| 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 | 56.2 | Low | 89.9 | Confident | 187 Ų | 187 | 39.6 Ų | 39.6 | 92% | 0.921 | 23% | 0.23 | S | C | * | . | 0 | 150.4 | 0 | -87.7 | -173.3 | -97.9 | 0 | 0 | 108.9 | A3 Y76 A119 | M1-A3 PolarHBondContact O-N 3.5Å; M1-Y76 PolarHBondContact O-OH 3.48Å; M1-A119 HydrophobicContact CE-CB 3.62Å; M1-A119 HydrophobicContact SD-CB 4.49Å | |||
| 2 | A | 73.9 | Confident | 90.1 | Very high | 76 Ų | 76 | 44.4 Ų | 44.4 | 63% | 0.628 | 25% | 0.25 | S | S | * | . | trans | -84.4 | 94.5 | 179 | 0 | 0 | 0 | 0 | 0 | 109.8 | Y76 | A2-Y76 WeakPolarHBondContact CA-OH 3.41Å; A2-Y76 HydrophobicContact CB-CE2 3.63Å | ||
| 3 | A | 88.7 | Confident | 90 | Very high | 10 Ų | 10 | 42.1 Ų | 42.1 | 8% | 0.083 | 24% | 0.237 | C | C | . | . | trans | -100 | 150.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | M1 D77 V115 R116 | M1-A3 PolarHBondContact O-N 3.5Å; A3-D77 HydrophobicContact CB-CB 3.83Å; A3-D77 WeakPolarHBondContact O-CB 3.35Å; A3-D77 PolarHBondContact O-N 3.02Å; A3-V115 HydrophobicContact CB-CG1 4.22Å; A3-R116 WeakPolarHBondContact CA-O 3.12Å | ||
| 4 | A | 93 | Very high | 88.7 | Confident | 21 Ų | 21 | 43.8 Ų | 43.8 | 17% | 0.174 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 129.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | Q74 S75 V115 R116 | A4-Q74 HydrophobicContact CB-CG 3.95Å; A4-S75 CarbonylContact C-O 3.5Å; A4-S75 VanDerWaalsContact CA-O 3.27Å; A4-S75 WeakPolarHBondContact CA-O 3.44Å; A4-V115 CarbonylContact O-C 3.59Å; A4-R116 PolarHBondContact N-O 3.29Å; A4-R116 PolarHBondContact O-N 3.3Å |
| 5 | R | 94.4 | Very high | 87.2 | Confident | 21 Ų | 21 | 44.9 Ų | 44.9 | 8% | 0.079 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 121.2 | 172.1 | -177 | 177.1 | 173.5 | -116 | 11.5 | 109 | Q74 S75 D77 K83 D87 P113 | R5-Q74 WeakPolarHBondContact O-CA 3.2Å; R5-S75 PolarHBondContact N-O 3.41Å; R5-S75 PolarHBondContact O-N 3.04Å; R5-D77 HydrophobicContact CB-CB 4.27Å; R5-K83 VanDerWaalsContact NH1-CG 3.27Å; R5-D87 IonicContact CZ-OD1 2.66Å; R5-D87 IonicContact NH1-OD1 2.69Å; R5-D87 PolarHBondContact NH1-OD1 3.14Å; R5-D87 IonicContact NH1-OD2 3.88Å; R5-D87 IonicContact NH2-OD1 2.62Å; R5-D87 PolarHBondContact NH2-OD1 2.78Å; R5-D87 IonicContact NH2-OD2 3.02Å; R5-D87 PolarHBondContact NH2-OD2 2.79Å; R5-P113 HydrophobicContact CG-CB 3.77Å |
| 6 | H | 97 | Very high | 85.7 | Confident | 36 Ų | 36 | 53.7 Ų | 53.7 | 17% | 0.167 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 111.9 | 179.3 | -168.1 | 121 | 0 | 0 | 0 | 109.8 | D72 L73 Q74 P113 I114 | H6-D72 IonicContact CD2-OD1 3.7Å; H6-D72 IonicContact CE1-OD1 3.88Å; H6-D72 IonicContact NE2-OD1 2.79Å; H6-D72 PolarHBondContact NE2-OD1 3.44Å; H6-L73 CarbonylContact C-O 3.52Å; H6-L73 WeakPolarHBondContact CA-O 3.3Å; H6-Q74 PolarHBondContact ND1-NE2 2.83Å; H6-P113 CarbonylContact O-C 3.58Å; H6-P113 VanDerWaalsContact O-CA 3.24Å; H6-P113 WeakPolarHBondContact O-CA 2.94Å; H6-P113 WeakPolarHBondContact O-CB 3.34Å; H6-I114 PolarHBondContact N-O 3.48Å; H6-I114 PolarHBondContact O-N 2.99Å |
| 7 | S | 97.8 | Very high | 84.5 | Confident | 1 Ų | 1 | 52.6 Ų | 52.6 | 1% | 0.007 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 141.7 | 177.4 | -58.4 | 0 | 0 | 0 | 0 | 110.6 | D72 L73 P113 | S7-D72 WeakPolarHBondContact O-CA 3.49Å; S7-L73 PolarHBondContact N-O 3.5Å; S7-L73 PolarHBondContact O-N 2.93Å; S7-P113 WeakPolarHBondContact OG-CB 3.33Å; S7-P113 WeakPolarHBondContact OG-CG 3.39Å |
| 8 | T | 98.4 | Very high | 84.4 | Confident | 30 Ų | 30 | 54.4 Ų | 54.4 | 18% | 0.184 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 150.3 | 178.1 | 62.3 | 0 | 0 | 0 | 0 | 112.1 | L71 | T8-L71 CarbonylContact C-O 3.57Å; T8-L71 WeakPolarHBondContact CA-O 3.37Å |
| 9 | L | 98.3 | Very high | 84.5 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 120.5 | 174.4 | 175.9 | 65.8 | 0 | 0 | 0 | 110.3 | F11 L71 L90 V93 E94 V108 R110 | L9-F11 HydrophobicContact CD1-CE2 4.3Å; L9-F11 HydrophobicContact CD1-CZ 4.16Å; L9-F11 HydrophobicContact CD2-CE2 3.61Å; L9-F11 HydrophobicContact CD2-CZ 3.6Å; L9-F11 HydrophobicContact CG-CD2 4.38Å; L9-F11 HydrophobicContact CG-CE2 3.54Å; L9-F11 HydrophobicContact CG-CZ 3.79Å; L9-L71 HydrophobicContact CB-CB 4.37Å; L9-L71 HydrophobicContact CD2-CD2 4.44Å; L9-L71 PolarHBondContact N-O 3.35Å; L9-L71 PolarHBondContact O-N 2.9Å; L9-L90 HydrophobicContact CB-CD2 3.64Å; L9-L90 HydrophobicContact CD2-CD2 3.86Å; L9-L90 HydrophobicContact CG-CD2 4.41Å; L9-V93 HydrophobicContact CD2-CB 4.3Å; L9-V93 HydrophobicContact CD2-CG1 3.99Å; L9-E94 HydrophobicContact CD1-CG 3.8Å; L9-E94 HydrophobicContact CD2-CG 3.59Å; L9-E94 HydrophobicContact CG-CG 4.33Å; L9-V108 HydrophobicContact CD1-CG1 3.67Å; L9-R110 HydrophobicContact CD1-CB 3.91Å; L9-R110 HydrophobicContact CD1-CG 4.34Å |
| 10 | D | 97.2 | Very high | 84.8 | Confident | 50 Ų | 50 | 53.9 Ų | 53.9 | 27% | 0.267 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 136.8 | -173.8 | -49.4 | -22.7 | 0 | 0 | 0 | 110.5 | V69 L70 V108 K109 | D10-V69 WeakPolarHBondContact CA-O 3.33Å; D10-L70 HydrophobicContact CB-CD2 3.87Å; D10-L70 WeakPolarHBondContact OD1-CD2 3.35Å; D10-V108 CarbonylContact O-C 3.54Å; D10-V108 VanDerWaalsContact O-CA 3.29Å; D10-V108 WeakPolarHBondContact O-CA 3.31Å; D10-K109 HydrophobicContact CB-CB 4.28Å; D10-K109 PolarHBondContact N-O 3.48Å; D10-K109 PolarHBondContact O-N 3.02Å |
