 CarbonylContact O-C 3.33Å; L980-L983 PolarHBondContact O-N 3.5Å; R981-L983 PolarHBondContact O-N 3.45Å; L983-I1082 HydrophobicContact CD1-CG1 4.17Å |
| 984 | G | 68.4 | Low | 70.3 | Confident | 13 Ų | 13 | 42 Ų | 42 | 13% | 0.134 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 98.4 | 1.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | L943 T944 L980 R981 R982 | L943-G984 CarbonylContact O-C 3.49Å; T944-G984 WeakPolarHBondContact CA-O 3.25Å; L980-G984 PolarHBondContact O-N 2.84Å; R981-G984 PolarHBondContact O-N 2.95Å; R982-G984 VanDerWaalsContact C-N 3.26Å; R982-G984 PolarHBondContact O-N 2.95Å |
| 985 | S | 69.8 | Low | 69.9 | Low | 6 Ų | 6 | 45 Ų | 45 | 4% | 0.042 | 22% | 0.221 | C | C | . | . | trans | -79.6 | 143.7 | -179.7 | 152 | 0 | 0 | 0 | 0 | 112.8 | L943 Y946 L948 L980 C987 | L943-S985 WeakPolarHBondContact O-CA 3.31Å; Y946-S985 WeakPolarHBondContact O-CA 3.35Å; Y946-S985 PolarHBondContact O-OG 2.92Å; L948-S985 WeakPolarHBondContact CD1-OG 3.45Å; L948-S985 WeakPolarHBondContact CG-OG 3.5Å; L980-S985 WeakPolarHBondContact O-CB 3.47Å; L980-S985 PolarHBondContact O-N 3.15Å; L980-S985 VanDerWaalsContact O-N 3.09Å; S985-C987 PolarHBondContact OG-SG 3.37Å; S985-C987 VanDerWaalsContact OG-SG 3.35Å | ||
| 986 | M | 70.4 | Confident | 69.1 | Low | 68 Ų | 68 | 43.7 Ų | 43.7 | 34% | 0.335 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 127.5 | 156.8 | -101.3 | 169.1 | 77.7 | 0 | 0 | 109.2 | Y946 I947 L948 L1013 | Y946-M986 PolarHBondContact O-N 3.26Å; I947-M986 CarbonylContact C-O 3.58Å; I947-M986 WeakPolarHBondContact CA-O 3.15Å; I947-M986 HydrophobicContact CB-CB 4.3Å; I947-M986 HydrophobicContact CD1-CE 3.58Å; I947-M986 HydrophobicContact CD1-SD 4.14Å; I947-M986 HydrophobicContact CG1-CB 3.88Å; I947-M986 HydrophobicContact CG1-CE 4.19Å; I947-M986 HydrophobicContact CG1-SD 4.25Å; I947-M986 HydrophobicContact CG2-CB 4.32Å; L948-M986 PolarHBondContact N-O 2.93Å; M986-L1013 HydrophobicContact CE-CD2 3.53Å |
| 987 | C | 73.4 | Confident | 68.1 | Low | 3 Ų | 3 | 51.2 Ų | 51.2 | 2% | 0.02 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 129.1 | 177.4 | -69.8 | 0 | 0 | 0 | 0 | 111.1 | L948 L950 I977 L980 S985 | L948-C987 CarbonylContact O-C 3.58Å; L948-C987 WeakPolarHBondContact O-CA 3.21Å; L950-C987 HydrophobicContact CD1-CB 4.15Å; I977-C987 HydrophobicContact CG1-CB 4.4Å; I977-C987 HydrophobicContact CG2-CB 4.19Å; L980-C987 WeakPolarHBondContact CB-SG 3.3Å; L980-C987 VanDerWaalsContact CD1-SG 3.56Å; S985-C987 PolarHBondContact OG-SG 3.37Å; S985-C987 VanDerWaalsContact OG-SG 3.35Å |
| 988 | I | 69.5 | Low | 67.1 | Low | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.005 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 121.1 | 171.1 | -58.5 | -178.6 | 0 | 0 | 0 | 107.4 | I947 L948 V949 L950 I991 T1009 Y1010 L1013 | I947-I988 HydrophobicContact CG2-CD1 3.54Å; I947-I988 HydrophobicContact CG2-CG1 3.77Å; L948-I988 PolarHBondContact O-N 2.83Å; V949-I988 CarbonylContact C-O 3.6Å; V949-I988 VanDerWaalsContact CA-O 3.28Å; V949-I988 WeakPolarHBondContact CA-O 3.47Å; V949-I988 HydrophobicContact CB-CB 4.42Å; V949-I988 HydrophobicContact CG1-CB 4.25Å; V949-I988 HydrophobicContact CG1-CG2 4.16Å; V949-I988 HydrophobicContact CG2-CB 4.17Å; V949-I988 HydrophobicContact CG2-CD1 4.22Å; L950-I988 PolarHBondContact N-O 3.21Å; I988-I991 HydrophobicContact CG2-CD1 4.36Å; I988-T1009 HydrophobicContact CG2-CG2 3.65Å; I988-Y1010 HydrophobicContact CD1-CD2 4.07Å; I988-L1013 HydrophobicContact CG1-CD1 4.24Å; I988-L1013 HydrophobicContact CG1-CD2 4.05Å |
| 989 | G | 67.8 | Low | 66.3 | Low | 24 Ų | 24 | 52.5 Ų | 52.5 | 25% | 0.247 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 123.6 | -172.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | I977 | I977-G989 VanDerWaalsContact CD1-O 3.3Å; I977-G989 WeakPolarHBondContact CD1-O 3.4Å |
| 990 | P | 66.9 | Low | 65.4 | Low | 53 Ų | 53 | 55.4 Ų | 55.4 | 34% | 0.344 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | cis | -74.5 | 133.6 | 8.6 | 31.4 | -32.8 | 0 | 0 | 0 | 112.4 | L950 Q973 | L950-P990 CarbonylContact O-C 3.52Å; L950-P990 WeakPolarHBondContact O-CA 3.41Å; Q973-P990 HydrophobicContact CB-CG 4.29Å; Q973-P990 VanDerWaalsContact OE1-CB 3.26Å |
| 991 | I | 66.3 | Low | 64.8 | Low | 6 Ų | 6 | 59.8 Ų | 59.8 | 3% | 0.031 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 98.4 | 174.8 | -62.3 | 174.3 | 0 | 0 | 0 | 107.7 | V949 L950 I951 R952 I988 L1005 L1006 | V949-I991 HydrophobicContact CG1-CD1 4.17Å; L950-I991 PolarHBondContact O-N 3.38Å; I951-I991 HydrophobicContact CG1-CB 4.3Å; I951-I991 HydrophobicContact CG1-CD1 4.43Å; R952-I991 PolarHBondContact N-O 3.08Å; I988-I991 HydrophobicContact CG2-CD1 4.36Å; I991-L1005 HydrophobicContact CG2-CD2 3.69Å; I991-L1006 HydrophobicContact CD1-CD2 3.41Å; I991-L1006 VanDerWaalsContact CD1-CD2 3.41Å; I991-L1006 HydrophobicContact CD1-CG 4.31Å |
| 992 | G | 65.8 | Low | 64.4 | Low | 25 Ų | 25 | 53.7 Ų | 53.7 | 26% | 0.258 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 125.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | R952 | R952-G992 CarbonylContact O-C 3.59Å; R952-G992 WeakPolarHBondContact O-CA 3.34Å |
| 993 | I | 64.3 | Low | 64.4 | Low | 6 Ų | 6 | 51.5 Ų | 51.5 | 3% | 0.031 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 101.6 | 177.6 | -51.6 | -175 | 0 | 0 | 0 | 108.9 | I951 R952 L954 F955 L1002 W1051 | I951-I993 HydrophobicContact CG2-CD1 3.3Å; I951-I993 HydrophobicContact CG2-CG1 3.89Å; R952-I993 PolarHBondContact O-N 3.23Å; L954-I993 PolarHBondContact N-O 3.11Å; F955-I993 HydrophobicContact CE1-CB 4.36Å; F955-I993 HydrophobicContact CE1-CG2 3.85Å; F955-I993 HydrophobicContact CZ-CG2 4.33Å; I993-L1002 HydrophobicContact CD1-CD1 3.47Å; I993-L1002 VanDerWaalsContact CD1-CD1 3.47Å; I993-L1002 HydrophobicContact CG1-CD1 3.98Å; I993-W1051 HydrophobicContact CD1-CE3 4.36Å; I993-W1051 HydrophobicContact CD1-CH2 3.09Å; I993-W1051 HydrophobicContact CD1-CZ2 3.42Å; I993-W1051 VanDerWaalsContact CD1-CZ2 3.42Å; I993-W1051 HydrophobicContact CD1-CZ3 3.6Å; I993-W1051 HydrophobicContact CG2-CZ2 4.07Å |
| 994 | Y | 62.5 | Low | 64.4 | Low | 145 Ų | 145 | 54.3 Ų | 54.3 | 57% | 0.569 | 31% | 0.305 | S | S | * | . | trans | -83 | -21.7 | -169.6 | -63 | -86.3 | 0 | 0 | 0 | 115.3 | L954 | L954-Y994 HydrophobicContact CB-CD1 4.16Å; L954-Y994 HydrophobicContact CD1-CD1 3.75Å; L954-Y994 HydrophobicContact CD1-CE1 3.35Å; L954-Y994 HydrophobicContact CD1-CE2 4.29Å; L954-Y994 HydrophobicContact CD1-CG 4.39Å | ||
| 995 | K | 60.7 | Low | 64.3 | Low | 134 Ų | 134 | 57 Ų | 57 | 58% | 0.583 | 32% | 0.316 | S | S | * | . | trans | -144.4 | 143.7 | -179.9 | -84.1 | -171 | 173.7 | -173.5 | 0 | 110.5 | E997 | K995-E997 PolarHBondContact O-N 3.35Š| ||
| 996 | P | 55.5 | Low | 64.3 | Low | 66 Ų | 66 | 56.7 Ų | 56.7 | 43% | 0.429 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | -23.3 | 173.6 | -22 | 31.1 | 0 | 0 | 0 | 113.7 | F955 V999 | F955-P996 HydrophobicContact CD1-CG 4.29Å; P996-V999 WeakPolarHBondContact O-CG2 3.34Å |
| 997 | E | 54 | Low | 64.3 | Low | 165 Ų | 165 | 56 Ų | 56 | 77% | 0.771 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.5 | -11.8 | -168 | -64 | 174.5 | 160.4 | 0 | 0 | 115 | K995 V999 | K995-E997 PolarHBondContact O-N 3.35Å; E997-V999 PolarHBondContact O-N 3.09Å |
| 998 | S | 54.9 | Low | 64 | Low | 51 Ų | 51 | 60.8 Ų | 60.8 | 36% | 0.357 | 34% | 0.335 | S | S | . | . | trans | -80.8 | 32.9 | -175.8 | 75.7 | 0 | 0 | 0 | 0 | 114.1 | S1000 N1001 | S998-S1000 PolarHBondContact O-N 3.24Å; S998-S1000 VanDerWaalsContact O-N 3.17Å; S998-N1001 PolarHBondContact O-N 2.86Å | ||
| 999 | V | 54.4 | Low | 63.7 | Low | 38 Ų | 38 | 62.3 Ų | 62.3 | 23% | 0.23 | 35% | 0.345 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -26.8 | -169.3 | 176.6 | 0 | 0 | 0 | 0 | 112.8 | P996 E997 N1001 L1002 N1055 I1058 | P996-V999 WeakPolarHBondContact O-CG2 3.34Å; E997-V999 PolarHBondContact O-N 3.09Å; V999-N1001 PolarHBondContact O-N 3.33Å; V999-L1002 PolarHBondContact O-N 3.46Å; V999-N1055 WeakPolarHBondContact CG1-OD1 3.44Å; V999-N1055 WeakPolarHBondContact CG2-OD1 3.41Å; V999-I1058 HydrophobicContact CG1-CD1 3.09Å |
| 1000 | S | 58.5 | Low | 63.5 | Low | 103 Ų | 103 | 64.1 Ų | 64.1 | 72% | 0.72 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -62.6 | -26.9 | 175.4 | 58.8 | 0 | 0 | 0 | 0 | 113.4 | S998 | S998-S1000 PolarHBondContact O-N 3.24Å; S998-S1000 VanDerWaalsContact O-N 3.17Å |
| 1001 | N | 63.2 | Low | 63.5 | Low | 94 Ų | 94 | 67.3 Ų | 67.3 | 50% | 0.503 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -86.3 | -15.5 | -178.9 | -82.5 | -8.4 | 0 | 0 | 0 | 113.2 | S998 V999 Q1003 S1004 L1005 | S998-N1001 PolarHBondContact O-N 2.86Å; V999-N1001 PolarHBondContact O-N 3.33Å; N1001-Q1003 PolarHBondContact O-N 3.25Å; N1001-S1004 PolarHBondContact O-N 2.9Å; N1001-L1005 VanDerWaalsContact O-CB 3.32Å; N1001-L1005 WeakPolarHBondContact O-CB 3.5Å; N1001-L1005 PolarHBondContact O-N 2.64Å |