| 11 | F | 94.2 | Very high | 85.1 | Confident | 4 Ų | 4 | 54.7 Ų | 54.7 | 2% | 0.018 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 127.5 | 172.2 | -56.6 | -96.8 | 0 | 0 | 0 | 110.3 | L9 L13 L68 V69 V93 E94 M97 V108 | L9-F11 HydrophobicContact CD1-CE2 4.3Å; L9-F11 HydrophobicContact CD1-CZ 4.16Å; L9-F11 HydrophobicContact CD2-CE2 3.61Å; L9-F11 HydrophobicContact CD2-CZ 3.6Å; L9-F11 HydrophobicContact CG-CD2 4.38Å; L9-F11 HydrophobicContact CG-CE2 3.54Å; L9-F11 HydrophobicContact CG-CZ 3.79Å; F11-L13 HydrophobicContact CB-CD2 4.21Å; F11-L68 WeakPolarHBondContact O-CA 3.45Å; F11-V69 HydrophobicContact CB-CB 4.21Å; F11-V69 HydrophobicContact CD2-CB 4.38Å; F11-V69 HydrophobicContact CD2-CG1 4.49Å; F11-V69 PolarHBondContact N-O 3.1Å; F11-V69 PolarHBondContact O-N 3.1Å; F11-V93 HydrophobicContact CE2-CG1 3.87Å; F11-V93 HydrophobicContact CZ-CG1 3.98Å; F11-E94 HydrophobicContact CZ-CG 4.2Å; F11-M97 HydrophobicContact CB-CE 3.96Å; F11-M97 HydrophobicContact CD1-CB 3.9Å; F11-M97 HydrophobicContact CD1-CE 4Å; F11-M97 HydrophobicContact CD1-CG 4.07Å; F11-M97 HydrophobicContact CD2-CE 4.09Å; F11-M97 HydrophobicContact CD2-CG 4.25Å; F11-M97 HydrophobicContact CE1-CB 3.43Å; F11-M97 VanDerWaalsContact CE1-CB 3.43Å; F11-M97 HydrophobicContact CE1-CG 3.68Å; F11-M97 HydrophobicContact CE2-CG 3.85Å; F11-M97 HydrophobicContact CG-CE 3.76Å; F11-M97 HydrophobicContact CG-CG 4.36Å; F11-M97 HydrophobicContact CZ-CB 3.78Å; F11-M97 HydrophobicContact CZ-CG 3.54Å; F11-V108 HydrophobicContact CD1-CB 4.43Å; F11-V108 HydrophobicContact CD1-CG1 4.12Å; F11-V108 HydrophobicContact CD1-CG2 3.65Å; F11-V108 HydrophobicContact CE1-CG1 3.89Å; F11-V108 HydrophobicContact CE1-CG2 3.88Å; F11-V108 HydrophobicContact CZ-CG1 4.44Å |
| 12 | M | 92.3 | Very high | 86.8 | Confident | 97 Ų | 97 | 46.1 Ų | 46.1 | 48% | 0.478 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 111.1 | 167.7 | -172.5 | 65.9 | 70.1 | 0 | 0 | 108.7 | L68 G106 R107 | M12-L68 HydrophobicContact CE-CD1 3.9Å; M12-G106 CarbonylContact O-C 3.5Å; M12-G106 WeakPolarHBondContact O-CA 3.44Å; M12-G106 PolarHBondContact O-N 2.78Å; M12-R107 HydrophobicContact CB-CB 4.22Å; M12-R107 PolarHBondContact N-O 2.92Å; M12-R107 PolarHBondContact O-N 3.31Å |
| 13 | L | 89.3 | Confident | 87.8 | Confident | 14 Ų | 14 | 43 Ų | 43 | 7% | 0.073 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 140.2 | -173.5 | -53.9 | 176.7 | 0 | 0 | 0 | 110.9 | F11 A15 A17 I22 G67 V69 M97 T105 | F11-L13 HydrophobicContact CB-CD2 4.21Å; L13-A15 VanDerWaalsContact C-N 3.32Å; L13-A15 PolarHBondContact O-N 3.3Å; L13-A17 HydrophobicContact CD1-CB 3.56Å; L13-I22 HydrophobicContact CD1-CD1 3.46Å; L13-I22 VanDerWaalsContact CD1-CD1 3.46Å; L13-G67 WeakPolarHBondContact CB-O 3.34Å; L13-G67 WeakPolarHBondContact CG-O 3.43Å; L13-G67 PolarHBondContact N-O 3.18Å; L13-V69 HydrophobicContact CD1-CG2 4.16Å; L13-M97 HydrophobicContact CD1-CE 4.14Å; L13-M97 HydrophobicContact CD2-CE 4.02Å; L13-T105 HydrophobicContact CD2-CG2 4.27Å |
| 14 | G | 71.6 | Confident | 88.1 | Confident | 66 Ų | 66 | 48.4 Ų | 48.4 | 68% | 0.68 | 28% | 0.275 | S | S | * | . | S | Bend | trans | -75.1 | -14.5 | -173.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | S104 | G14-S104 PolarHBondContact N-O 3.36Å; G14-S104 VanDerWaalsContact N-O 3.1Å |
| 15 | A | 65.9 | Low | 88.1 | Confident | 60 Ų | 60 | 47.6 Ų | 47.6 | 50% | 0.496 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -131.3 | 170 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | L13 A17 | L13-A15 VanDerWaalsContact C-N 3.32Å; L13-A15 PolarHBondContact O-N 3.3Å; A15-A17 PolarHBondContact O-N 3.28Å |
| 16 | K | 62.7 | Low | 88.2 | Confident | 186 Ų | 186 | 46.6 Ų | 46.6 | 81% | 0.809 | 27% | 0.266 | S | S | * | . | trans | -65 | 77.3 | 164.1 | -74.3 | -174.5 | 178.6 | -176.6 | 0 | 108.6 | D18 | K16-D18 PolarHBondContact O-N 2.95Š| ||
| 17 | A | 65 | Low | 88.1 | Confident | 36 Ų | 36 | 46.9 Ų | 46.9 | 30% | 0.298 | 27% | 0.267 | S | S | . | . | trans | -58.7 | 134 | 165.2 | 0 | 0 | 0 | 0 | 0 | 107.5 | L13 A15 G19 I22 | L13-A17 HydrophobicContact CD1-CB 3.56Å; A15-A17 PolarHBondContact O-N 3.28Å; A17-G19 PolarHBondContact O-N 3.44Å; A17-G19 VanDerWaalsContact O-N 3.09Å; A17-I22 HydrophobicContact CB-CD1 3.71Å; A17-I22 HydrophobicContact CB-CG1 4.44Å | ||
| 18 | D | 83.3 | Confident | 87.9 | Confident | 85 Ų | 85 | 48.9 Ų | 48.9 | 46% | 0.455 | 28% | 0.281 | S | S | . | . | trans | -65 | 113 | 179.7 | 171.1 | 37.7 | 0 | 0 | 0 | 109.4 | K16 E20 T21 I22 | K16-D18 PolarHBondContact O-N 2.95Å; D18-E20 PolarHBondContact O-N 3.03Å; D18-E20 PolarHBondContact OD1-N 2.92Å; D18-T21 WeakPolarHBondContact O-CB 3.37Å; D18-T21 PolarHBondContact O-N 3.23Å; D18-T21 VanDerWaalsContact O-N 3.08Å; D18-T21 WeakPolarHBondContact OD2-CB 3.38Å; D18-T21 PolarHBondContact OD2-N 3.4Å; D18-T21 PolarHBondContact OD2-OG1 3.09Å; D18-I22 PolarHBondContact O-N 3.26Å | ||
| 19 | G | 87.1 | Confident | 87.8 | Confident | 14 Ų | 14 | 47.9 Ų | 47.9 | 14% | 0.144 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61.2 | -29.3 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | A17 I22 L23 | A17-G19 PolarHBondContact O-N 3.44Å; A17-G19 VanDerWaalsContact O-N 3.09Å; G19-I22 PolarHBondContact O-N 3.42Å; G19-L23 WeakPolarHBondContact O-CB 3.41Å; G19-L23 PolarHBondContact O-N 3.45Å |
| 20 | E | 90.5 | Very high | 87.7 | Confident | 83 Ų | 83 | 47.9 Ų | 47.9 | 39% | 0.388 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -69.2 | -42.9 | 174.8 | -168 | -177 | 162.8 | 0 | 0 | 111.3 | D18 I22 L23 K24 | D18-E20 PolarHBondContact O-N 3.03Å; D18-E20 PolarHBondContact OD1-N 2.92Å; E20-I22 VanDerWaalsContact C-N 3.34Å; E20-I22 PolarHBondContact O-N 3.35Å; E20-L23 PolarHBondContact O-N 3.18Å; E20-K24 HydrophobicContact CG-CD 4.25Å; E20-K24 WeakPolarHBondContact O-CB 3.47Å; E20-K24 WeakPolarHBondContact O-CG 3.32Å; E20-K24 PolarHBondContact O-N 2.94Å; E20-K24 WeakPolarHBondContact OE1-CE 3.27Å; E20-K24 IonicContact OE1-NZ 2.83Å; E20-K24 PolarHBondContact OE1-NZ 3.08Å |