| 1002 | L | 65.6 | Low | 63 | Low | 12 Ų | 12 | 71.6 Ų | 71.6 | 6% | 0.063 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -64.1 | -48.6 | -170.4 | -153.9 | 90.4 | 0 | 0 | 0 | 112.1 | I993 V999 L1005 L1006 W1051 | I993-L1002 HydrophobicContact CD1-CD1 3.47Å; I993-L1002 VanDerWaalsContact CD1-CD1 3.47Å; I993-L1002 HydrophobicContact CG1-CD1 3.98Å; V999-L1002 PolarHBondContact O-N 3.46Å; L1002-L1005 PolarHBondContact O-N 2.92Å; L1002-L1006 HydrophobicContact CD2-CD1 3.91Å; L1002-L1006 HydrophobicContact CG-CD1 4.05Å; L1002-L1006 WeakPolarHBondContact O-CB 3.3Å; L1002-L1006 WeakPolarHBondContact O-CD1 3.3Å; L1002-L1006 VanDerWaalsContact O-CG 3.23Å; L1002-L1006 WeakPolarHBondContact O-CG 3.42Å; L1002-L1006 PolarHBondContact O-N 2.85Å; L1002-W1051 HydrophobicContact CD1-CH2 3.93Å; L1002-W1051 HydrophobicContact CD1-CZ2 3.85Å; L1002-W1051 HydrophobicContact CD2-CH2 3.84Å; L1002-W1051 HydrophobicContact CD2-CZ2 4.15Å |
| 1003 | Q | 68.6 | Low | 62.5 | Low | 63 Ų | 63 | 72.5 Ų | 72.5 | 29% | 0.294 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -68.7 | -36.2 | -179.4 | -168 | 152.8 | 2.8 | 0 | 0 | 112 | N1001 N1007 I1058 | N1001-Q1003 PolarHBondContact O-N 3.25Å; Q1003-N1007 WeakPolarHBondContact O-CB 3.36Å; Q1003-N1007 VanDerWaalsContact O-CG 3.28Å; Q1003-N1007 PolarHBondContact O-N 2.92Å; Q1003-I1058 HydrophobicContact CB-CG2 4.26Å |
| 1004 | S | 71.4 | Confident | 62.1 | Low | 64 Ų | 64 | 77.3 Ų | 77.3 | 45% | 0.448 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -66 | -41 | 173.1 | -169.6 | 0 | 0 | 0 | 0 | 111.7 | N1001 M1008 | N1001-S1004 PolarHBondContact O-N 2.9Å; S1004-M1008 WeakPolarHBondContact O-CB 3.21Å; S1004-M1008 PolarHBondContact O-N 3.14Å |
| 1005 | L | 67.7 | Low | 61.5 | Low | 69 Ų | 69 | 73.3 Ų | 73.3 | 36% | 0.361 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -65 | -46.9 | 177.4 | -131.9 | 96.8 | 0 | 0 | 0 | 110.1 | I991 N1001 L1002 N1007 M1008 T1009 | I991-L1005 HydrophobicContact CG2-CD2 3.69Å; N1001-L1005 VanDerWaalsContact O-CB 3.32Å; N1001-L1005 WeakPolarHBondContact O-CB 3.5Å; N1001-L1005 PolarHBondContact O-N 2.64Å; L1002-L1005 PolarHBondContact O-N 2.92Å; L1005-N1007 PolarHBondContact O-N 3.08Å; L1005-M1008 PolarHBondContact O-N 2.67Å; L1005-T1009 WeakPolarHBondContact O-CB 3.23Å; L1005-T1009 PolarHBondContact O-N 3.18Å; L1005-T1009 PolarHBondContact O-OG1 3.41Å |
| 1006 | L | 68.3 | Low | 60.6 | Low | 0 Ų | 0 | 71.6 Ų | 71.6 | 0% | 0 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -60.9 | -45.3 | 179.1 | -75 | 165.2 | 0 | 0 | 0 | 111.4 | V949 I991 L1002 T1009 Y1010 W1062 | V949-L1006 HydrophobicContact CG1-CD2 4.07Å; I991-L1006 HydrophobicContact CD1-CD2 3.41Å; I991-L1006 VanDerWaalsContact CD1-CD2 3.41Å; I991-L1006 HydrophobicContact CD1-CG 4.31Å; L1002-L1006 HydrophobicContact CD2-CD1 3.91Å; L1002-L1006 HydrophobicContact CG-CD1 4.05Å; L1002-L1006 WeakPolarHBondContact O-CB 3.3Å; L1002-L1006 WeakPolarHBondContact O-CD1 3.3Å; L1002-L1006 VanDerWaalsContact O-CG 3.23Å; L1002-L1006 WeakPolarHBondContact O-CG 3.42Å; L1002-L1006 PolarHBondContact O-N 2.85Å; L1006-T1009 PolarHBondContact O-N 3.19Å; L1006-Y1010 VanDerWaalsContact O-CB 3.31Å; L1006-Y1010 WeakPolarHBondContact O-CB 3.34Å; L1006-Y1010 PolarHBondContact O-N 3.29Å; L1006-W1062 HydrophobicContact CB-CD2 3.93Å; L1006-W1062 HydrophobicContact CB-CG 4.18Å; L1006-W1062 HydrophobicContact CB-CZ2 3.9Å; L1006-W1062 HydrophobicContact CD1-CB 4.45Å; L1006-W1062 HydrophobicContact CD1-CD2 3.82Å; L1006-W1062 HydrophobicContact CD1-CE3 3.94Å; L1006-W1062 HydrophobicContact CD1-CG 4.02Å; L1006-W1062 HydrophobicContact CD2-CD2 4.2Å; L1006-W1062 HydrophobicContact CD2-CE3 4.03Å; L1006-W1062 HydrophobicContact CD2-CH2 3.68Å; L1006-W1062 HydrophobicContact CD2-CZ2 3.87Å; L1006-W1062 HydrophobicContact CD2-CZ3 3.77Å; L1006-W1062 HydrophobicContact CG-CD2 4.21Å; L1006-W1062 HydrophobicContact CG-CE3 4.42Å; L1006-W1062 HydrophobicContact CG-CZ2 4.41Å |
| 1007 | N | 70.6 | Confident | 59.5 | Low | 55 Ų | 55 | 74.9 Ų | 74.9 | 29% | 0.294 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -65.2 | -42.5 | 175.1 | -75.2 | -7.9 | 0 | 0 | 0 | 112.5 | Q1003 L1005 T1009 Y1010 H1011 W1062 | Q1003-N1007 WeakPolarHBondContact O-CB 3.36Å; Q1003-N1007 VanDerWaalsContact O-CG 3.28Å; Q1003-N1007 PolarHBondContact O-N 2.92Å; L1005-N1007 PolarHBondContact O-N 3.08Å; N1007-T1009 VanDerWaalsContact C-N 3.34Å; N1007-T1009 PolarHBondContact O-N 3.17Å; N1007-Y1010 PolarHBondContact O-N 3.33Å; N1007-H1011 WeakPolarHBondContact O-CB 3.42Å; N1007-H1011 PolarHBondContact O-CD2 2.61Å; N1007-H1011 PolarHBondContact O-N 3.15Å; N1007-W1062 PolarHBondContact OD1-NE1 3.23Å |
| 1008 | M | 67.3 | Low | 58.4 | Low | 102 Ų | 102 | 71 Ų | 71 | 50% | 0.502 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -65.2 | -39.3 | 178.3 | -164.5 | -165 | -48.8 | 0 | 0 | 111.2 | S1004 L1005 N1012 | S1004-M1008 WeakPolarHBondContact O-CB 3.21Å; S1004-M1008 PolarHBondContact O-N 3.14Å; L1005-M1008 PolarHBondContact O-N 2.67Å; M1008-N1012 VanDerWaalsContact O-CB 3.27Å; M1008-N1012 WeakPolarHBondContact O-CB 3.2Å; M1008-N1012 PolarHBondContact O-N 3.37Å; M1008-N1012 PolarHBondContact O-ND2 3.36Å |
| 1009 | T | 63.4 | Low | 57.5 | Low | 34 Ų | 34 | 77 Ų | 77 | 21% | 0.209 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -70 | -40.5 | 177.9 | -40.4 | 0 | 0 | 0 | 0 | 110.9 | I988 L1005 L1006 N1007 L1013 | I988-T1009 HydrophobicContact CG2-CG2 3.65Å; L1005-T1009 WeakPolarHBondContact O-CB 3.23Å; L1005-T1009 PolarHBondContact O-N 3.18Å; L1005-T1009 PolarHBondContact O-OG1 3.41Å; L1006-T1009 PolarHBondContact O-N 3.19Å; N1007-T1009 VanDerWaalsContact C-N 3.34Å; N1007-T1009 PolarHBondContact O-N 3.17Å; T1009-L1013 PolarHBondContact O-N 3.41Å |
| 1010 | Y | 63.8 | Low | 56.7 | Low | 62 Ų | 62 | 78.7 Ų | 78.7 | 24% | 0.243 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -62.9 | -45.4 | 174.3 | -175.9 | -102.8 | 0 | 0 | 0 | 111.9 | I988 L1006 N1007 L1013 L1014 F1066 | I988-Y1010 HydrophobicContact CD1-CD2 4.07Å; L1006-Y1010 VanDerWaalsContact O-CB 3.31Å; L1006-Y1010 WeakPolarHBondContact O-CB 3.34Å; L1006-Y1010 PolarHBondContact O-N 3.29Å; N1007-Y1010 PolarHBondContact O-N 3.33Å; Y1010-L1013 WeakPolarHBondContact O-CB 3.13Å; Y1010-L1013 PolarHBondContact O-N 2.89Å; Y1010-L1014 HydrophobicContact CD1-CD1 3.92Å; Y1010-L1014 HydrophobicContact CE1-CD1 3.43Å; Y1010-L1014 VanDerWaalsContact CE1-CD1 3.43Å; Y1010-L1014 HydrophobicContact CE2-CD1 4.49Å; Y1010-L1014 PolarHBondContact O-N 3.18Å; Y1010-F1066 HydrophobicContact CE2-CE1 4.08Å; Y1010-F1066 HydrophobicContact CE2-CZ 4.49Å |
| 1011 | H | 66.1 | Low | 55.5 | Low | 120 Ų | 120 | 78 Ų | 78 | 56% | 0.556 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -66.2 | -42.2 | 176.2 | -86.8 | -64.4 | 0 | 0 | 0 | 113 | N1007 L1013 L1014 S1015 | N1007-H1011 WeakPolarHBondContact O-CB 3.42Å; N1007-H1011 PolarHBondContact O-CD2 2.61Å; N1007-H1011 PolarHBondContact O-N 3.15Å; H1011-L1013 PolarHBondContact O-N 2.94Å; H1011-L1014 CarbonylContact O-C 3.55Å; H1011-L1014 PolarHBondContact O-N 3.47Å; H1011-L1014 VanDerWaalsContact O-N 3.1Å; H1011-S1015 VanDerWaalsContact O-CB 3.26Å; H1011-S1015 WeakPolarHBondContact O-CB 3.35Å; H1011-S1015 PolarHBondContact O-N 3.38Å; H1011-S1015 PolarHBondContact O-OG 3.42Å |
| 1012 | N | 57.3 | Low | 54.1 | Low | 96 Ų | 96 | 80.3 Ų | 80.3 | 51% | 0.513 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -62.4 | -32.1 | 175.8 | -77.4 | -22.1 | 0 | 0 | 0 | 112.3 | M1008 V1016 | M1008-N1012 VanDerWaalsContact O-CB 3.27Å; M1008-N1012 WeakPolarHBondContact O-CB 3.2Å; M1008-N1012 PolarHBondContact O-N 3.37Å; M1008-N1012 PolarHBondContact O-ND2 3.36Å; N1012-V1016 WeakPolarHBondContact O-CG2 3.06Å |
| 1013 | L | 55 | Low | 52.6 | Low | 43 Ų | 43 | 84.4 Ų | 84.4 | 23% | 0.225 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -68.3 | -36.6 | 174.4 | -125.1 | 95.8 | 0 | 0 | 0 | 112 | M986 I988 T1009 Y1010 H1011 | M986-L1013 HydrophobicContact CE-CD2 3.53Å; I988-L1013 HydrophobicContact CG1-CD1 4.24Å; I988-L1013 HydrophobicContact CG1-CD2 4.05Å; T1009-L1013 PolarHBondContact O-N 3.41Å; Y1010-L1013 WeakPolarHBondContact O-CB 3.13Å; Y1010-L1013 PolarHBondContact O-N 2.89Å; H1011-L1013 PolarHBondContact O-N 2.94Å |
| 1014 | L | 55.1 | Low | 50.9 | Low | 108 Ų | 108 | 86 Ų | 86 | 57% | 0.565 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -81.7 | -25.6 | 178.2 | -70.6 | 170.2 | 0 | 0 | 0 | 113.2 | Y1010 H1011 | Y1010-L1014 HydrophobicContact CD1-CD1 3.92Å; Y1010-L1014 HydrophobicContact CE1-CD1 3.43Å; Y1010-L1014 VanDerWaalsContact CE1-CD1 3.43Å; Y1010-L1014 HydrophobicContact CE2-CD1 4.49Å; Y1010-L1014 PolarHBondContact O-N 3.18Å; H1011-L1014 CarbonylContact O-C 3.55Å; H1011-L1014 PolarHBondContact O-N 3.47Å; H1011-L1014 VanDerWaalsContact O-N 3.1Å |