| 21 | T | 90.8 | Very high | 87.5 | Confident | 72 Ų | 72 | 50.4 Ų | 50.4 | 44% | 0.442 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -59.8 | -42.2 | 172.9 | -65.3 | 0 | 0 | 0 | 0 | 111.9 | D18 G25 L100 | D18-T21 WeakPolarHBondContact O-CB 3.37Å; D18-T21 PolarHBondContact O-N 3.23Å; D18-T21 VanDerWaalsContact O-N 3.08Å; D18-T21 WeakPolarHBondContact OD2-CB 3.38Å; D18-T21 PolarHBondContact OD2-N 3.4Å; D18-T21 PolarHBondContact OD2-OG1 3.09Å; T21-G25 PolarHBondContact O-N 3.49Å; T21-L100 HydrophobicContact CG2-CD2 4.48Å |
| 22 | I | 92.3 | Very high | 87.5 | Confident | 7 Ų | 7 | 56.7 Ų | 56.7 | 4% | 0.036 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -63.5 | -49.7 | 176.2 | -66.3 | 171.5 | 0 | 0 | 0 | 110.7 | L13 A17 D18 G19 E20 K24 G25 L26 I63 V69 M97 | L13-I22 HydrophobicContact CD1-CD1 3.46Å; L13-I22 VanDerWaalsContact CD1-CD1 3.46Å; A17-I22 HydrophobicContact CB-CD1 3.71Å; A17-I22 HydrophobicContact CB-CG1 4.44Å; D18-I22 PolarHBondContact O-N 3.26Å; G19-I22 PolarHBondContact O-N 3.42Å; E20-I22 VanDerWaalsContact C-N 3.34Å; E20-I22 PolarHBondContact O-N 3.35Å; I22-K24 PolarHBondContact O-N 2.96Å; I22-G25 PolarHBondContact O-N 2.97Å; I22-G25 VanDerWaalsContact O-N 3.14Å; I22-L26 HydrophobicContact CG2-CD1 3.87Å; I22-L26 HydrophobicContact CG2-CG 4.37Å; I22-L26 WeakPolarHBondContact O-CG 3.44Å; I22-L26 PolarHBondContact O-N 3.36Å; I22-I63 HydrophobicContact CB-CD1 4.34Å; I22-I63 HydrophobicContact CG2-CD1 3.94Å; I22-I63 HydrophobicContact CG2-CG1 4.36Å; I22-V69 HydrophobicContact CD1-CG2 3.99Å; I22-V69 HydrophobicContact CG2-CG2 4.31Å; I22-M97 HydrophobicContact CG2-CE 4.43Å; I22-M97 HydrophobicContact CG2-SD 3.97Å |
| 23 | L | 94.5 | Very high | 87.5 | Confident | 10 Ų | 10 | 54.9 Ų | 54.9 | 5% | 0.052 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -55.3 | -53.3 | 179.8 | 178.3 | 60.5 | 0 | 0 | 0 | 110.7 | G19 E20 G25 L26 Q27 V39 Y47 A49 L61 I63 | G19-L23 WeakPolarHBondContact O-CB 3.41Å; G19-L23 PolarHBondContact O-N 3.45Å; E20-L23 PolarHBondContact O-N 3.18Å; L23-G25 VanDerWaalsContact C-N 3.29Å; L23-G25 PolarHBondContact O-N 3.44Å; L23-L26 PolarHBondContact O-N 2.99Å; L23-Q27 VanDerWaalsContact O-CG 3.29Å; L23-Q27 WeakPolarHBondContact O-CG 3.28Å; L23-Q27 PolarHBondContact O-N 3.36Å; L23-Q27 VanDerWaalsContact O-N 3.1Å; L23-V39 HydrophobicContact CD2-CG1 3.86Å; L23-V39 HydrophobicContact CD2-CG2 4.45Å; L23-Y47 HydrophobicContact CD2-CD1 3.88Å; L23-Y47 HydrophobicContact CD2-CE1 4.46Å; L23-Y47 HydrophobicContact CD2-CG 4.23Å; L23-A49 HydrophobicContact CD1-CB 3.68Å; L23-L61 HydrophobicContact CD1-CD2 4.33Å; L23-I63 HydrophobicContact CB-CD1 3.72Å; L23-I63 HydrophobicContact CD1-CD1 4.24Å |
| 24 | K | 94.1 | Very high | 87.7 | Confident | 123 Ų | 123 | 57 Ų | 57 | 54% | 0.535 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -62 | -36.1 | 177.6 | -73.1 | 174.2 | 172.4 | 169.9 | 0 | 112.7 | E20 I22 | E20-K24 HydrophobicContact CG-CD 4.25Å; E20-K24 WeakPolarHBondContact O-CB 3.47Å; E20-K24 WeakPolarHBondContact O-CG 3.32Å; E20-K24 PolarHBondContact O-N 2.94Å; E20-K24 WeakPolarHBondContact OE1-CE 3.27Å; E20-K24 IonicContact OE1-NZ 2.83Å; E20-K24 PolarHBondContact OE1-NZ 3.08Å; I22-K24 PolarHBondContact O-N 2.96Å |
| 25 | G | 93.9 | Very high | 88.9 | Confident | 5 Ų | 5 | 54.4 Ų | 54.4 | 5% | 0.052 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -67.3 | -34.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | T21 I22 L23 R96 | T21-G25 PolarHBondContact O-N 3.49Å; I22-G25 PolarHBondContact O-N 2.97Å; I22-G25 VanDerWaalsContact O-N 3.14Å; L23-G25 VanDerWaalsContact C-N 3.29Å; L23-G25 PolarHBondContact O-N 3.44Å; G25-R96 PolarHBondContact O-NE 3.23Å; G25-R96 PolarHBondContact O-NH2 3.1Å; G25-R96 VanDerWaalsContact O-NH2 3.11Å |
| 26 | L | 96.1 | Very high | 90.3 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -91.3 | -19.9 | -178.4 | -64.1 | -179.6 | 0 | 0 | 0 | 114 | I22 L23 S28 I29 F30 L61 V93 R96 M97 L100 | I22-L26 HydrophobicContact CG2-CD1 3.87Å; I22-L26 HydrophobicContact CG2-CG 4.37Å; I22-L26 WeakPolarHBondContact O-CG 3.44Å; I22-L26 PolarHBondContact O-N 3.36Å; L23-L26 PolarHBondContact O-N 2.99Å; L26-S28 VanDerWaalsContact C-N 3.3Å; L26-S28 PolarHBondContact O-N 3.04Å; L26-I29 HydrophobicContact CD2-CD1 4.04Å; L26-I29 WeakPolarHBondContact O-CB 3.4Å; L26-I29 PolarHBondContact O-N 2.94Å; L26-I29 VanDerWaalsContact O-N 3.14Å; L26-F30 HydrophobicContact CB-CE2 4.47Å; L26-F30 WeakPolarHBondContact O-CD2 3.47Å; L26-L61 HydrophobicContact CB-CD2 4.23Å; L26-L61 HydrophobicContact CD1-CD1 4.06Å; L26-L61 HydrophobicContact CD1-CD2 3.9Å; L26-V93 HydrophobicContact CD1-CG1 4.32Å; L26-V93 HydrophobicContact CD2-CG1 4.1Å; L26-R96 HydrophobicContact CD2-CB 3.98Å; L26-R96 HydrophobicContact CD2-CG 3.68Å; L26-M97 HydrophobicContact CD1-CG 4.38Å; L26-M97 HydrophobicContact CD1-SD 3.85Å; L26-M97 HydrophobicContact CD2-CG 4.06Å; L26-M97 HydrophobicContact CD2-SD 4.12Å; L26-M97 HydrophobicContact CG-SD 4.25Å; L26-L100 HydrophobicContact CD2-CD1 4.15Å; L26-L100 HydrophobicContact CG-CD1 4.27Å |
| 27 | Q | 94.3 | Very high | 92 | Very high | 41 Ų | 41 | 48.6 Ų | 48.6 | 19% | 0.192 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -49.3 | -44.5 | -177.6 | -94.9 | 173.2 | -11.6 | 0 | 0 | 114.6 | L23 I29 F30 Q31 E37 | L23-Q27 VanDerWaalsContact O-CG 3.29Å; L23-Q27 WeakPolarHBondContact O-CG 3.28Å; L23-Q27 PolarHBondContact O-N 3.36Å; L23-Q27 VanDerWaalsContact O-N 3.1Å; Q27-I29 PolarHBondContact O-N 3.31Å; Q27-F30 PolarHBondContact O-N 2.71Å; Q27-Q31 WeakPolarHBondContact O-CG 3.41Å; Q27-Q31 PolarHBondContact O-N 2.93Å; Q27-Q31 VanDerWaalsContact O-N 3.11Å; Q27-E37 WeakPolarHBondContact CG-OE1 3.39Å; Q27-E37 PolarHBondContact NE2-OE1 2.59Å; Q27-E37 PolarHBondContact NE2-OE2 2.9Å; Q27-E37 VanDerWaalsContact NE2-OE2 3.13Å |