| 1015 | S | 51.2 | Low | 49.1 | Very low | 60 Ų | 60 | 90.5 Ų | 90.5 | 42% | 0.42 | 48% | 0.478 | S | S | . | . | trans | -93.3 | 14.2 | -173.4 | 76.7 | 0 | 0 | 0 | 0 | 114.5 | H1011 N1017 | H1011-S1015 VanDerWaalsContact O-CB 3.26Å; H1011-S1015 WeakPolarHBondContact O-CB 3.35Å; H1011-S1015 PolarHBondContact O-N 3.38Å; H1011-S1015 PolarHBondContact O-OG 3.42Å; S1015-N1017 VanDerWaalsContact C-N 3.28Å; S1015-N1017 PolarHBondContact O-N 3.42Å | ||
| 1016 | V | 40.7 | Very low | 47.6 | Very low | 99 Ų | 99 | 91.6 Ų | 91.6 | 60% | 0.6 | 49% | 0.491 | S | S | * | . | trans | -66.3 | 93.6 | 177.2 | -176.7 | 0 | 0 | 0 | 0 | 108.8 | N1012 | N1012-V1016 WeakPolarHBondContact O-CG2 3.06Š| ||
| 1017 | N | 32.5 | Very low | 46.1 | Very low | 134 Ų | 134 | 95 Ų | 95 | 72% | 0.717 | 51% | 0.509 | S | S | * | . | trans | -64.5 | 127.6 | -170.8 | -85.3 | -34.8 | 0 | 0 | 0 | 113.1 | S1015 H1019 | S1015-N1017 VanDerWaalsContact C-N 3.28Å; S1015-N1017 PolarHBondContact O-N 3.42Å; N1017-H1019 PolarHBondContact O-N 3.35Å | ||
| 1018 | S | 30.8 | Very low | 44.9 | Very low | 83 Ų | 83 | 95 Ų | 95 | 58% | 0.58 | 51% | 0.513 | S | S | * | . | S | Bend | trans | 60.6 | -1.3 | 141.1 | 70.8 | 0 | 0 | 0 | 0 | 122.8 | ||
| 1019 | H | 36.8 | Very low | 43.6 | Very low | 177 Ų | 177 | 96.4 Ų | 96.4 | 82% | 0.819 | 52% | 0.523 | S | S | * | . | S | Bend | trans | -121.9 | 7.2 | 176.9 | -76.7 | -56.5 | 0 | 0 | 0 | 116.6 | N1017 | N1017-H1019 PolarHBondContact O-N 3.35Š|
| 1020 | T | 37.7 | Very low | 42.4 | Very low | 74 Ų | 74 | 102 Ų | 102 | 45% | 0.454 | 55% | 0.551 | S | S | . | * | trans | -126.1 | 33.5 | -179.2 | 46.5 | 0 | 0 | 0 | 0 | 113.3 | D1022 M1024 | T1020-D1022 VanDerWaalsContact C-N 3.28Å; T1020-D1022 PolarHBondContact O-N 2.92Å; T1020-M1024 PolarHBondContact O-N 3.05Å | ||
| 1021 | N | 32.5 | Very low | 41.5 | Very low | 90 Ų | 90 | 100.2 Ų | 100.2 | 48% | 0.481 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -65.6 | -19.8 | -171.5 | -89.8 | -20.8 | 0 | 0 | 0 | 115.3 | R1025 | N1021-R1025 WeakPolarHBondContact O-CB 3.48Å; N1021-R1025 VanDerWaalsContact O-CD 3.3Å; N1021-R1025 WeakPolarHBondContact O-CD 3.49Å; N1021-R1025 WeakPolarHBondContact O-CG 3.47Å; N1021-R1025 PolarHBondContact O-N 3.13Å |
| 1022 | D | 32.6 | Very low | 40.6 | Very low | 142 Ų | 142 | 100.8 Ų | 100.8 | 76% | 0.759 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -91.8 | -28.5 | -177 | -69.2 | -26.7 | 0 | 0 | 0 | 114.3 | T1020 | T1020-D1022 VanDerWaalsContact C-N 3.28Å; T1020-D1022 PolarHBondContact O-N 2.92Å |
| 1023 | C | 34.3 | Very low | 40.1 | Very low | 98 Ų | 98 | 100.8 Ų | 100.8 | 66% | 0.662 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -82.6 | -34.5 | 177.6 | -133.5 | 0 | 0 | 0 | 0 | 112 | ||
| 1024 | M | 33.8 | Very low | 39.8 | Very low | 97 Ų | 97 | 99.3 Ų | 99.3 | 48% | 0.478 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -80.8 | -24.4 | 178.8 | -74.9 | -77.4 | -77.4 | 0 | 0 | 113.1 | T1020 S1026 L1027 S1028 | T1020-M1024 PolarHBondContact O-N 3.05Å; M1024-S1026 VanDerWaalsContact C-N 3.33Å; M1024-S1026 PolarHBondContact O-N 3.16Å; M1024-L1027 PolarHBondContact O-N 3.23Å; M1024-S1028 WeakPolarHBondContact O-CB 3.29Å; M1024-S1028 PolarHBondContact O-N 3.3Å; M1024-S1028 PolarHBondContact O-OG 3.06Å |
| 1025 | R | 32.8 | Very low | 39.7 | Very low | 158 Ų | 158 | 95.2 Ų | 95.2 | 60% | 0.596 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -69.3 | -25.6 | 177.4 | -88.9 | 178.7 | 174 | 167.6 | -3.8 | 114.1 | N1021 S1028 | N1021-R1025 WeakPolarHBondContact O-CB 3.48Å; N1021-R1025 VanDerWaalsContact O-CD 3.3Å; N1021-R1025 WeakPolarHBondContact O-CD 3.49Å; N1021-R1025 WeakPolarHBondContact O-CG 3.47Å; N1021-R1025 PolarHBondContact O-N 3.13Å; R1025-S1028 PolarHBondContact O-OG 3.09Å |
| 1026 | S | 36.2 | Very low | 39.8 | Very low | 91 Ų | 91 | 92.8 Ų | 92.8 | 64% | 0.636 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -76.7 | -30.5 | 171.7 | 83.8 | 0 | 0 | 0 | 0 | 111.9 | M1024 | M1024-S1026 VanDerWaalsContact C-N 3.33Å; M1024-S1026 PolarHBondContact O-N 3.16Å |
| 1027 | L | 37.2 | Very low | 40.5 | Very low | 71 Ų | 71 | 88.3 Ų | 88.3 | 37% | 0.372 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -80.3 | -32.5 | 178.3 | -75 | 160.3 | 0 | 0 | 0 | 113 | M1024 N1029 N1030 C1031 | M1024-L1027 PolarHBondContact O-N 3.23Å; L1027-N1029 VanDerWaalsContact C-N 3.31Å; L1027-N1029 PolarHBondContact O-N 2.73Å; L1027-N1030 PolarHBondContact O-N 2.92Å; L1027-C1031 WeakPolarHBondContact O-CB 3.08Å; L1027-C1031 PolarHBondContact O-N 2.59Å |
| 1028 | S | 44.9 | Very low | 41.6 | Very low | 56 Ų | 56 | 82 Ų | 82 | 39% | 0.392 | 45% | 0.447 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -19.3 | -172.8 | 65.1 | 0 | 0 | 0 | 0 | 114.7 | M1024 R1025 I1032 | M1024-S1028 WeakPolarHBondContact O-CB 3.29Å; M1024-S1028 PolarHBondContact O-N 3.3Å; M1024-S1028 PolarHBondContact O-OG 3.06Å; R1025-S1028 PolarHBondContact O-OG 3.09Å; S1028-I1032 WeakPolarHBondContact O-CG1 3.36Å |
| 1029 | N | 40.3 | Very low | 42.8 | Very low | 132 Ų | 132 | 78.2 Ų | 78.2 | 71% | 0.706 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.6 | -13.7 | -179.2 | -77.7 | -5.7 | 0 | 0 | 0 | 114.3 | L1027 | L1027-N1029 VanDerWaalsContact C-N 3.31Å; L1027-N1029 PolarHBondContact O-N 2.73Å |
| 1030 | N | 39.8 | Very low | 43.6 | Very low | 150 Ų | 150 | 69.9 Ų | 69.9 | 80% | 0.802 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -125.4 | -13.1 | -178.4 | -77.4 | -24.2 | 0 | 0 | 0 | 115.2 | L1027 | L1027-N1030 PolarHBondContact O-N 2.92Š|
| 1031 | C | 44.5 | Very low | 44.3 | Very low | 26 Ų | 26 | 67.9 Ų | 67.9 | 18% | 0.176 | 37% | 0.371 | C | S | . | . | trans | -108.7 | 30 | -170.2 | -64.5 | 0 | 0 | 0 | 0 | 115.2 | L1027 N1033 | L1027-C1031 WeakPolarHBondContact O-CB 3.08Å; L1027-C1031 PolarHBondContact O-N 2.59Å; C1031-N1033 VanDerWaalsContact C-N 3.32Å; C1031-N1033 PolarHBondContact O-N 2.86Å | ||
| 1032 | I | 46.9 | Very low | 45.2 | Very low | 131 Ų | 131 | 65 Ų | 65 | 67% | 0.672 | 36% | 0.357 | S | S | * | . | trans | -75 | -14.8 | -171.8 | -61.6 | 176.7 | 0 | 0 | 0 | 113.8 | S1028 | S1028-I1032 WeakPolarHBondContact O-CG1 3.36Š| ||
| 1033 | N | 47.4 | Very low | 46.1 | Very low | 97 Ų | 97 | 63.3 Ų | 63.3 | 52% | 0.519 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -112.2 | 112.6 | -177.3 | -77.7 | -23.1 | 0 | 0 | 0 | 112.5 | C1031 T1035 P1067 | C1031-N1033 VanDerWaalsContact C-N 3.32Å; C1031-N1033 PolarHBondContact O-N 2.86Å; N1033-T1035 WeakPolarHBondContact O-CG2 3.43Å; N1033-T1035 PolarHBondContact O-N 3.1Å; N1033-P1067 HydrophobicContact CB-CG 3.82Å |
| 1034 | P | 47.5 | Very low | 46.9 | Very low | 11 Ų | 11 | 67.5 Ų | 67.5 | 7% | 0.071 | 37% | 0.366 | C | S | . | . | trans | -68.5 | 122.3 | 175.9 | -20.2 | 37.8 | 0 | 0 | 0 | 108.5 | I947 F1066 | I947-P1034 HydrophobicContact CB-CB 4.06Å; I947-P1034 HydrophobicContact CD1-CB 3.75Å; I947-P1034 HydrophobicContact CD1-CG 3.57Å; I947-P1034 HydrophobicContact CG1-CB 4Å; I947-P1034 HydrophobicContact CG1-CG 4.32Å; P1034-F1066 HydrophobicContact CB-CB 4.38Å; P1034-F1066 HydrophobicContact CB-CD1 3.39Å; P1034-F1066 HydrophobicContact CB-CE1 3.72Å; P1034-F1066 HydrophobicContact CB-CG 3.9Å; P1034-F1066 HydrophobicContact CB-CZ 4.49Å; P1034-F1066 HydrophobicContact CG-CD1 3.25Å; P1034-F1066 HydrophobicContact CG-CE1 3.47Å; P1034-F1066 VanDerWaalsContact CG-CE1 3.47Å; P1034-F1066 HydrophobicContact CG-CG 4.22Å | ||
| 1035 | T | 52.2 | Low | 48 | Very low | 22 Ų | 22 | 64.8 Ų | 64.8 | 14% | 0.135 | 35% | 0.352 | C | S | . | . | trans | -105.3 | -23.4 | -174.3 | 52.5 | 0 | 0 | 0 | 0 | 114.2 | G945 N1033 | G945-T1035 PolarHBondContact O-OG1 3.14Å; N1033-T1035 WeakPolarHBondContact O-CG2 3.43Å; N1033-T1035 PolarHBondContact O-N 3.1Å | ||
| 1036 | H | 55.1 | Low | 49.3 | Very low | 9 Ų | 9 | 62.4 Ų | 62.4 | 4% | 0.042 | 36% | 0.355 | C | S | . | . | trans | -148.9 | 107.5 | -167.1 | -66.3 | 73.9 | 0 | 0 | 0 | 115.5 | Y946 I947 L948 I1038 H1071 | Y946-H1036 HydrophobicContact CD1-CB 3.92Å; Y946-H1036 AromaticContact CD1-CE1 3.68Å; Y946-H1036 AromaticContact CD1-CG 3.49Å; Y946-H1036 VanDerWaalsContact CD1-CG 3.49Å; Y946-H1036 AromaticContact CD1-ND1 3.04Å; Y946-H1036 WeakPolarHBondContact CD1-ND1 3.41Å; Y946-H1036 AromaticContact CE1-CE1 3.16Å; Y946-H1036 WeakPolarHBondContact CE1-CE1 3.18Å; Y946-H1036 AromaticContact CE1-CG 3.73Å; Y946-H1036 AromaticContact CE1-ND1 3.07Å; Y946-H1036 WeakPolarHBondContact CE1-ND1 3.4Å; Y946-H1036 AromaticContact CE1-NE2 3.78Å; I947-H1036 CarbonylContact C-O 3.56Å; I947-H1036 CarbonylContact O-C 3.57Å; L948-H1036 HydrophobicContact CD2-CB 4.4Å; H1036-I1038 PolarHBondContact O-N 3.09Å; H1036-H1071 AromaticContact CD2-CD2 3.54Å; H1036-H1071 AromaticContact NE2-CD2 3.64Å | ||
| 1037 | V | 53.7 | Low | 50.6 | Low | 5 Ų | 5 | 63.1 Ų | 63.1 | 3% | 0.03 | 35% | 0.349 | C | S | . | . | trans | -89.3 | 102.4 | 176.3 | 176.9 | 0 | 0 | 0 | 0 | 111.1 | V949 V1039 W1062 I1063 F1066 P1070 | V949-V1037 HydrophobicContact CB-CB 4.46Å; V949-V1037 HydrophobicContact CB-CG1 3.72Å; V949-V1037 HydrophobicContact CG1-CG1 4.44Å; V949-V1037 HydrophobicContact CG2-CB 4.32Å; V949-V1037 HydrophobicContact CG2-CG1 3.98Å; V949-V1037 HydrophobicContact CG2-CG2 4.04Å; V1037-V1039 HydrophobicContact CG1-CG2 4.34Å; V1037-W1062 HydrophobicContact CG1-CZ3 4.48Å; V1037-W1062 HydrophobicContact CG2-CZ3 4.45Å; V1037-I1063 HydrophobicContact CG2-CG1 4.3Å; V1037-F1066 HydrophobicContact CG2-CD2 4.43Å; V1037-F1066 HydrophobicContact CG2-CE2 4.4Å; V1037-P1070 HydrophobicContact CB-CB 3.55Å; V1037-P1070 HydrophobicContact CB-CG 4.39Å; V1037-P1070 HydrophobicContact CG2-CB 3.72Å; V1037-P1070 HydrophobicContact CG2-CG 4.35Å | ||
| 1038 | I | 56.9 | Low | 51.8 | Low | 1 Ų | 1 | 60 Ų | 60 | 1% | 0.005 | 33% | 0.332 | C | S | . | . | trans | -91.4 | 107.4 | 177.6 | -59.1 | 177.7 | 0 | 0 | 0 | 112.4 | L948 V949 H1036 I1073 W1077 L1078 | L948-I1038 HydrophobicContact CB-CD1 4.49Å; L948-I1038 HydrophobicContact CD1-CD1 3.98Å; L948-I1038 HydrophobicContact CD2-CD1 3.31Å; L948-I1038 HydrophobicContact CD2-CG1 3.7Å; L948-I1038 HydrophobicContact CG-CD1 4.08Å; V949-I1038 CarbonylContact C-O 3.57Å; V949-I1038 CarbonylContact O-C 3.49Å; H1036-I1038 PolarHBondContact O-N 3.09Å; I1038-I1073 HydrophobicContact CD1-CD1 3.57Å; I1038-I1073 HydrophobicContact CD1-CG1 4.29Å; I1038-I1073 HydrophobicContact CG1-CB 4.34Å; I1038-I1073 HydrophobicContact CG1-CD1 3.53Å; I1038-I1073 HydrophobicContact CG1-CG1 3.83Å; I1038-I1073 HydrophobicContact CG2-CB 4.07Å; I1038-I1073 HydrophobicContact CG2-CG1 4.43Å; I1038-W1077 HydrophobicContact CD1-CE3 4.44Å; I1038-W1077 HydrophobicContact CD1-CZ3 3.74Å; I1038-L1078 HydrophobicContact CD1-CD1 3.69Å; I1038-L1078 HydrophobicContact CG2-CD1 3.88Å | ||
| 1039 | V | 56 | Low | 52.8 | Low | 5 Ų | 5 | 61.8 Ų | 61.8 | 3% | 0.03 | 34% | 0.337 | C | S | . | . | trans | -88.3 | 117.7 | 171.4 | -179.9 | 0 | 0 | 0 | 0 | 111.5 | I951 V1037 S1041 F1048 F1072 | I951-V1039 HydrophobicContact CB-CB 4.44Å; I951-V1039 HydrophobicContact CB-CG1 3.75Å; I951-V1039 HydrophobicContact CB-CG2 4.21Å; I951-V1039 HydrophobicContact CD1-CG2 3.92Å; I951-V1039 HydrophobicContact CG1-CG2 4.26Å; I951-V1039 HydrophobicContact CG2-CG1 4.27Å; V1037-V1039 HydrophobicContact CG1-CG2 4.34Å; V1039-S1041 PolarHBondContact O-N 3.16Å; V1039-F1048 HydrophobicContact CG1-CE1 4Å; V1039-F1048 HydrophobicContact CG1-CE2 4.24Å; V1039-F1048 HydrophobicContact CG1-CZ 3.33Å; V1039-F1072 HydrophobicContact CB-CD1 3.84Å; V1039-F1072 HydrophobicContact CB-CE1 3.93Å; V1039-F1072 HydrophobicContact CG2-CD1 3.87Å; V1039-F1072 HydrophobicContact CG2-CE1 3.51Å | ||
| 1040 | L | 54.2 | Low | 54.2 | Low | 1 Ų | 1 | 59.9 Ų | 59.9 | 1% | 0.005 | 33% | 0.326 | C | S | . | . | trans | -80 | 99.5 | 177.3 | -74.9 | 174.9 | 0 | 0 | 0 | 111.2 | L950 I951 M976 E1075 | L950-L1040 HydrophobicContact CB-CD1 4.3Å; L950-L1040 HydrophobicContact CD2-CD1 3.18Å; L950-L1040 HydrophobicContact CD2-CD2 4.49Å; L950-L1040 HydrophobicContact CD2-CG 3.65Å; L950-L1040 HydrophobicContact CG-CD1 4.3Å; I951-L1040 CarbonylContact O-C 3.49Å; I951-L1040 PolarHBondContact O-N 2.64Å; M976-L1040 HydrophobicContact CE-CD1 3.32Å; M976-L1040 HydrophobicContact SD-CD1 4.04Å; L1040-E1075 VanDerWaalsContact CD2-CA 3.5Å; L1040-E1075 HydrophobicContact CD2-CB 3.59Å; L1040-E1075 HydrophobicContact CD2-CG 3.81Å | ||
| 1041 | S | 51.2 | Low | 55.6 | Low | 32 Ų | 32 | 53.1 Ų | 53.1 | 22% | 0.224 | 29% | 0.289 | C | S | . | . | trans | -79.8 | 116.7 | 160.2 | -178.8 | 0 | 0 | 0 | 0 | 108.7 | V1039 | V1039-S1041 PolarHBondContact O-N 3.16Š| ||
| 1042 | T | 51.9 | Low | 56.7 | Low | 29 Ų | 29 | 52.8 Ų | 52.8 | 18% | 0.178 | 29% | 0.286 | C | S | . | . | trans | -60.8 | 141.7 | 151.8 | 43.2 | 0 | 0 | 0 | 0 | 108.1 | R952 | R952-T1042 VanDerWaalsContact CZ-CG2 3.45Š| ||
| 1043 | S | 52 | Low | 57.8 | Low | 107 Ų | 107 | 52.6 Ų | 52.6 | 75% | 0.748 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -34.3 | 134.9 | -173 | 55.5 | 0 | 0 | 0 | 0 | 117 | E1045 | S1043-E1045 VanDerWaalsContact C-N 3.32Å; S1043-E1045 PolarHBondContact O-N 3.17Å |
| 1044 | Q | 51.2 | Low | 59 | Low | 186 Ų | 186 | 55.7 Ų | 55.7 | 87% | 0.869 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.2 | 8.2 | 157.4 | -76.5 | -164.7 | -3 | 0 | 0 | 120.9 | T1046 | Q1044-T1046 PolarHBondContact O-N 3.27Š|
| 1045 | E | 55.7 | Low | 60.1 | Low | 41 Ų | 41 | 55.8 Ų | 55.8 | 19% | 0.192 | 30% | 0.295 | C | S | . | . | trans | -67.9 | 104.9 | 176.6 | -72.9 | -170.8 | 173.2 | 0 | 0 | 111.6 | S956 S1043 E1047 F1048 N1049 | S956-E1045 VanDerWaalsContact CB-OE1 3.31Å; S956-E1045 WeakPolarHBondContact CB-OE1 3.41Å; S956-E1045 PolarHBondContact OG-OE1 3.33Å; S1043-E1045 VanDerWaalsContact C-N 3.32Å; S1043-E1045 PolarHBondContact O-N 3.17Å; E1045-E1047 PolarHBondContact O-N 2.99Å; E1045-F1048 HydrophobicContact CB-CB 4.19Å; E1045-F1048 PolarHBondContact O-N 2.98Å; E1045-N1049 PolarHBondContact O-N 3.07Å | ||
| 1046 | T | 60.4 | Low | 61 | Low | 107 Ų | 107 | 59.4 Ų | 59.4 | 66% | 0.656 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -54 | -35.1 | 170.9 | 1.1 | 0 | 0 | 0 | 0 | 110.4 | Q1044 F1048 N1049 I1050 | Q1044-T1046 PolarHBondContact O-N 3.27Å; T1046-F1048 VanDerWaalsContact C-N 3.33Å; T1046-F1048 PolarHBondContact O-N 2.98Å; T1046-N1049 PolarHBondContact O-N 3.43Å; T1046-I1050 WeakPolarHBondContact O-CD1 3.35Å; T1046-I1050 WeakPolarHBondContact O-CG1 3.38Å; T1046-I1050 PolarHBondContact O-N 3.41Å |
| 1047 | E | 63.1 | Low | 61.9 | Low | 107 Ų | 107 | 62.6 Ų | 62.6 | 50% | 0.5 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -61.3 | -36.8 | 173.4 | -75.2 | -165.2 | 148.7 | 0 | 0 | 113.2 | F955 E1045 I1050 W1051 | F955-E1047 HydrophobicContact CD2-CB 4.22Å; E1045-E1047 PolarHBondContact O-N 2.99Å; E1047-I1050 PolarHBondContact O-N 2.9Å; E1047-W1051 WeakPolarHBondContact O-CB 3.48Å; E1047-W1051 PolarHBondContact O-N 3.3Å |
| 1048 | F | 63.6 | Low | 62.7 | Low | 6 Ų | 6 | 64.2 Ų | 64.2 | 3% | 0.026 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -69.7 | -41.5 | 176.9 | -178.6 | -109.7 | 0 | 0 | 0 | 112.5 | P953 F955 V1039 E1045 T1046 I1050 W1051 L1052 | P953-F1048 HydrophobicContact CB-CB 4.27Å; P953-F1048 HydrophobicContact CB-CD2 3.55Å; P953-F1048 HydrophobicContact CB-CE2 4.25Å; P953-F1048 HydrophobicContact CB-CG 4.16Å; P953-F1048 HydrophobicContact CG-CB 4Å; P953-F1048 HydrophobicContact CG-CD2 3.45Å; P953-F1048 VanDerWaalsContact CG-CD2 3.45Å; P953-F1048 HydrophobicContact CG-CE2 4.05Å; P953-F1048 HydrophobicContact CG-CG 3.71Å; F955-F1048 HydrophobicContact CD2-CB 4.5Å; F955-F1048 HydrophobicContact CE2-CB 3.98Å; F955-F1048 AromaticContact CE2-CD2 3.85Å; F955-F1048 HydrophobicContact CE2-CD2 3.85Å; F955-F1048 HydrophobicContact CE2-CG 4.43Å; F955-F1048 HydrophobicContact CZ-CD2 4.3Å; V1039-F1048 HydrophobicContact CG1-CE1 4Å; V1039-F1048 HydrophobicContact CG1-CE2 4.24Å; V1039-F1048 HydrophobicContact CG1-CZ 3.33Å; E1045-F1048 HydrophobicContact CB-CB 4.19Å; E1045-F1048 PolarHBondContact O-N 2.98Å; T1046-F1048 VanDerWaalsContact C-N 3.33Å; T1046-F1048 PolarHBondContact O-N 2.98Å; F1048-I1050 VanDerWaalsContact C-N 3.3Å; F1048-I1050 PolarHBondContact O-N 3.24Å; F1048-W1051 AromaticContact CD2-CE3 3.93Å; F1048-W1051 HydrophobicContact CD2-CE3 3.93Å; F1048-W1051 AromaticContact CE2-CE3 3.61Å; F1048-W1051 HydrophobicContact CE2-CE3 3.61Å; F1048-W1051 AromaticContact CE2-CZ3 3.84Å; F1048-W1051 HydrophobicContact CE2-CZ3 3.84Å; F1048-W1051 PolarHBondContact O-N 3.11Å; F1048-L1052 HydrophobicContact CE1-CD1 4.25Å; F1048-L1052 HydrophobicContact CE2-CD1 4.26Å; F1048-L1052 HydrophobicContact CZ-CB 4.43Å; F1048-L1052 HydrophobicContact CZ-CD1 3.65Å; F1048-L1052 VanDerWaalsContact O-CB 3.23Å; F1048-L1052 WeakPolarHBondContact O-CB 3.49Å; F1048-L1052 PolarHBondContact O-N 2.84Å |
| 1049 | N | 65.5 | Low | 63.2 | Low | 92 Ų | 92 | 64.1 Ų | 64.1 | 49% | 0.492 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -64.2 | -36.9 | 173.2 | -76.3 | -39 | 0 | 0 | 0 | 111.9 | E1045 T1046 N1053 | E1045-N1049 PolarHBondContact O-N 3.07Å; T1046-N1049 PolarHBondContact O-N 3.43Å; N1049-N1053 VanDerWaalsContact O-CB 3.29Å; N1049-N1053 WeakPolarHBondContact O-CB 3.35Å; N1049-N1053 PolarHBondContact O-N 3.29Å; N1049-N1053 PolarHBondContact O-ND2 2.93Å |