| 28 | S | 93.9 | Very high | 93.6 | Very high | 43 Ų | 43 | 50.8 Ų | 50.8 | 30% | 0.301 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -61.2 | -32.9 | -175.4 | 61 | 0 | 0 | 0 | 0 | 112.6 | L26 F30 Q31 E32 | L26-S28 VanDerWaalsContact C-N 3.3Å; L26-S28 PolarHBondContact O-N 3.04Å; S28-F30 VanDerWaalsContact C-N 3.32Å; S28-F30 PolarHBondContact O-N 3.02Å; S28-Q31 PolarHBondContact O-N 3.18Å; S28-E32 WeakPolarHBondContact O-CB 3.17Å; S28-E32 WeakPolarHBondContact O-CG 3.35Å; S28-E32 PolarHBondContact O-N 3.24Å |
| 29 | I | 96.9 | Very high | 94.3 | Very high | 10 Ų | 10 | 49.4 Ų | 49.4 | 5% | 0.051 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -59.5 | -45.4 | -179 | -61.3 | 170.6 | 0 | 0 | 0 | 110.5 | L26 Q27 Q33 I89 K92 V93 R96 | L26-I29 HydrophobicContact CD2-CD1 4.04Å; L26-I29 WeakPolarHBondContact O-CB 3.4Å; L26-I29 PolarHBondContact O-N 2.94Å; L26-I29 VanDerWaalsContact O-N 3.14Å; Q27-I29 PolarHBondContact O-N 3.31Å; I29-Q33 WeakPolarHBondContact O-CG 3.45Å; I29-I89 HydrophobicContact CG2-CG2 4.1Å; I29-K92 HydrophobicContact CD1-CB 4.12Å; I29-K92 HydrophobicContact CG1-CB 4.33Å; I29-K92 HydrophobicContact CG2-CB 3.92Å; I29-K92 HydrophobicContact CG2-CD 4.16Å; I29-V93 HydrophobicContact CD1-CB 4.4Å; I29-V93 HydrophobicContact CD1-CG2 3.77Å; I29-V93 HydrophobicContact CG2-CG2 4.3Å; I29-R96 HydrophobicContact CD1-CB 3.8Å; I29-R96 HydrophobicContact CD1-CG 4.04Å |
| 30 | F | 96.5 | Very high | 94.8 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -78.2 | -37.8 | -178.8 | -57.1 | -79.9 | 0 | 0 | 0 | 112.1 | L26 Q27 S28 E32 Q33 G34 M35 Y51 A59 L71 I89 V93 | L26-F30 HydrophobicContact CB-CE2 4.47Å; L26-F30 WeakPolarHBondContact O-CD2 3.47Å; Q27-F30 PolarHBondContact O-N 2.71Å; S28-F30 VanDerWaalsContact C-N 3.32Å; S28-F30 PolarHBondContact O-N 3.02Å; F30-E32 PolarHBondContact O-N 3.36Å; F30-Q33 PolarHBondContact O-N 2.77Å; F30-Q33 VanDerWaalsContact O-N 3.15Å; F30-G34 PolarHBondContact O-N 2.89Å; F30-M35 HydrophobicContact CB-CB 4.44Å; F30-M35 HydrophobicContact CB-SD 4.26Å; F30-M35 HydrophobicContact CD1-SD 3.88Å; F30-M35 WeakPolarHBondContact O-CB 3.38Å; F30-M35 PolarHBondContact O-N 3.11Å; F30-Y51 HydrophobicContact CB-CD1 3.43Å; F30-Y51 VanDerWaalsContact CB-CD1 3.43Å; F30-Y51 HydrophobicContact CB-CD2 4.36Å; F30-Y51 HydrophobicContact CB-CE1 3.73Å; F30-Y51 HydrophobicContact CB-CG 3.79Å; F30-Y51 HydrophobicContact CD1-CD1 4.43Å; F30-Y51 AromaticContact CD1-CD2 3.88Å; F30-Y51 HydrophobicContact CD1-CD2 3.88Å; F30-Y51 HydrophobicContact CD1-CE2 4.39Å; F30-Y51 AromaticContact CD1-CG 3.91Å; F30-Y51 HydrophobicContact CD1-CG 3.91Å; F30-Y51 HydrophobicContact CD2-CD1 4.2Å; F30-Y51 AromaticContact CD2-CD2 3.93Å; F30-Y51 HydrophobicContact CD2-CD2 3.93Å; F30-Y51 AromaticContact CD2-CE1 3.89Å; F30-Y51 HydrophobicContact CD2-CE1 3.89Å; F30-Y51 AromaticContact CD2-CE2 3.59Å; F30-Y51 HydrophobicContact CD2-CE2 3.59Å; F30-Y51 HydrophobicContact CD2-CG 4.23Å; F30-Y51 AromaticContact CD2-CZ 3.6Å; F30-Y51 HydrophobicContact CE1-CD2 4.11Å; F30-Y51 HydrophobicContact CE2-CD2 4.16Å; F30-Y51 AromaticContact CE2-CE2 3.74Å; F30-Y51 HydrophobicContact CE2-CE2 3.74Å; F30-Y51 AromaticContact CG-CD1 3.79Å; F30-Y51 HydrophobicContact CG-CD1 3.79Å; F30-Y51 AromaticContact CG-CD2 3.79Å; F30-Y51 HydrophobicContact CG-CD2 3.79Å; F30-Y51 AromaticContact CG-CE1 3.95Å; F30-Y51 HydrophobicContact CG-CE1 3.95Å; F30-Y51 AromaticContact CG-CE2 3.95Å; F30-Y51 HydrophobicContact CG-CE2 3.95Å; F30-Y51 AromaticContact CG-CG 3.71Å; F30-Y51 HydrophobicContact CG-CG 3.71Å; F30-Y51 HydrophobicContact CZ-CD2 4.25Å; F30-Y51 HydrophobicContact CZ-CE2 4.2Å; F30-A59 HydrophobicContact CD1-CB 4.41Å; F30-A59 HydrophobicContact CE1-CB 3.92Å; F30-L71 HydrophobicContact CE1-CD1 4.28Å; F30-L71 HydrophobicContact CZ-CD1 3.84Å; F30-L71 HydrophobicContact CZ-CD2 4.24Å; F30-I89 HydrophobicContact CD1-CG2 4.17Å; F30-I89 HydrophobicContact CE1-CG2 3.66Å; F30-I89 HydrophobicContact CZ-CG2 4.28Å; F30-V93 HydrophobicContact CZ-CG2 4.19Å |
| 31 | Q | 93.3 | Very high | 95.2 | Very high | 103 Ų | 103 | 53.4 Ų | 53.4 | 48% | 0.481 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -65.4 | -37.4 | 178.4 | -70.2 | 175.7 | -0.1 | 0 | 0 | 112.2 | Q27 S28 Q33 G34 | Q27-Q31 WeakPolarHBondContact O-CG 3.41Å; Q27-Q31 PolarHBondContact O-N 2.93Å; Q27-Q31 VanDerWaalsContact O-N 3.11Å; S28-Q31 PolarHBondContact O-N 3.18Å; Q31-Q33 PolarHBondContact O-N 2.9Å; Q31-G34 WeakPolarHBondContact O-CA 3.31Å; Q31-G34 PolarHBondContact O-N 3.28Å |
| 32 | E | 93.3 | Very high | 95.4 | Very high | 135 Ų | 135 | 54.9 Ų | 54.9 | 63% | 0.631 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -64.5 | -24.7 | 174.5 | -75.7 | 170.9 | -161 | 0 | 0 | 112.9 | S28 F30 | S28-E32 WeakPolarHBondContact O-CB 3.17Å; S28-E32 WeakPolarHBondContact O-CG 3.35Å; S28-E32 PolarHBondContact O-N 3.24Å; F30-E32 PolarHBondContact O-N 3.36Å |
| 33 | Q | 91.9 | Very high | 95.3 | Very high | 59 Ų | 59 | 63.5 Ų | 63.5 | 28% | 0.276 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | 1.1 | 171 | -56 | -46.3 | -66.8 | 0 | 0 | 112.7 | I29 F30 Q31 M35 I89 | I29-Q33 WeakPolarHBondContact O-CG 3.45Å; F30-Q33 PolarHBondContact O-N 2.77Å; F30-Q33 VanDerWaalsContact O-N 3.15Å; Q31-Q33 PolarHBondContact O-N 2.9Å; Q33-M35 VanDerWaalsContact C-N 3.31Å; Q33-M35 HydrophobicContact CB-CG 4.14Å; Q33-M35 PolarHBondContact O-N 3.01Å; Q33-I89 HydrophobicContact CG-CD1 4.06Å; Q33-I89 HydrophobicContact CG-CG1 4Å |
| 34 | G | 93.7 | Very high | 95.1 | Very high | 60 Ų | 60 | 68.7 Ų | 68.7 | 62% | 0.619 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72 | 22.2 | -178 | 0 | 0 | 0 | 0 | 0 | 113.9 | F30 Q31 | F30-G34 PolarHBondContact O-N 2.89Å; Q31-G34 WeakPolarHBondContact O-CA 3.31Å; Q31-G34 PolarHBondContact O-N 3.28Å |