| 1050 | I | 68.8 | Low | 63.8 | Low | 92 Ų | 92 | 66.1 Ų | 66.1 | 47% | 0.472 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -65.7 | -44.8 | 173.8 | -68.4 | 163.5 | 0 | 0 | 0 | 110.7 | T1046 E1047 F1048 N1053 K1054 | T1046-I1050 WeakPolarHBondContact O-CD1 3.35Å; T1046-I1050 WeakPolarHBondContact O-CG1 3.38Å; T1046-I1050 PolarHBondContact O-N 3.41Å; E1047-I1050 PolarHBondContact O-N 2.9Å; F1048-I1050 VanDerWaalsContact C-N 3.3Å; F1048-I1050 PolarHBondContact O-N 3.24Å; I1050-N1053 PolarHBondContact O-N 3.45Å; I1050-K1054 HydrophobicContact CG2-CD 4.32Å; I1050-K1054 WeakPolarHBondContact O-CB 3.35Å; I1050-K1054 WeakPolarHBondContact O-CG 3.31Å; I1050-K1054 PolarHBondContact O-N 3.43Å |
| 1051 | W | 69.9 | Low | 64.7 | Low | 9 Ų | 9 | 69.7 Ų | 69.7 | 3% | 0.034 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -64.8 | -44.6 | 178.3 | 179.9 | 86.6 | 0 | 0 | 0 | 111.2 | F955 I993 L1002 E1047 F1048 K1054 N1055 L1059 | F955-W1051 HydrophobicContact CE1-CG 4.32Å; F955-W1051 HydrophobicContact CE2-CB 4.06Å; F955-W1051 HydrophobicContact CE2-CG 4.27Å; F955-W1051 HydrophobicContact CZ-CB 3.83Å; F955-W1051 AromaticContact CZ-CD1 3.9Å; F955-W1051 AromaticContact CZ-CD2 3.84Å; F955-W1051 HydrophobicContact CZ-CD2 3.84Å; F955-W1051 HydrophobicContact CZ-CE3 4.36Å; F955-W1051 AromaticContact CZ-CG 3.55Å; F955-W1051 HydrophobicContact CZ-CG 3.55Å; I993-W1051 HydrophobicContact CD1-CE3 4.36Å; I993-W1051 HydrophobicContact CD1-CH2 3.09Å; I993-W1051 HydrophobicContact CD1-CZ2 3.42Å; I993-W1051 VanDerWaalsContact CD1-CZ2 3.42Å; I993-W1051 HydrophobicContact CD1-CZ3 3.6Å; I993-W1051 HydrophobicContact CG2-CZ2 4.07Å; L1002-W1051 HydrophobicContact CD1-CH2 3.93Å; L1002-W1051 HydrophobicContact CD1-CZ2 3.85Å; L1002-W1051 HydrophobicContact CD2-CH2 3.84Å; L1002-W1051 HydrophobicContact CD2-CZ2 4.15Å; E1047-W1051 WeakPolarHBondContact O-CB 3.48Å; E1047-W1051 PolarHBondContact O-N 3.3Å; F1048-W1051 AromaticContact CD2-CE3 3.93Å; F1048-W1051 HydrophobicContact CD2-CE3 3.93Å; F1048-W1051 AromaticContact CE2-CE3 3.61Å; F1048-W1051 HydrophobicContact CE2-CE3 3.61Å; F1048-W1051 AromaticContact CE2-CZ3 3.84Å; F1048-W1051 HydrophobicContact CE2-CZ3 3.84Å; F1048-W1051 PolarHBondContact O-N 3.11Å; W1051-K1054 PolarHBondContact O-N 3.48Å; W1051-N1055 VanDerWaalsContact CE2-ND2 3.31Å; W1051-N1055 HydrophobicContact CH2-CB 4.39Å; W1051-N1055 HydrophobicContact CZ2-CB 4.12Å; W1051-N1055 PolarHBondContact NE1-ND2 3.04Å; W1051-N1055 WeakPolarHBondContact O-CB 3.49Å; W1051-N1055 PolarHBondContact O-N 3.12Å; W1051-N1055 PolarHBondContact O-ND2 2.98Å; W1051-L1059 HydrophobicContact CH2-CD1 4.44Å; W1051-L1059 HydrophobicContact CZ3-CD1 4.35Å |
| 1052 | L | 67.5 | Low | 65.5 | Low | 19 Ų | 19 | 68.2 Ų | 68.2 | 10% | 0.099 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -62.9 | -45.8 | 177.5 | -162.5 | 85.4 | 0 | 0 | 0 | 110.3 | F1048 K1054 N1055 Y1056 L1059 F1072 | F1048-L1052 HydrophobicContact CE1-CD1 4.25Å; F1048-L1052 HydrophobicContact CE2-CD1 4.26Å; F1048-L1052 HydrophobicContact CZ-CB 4.43Å; F1048-L1052 HydrophobicContact CZ-CD1 3.65Å; F1048-L1052 VanDerWaalsContact O-CB 3.23Å; F1048-L1052 WeakPolarHBondContact O-CB 3.49Å; F1048-L1052 PolarHBondContact O-N 2.84Å; L1052-K1054 PolarHBondContact O-N 3.08Å; L1052-N1055 CarbonylContact O-C 3.46Å; L1052-N1055 PolarHBondContact O-N 3.47Å; L1052-Y1056 VanDerWaalsContact O-CA 3.26Å; L1052-Y1056 WeakPolarHBondContact O-CA 3.36Å; L1052-Y1056 VanDerWaalsContact O-CB 3.28Å; L1052-Y1056 WeakPolarHBondContact O-CB 3.44Å; L1052-Y1056 PolarHBondContact O-N 2.9Å; L1052-L1059 HydrophobicContact CD1-CD1 3.76Å; L1052-F1072 HydrophobicContact CD1-CD1 4.5Å; L1052-F1072 HydrophobicContact CD1-CE1 3.68Å; L1052-F1072 HydrophobicContact CD1-CZ 4.25Å; L1052-F1072 HydrophobicContact CD2-CD1 3.99Å; L1052-F1072 HydrophobicContact CD2-CE1 3.72Å; L1052-F1072 HydrophobicContact CD2-CZ 4.13Å; L1052-F1072 HydrophobicContact CG-CE1 4.21Å |
| 1053 | N | 70.8 | Confident | 66.1 | Low | 126 Ų | 126 | 67.1 Ų | 67.1 | 67% | 0.674 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -63.3 | -39 | 176 | -83.1 | -28.5 | 0 | 0 | 0 | 112.6 | N1049 I1050 | N1049-N1053 VanDerWaalsContact O-CB 3.29Å; N1049-N1053 WeakPolarHBondContact O-CB 3.35Å; N1049-N1053 PolarHBondContact O-N 3.29Å; N1049-N1053 PolarHBondContact O-ND2 2.93Å; I1050-N1053 PolarHBondContact O-N 3.45Å |
| 1054 | K | 72.4 | Confident | 66.7 | Low | 162 Ų | 162 | 71.5 Ų | 71.5 | 70% | 0.704 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -68.2 | -34.5 | 176.1 | -82.8 | -177.4 | 175.3 | 179.9 | 0 | 113.1 | I1050 W1051 L1052 | I1050-K1054 HydrophobicContact CG2-CD 4.32Å; I1050-K1054 WeakPolarHBondContact O-CB 3.35Å; I1050-K1054 WeakPolarHBondContact O-CG 3.31Å; I1050-K1054 PolarHBondContact O-N 3.43Å; W1051-K1054 PolarHBondContact O-N 3.48Å; L1052-K1054 PolarHBondContact O-N 3.08Å |
| 1055 | N | 70.8 | Confident | 67.4 | Low | 13 Ų | 13 | 67.5 Ų | 67.5 | 7% | 0.07 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -105.2 | 6.6 | -175 | -63 | -72.2 | 0 | 0 | 0 | 113.2 | V999 W1051 L1052 S1057 I1058 L1059 | V999-N1055 WeakPolarHBondContact CG1-OD1 3.44Å; V999-N1055 WeakPolarHBondContact CG2-OD1 3.41Å; W1051-N1055 VanDerWaalsContact CE2-ND2 3.31Å; W1051-N1055 HydrophobicContact CH2-CB 4.39Å; W1051-N1055 HydrophobicContact CZ2-CB 4.12Å; W1051-N1055 PolarHBondContact NE1-ND2 3.04Å; W1051-N1055 WeakPolarHBondContact O-CB 3.49Å; W1051-N1055 PolarHBondContact O-N 3.12Å; W1051-N1055 PolarHBondContact O-ND2 2.98Å; L1052-N1055 CarbonylContact O-C 3.46Å; L1052-N1055 PolarHBondContact O-N 3.47Å; N1055-S1057 PolarHBondContact O-N 3.48Å; N1055-S1057 VanDerWaalsContact O-N 3.17Å; N1055-I1058 PolarHBondContact O-N 3.32Å; N1055-L1059 PolarHBondContact O-N 3.11Å; N1055-L1059 VanDerWaalsContact O-N 3.09Å |
| 1056 | Y | 71.1 | Confident | 67.6 | Low | 98 Ų | 98 | 66.5 Ų | 66.5 | 38% | 0.384 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -56.7 | -36.1 | -178.5 | -168.2 | -98.6 | 0 | 0 | 0 | 110.2 | L1052 I1058 L1059 N1060 F1072 | L1052-Y1056 VanDerWaalsContact O-CA 3.26Å; L1052-Y1056 WeakPolarHBondContact O-CA 3.36Å; L1052-Y1056 VanDerWaalsContact O-CB 3.28Å; L1052-Y1056 WeakPolarHBondContact O-CB 3.44Å; L1052-Y1056 PolarHBondContact O-N 2.9Å; Y1056-I1058 PolarHBondContact O-N 2.95Å; Y1056-L1059 PolarHBondContact O-N 3.46Å; Y1056-N1060 HydrophobicContact CD1-CB 4.24Å; Y1056-N1060 HydrophobicContact CE1-CB 4.19Å; Y1056-N1060 WeakPolarHBondContact CE1-ND2 3.34Å; Y1056-N1060 WeakPolarHBondContact O-CA 3.32Å; Y1056-N1060 WeakPolarHBondContact O-CB 3.44Å; Y1056-N1060 PolarHBondContact O-N 3.42Å; Y1056-F1072 AromaticContact CE2-CE2 3.87Å; Y1056-F1072 HydrophobicContact CE2-CE2 3.87Å; Y1056-F1072 HydrophobicContact CE2-CZ 4.3Å |
| 1057 | S | 72.4 | Confident | 67.4 | Low | 76 Ų | 76 | 65.3 Ų | 65.3 | 53% | 0.531 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -60.7 | -42.4 | 176.4 | 61.3 | 0 | 0 | 0 | 0 | 113.2 | N1055 N1060 T1061 | N1055-S1057 PolarHBondContact O-N 3.48Å; N1055-S1057 VanDerWaalsContact O-N 3.17Å; S1057-N1060 PolarHBondContact O-N 3.32Å; S1057-T1061 WeakPolarHBondContact O-CB 3.38Å; S1057-T1061 PolarHBondContact O-N 3.09Å; S1057-T1061 PolarHBondContact O-OG1 3.37Å |
| 1058 | I | 71.5 | Confident | 67 | Low | 39 Ų | 39 | 68 Ų | 68 | 20% | 0.2 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -71 | -45.1 | -179.5 | -66.5 | 166.9 | 0 | 0 | 0 | 110.3 | V999 Q1003 N1055 Y1056 N1060 T1061 W1062 | V999-I1058 HydrophobicContact CG1-CD1 3.09Å; Q1003-I1058 HydrophobicContact CB-CG2 4.26Å; N1055-I1058 PolarHBondContact O-N 3.32Å; Y1056-I1058 PolarHBondContact O-N 2.95Å; I1058-N1060 VanDerWaalsContact C-N 3.33Å; I1058-N1060 PolarHBondContact O-N 2.82Å; I1058-T1061 PolarHBondContact O-N 2.7Å; I1058-W1062 WeakPolarHBondContact O-CB 3.5Å; I1058-W1062 PolarHBondContact O-N 2.58Å |
| 1059 | L | 67.3 | Low | 66.7 | Low | 0 Ų | 0 | 73.5 Ų | 73.5 | 0% | 0 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -57.1 | -49.5 | 172.3 | -106.6 | 153.4 | 0 | 0 | 0 | 110 | I951 W1051 L1052 N1055 Y1056 T1061 W1062 I1063 | I951-L1059 HydrophobicContact CD1-CD2 4.06Å; W1051-L1059 HydrophobicContact CH2-CD1 4.44Å; W1051-L1059 HydrophobicContact CZ3-CD1 4.35Å; L1052-L1059 HydrophobicContact CD1-CD1 3.76Å; N1055-L1059 PolarHBondContact O-N 3.11Å; N1055-L1059 VanDerWaalsContact O-N 3.09Å; Y1056-L1059 PolarHBondContact O-N 3.46Å; L1059-T1061 VanDerWaalsContact C-N 3.31Å; L1059-T1061 PolarHBondContact O-N 3.06Å; L1059-W1062 PolarHBondContact O-N 2.94Å; L1059-I1063 HydrophobicContact CB-CD1 4.23Å; L1059-I1063 HydrophobicContact CD2-CD1 3.81Å; L1059-I1063 WeakPolarHBondContact O-CB 3.33Å; L1059-I1063 VanDerWaalsContact O-CD1 3.26Å; L1059-I1063 WeakPolarHBondContact O-CD1 3.04Å; L1059-I1063 WeakPolarHBondContact O-CG1 3.43Å; L1059-I1063 PolarHBondContact O-N 3.47Å |