| 35 | M | 96.1 | Very high | 95.1 | Very high | 11 Ų | 11 | 68.2 Ų | 68.2 | 5% | 0.054 | 37% | 0.369 | C | S | . | . | P | Polyproline II helix | trans | -78 | 138.3 | 177.1 | -58.8 | -179.1 | 80.4 | 0 | 0 | 111.2 | F30 Q33 Y51 T52 N53 A59 I89 | F30-M35 HydrophobicContact CB-CB 4.44Å; F30-M35 HydrophobicContact CB-SD 4.26Å; F30-M35 HydrophobicContact CD1-SD 3.88Å; F30-M35 WeakPolarHBondContact O-CB 3.38Å; F30-M35 PolarHBondContact O-N 3.11Å; Q33-M35 VanDerWaalsContact C-N 3.31Å; Q33-M35 HydrophobicContact CB-CG 4.14Å; Q33-M35 PolarHBondContact O-N 3.01Å; M35-Y51 WeakPolarHBondContact CE-O 3.45Å; M35-T52 CarbonylContact C-O 3.31Å; M35-T52 WeakPolarHBondContact CA-O 3.37Å; M35-N53 HydrophobicContact CE-CB 4.08Å; M35-N53 HydrophobicContact CG-CB 4.05Å; M35-A59 HydrophobicContact CE-CB 4.28Å; M35-I89 HydrophobicContact SD-CD1 4.41Å |
| 36 | A | 97.3 | Very high | 95.2 | Very high | 60 Ų | 60 | 68.4 Ų | 68.4 | 50% | 0.496 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 129.2 | 174 | 0 | 0 | 0 | 0 | 0 | 110.4 | Y51 T52 | A36-Y51 CarbonylContact O-C 3.53Å; A36-Y51 VanDerWaalsContact O-CA 3.31Å; A36-Y51 WeakPolarHBondContact O-CA 3.45Å; A36-T52 PolarHBondContact N-O 3.5Å; A36-T52 PolarHBondContact O-N 3.16Å |
| 37 | E | 98.1 | Very high | 95.2 | Very high | 64 Ų | 64 | 71.2 Ų | 71.2 | 30% | 0.299 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 139 | -177.4 | -179.9 | 179.6 | -129.3 | 0 | 0 | 112.2 | Q27 V39 T50 Y51 | Q27-E37 WeakPolarHBondContact CG-OE1 3.39Å; Q27-E37 PolarHBondContact NE2-OE1 2.59Å; Q27-E37 PolarHBondContact NE2-OE2 2.9Å; Q27-E37 VanDerWaalsContact NE2-OE2 3.13Å; E37-V39 HydrophobicContact CG-CG2 3.82Å; E37-T50 CarbonylContact C-O 3.56Å; E37-T50 WeakPolarHBondContact CA-O 3.16Å; E37-Y51 HydrophobicContact CB-CD1 3.82Å; E37-Y51 HydrophobicContact CB-CE1 3.68Å; E37-Y51 HydrophobicContact CG-CD1 4.01Å; E37-Y51 HydrophobicContact CG-CE1 3.46Å; E37-Y51 VanDerWaalsContact CG-CE1 3.46Å; E37-Y51 VanDerWaalsContact OE1-CE1 3.25Å; E37-Y51 WeakPolarHBondContact OE1-CE1 3.45Å; E37-Y51 PolarHBondContact OE1-OH 3.05Å |
| 38 | S | 98.1 | Very high | 95.4 | Very high | 81 Ų | 81 | 71.5 Ų | 71.5 | 57% | 0.566 | 39% | 0.385 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 125.9 | 164.6 | 176.9 | 0 | 0 | 0 | 0 | 109.4 | A49 T50 | S38-A49 WeakPolarHBondContact O-CA 3.19Å; S38-T50 PolarHBondContact N-O 2.82Å; S38-T50 PolarHBondContact O-N 2.87Å |
| 39 | V | 98.1 | Very high | 95.7 | Very high | 56 Ų | 56 | 69.4 Ų | 69.4 | 34% | 0.339 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 124.8 | -178.9 | -176.1 | 0 | 0 | 0 | 0 | 110.2 | L23 E37 T41 Y47 A49 | L23-V39 HydrophobicContact CD2-CG1 3.86Å; L23-V39 HydrophobicContact CD2-CG2 4.45Å; E37-V39 HydrophobicContact CG-CG2 3.82Å; V39-T41 HydrophobicContact CG1-CG2 4.03Å; V39-Y47 HydrophobicContact CG1-CD1 4.48Å; V39-A49 HydrophobicContact CG2-CB 4.14Å |
| 40 | H | 98 | Very high | 95.7 | Very high | 95 Ų | 95 | 70.9 Ų | 70.9 | 44% | 0.44 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 134.2 | 168.4 | -171 | 90.6 | 0 | 0 | 0 | 110.1 | W42 L48 | H40-W42 HydrophobicContact CB-CH2 4.39Å; H40-W42 HydrophobicContact CB-CZ3 4.45Å; H40-W42 AromaticContact CD2-CD2 3.5Å; H40-W42 VanDerWaalsContact CD2-CD2 3.5Å; H40-W42 AromaticContact CD2-CE2 3.33Å; H40-W42 AromaticContact CD2-CE3 3.51Å; H40-W42 AromaticContact CD2-CH2 3.2Å; H40-W42 WeakPolarHBondContact CD2-CH2 3.31Å; H40-W42 AromaticContact CD2-CZ2 3.19Å; H40-W42 WeakPolarHBondContact CD2-CZ2 3.35Å; H40-W42 AromaticContact CD2-CZ3 3.37Å; H40-W42 WeakPolarHBondContact CD2-CZ3 3.41Å; H40-W42 AromaticContact CG-CH2 3.98Å; H40-W42 AromaticContact NE2-CD2 3.7Å; H40-W42 AromaticContact NE2-CE2 3.27Å; H40-W42 VanDerWaalsContact NE2-CE2 3.27Å; H40-W42 AromaticContact NE2-CH2 3.94Å; H40-W42 AromaticContact NE2-CZ2 3.41Å; H40-W42 WeakPolarHBondContact NE2-CZ2 3.47Å; H40-W42 AromaticContact NE2-NE1 3.58Å; H40-L48 PolarHBondContact N-O 2.82Å; H40-L48 PolarHBondContact O-N 2.75Å |
| 41 | T | 97.3 | Very high | 95.8 | Very high | 86 Ų | 86 | 70.9 Ų | 70.9 | 53% | 0.528 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 143 | -178.4 | 66.7 | 0 | 0 | 0 | 0 | 110.9 | V39 Y47 | V39-T41 HydrophobicContact CG1-CG2 4.03Å; T41-Y47 HydrophobicContact CG2-CD1 3.62Å; T41-Y47 HydrophobicContact CG2-CE1 3.82Å |
| 42 | W | 96.3 | Very high | 96 | Very high | 104 Ų | 104 | 69.6 Ų | 69.6 | 39% | 0.394 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 140.1 | 170 | -71.4 | -91.1 | 0 | 0 | 0 | 109.3 | H40 D44 H45 G46 L48 | H40-W42 HydrophobicContact CB-CH2 4.39Å; H40-W42 HydrophobicContact CB-CZ3 4.45Å; H40-W42 AromaticContact CD2-CD2 3.5Å; H40-W42 VanDerWaalsContact CD2-CD2 3.5Å; H40-W42 AromaticContact CD2-CE2 3.33Å; H40-W42 AromaticContact CD2-CE3 3.51Å; H40-W42 AromaticContact CD2-CH2 3.2Å; H40-W42 WeakPolarHBondContact CD2-CH2 3.31Å; H40-W42 AromaticContact CD2-CZ2 3.19Å; H40-W42 WeakPolarHBondContact CD2-CZ2 3.35Å; H40-W42 AromaticContact CD2-CZ3 3.37Å; H40-W42 WeakPolarHBondContact CD2-CZ3 3.41Å; H40-W42 AromaticContact CG-CH2 3.98Å; H40-W42 AromaticContact NE2-CD2 3.7Å; H40-W42 AromaticContact NE2-CE2 3.27Å; H40-W42 VanDerWaalsContact NE2-CE2 3.27Å; H40-W42 AromaticContact NE2-CH2 3.94Å; H40-W42 AromaticContact NE2-CZ2 3.41Å; H40-W42 WeakPolarHBondContact NE2-CZ2 3.47Å; H40-W42 AromaticContact NE2-NE1 3.58Å; W42-D44 VanDerWaalsContact C-N 3.28Å; W42-D44 PolarHBondContact O-N 2.98Å; W42-H45 HydrophobicContact CB-CB 3.61Å; W42-H45 HydrophobicContact CG-CB 4.02Å; W42-G46 PolarHBondContact N-O 2.89Å; W42-G46 PolarHBondContact O-N 2.8Å; W42-L48 HydrophobicContact CH2-CB 3.98Å; W42-L48 HydrophobicContact CH2-CD2 4.19Å; W42-L48 HydrophobicContact CZ3-CB 3.61Å |
| 43 | Q | 89.7 | Confident | 96 | Very high | 187 Ų | 187 | 64 Ų | 64 | 87% | 0.874 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.1 | -47.9 | -179.5 | -173.9 | 172.8 | -1.5 | 0 | 0 | 112.6 | ||
| 44 | D | 91 | Very high | 96 | Very high | 119 Ų | 119 | 71.2 Ų | 71.2 | 64% | 0.636 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -119.6 | 5.7 | -175.8 | -58 | -48.6 | 0 | 0 | 0 | 114 | W42 | W42-D44 VanDerWaalsContact C-N 3.28Å; W42-D44 PolarHBondContact O-N 2.98Å |