| 1060 | N | 68.3 | Low | 66.3 | Low | 46 Ų | 46 | 69.9 Ų | 69.9 | 25% | 0.246 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -65.9 | -31.4 | -179 | -150.1 | 10.6 | 0 | 0 | 0 | 112 | Y1056 S1057 I1058 R1064 | Y1056-N1060 HydrophobicContact CD1-CB 4.24Å; Y1056-N1060 HydrophobicContact CE1-CB 4.19Å; Y1056-N1060 WeakPolarHBondContact CE1-ND2 3.34Å; Y1056-N1060 WeakPolarHBondContact O-CA 3.32Å; Y1056-N1060 WeakPolarHBondContact O-CB 3.44Å; Y1056-N1060 PolarHBondContact O-N 3.42Å; S1057-N1060 PolarHBondContact O-N 3.32Å; I1058-N1060 VanDerWaalsContact C-N 3.33Å; I1058-N1060 PolarHBondContact O-N 2.82Å; N1060-R1064 WeakPolarHBondContact O-CB 3.33Å; N1060-R1064 VanDerWaalsContact O-CG 3.23Å; N1060-R1064 WeakPolarHBondContact O-CG 3.44Å; N1060-R1064 PolarHBondContact O-N 3.14Å |
| 1061 | T | 72.6 | Confident | 65.9 | Low | 77 Ų | 77 | 67.2 Ų | 67.2 | 47% | 0.472 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -72.3 | -40.6 | 174.3 | -51.3 | 0 | 0 | 0 | 0 | 111.6 | S1057 I1058 L1059 | S1057-T1061 WeakPolarHBondContact O-CB 3.38Å; S1057-T1061 PolarHBondContact O-N 3.09Å; S1057-T1061 PolarHBondContact O-OG1 3.37Å; I1058-T1061 PolarHBondContact O-N 2.7Å; L1059-T1061 VanDerWaalsContact C-N 3.31Å; L1059-T1061 PolarHBondContact O-N 3.06Å |
| 1062 | W | 68.5 | Low | 65.6 | Low | 0 Ų | 0 | 70.4 Ų | 70.4 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -66.7 | -40.5 | 172.7 | -177.9 | 70.1 | 0 | 0 | 0 | 111.5 | V949 L1006 N1007 V1037 I1058 L1059 R1064 Q1065 F1066 | V949-W1062 HydrophobicContact CB-CH2 4.46Å; V949-W1062 HydrophobicContact CG1-CH2 3.93Å; V949-W1062 HydrophobicContact CG1-CZ3 4.09Å; V949-W1062 HydrophobicContact CG2-CH2 3.78Å; V949-W1062 HydrophobicContact CG2-CZ3 4.08Å; L1006-W1062 HydrophobicContact CB-CD2 3.93Å; L1006-W1062 HydrophobicContact CB-CG 4.18Å; L1006-W1062 HydrophobicContact CB-CZ2 3.9Å; L1006-W1062 HydrophobicContact CD1-CB 4.45Å; L1006-W1062 HydrophobicContact CD1-CD2 3.82Å; L1006-W1062 HydrophobicContact CD1-CE3 3.94Å; L1006-W1062 HydrophobicContact CD1-CG 4.02Å; L1006-W1062 HydrophobicContact CD2-CD2 4.2Å; L1006-W1062 HydrophobicContact CD2-CE3 4.03Å; L1006-W1062 HydrophobicContact CD2-CH2 3.68Å; L1006-W1062 HydrophobicContact CD2-CZ2 3.87Å; L1006-W1062 HydrophobicContact CD2-CZ3 3.77Å; L1006-W1062 HydrophobicContact CG-CD2 4.21Å; L1006-W1062 HydrophobicContact CG-CE3 4.42Å; L1006-W1062 HydrophobicContact CG-CZ2 4.41Å; N1007-W1062 PolarHBondContact OD1-NE1 3.23Å; V1037-W1062 HydrophobicContact CG1-CZ3 4.48Å; V1037-W1062 HydrophobicContact CG2-CZ3 4.45Å; I1058-W1062 WeakPolarHBondContact O-CB 3.5Å; I1058-W1062 PolarHBondContact O-N 2.58Å; L1059-W1062 PolarHBondContact O-N 2.94Å; W1062-R1064 PolarHBondContact O-N 2.97Å; W1062-Q1065 VanDerWaalsContact O-CB 3.27Å; W1062-Q1065 WeakPolarHBondContact O-CB 3.48Å; W1062-Q1065 WeakPolarHBondContact O-CG 3.33Å; W1062-Q1065 PolarHBondContact O-N 3.3Å; W1062-F1066 HydrophobicContact CD2-CE2 4.39Å; W1062-F1066 HydrophobicContact CE3-CE2 4.14Å; W1062-F1066 AromaticContact CH2-CE2 3.92Å; W1062-F1066 HydrophobicContact CH2-CE2 3.92Å; W1062-F1066 HydrophobicContact CH2-CZ 4Å; W1062-F1066 HydrophobicContact CZ2-CE2 4.17Å; W1062-F1066 AromaticContact CZ2-CZ 3.96Å; W1062-F1066 HydrophobicContact CZ2-CZ 3.96Å; W1062-F1066 AromaticContact CZ3-CE2 3.89Å; W1062-F1066 HydrophobicContact CZ3-CE2 3.89Å; W1062-F1066 HydrophobicContact CZ3-CZ 4.44Å |
| 1063 | I | 63.8 | Low | 65.5 | Low | 7 Ų | 7 | 70.5 Ų | 70.5 | 4% | 0.036 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -65.5 | -34.9 | 178.8 | -79.6 | 163.4 | 0 | 0 | 0 | 112.6 | V1037 L1059 Q1065 F1066 P1070 | V1037-I1063 HydrophobicContact CG2-CG1 4.3Å; L1059-I1063 HydrophobicContact CB-CD1 4.23Å; L1059-I1063 HydrophobicContact CD2-CD1 3.81Å; L1059-I1063 WeakPolarHBondContact O-CB 3.33Å; L1059-I1063 VanDerWaalsContact O-CD1 3.26Å; L1059-I1063 WeakPolarHBondContact O-CD1 3.04Å; L1059-I1063 WeakPolarHBondContact O-CG1 3.43Å; L1059-I1063 PolarHBondContact O-N 3.47Å; I1063-Q1065 PolarHBondContact O-N 3.38Å; I1063-F1066 WeakPolarHBondContact O-CB 3.28Å; I1063-F1066 WeakPolarHBondContact O-CD2 3.08Å; I1063-F1066 PolarHBondContact O-N 3.46Å; I1063-P1070 HydrophobicContact CB-CG 4.06Å; I1063-P1070 HydrophobicContact CD1-CB 4.41Å; I1063-P1070 HydrophobicContact CD1-CG 3.4Å; I1063-P1070 HydrophobicContact CG1-CG 3.69Å; I1063-P1070 HydrophobicContact CG2-CG 3.24Å |
| 1064 | R | 66 | Low | 65.3 | Low | 199 Ų | 199 | 72 Ų | 72 | 75% | 0.751 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -7.4 | 177.7 | -85 | 175.8 | -174 | -165.1 | 1.9 | 113.8 | N1060 W1062 | N1060-R1064 WeakPolarHBondContact O-CB 3.33Å; N1060-R1064 VanDerWaalsContact O-CG 3.23Å; N1060-R1064 WeakPolarHBondContact O-CG 3.44Å; N1060-R1064 PolarHBondContact O-N 3.14Å; W1062-R1064 PolarHBondContact O-N 2.97Å |
| 1065 | Q | 65.1 | Low | 65.2 | Low | 102 Ų | 102 | 65.9 Ų | 65.9 | 48% | 0.477 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -14.5 | 168.8 | -55.3 | 177 | 26.6 | 0 | 0 | 112.3 | W1062 I1063 | W1062-Q1065 VanDerWaalsContact O-CB 3.27Å; W1062-Q1065 WeakPolarHBondContact O-CB 3.48Å; W1062-Q1065 WeakPolarHBondContact O-CG 3.33Å; W1062-Q1065 PolarHBondContact O-N 3.3Å; I1063-Q1065 PolarHBondContact O-N 3.38Å |
| 1066 | F | 60.9 | Low | 65.2 | Low | 20 Ų | 20 | 68.9 Ų | 68.9 | 9% | 0.088 | 34% | 0.335 | C | S | . | . | S | Bend | trans | -103 | 143 | 179 | -52 | -54.7 | 0 | 0 | 0 | 111.3 | Y1010 P1034 V1037 W1062 I1063 R1068 | Y1010-F1066 HydrophobicContact CE2-CE1 4.08Å; Y1010-F1066 HydrophobicContact CE2-CZ 4.49Å; P1034-F1066 HydrophobicContact CB-CB 4.38Å; P1034-F1066 HydrophobicContact CB-CD1 3.39Å; P1034-F1066 HydrophobicContact CB-CE1 3.72Å; P1034-F1066 HydrophobicContact CB-CG 3.9Å; P1034-F1066 HydrophobicContact CB-CZ 4.49Å; P1034-F1066 HydrophobicContact CG-CD1 3.25Å; P1034-F1066 HydrophobicContact CG-CE1 3.47Å; P1034-F1066 VanDerWaalsContact CG-CE1 3.47Å; P1034-F1066 HydrophobicContact CG-CG 4.22Å; V1037-F1066 HydrophobicContact CG2-CD2 4.43Å; V1037-F1066 HydrophobicContact CG2-CE2 4.4Å; W1062-F1066 HydrophobicContact CD2-CE2 4.39Å; W1062-F1066 HydrophobicContact CE3-CE2 4.14Å; W1062-F1066 AromaticContact CH2-CE2 3.92Å; W1062-F1066 HydrophobicContact CH2-CE2 3.92Å; W1062-F1066 HydrophobicContact CH2-CZ 4Å; W1062-F1066 HydrophobicContact CZ2-CE2 4.17Å; W1062-F1066 AromaticContact CZ2-CZ 3.96Å; W1062-F1066 HydrophobicContact CZ2-CZ 3.96Å; W1062-F1066 AromaticContact CZ3-CE2 3.89Å; W1062-F1066 HydrophobicContact CZ3-CE2 3.89Å; W1062-F1066 HydrophobicContact CZ3-CZ 4.44Å; I1063-F1066 WeakPolarHBondContact O-CB 3.28Å; I1063-F1066 WeakPolarHBondContact O-CD2 3.08Å; I1063-F1066 PolarHBondContact O-N 3.46Å; F1066-R1068 VanDerWaalsContact C-N 3.27Å; F1066-R1068 PolarHBondContact O-N 3.28Å |
| 1067 | P | 55.4 | Low | 65.2 | Low | 81 Ų | 81 | 65.2 Ų | 65.2 | 53% | 0.526 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -73.2 | -9.4 | -172.1 | 25.8 | -32.3 | 0 | 0 | 0 | 115.2 | N1033 | N1033-P1067 HydrophobicContact CB-CG 3.82Š|
| 1068 | R | 55.9 | Low | 65.2 | Low | 165 Ų | 165 | 61.6 Ų | 61.6 | 62% | 0.623 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -129.2 | 149.9 | 179.8 | -71.7 | -170.1 | 177.1 | -179.4 | -1.6 | 111.8 | F1066 | F1066-R1068 VanDerWaalsContact C-N 3.27Å; F1066-R1068 PolarHBondContact O-N 3.28Å |
| 1069 | I | 56.6 | Low | 65.4 | Low | 120 Ų | 120 | 62.3 Ų | 62.3 | 62% | 0.615 | 30% | 0.302 | S | S | * | . | trans | -65.7 | 125.2 | 177.3 | -55.5 | 171.3 | 0 | 0 | 0 | 108.4 | ||||
| 1070 | P | 56.2 | Low | 65.8 | Low | 17 Ų | 17 | 66.4 Ų | 66.4 | 11% | 0.11 | 32% | 0.321 | C | S | . | . | trans | -77.3 | 150.5 | -179.9 | 25.8 | -30.3 | 0 | 0 | 0 | 112.8 | V1037 I1063 | V1037-P1070 HydrophobicContact CB-CB 3.55Å; V1037-P1070 HydrophobicContact CB-CG 4.39Å; V1037-P1070 HydrophobicContact CG2-CB 3.72Å; V1037-P1070 HydrophobicContact CG2-CG 4.35Å; I1063-P1070 HydrophobicContact CB-CG 4.06Å; I1063-P1070 HydrophobicContact CD1-CB 4.41Å; I1063-P1070 HydrophobicContact CD1-CG 3.4Å; I1063-P1070 HydrophobicContact CG1-CG 3.69Å; I1063-P1070 HydrophobicContact CG2-CG 3.24Å | ||
| 1071 | H | 61.1 | Low | 66 | Low | 35 Ų | 35 | 64.2 Ų | 64.2 | 16% | 0.162 | 31% | 0.309 | C | S | . | . | trans | -104.7 | 127.7 | 178.3 | -63.1 | -83.2 | 0 | 0 | 0 | 111.1 | H1036 I1073 | H1036-H1071 AromaticContact CD2-CD2 3.54Å; H1036-H1071 AromaticContact NE2-CD2 3.64Å; H1071-I1073 HydrophobicContact CB-CG1 4.43Å | ||
| 1072 | F | 64.2 | Low | 66.2 | Low | 76 Ų | 76 | 62.1 Ų | 62.1 | 33% | 0.333 | 30% | 0.295 | S | S | . | . | trans | -82.4 | 124.8 | 171.4 | -73.1 | -91.5 | 0 | 0 | 0 | 109.8 | V1039 L1052 Y1056 | V1039-F1072 HydrophobicContact CB-CD1 3.84Å; V1039-F1072 HydrophobicContact CB-CE1 3.93Å; V1039-F1072 HydrophobicContact CG2-CD1 3.87Å; V1039-F1072 HydrophobicContact CG2-CE1 3.51Å; L1052-F1072 HydrophobicContact CD1-CD1 4.5Å; L1052-F1072 HydrophobicContact CD1-CE1 3.68Å; L1052-F1072 HydrophobicContact CD1-CZ 4.25Å; L1052-F1072 HydrophobicContact CD2-CD1 3.99Å; L1052-F1072 HydrophobicContact CD2-CE1 3.72Å; L1052-F1072 HydrophobicContact CD2-CZ 4.13Å; L1052-F1072 HydrophobicContact CG-CE1 4.21Å; Y1056-F1072 AromaticContact CE2-CE2 3.87Å; Y1056-F1072 HydrophobicContact CE2-CE2 3.87Å; Y1056-F1072 HydrophobicContact CE2-CZ 4.3Å | ||
| 1073 | I | 65.4 | Low | 66.6 | Low | 22 Ų | 22 | 69.6 Ų | 69.6 | 11% | 0.113 | 33% | 0.331 | C | S | . | . | trans | -128.9 | 143.5 | -174.5 | -30.9 | -179.3 | 0 | 0 | 0 | 110.6 | I1038 H1071 W1077 L1091 | I1038-I1073 HydrophobicContact CD1-CD1 3.57Å; I1038-I1073 HydrophobicContact CD1-CG1 4.29Å; I1038-I1073 HydrophobicContact CG1-CB 4.34Å; I1038-I1073 HydrophobicContact CG1-CD1 3.53Å; I1038-I1073 HydrophobicContact CG1-CG1 3.83Å; I1038-I1073 HydrophobicContact CG2-CB 4.07Å; I1038-I1073 HydrophobicContact CG2-CG1 4.43Å; H1071-I1073 HydrophobicContact CB-CG1 4.43Å; I1073-W1077 HydrophobicContact CB-CE3 4.19Å; I1073-W1077 HydrophobicContact CD1-CD2 4.45Å; I1073-W1077 HydrophobicContact CD1-CE3 3.96Å; I1073-W1077 HydrophobicContact CD1-CH2 3.94Å; I1073-W1077 HydrophobicContact CD1-CZ2 4.43Å; I1073-W1077 HydrophobicContact CD1-CZ3 3.68Å; I1073-W1077 HydrophobicContact CG2-CB 3.69Å; I1073-W1077 HydrophobicContact CG2-CD2 3.42Å; I1073-W1077 VanDerWaalsContact CG2-CD2 3.42Å; I1073-W1077 HydrophobicContact CG2-CE3 3.52Å; I1073-W1077 HydrophobicContact CG2-CG 3.5Å; I1073-W1077 HydrophobicContact CG2-CZ3 4.32Å; I1073-L1091 HydrophobicContact CD1-CD1 3.7Å | ||
| 1074 | K | 65.7 | Low | 67.2 | Low | 156 Ų | 156 | 73.6 Ų | 73.6 | 68% | 0.678 | 35% | 0.35 | S | S | * | . | trans | -73.8 | 150.1 | -179.1 | -65.2 | 178.7 | -179.7 | 174.4 | 0 | 111.4 | S1076 W1077 L1078 | K1074-S1076 PolarHBondContact O-N 3.42Å; K1074-W1077 WeakPolarHBondContact O-CB 3.43Å; K1074-W1077 PolarHBondContact O-N 2.8Å; K1074-W1077 VanDerWaalsContact O-N 3.11Å; K1074-L1078 PolarHBondContact O-N 3.03Å | ||
| 1075 | E | 69.5 | Low | 67.4 | Low | 35 Ų | 35 | 67.1 Ų | 67.1 | 16% | 0.164 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -54.1 | -38.5 | 173.7 | -176 | 167 | -162.4 | 0 | 0 | 112.1 | L1040 W1077 L1078 T1079 | L1040-E1075 VanDerWaalsContact CD2-CA 3.5Å; L1040-E1075 HydrophobicContact CD2-CB 3.59Å; L1040-E1075 HydrophobicContact CD2-CG 3.81Å; E1075-W1077 VanDerWaalsContact C-N 3.31Å; E1075-W1077 PolarHBondContact O-N 2.69Å; E1075-L1078 WeakPolarHBondContact O-CB 3.35Å; E1075-L1078 PolarHBondContact O-N 3.02Å; E1075-T1079 PolarHBondContact O-N 3.38Å; E1075-T1079 PolarHBondContact O-OG1 3.34Å |
| 1076 | S | 70.7 | Confident | 67.6 | Low | 76 Ų | 76 | 64.5 Ų | 64.5 | 53% | 0.531 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -56.9 | -41 | 177.9 | 60.1 | 0 | 0 | 0 | 0 | 113.4 | K1074 L1078 T1079 E1080 | K1074-S1076 PolarHBondContact O-N 3.42Å; S1076-L1078 VanDerWaalsContact C-N 3.27Å; S1076-L1078 PolarHBondContact O-N 2.87Å; S1076-T1079 PolarHBondContact O-N 2.93Å; S1076-E1080 WeakPolarHBondContact O-CB 3.49Å; S1076-E1080 PolarHBondContact O-N 3.01Å |
| 1077 | W | 72.1 | Confident | 67.8 | Low | 20 Ų | 20 | 65.6 Ų | 65.6 | 8% | 0.076 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -64.8 | -37.3 | 177.4 | 176.9 | 88.7 | 0 | 0 | 0 | 111.1 | I1038 I1073 K1074 E1075 E1080 C1081 W1087 L1091 | I1038-W1077 HydrophobicContact CD1-CE3 4.44Å; I1038-W1077 HydrophobicContact CD1-CZ3 3.74Å; I1073-W1077 HydrophobicContact CB-CE3 4.19Å; I1073-W1077 HydrophobicContact CD1-CD2 4.45Å; I1073-W1077 HydrophobicContact CD1-CE3 3.96Å; I1073-W1077 HydrophobicContact CD1-CH2 3.94Å; I1073-W1077 HydrophobicContact CD1-CZ2 4.43Å; I1073-W1077 HydrophobicContact CD1-CZ3 3.68Å; I1073-W1077 HydrophobicContact CG2-CB 3.69Å; I1073-W1077 HydrophobicContact CG2-CD2 3.42Å; I1073-W1077 VanDerWaalsContact CG2-CD2 3.42Å; I1073-W1077 HydrophobicContact CG2-CE3 3.52Å; I1073-W1077 HydrophobicContact CG2-CG 3.5Å; I1073-W1077 HydrophobicContact CG2-CZ3 4.32Å; K1074-W1077 WeakPolarHBondContact O-CB 3.43Å; K1074-W1077 PolarHBondContact O-N 2.8Å; K1074-W1077 VanDerWaalsContact O-N 3.11Å; E1075-W1077 VanDerWaalsContact C-N 3.31Å; E1075-W1077 PolarHBondContact O-N 2.69Å; W1077-E1080 WeakPolarHBondContact O-CB 3.46Å; W1077-E1080 PolarHBondContact O-N 2.92Å; W1077-C1081 VanDerWaalsContact CZ2-SG 3.52Å; W1077-C1081 PolarHBondContact O-N 2.84Å; W1077-W1087 HydrophobicContact CH2-CH2 4.29Å; W1077-W1087 AromaticContact CH2-CZ2 3.82Å; W1077-W1087 HydrophobicContact CH2-CZ2 3.82Å; W1077-W1087 HydrophobicContact CZ2-CZ2 4.27Å; W1077-L1091 HydrophobicContact CH2-CD1 3.88Å; W1077-L1091 HydrophobicContact CZ2-CD1 3.36Å |
| 1078 | L | 71.9 | Confident | 67.9 | Low | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -73.7 | -38.7 | -178.2 | -158.7 | 135.6 | 0 | 0 | 0 | 111.4 | M976 L980 I1038 K1074 E1075 S1076 E1080 C1081 I1082 | M976-L1078 HydrophobicContact CG-CD2 3.49Å; M976-L1078 VanDerWaalsContact CG-CD2 3.49Å; M976-L1078 HydrophobicContact SD-CD2 3.45Å; M976-L1078 WeakPolarHBondContact SD-CD2 3.47Å; L980-L1078 HydrophobicContact CD1-CD1 4.05Å; L980-L1078 HydrophobicContact CD1-CD2 3.69Å; L980-L1078 HydrophobicContact CD1-CG 4.31Å; L980-L1078 HydrophobicContact CD2-CD1 4.08Å; L980-L1078 HydrophobicContact CD2-CD2 3.73Å; L980-L1078 HydrophobicContact CD2-CG 3.85Å; L980-L1078 HydrophobicContact CG-CD2 3.85Å; L980-L1078 HydrophobicContact CG-CG 4.46Å; I1038-L1078 HydrophobicContact CD1-CD1 3.69Å; I1038-L1078 HydrophobicContact CG2-CD1 3.88Å; K1074-L1078 PolarHBondContact O-N 3.03Å; E1075-L1078 WeakPolarHBondContact O-CB 3.35Å; E1075-L1078 PolarHBondContact O-N 3.02Å; S1076-L1078 VanDerWaalsContact C-N 3.27Å; S1076-L1078 PolarHBondContact O-N 2.87Å; L1078-E1080 PolarHBondContact O-N 3.32Å; L1078-C1081 PolarHBondContact O-N 3.41Å; L1078-I1082 HydrophobicContact CD2-CD1 3.79Å; L1078-I1082 WeakPolarHBondContact O-CG1 3.34Å; L1078-I1082 PolarHBondContact O-N 3.25Å |
| 1079 | T | 75.7 | Confident | 67.8 | Low | 55 Ų | 55 | 58.4 Ų | 58.4 | 34% | 0.337 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -59.5 | -37.8 | 169.1 | -42.6 | 0 | 0 | 0 | 0 | 111.3 | E1075 S1076 I1082 M1083 | E1075-T1079 PolarHBondContact O-N 3.38Å; E1075-T1079 PolarHBondContact O-OG1 3.34Å; S1076-T1079 PolarHBondContact O-N 2.93Å; T1079-I1082 PolarHBondContact O-N 3.42Å; T1079-M1083 HydrophobicContact CG2-CG 4.47Å; T1079-M1083 WeakPolarHBondContact O-CB 3.17Å; T1079-M1083 WeakPolarHBondContact O-CG 3.42Å; T1079-M1083 PolarHBondContact O-N 2.88Å |
| 1080 | E | 75.6 | Confident | 67.7 | Low | 85 Ų | 85 | 58.4 Ų | 58.4 | 40% | 0.397 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -70.2 | -42 | 178.5 | -166.1 | 156.9 | -158.8 | 0 | 0 | 112.6 | S1076 W1077 L1078 I1082 M1083 Q1084 | S1076-E1080 WeakPolarHBondContact O-CB 3.49Å; S1076-E1080 PolarHBondContact O-N 3.01Å; W1077-E1080 WeakPolarHBondContact O-CB 3.46Å; W1077-E1080 PolarHBondContact O-N 2.92Å; L1078-E1080 PolarHBondContact O-N 3.32Å; E1080-I1082 VanDerWaalsContact C-N 3.3Å; E1080-I1082 PolarHBondContact O-N 2.83Å; E1080-M1083 PolarHBondContact O-N 2.87Å; E1080-Q1084 HydrophobicContact CG-CG 4.33Å; E1080-Q1084 WeakPolarHBondContact O-CB 3.25Å; E1080-Q1084 WeakPolarHBondContact O-CG 3.19Å; E1080-Q1084 PolarHBondContact O-N 3.08Å; E1080-Q1084 PolarHBondContact OE1-NE2 3.09Å |
| 1081 | C | 73.5 | Confident | 67.6 | Low | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -59.1 | -40 | 171.4 | -74 | 0 | 0 | 0 | 0 | 112.4 | W1077 L1078 S1085 S1086 | W1077-C1081 VanDerWaalsContact CZ2-SG 3.52Å; W1077-C1081 PolarHBondContact O-N 2.84Å; L1078-C1081 PolarHBondContact O-N 3.41Å; C1081-S1085 PolarHBondContact O-N 2.82Å; C1081-S1085 VanDerWaalsContact O-N 3.17Å; C1081-S1086 PolarHBondContact O-N 3.04Å |
| 1082 | I | 76.1 | Confident | 66.9 | Low | 34 Ų | 34 | 60.7 Ų | 60.7 | 17% | 0.174 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -66.8 | -45.7 | 175.3 | -68.2 | 167.3 | 0 | 0 | 0 | 111 | M976 D979 L980 L983 L1078 T1079 E1080 Q1084 S1085 | M976-I1082 HydrophobicContact CG-CD1 3.7Å; D979-I1082 HydrophobicContact CB-CB 4.37Å; D979-I1082 HydrophobicContact CB-CD1 3.77Å; D979-I1082 HydrophobicContact CB-CG1 3.81Å; D979-I1082 HydrophobicContact CB-CG2 3.64Å; L980-I1082 HydrophobicContact CG-CD1 4.42Å; L983-I1082 HydrophobicContact CD1-CG1 4.17Å; L1078-I1082 HydrophobicContact CD2-CD1 3.79Å; L1078-I1082 WeakPolarHBondContact O-CG1 3.34Å; L1078-I1082 PolarHBondContact O-N 3.25Å; T1079-I1082 PolarHBondContact O-N 3.42Å; E1080-I1082 VanDerWaalsContact C-N 3.3Å; E1080-I1082 PolarHBondContact O-N 2.83Å; I1082-Q1084 PolarHBondContact O-N 3.28Å; I1082-S1085 PolarHBondContact O-N 2.97Å |