| 45 | H | 94.2 | Very high | 95.7 | Very high | 113 Ų | 113 | 71.7 Ų | 71.7 | 52% | 0.523 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -119.7 | 8.7 | -175.7 | -52.1 | 86 | 0 | 0 | 0 | 113.6 | W42 R62 | W42-H45 HydrophobicContact CB-CB 3.61Å; W42-H45 HydrophobicContact CG-CB 4.02Å; H45-R62 VanDerWaalsContact O-CZ 3.25Å; H45-R62 PolarHBondContact O-NH1 2.88Å; H45-R62 PolarHBondContact O-NH2 3.31Å |
| 46 | G | 94.9 | Very high | 95.4 | Very high | 10 Ų | 10 | 74.2 Ų | 74.2 | 10% | 0.103 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 76.2 | -140.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | W42 | W42-G46 PolarHBondContact N-O 2.89Å; W42-G46 PolarHBondContact O-N 2.8Å |
| 47 | Y | 97.4 | Very high | 95.2 | Very high | 58 Ų | 58 | 71.7 Ų | 71.7 | 23% | 0.227 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 146.9 | -165.5 | -51.6 | -92.3 | 0 | 0 | 0 | 112.5 | L23 V39 T41 R62 I63 | L23-Y47 HydrophobicContact CD2-CD1 3.88Å; L23-Y47 HydrophobicContact CD2-CE1 4.46Å; L23-Y47 HydrophobicContact CD2-CG 4.23Å; V39-Y47 HydrophobicContact CG1-CD1 4.48Å; T41-Y47 HydrophobicContact CG2-CD1 3.62Å; T41-Y47 HydrophobicContact CG2-CE1 3.82Å; Y47-R62 PolarHBondContact O-NH1 2.85Å; Y47-I63 HydrophobicContact CD2-CB 4.34Å; Y47-I63 HydrophobicContact CD2-CG2 4.33Å; Y47-I63 PolarHBondContact N-O 3.41Å; Y47-I63 PolarHBondContact O-N 2.7Å |
| 48 | L | 98.4 | Very high | 95.2 | Very high | 47 Ų | 47 | 71.5 Ų | 71.5 | 25% | 0.246 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 113.5 | 161.8 | 172.8 | 63.2 | 0 | 0 | 0 | 107.8 | H40 W42 N60 L61 R62 | H40-L48 PolarHBondContact N-O 2.82Å; H40-L48 PolarHBondContact O-N 2.75Å; W42-L48 HydrophobicContact CH2-CB 3.98Å; W42-L48 HydrophobicContact CH2-CD2 4.19Å; W42-L48 HydrophobicContact CZ3-CB 3.61Å; L48-N60 HydrophobicContact CD1-CB 4.19Å; L48-L61 WeakPolarHBondContact CA-O 3.32Å; L48-R62 HydrophobicContact CD1-CB 4.47Å |
| 49 | A | 98.4 | Very high | 95.2 | Very high | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 128.7 | 170.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | L23 S38 V39 Y51 N60 L61 | L23-A49 HydrophobicContact CD1-CB 3.68Å; S38-A49 WeakPolarHBondContact O-CA 3.19Å; V39-A49 HydrophobicContact CG2-CB 4.14Å; A49-Y51 HydrophobicContact CB-CE2 3.75Å; A49-Y51 WeakPolarHBondContact CB-OH 3.02Å; A49-N60 WeakPolarHBondContact O-CA 3.18Å; A49-L61 HydrophobicContact CB-CB 4.32Å; A49-L61 PolarHBondContact N-O 3.38Å; A49-L61 PolarHBondContact O-N 3.49Å |
| 50 | T | 98.6 | Very high | 95.2 | Very high | 41 Ų | 41 | 67.2 Ų | 67.2 | 25% | 0.252 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 126.4 | 177.2 | -57.4 | 0 | 0 | 0 | 0 | 108.6 | E37 S38 T52 A59 N60 | E37-T50 CarbonylContact C-O 3.56Å; E37-T50 WeakPolarHBondContact CA-O 3.16Å; S38-T50 PolarHBondContact N-O 2.82Å; S38-T50 PolarHBondContact O-N 2.87Å; T50-T52 HydrophobicContact CG2-CG2 4.36Å; T50-A59 WeakPolarHBondContact CA-O 3.12Å; T50-N60 WeakPolarHBondContact CG2-OD1 3.25Å; T50-N60 PolarHBondContact OG1-OD1 2.79Å; T50-N60 VanDerWaalsContact OG1-OD1 3.1Å |
| 51 | Y | 98.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 125.3 | 178.2 | -56.7 | -82.6 | 0 | 0 | 0 | 108.8 | F30 M35 A36 E37 A49 F58 A59 L61 | F30-Y51 HydrophobicContact CB-CD1 3.43Å; F30-Y51 VanDerWaalsContact CB-CD1 3.43Å; F30-Y51 HydrophobicContact CB-CD2 4.36Å; F30-Y51 HydrophobicContact CB-CE1 3.73Å; F30-Y51 HydrophobicContact CB-CG 3.79Å; F30-Y51 HydrophobicContact CD1-CD1 4.43Å; F30-Y51 AromaticContact CD1-CD2 3.88Å; F30-Y51 HydrophobicContact CD1-CD2 3.88Å; F30-Y51 HydrophobicContact CD1-CE2 4.39Å; F30-Y51 AromaticContact CD1-CG 3.91Å; F30-Y51 HydrophobicContact CD1-CG 3.91Å; F30-Y51 HydrophobicContact CD2-CD1 4.2Å; F30-Y51 AromaticContact CD2-CD2 3.93Å; F30-Y51 HydrophobicContact CD2-CD2 3.93Å; F30-Y51 AromaticContact CD2-CE1 3.89Å; F30-Y51 HydrophobicContact CD2-CE1 3.89Å; F30-Y51 AromaticContact CD2-CE2 3.59Å; F30-Y51 HydrophobicContact CD2-CE2 3.59Å; F30-Y51 HydrophobicContact CD2-CG 4.23Å; F30-Y51 AromaticContact CD2-CZ 3.6Å; F30-Y51 HydrophobicContact CE1-CD2 4.11Å; F30-Y51 HydrophobicContact CE2-CD2 4.16Å; F30-Y51 AromaticContact CE2-CE2 3.74Å; F30-Y51 HydrophobicContact CE2-CE2 3.74Å; F30-Y51 AromaticContact CG-CD1 3.79Å; F30-Y51 HydrophobicContact CG-CD1 3.79Å; F30-Y51 AromaticContact CG-CD2 3.79Å; F30-Y51 HydrophobicContact CG-CD2 3.79Å; F30-Y51 AromaticContact CG-CE1 3.95Å; F30-Y51 HydrophobicContact CG-CE1 3.95Å; F30-Y51 AromaticContact CG-CE2 3.95Å; F30-Y51 HydrophobicContact CG-CE2 3.95Å; F30-Y51 AromaticContact CG-CG 3.71Å; F30-Y51 HydrophobicContact CG-CG 3.71Å; F30-Y51 HydrophobicContact CZ-CD2 4.25Å; F30-Y51 HydrophobicContact CZ-CE2 4.2Å; M35-Y51 WeakPolarHBondContact CE-O 3.45Å; A36-Y51 CarbonylContact O-C 3.53Å; A36-Y51 VanDerWaalsContact O-CA 3.31Å; A36-Y51 WeakPolarHBondContact O-CA 3.45Å; E37-Y51 HydrophobicContact CB-CD1 3.82Å; E37-Y51 HydrophobicContact CB-CE1 3.68Å; E37-Y51 HydrophobicContact CG-CD1 4.01Å; E37-Y51 HydrophobicContact CG-CE1 3.46Å; E37-Y51 VanDerWaalsContact CG-CE1 3.46Å; E37-Y51 VanDerWaalsContact OE1-CE1 3.25Å; E37-Y51 WeakPolarHBondContact OE1-CE1 3.45Å; E37-Y51 PolarHBondContact OE1-OH 3.05Å; A49-Y51 HydrophobicContact CB-CE2 3.75Å; A49-Y51 WeakPolarHBondContact CB-OH 3.02Å; Y51-F58 CarbonylContact O-C 3.58Å; Y51-F58 WeakPolarHBondContact O-CA 3.27Å; Y51-F58 WeakPolarHBondContact O-CB 3.44Å; Y51-A59 HydrophobicContact CD2-CB 4.37Å; Y51-A59 PolarHBondContact N-O 2.66Å; Y51-A59 PolarHBondContact O-N 3.33Å; Y51-L61 HydrophobicContact CE2-CB 4.04Å; Y51-L61 HydrophobicContact CE2-CD2 4.45Å |
| 52 | T | 96.8 | Very high | 95.3 | Very high | 75 Ų | 75 | 60.3 Ų | 60.3 | 46% | 0.46 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 136.2 | 179.2 | 54.3 | 0 | 0 | 0 | 0 | 110.6 | M35 A36 T50 F58 | M35-T52 CarbonylContact C-O 3.31Å; M35-T52 WeakPolarHBondContact CA-O 3.37Å; A36-T52 PolarHBondContact N-O 3.5Å; A36-T52 PolarHBondContact O-N 3.16Å; T50-T52 HydrophobicContact CG2-CG2 4.36Å; T52-F58 HydrophobicContact CG2-CB 4.29Å |
| 53 | N | 93.6 | Very high | 95.3 | Very high | 17 Ų | 17 | 55.4 Ų | 55.4 | 9% | 0.091 | 29% | 0.289 | C | S | . | . | trans | -109.3 | 150 | -180 | -164.2 | -21.6 | 0 | 0 | 0 | 110.1 | M35 N55 G56 S57 E85 | M35-N53 HydrophobicContact CE-CB 4.08Å; M35-N53 HydrophobicContact CG-CB 4.05Å; N53-N55 WeakPolarHBondContact CB-OD1 3.31Å; N53-N55 PolarHBondContact O-N 3.27Å; N53-N55 VanDerWaalsContact O-N 3.16Å; N53-G56 PolarHBondContact O-N 3.32Å; N53-S57 WeakPolarHBondContact CB-O 3.17Å; N53-S57 WeakPolarHBondContact CB-OG 3.4Å; N53-S57 PolarHBondContact N-O 3.26Å; N53-E85 PolarHBondContact ND2-OE1 3.37Å; N53-E85 VanDerWaalsContact ND2-OE1 3.15Å | ||
| 54 | K | 91.3 | Very high | 95.5 | Very high | 212 Ų | 212 | 50.1 Ų | 50.1 | 92% | 0.922 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -23 | 179.3 | 62.8 | -179 | 176.7 | -176 | 0 | 113.6 | G56 | K54-G56 PolarHBondContact O-N 3.34Š|
| 55 | N | 88.2 | Confident | 95.5 | Very high | 70 Ų | 70 | 47.5 Ų | 47.5 | 37% | 0.374 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | -0.1 | 177.2 | 66.3 | 8 | 0 | 0 | 0 | 113.3 | N53 S57 | N53-N55 WeakPolarHBondContact CB-OD1 3.31Å; N53-N55 PolarHBondContact O-N 3.27Å; N53-N55 VanDerWaalsContact O-N 3.16Å; N55-S57 WeakPolarHBondContact OD1-CB 3.37Å; N55-S57 PolarHBondContact OD1-N 3.38Å; N55-S57 PolarHBondContact OD1-OG 3.44Å |
| 56 | G | 90.1 | Very high | 95.2 | Very high | 63 Ų | 63 | 47.9 Ų | 47.9 | 65% | 0.649 | 25% | 0.253 | S | S | * | . | S | Bend | trans | 89 | -4.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | N53 K54 | N53-G56 PolarHBondContact O-N 3.32Å; K54-G56 PolarHBondContact O-N 3.34Å |
| 57 | S | 93.8 | Very high | 94.9 | Very high | 7 Ų | 7 | 47.6 Ų | 47.6 | 5% | 0.049 | 25% | 0.25 | C | C | . | . | trans | -72.9 | 155.3 | 168.6 | 67.1 | 0 | 0 | 0 | 0 | 111.5 | N53 N55 Q74 | N53-S57 WeakPolarHBondContact CB-O 3.17Å; N53-S57 WeakPolarHBondContact CB-OG 3.4Å; N53-S57 PolarHBondContact N-O 3.26Å; N55-S57 WeakPolarHBondContact OD1-CB 3.37Å; N55-S57 PolarHBondContact OD1-N 3.38Å; N55-S57 PolarHBondContact OD1-OG 3.44Å; S57-Q74 VanDerWaalsContact CA-O 3.23Å; S57-Q74 WeakPolarHBondContact CA-O 3.36Å; S57-Q74 WeakPolarHBondContact CB-O 3.25Å | ||
| 58 | F | 96.5 | Very high | 94.7 | Very high | 61 Ų | 61 | 46.6 Ų | 46.6 | 27% | 0.268 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 160.6 | 174.6 | 72.4 | -87.7 | 0 | 0 | 0 | 111.4 | Y51 T52 L73 Q74 | Y51-F58 CarbonylContact O-C 3.58Å; Y51-F58 WeakPolarHBondContact O-CA 3.27Å; Y51-F58 WeakPolarHBondContact O-CB 3.44Å; T52-F58 HydrophobicContact CG2-CB 4.29Å; F58-L73 WeakPolarHBondContact O-CA 3.45Å; F58-Q74 HydrophobicContact CD1-CB 4.09Å; F58-Q74 HydrophobicContact CE1-CB 3.58Å; F58-Q74 HydrophobicContact CE1-CG 4.06Å; F58-Q74 HydrophobicContact CE2-CB 4.41Å; F58-Q74 HydrophobicContact CZ-CB 3.75Å; F58-Q74 HydrophobicContact CZ-CG 4.44Å; F58-Q74 PolarHBondContact N-O 2.57Å; F58-Q74 PolarHBondContact O-N 2.95Å |
| 59 | A | 98.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 144.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | F30 M35 T50 Y51 L71 D72 L73 | F30-A59 HydrophobicContact CD1-CB 4.41Å; F30-A59 HydrophobicContact CE1-CB 3.92Å; M35-A59 HydrophobicContact CE-CB 4.28Å; T50-A59 WeakPolarHBondContact CA-O 3.12Å; Y51-A59 HydrophobicContact CD2-CB 4.37Å; Y51-A59 PolarHBondContact N-O 2.66Å; Y51-A59 PolarHBondContact O-N 3.33Å; A59-L71 HydrophobicContact CB-CD1 4.33Å; A59-D72 CarbonylContact C-O 3.58Å; A59-D72 WeakPolarHBondContact CA-O 3.38Å; A59-L73 HydrophobicContact CB-CB 4.46Å; A59-L73 HydrophobicContact CB-CD2 3.93Å; A59-L73 HydrophobicContact CB-CG 3.76Å |
| 60 | N | 98.6 | Very high | 94.5 | Very high | 46 Ų | 46 | 46.3 Ų | 46.3 | 25% | 0.246 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 121.3 | 169.5 | -74 | -36.2 | 0 | 0 | 0 | 109 | L48 A49 T50 L71 D72 | L48-N60 HydrophobicContact CD1-CB 4.19Å; A49-N60 WeakPolarHBondContact O-CA 3.18Å; T50-N60 WeakPolarHBondContact CG2-OD1 3.25Å; T50-N60 PolarHBondContact OG1-OD1 2.79Å; T50-N60 VanDerWaalsContact OG1-OD1 3.1Å; N60-L71 WeakPolarHBondContact O-CA 3.34Å; N60-D72 HydrophobicContact CB-CB 4.41Å; N60-D72 PolarHBondContact N-O 3.46Å; N60-D72 PolarHBondContact O-N 2.78Å |
| 61 | L | 98.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 109.2 | 172.1 | 176.4 | 64.5 | 0 | 0 | 0 | 108.6 | L23 L26 L48 A49 Y51 I63 V69 L71 | L23-L61 HydrophobicContact CD1-CD2 4.33Å; L26-L61 HydrophobicContact CB-CD2 4.23Å; L26-L61 HydrophobicContact CD1-CD1 4.06Å; L26-L61 HydrophobicContact CD1-CD2 3.9Å; L48-L61 WeakPolarHBondContact CA-O 3.32Å; A49-L61 HydrophobicContact CB-CB 4.32Å; A49-L61 PolarHBondContact N-O 3.38Å; A49-L61 PolarHBondContact O-N 3.49Å; Y51-L61 HydrophobicContact CE2-CB 4.04Å; Y51-L61 HydrophobicContact CE2-CD2 4.45Å; L61-I63 HydrophobicContact CD1-CG1 4.39Å; L61-I63 HydrophobicContact CD2-CD1 4.1Å; L61-I63 HydrophobicContact CG-CD1 4.2Å; L61-I63 HydrophobicContact CG-CG1 4.1Å; L61-V69 HydrophobicContact CD1-CG1 3.59Å; L61-L71 HydrophobicContact CB-CD1 4.3Å; L61-L71 HydrophobicContact CD1-CB 4.37Å; L61-L71 HydrophobicContact CD1-CD1 4.47Å |
| 62 | R | 98.3 | Very high | 94.6 | Very high | 36 Ų | 36 | 46.6 Ų | 46.6 | 14% | 0.136 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 117 | 178.6 | -177.8 | 68.8 | -177 | 98.9 | 1.7 | 109.9 | H45 Y47 L48 Y64 V69 L70 | H45-R62 VanDerWaalsContact O-CZ 3.25Å; H45-R62 PolarHBondContact O-NH1 2.88Å; H45-R62 PolarHBondContact O-NH2 3.31Å; Y47-R62 PolarHBondContact O-NH1 2.85Å; L48-R62 HydrophobicContact CD1-CB 4.47Å; R62-Y64 HydrophobicContact CB-CE2 4.47Å; R62-Y64 HydrophobicContact CG-CD2 3.91Å; R62-Y64 HydrophobicContact CG-CE2 3.34Å; R62-Y64 VanDerWaalsContact NH2-CE1 3.31Å; R62-V69 CarbonylContact O-C 3.59Å; R62-V69 WeakPolarHBondContact O-CA 3.44Å; R62-L70 HydrophobicContact CB-CB 4.24Å; R62-L70 PolarHBondContact N-O 3.2Å; R62-L70 PolarHBondContact O-N 3.02Å |