| 1083 | M | 77.7 | Confident | 66.1 | Low | 156 Ų | 156 | 63.1 Ų | 63.1 | 77% | 0.768 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -65.2 | -38.3 | 179.9 | -76.2 | -91.9 | 171.1 | 0 | 0 | 112.8 | T1079 E1080 | T1079-M1083 HydrophobicContact CG2-CG 4.47Å; T1079-M1083 WeakPolarHBondContact O-CB 3.17Å; T1079-M1083 WeakPolarHBondContact O-CG 3.42Å; T1079-M1083 PolarHBondContact O-N 2.88Å; E1080-M1083 PolarHBondContact O-N 2.87Å |
| 1084 | Q | 76.6 | Confident | 65.3 | Low | 92 Ų | 92 | 66.2 Ų | 66.2 | 43% | 0.43 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -86.9 | -4.9 | -178 | -65.8 | -175.8 | 8.6 | 0 | 0 | 113.3 | E1080 I1082 S1086 | E1080-Q1084 HydrophobicContact CG-CG 4.33Å; E1080-Q1084 WeakPolarHBondContact O-CB 3.25Å; E1080-Q1084 WeakPolarHBondContact O-CG 3.19Å; E1080-Q1084 PolarHBondContact O-N 3.08Å; E1080-Q1084 PolarHBondContact OE1-NE2 3.09Å; I1082-Q1084 PolarHBondContact O-N 3.28Å; Q1084-S1086 PolarHBondContact O-N 2.8Å |
| 1085 | S | 70 | Confident | 64.4 | Low | 62 Ų | 62 | 61.9 Ų | 61.9 | 43% | 0.434 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.8 | 25.4 | -175.1 | -76.5 | 0 | 0 | 0 | 0 | 113.4 | C1081 I1082 | C1081-S1085 PolarHBondContact O-N 2.82Å; C1081-S1085 VanDerWaalsContact O-N 3.17Å; I1082-S1085 PolarHBondContact O-N 2.97Å |
| 1086 | S | 68.3 | Low | 62.9 | Low | 47 Ų | 47 | 67.6 Ų | 67.6 | 33% | 0.329 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -149.6 | 161.3 | -170.4 | 82.2 | 0 | 0 | 0 | 0 | 111.2 | C1081 Q1084 | C1081-S1086 PolarHBondContact O-N 3.04Å; Q1084-S1086 PolarHBondContact O-N 2.8Å |
| 1087 | W | 65.9 | Low | 61.6 | Low | 43 Ų | 43 | 69.9 Ų | 69.9 | 16% | 0.163 | 36% | 0.362 | C | S | . | . | trans | -78.3 | 119.9 | 173.2 | -159.2 | -78.1 | 0 | 0 | 0 | 109 | P942 L943 Y946 W1077 S1089 L1091 | P942-W1087 HydrophobicContact CB-CB 4.2Å; L943-W1087 VanDerWaalsContact CA-CZ3 3.44Å; L943-W1087 HydrophobicContact CB-CE3 4.01Å; L943-W1087 HydrophobicContact CB-CZ3 3.52Å; L943-W1087 HydrophobicContact CD2-CD2 4.05Å; L943-W1087 HydrophobicContact CD2-CE3 3.12Å; L943-W1087 HydrophobicContact CD2-CH2 3.75Å; L943-W1087 HydrophobicContact CD2-CZ3 2.95Å; L943-W1087 HydrophobicContact CG-CE3 3.89Å; L943-W1087 HydrophobicContact CG-CZ3 3.65Å; Y946-W1087 AromaticContact CD1-CH2 3.15Å; Y946-W1087 HydrophobicContact CD1-CH2 3.15Å; Y946-W1087 AromaticContact CD1-CZ2 3.83Å; Y946-W1087 HydrophobicContact CD1-CZ2 3.83Å; Y946-W1087 AromaticContact CD1-CZ3 3.78Å; Y946-W1087 HydrophobicContact CD1-CZ3 3.78Å; Y946-W1087 HydrophobicContact CD2-CE3 4.37Å; Y946-W1087 AromaticContact CD2-CH2 3.79Å; Y946-W1087 HydrophobicContact CD2-CH2 3.79Å; Y946-W1087 AromaticContact CD2-CZ3 3.49Å; Y946-W1087 HydrophobicContact CD2-CZ3 3.49Å; Y946-W1087 VanDerWaalsContact CD2-CZ3 3.49Å; Y946-W1087 AromaticContact CE1-CH2 3.2Å; Y946-W1087 HydrophobicContact CE1-CH2 3.2Å; Y946-W1087 AromaticContact CE1-CZ2 3.43Å; Y946-W1087 HydrophobicContact CE1-CZ2 3.43Å; Y946-W1087 VanDerWaalsContact CE1-CZ2 3.43Å; Y946-W1087 AromaticContact CE1-CZ3 3.85Å; Y946-W1087 HydrophobicContact CE1-CZ3 3.85Å; Y946-W1087 HydrophobicContact CE2-CE3 4.11Å; Y946-W1087 AromaticContact CE2-CH2 3.85Å; Y946-W1087 HydrophobicContact CE2-CH2 3.85Å; Y946-W1087 HydrophobicContact CE2-CZ2 4.45Å; Y946-W1087 AromaticContact CE2-CZ3 3.58Å; Y946-W1087 HydrophobicContact CE2-CZ3 3.58Å; Y946-W1087 AromaticContact CG-CH2 3.47Å; Y946-W1087 HydrophobicContact CG-CH2 3.47Å; Y946-W1087 VanDerWaalsContact CG-CH2 3.47Å; Y946-W1087 HydrophobicContact CG-CZ2 4.49Å; Y946-W1087 AromaticContact CG-CZ3 3.61Å; Y946-W1087 HydrophobicContact CG-CZ3 3.61Å; Y946-W1087 AromaticContact CZ-CH2 3.59Å; Y946-W1087 AromaticContact CZ-CZ2 3.8Å; Y946-W1087 AromaticContact CZ-CZ3 3.77Å; W1077-W1087 HydrophobicContact CH2-CH2 4.29Å; W1077-W1087 AromaticContact CH2-CZ2 3.82Å; W1077-W1087 HydrophobicContact CH2-CZ2 3.82Å; W1077-W1087 HydrophobicContact CZ2-CZ2 4.27Å; W1087-S1089 PolarHBondContact O-N 2.9Å; W1087-L1091 HydrophobicContact CZ2-CD1 4.46Å | ||
| 1088 | C | 57.4 | Low | 59.8 | Low | 8 Ų | 8 | 76.3 Ų | 76.3 | 5% | 0.054 | 40% | 0.398 | C | S | . | . | trans | -63.3 | 129.8 | 179.1 | -172.9 | 0 | 0 | 0 | 0 | 110.9 | E1090 L1091 | C1088-E1090 PolarHBondContact O-N 2.97Å; C1088-E1090 PolarHBondContact SG-OE2 3.37Å; C1088-E1090 VanDerWaalsContact SG-OE2 3.37Å; C1088-L1091 PolarHBondContact O-N 3.06Å | ||
| 1089 | S | 53.3 | Low | 59.1 | Low | 88 Ų | 88 | 80.2 Ų | 80.2 | 62% | 0.615 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -19.7 | -176.9 | 60.8 | 0 | 0 | 0 | 0 | 115 | W1087 L1091 N1092 | W1087-S1089 PolarHBondContact O-N 2.9Å; S1089-L1091 PolarHBondContact O-N 3.3Å; S1089-L1091 VanDerWaalsContact O-N 3.14Å; S1089-N1092 WeakPolarHBondContact O-CB 3.37Å; S1089-N1092 PolarHBondContact O-N 3.36Å |
| 1090 | E | 55.7 | Low | 58.3 | Low | 119 Ų | 119 | 81.5 Ų | 81.5 | 56% | 0.556 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -62 | -24.2 | -177.4 | -68.1 | 166.8 | 154.3 | 0 | 0 | 113.5 | C1088 | C1088-E1090 PolarHBondContact O-N 2.97Å; C1088-E1090 PolarHBondContact SG-OE2 3.37Å; C1088-E1090 VanDerWaalsContact SG-OE2 3.37Å |
| 1091 | L | 52.5 | Low | 57.3 | Low | 4 Ų | 4 | 81.3 Ų | 81.3 | 2% | 0.021 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -83.9 | -20.5 | 176.3 | -122.2 | 149.2 | 0 | 0 | 0 | 113.5 | I1073 W1077 W1087 C1088 S1089 H1093 L1094 I1095 | I1073-L1091 HydrophobicContact CD1-CD1 3.7Å; W1077-L1091 HydrophobicContact CH2-CD1 3.88Å; W1077-L1091 HydrophobicContact CZ2-CD1 3.36Å; W1087-L1091 HydrophobicContact CZ2-CD1 4.46Å; C1088-L1091 PolarHBondContact O-N 3.06Å; S1089-L1091 PolarHBondContact O-N 3.3Å; S1089-L1091 VanDerWaalsContact O-N 3.14Å; L1091-H1093 PolarHBondContact O-N 3.32Å; L1091-L1094 HydrophobicContact CD2-CB 4.07Å; L1091-L1094 HydrophobicContact CG-CB 4.37Å; L1091-L1094 HydrophobicContact CG-CD1 4.21Å; L1091-L1094 CarbonylContact O-C 3.54Å; L1091-L1094 PolarHBondContact O-N 3.23Å; L1091-I1095 HydrophobicContact CD2-CD1 4.39Å; L1091-I1095 HydrophobicContact CD2-CG1 4.19Å; L1091-I1095 VanDerWaalsContact O-CG1 3.31Å; L1091-I1095 WeakPolarHBondContact O-CG1 3.49Å; L1091-I1095 PolarHBondContact O-N 3.49Å |
| 1092 | N | 48.2 | Very low | 56.4 | Low | 97 Ų | 97 | 86.1 Ų | 86.1 | 52% | 0.519 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -61.4 | -34.4 | 169.2 | -82 | -16.6 | 0 | 0 | 0 | 110.6 | S1089 L1094 I1095 E1096 | S1089-N1092 WeakPolarHBondContact O-CB 3.37Å; S1089-N1092 PolarHBondContact O-N 3.36Å; N1092-L1094 VanDerWaalsContact C-N 3.33Å; N1092-L1094 PolarHBondContact O-N 3.39Å; N1092-I1095 PolarHBondContact O-N 3.12Å; N1092-E1096 PolarHBondContact O-N 2.78Å |
| 1093 | H | 47 | Very low | 55.1 | Low | 127 Ų | 127 | 89.3 Ų | 89.3 | 59% | 0.588 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -66.8 | -32.8 | 172.4 | -111.4 | -50.4 | 0 | 0 | 0 | 113 | L1091 I1097 | L1091-H1093 PolarHBondContact O-N 3.32Å; H1093-I1097 WeakPolarHBondContact O-CB 3.43Å; H1093-I1097 WeakPolarHBondContact O-CD1 3.35Å; H1093-I1097 WeakPolarHBondContact O-CG1 3.45Å; H1093-I1097 PolarHBondContact O-N 3.44Å |
| 1094 | L | 47.1 | Very low | 53.6 | Low | 86 Ų | 86 | 84.9 Ų | 84.9 | 45% | 0.45 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -77.9 | -28.2 | 175.2 | -81.4 | 160.3 | 0 | 0 | 0 | 113 | L1091 N1092 | L1091-L1094 HydrophobicContact CD2-CB 4.07Å; L1091-L1094 HydrophobicContact CG-CB 4.37Å; L1091-L1094 HydrophobicContact CG-CD1 4.21Å; L1091-L1094 CarbonylContact O-C 3.54Å; L1091-L1094 PolarHBondContact O-N 3.23Å; N1092-L1094 VanDerWaalsContact C-N 3.33Å; N1092-L1094 PolarHBondContact O-N 3.39Å |
| 1095 | I | 46.7 | Very low | 52 | Low | 66 Ų | 66 | 84.4 Ų | 84.4 | 34% | 0.338 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -74.8 | -29.3 | 173.7 | -66.6 | 166.8 | 0 | 0 | 0 | 110.9 | L1091 N1092 | L1091-I1095 HydrophobicContact CD2-CD1 4.39Å; L1091-I1095 HydrophobicContact CD2-CG1 4.19Å; L1091-I1095 VanDerWaalsContact O-CG1 3.31Å; L1091-I1095 WeakPolarHBondContact O-CG1 3.49Å; L1091-I1095 PolarHBondContact O-N 3.49Å; N1092-I1095 PolarHBondContact O-N 3.12Å |
| 1096 | E | 39.8 | Very low | 50.6 | Low | 155 Ų | 155 | 86.1 Ų | 86.1 | 72% | 0.724 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -81.5 | -15.5 | 173.3 | -75.5 | -176.7 | 169.6 | 0 | 0 | 114.1 | N1092 | N1092-E1096 PolarHBondContact O-N 2.78Å |
| 1097 | I | 43.3 | Very low | 49.1 | Very low | 123 Ų | 123 | 89.3 Ų | 89.3 | 63% | 0.631 | 46% | 0.458 | S | S | * | . | trans | -91.1 | -6.9 | -179.5 | -70.3 | 168 | 0 | 0 | 0 | 112.6 | H1093 | H1093-I1097 WeakPolarHBondContact O-CB 3.43Å; H1093-I1097 WeakPolarHBondContact O-CD1 3.35Å; H1093-I1097 WeakPolarHBondContact O-CG1 3.45Å; H1093-I1097 PolarHBondContact O-N 3.44Å | ||
| 1098 | N | 32.5 | Very low | 47.6 | Very low | 156 Ų | 156 | 93.5 Ų | 93.5 | 83% | 0.834 | 49% | 0.485 | S | S | * | . | trans | -118.3 | 0 | 174.5 | -88.6 | -20.1 | 0 | 0 | 0 | 111.2 |
Retrieved 1,098 of 1,098 residues in 1507.4 ms
(Link to these results)