| 63 | I | 96.2 | Very high | 94.6 | Very high | 2 Ų | 2 | 43 Ų | 43 | 1% | 0.01 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 110.5 | 179.9 | -57.7 | 165.5 | 0 | 0 | 0 | 108.8 | I22 L23 Y47 L61 V69 | I22-I63 HydrophobicContact CB-CD1 4.34Å; I22-I63 HydrophobicContact CG2-CD1 3.94Å; I22-I63 HydrophobicContact CG2-CG1 4.36Å; L23-I63 HydrophobicContact CB-CD1 3.72Å; L23-I63 HydrophobicContact CD1-CD1 4.24Å; Y47-I63 HydrophobicContact CD2-CB 4.34Å; Y47-I63 HydrophobicContact CD2-CG2 4.33Å; Y47-I63 PolarHBondContact N-O 3.41Å; Y47-I63 PolarHBondContact O-N 2.7Å; L61-I63 HydrophobicContact CD1-CG1 4.39Å; L61-I63 HydrophobicContact CD2-CD1 4.1Å; L61-I63 HydrophobicContact CG-CD1 4.2Å; L61-I63 HydrophobicContact CG-CG1 4.1Å; I63-V69 HydrophobicContact CG1-CG1 4.08Å; I63-V69 HydrophobicContact CG1-CG2 4.44Å; I63-V69 HydrophobicContact CG2-CG2 4.31Å |
| 64 | Y | 94.5 | Very high | 94.7 | Very high | 76 Ų | 76 | 44.2 Ų | 44.2 | 30% | 0.298 | 23% | 0.23 | S | C | . | . | trans | -86.4 | 149.4 | 176 | -71.8 | -89.7 | 0 | 0 | 0 | 111.6 | R62 H66 L68 L70 | R62-Y64 HydrophobicContact CB-CE2 4.47Å; R62-Y64 HydrophobicContact CG-CD2 3.91Å; R62-Y64 HydrophobicContact CG-CE2 3.34Å; R62-Y64 VanDerWaalsContact NH2-CE1 3.31Å; Y64-H66 AromaticContact CD1-CE1 3.68Å; Y64-H66 AromaticContact CG-CE1 3.94Å; Y64-H66 PolarHBondContact O-N 2.99Å; Y64-H66 VanDerWaalsContact O-N 3.08Å; Y64-L68 WeakPolarHBondContact CB-O 3.34Å; Y64-L68 HydrophobicContact CD2-CB 4.1Å; Y64-L68 HydrophobicContact CD2-CD2 3.89Å; Y64-L68 HydrophobicContact CD2-CG 3.98Å; Y64-L68 HydrophobicContact CE2-CD2 4.13Å; Y64-L68 HydrophobicContact CG-CB 4.4Å; Y64-L68 PolarHBondContact N-O 3.13Å; Y64-L70 HydrophobicContact CE2-CD1 3.93Å; Y64-L70 HydrophobicContact CE2-CG 4.38Å | ||
| 65 | P | 90.1 | Very high | 94.7 | Very high | 64 Ų | 64 | 34.5 Ų | 34.5 | 42% | 0.416 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70 | -7.2 | -176.8 | 29.9 | -37.2 | 0 | 0 | 0 | 114.2 | ||
| 66 | H | 88.2 | Confident | 94.4 | Very high | 121 Ų | 121 | 36.9 Ų | 36.9 | 56% | 0.56 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -112.9 | 29.2 | -175.1 | 52.7 | -100.3 | 0 | 0 | 0 | 112.9 | Y64 | Y64-H66 AromaticContact CD1-CE1 3.68Å; Y64-H66 AromaticContact CG-CE1 3.94Å; Y64-H66 PolarHBondContact O-N 2.99Å; Y64-H66 VanDerWaalsContact O-N 3.08Å |
| 67 | G | 88.8 | Confident | 93.4 | Very high | 4 Ų | 4 | 36.8 Ų | 36.8 | 4% | 0.041 | 18% | 0.177 | C | C | . | . | S | Bend | trans | 85.5 | 7.5 | 170.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | L13 | L13-G67 WeakPolarHBondContact CB-O 3.34Å; L13-G67 WeakPolarHBondContact CG-O 3.43Å; L13-G67 PolarHBondContact N-O 3.18Å |
| 68 | L | 93.6 | Very high | 92.1 | Very high | 37 Ų | 37 | 39.7 Ų | 39.7 | 19% | 0.194 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 124.8 | 172.5 | -179.8 | 63.6 | 0 | 0 | 0 | 110.5 | F11 M12 Y64 L70 | F11-L68 WeakPolarHBondContact O-CA 3.45Å; M12-L68 HydrophobicContact CE-CD1 3.9Å; Y64-L68 WeakPolarHBondContact CB-O 3.34Å; Y64-L68 HydrophobicContact CD2-CB 4.1Å; Y64-L68 HydrophobicContact CD2-CD2 3.89Å; Y64-L68 HydrophobicContact CD2-CG 3.98Å; Y64-L68 HydrophobicContact CE2-CD2 4.13Å; Y64-L68 HydrophobicContact CG-CB 4.4Å; Y64-L68 PolarHBondContact N-O 3.13Å; L68-L70 HydrophobicContact CD1-CD2 3.65Å; L68-L70 HydrophobicContact CD1-CG 4.4Å; L68-L70 HydrophobicContact CD2-CD1 4.41Å; L68-L70 HydrophobicContact CD2-CD2 4.21Å; L68-L70 HydrophobicContact CD2-CG 4.36Å; L68-L70 HydrophobicContact CG-CD2 3.91Å; L68-L70 HydrophobicContact CG-CG 4.13Å |
| 69 | V | 95.6 | Very high | 90.9 | Very high | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.006 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 125.2 | 172 | -176.5 | 0 | 0 | 0 | 0 | 108.4 | D10 F11 L13 I22 L61 R62 I63 M97 | D10-V69 WeakPolarHBondContact CA-O 3.33Å; F11-V69 HydrophobicContact CB-CB 4.21Å; F11-V69 HydrophobicContact CD2-CB 4.38Å; F11-V69 HydrophobicContact CD2-CG1 4.49Å; F11-V69 PolarHBondContact N-O 3.1Å; F11-V69 PolarHBondContact O-N 3.1Å; L13-V69 HydrophobicContact CD1-CG2 4.16Å; I22-V69 HydrophobicContact CD1-CG2 3.99Å; I22-V69 HydrophobicContact CG2-CG2 4.31Å; L61-V69 HydrophobicContact CD1-CG1 3.59Å; R62-V69 CarbonylContact O-C 3.59Å; R62-V69 WeakPolarHBondContact O-CA 3.44Å; I63-V69 HydrophobicContact CG1-CG1 4.08Å; I63-V69 HydrophobicContact CG1-CG2 4.44Å; I63-V69 HydrophobicContact CG2-CG2 4.31Å; V69-M97 HydrophobicContact CB-CE 4.47Å; V69-M97 HydrophobicContact CG2-CE 4.23Å |
| 70 | L | 98.1 | Very high | 89.8 | Confident | 39 Ų | 39 | 43.1 Ų | 43.1 | 20% | 0.204 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 134.8 | 177.6 | -50.5 | 177.3 | 0 | 0 | 0 | 108.9 | D10 R62 Y64 L68 | D10-L70 HydrophobicContact CB-CD2 3.87Å; D10-L70 WeakPolarHBondContact OD1-CD2 3.35Å; R62-L70 HydrophobicContact CB-CB 4.24Å; R62-L70 PolarHBondContact N-O 3.2Å; R62-L70 PolarHBondContact O-N 3.02Å; Y64-L70 HydrophobicContact CE2-CD1 3.93Å; Y64-L70 HydrophobicContact CE2-CG 4.38Å; L68-L70 HydrophobicContact CD1-CD2 3.65Å; L68-L70 HydrophobicContact CD1-CG 4.4Å; L68-L70 HydrophobicContact CD2-CD1 4.41Å; L68-L70 HydrophobicContact CD2-CD2 4.21Å; L68-L70 HydrophobicContact CD2-CG 4.36Å; L68-L70 HydrophobicContact CG-CD2 3.91Å; L68-L70 HydrophobicContact CG-CG 4.13Å |
| 71 | L | 98.5 | Very high | 88.9 | Confident | 1 Ų | 1 | 48.1 Ų | 48.1 | 1% | 0.005 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 120.7 | 174 | 175.5 | 61.3 | 0 | 0 | 0 | 109.3 | T8 L9 F30 A59 N60 L61 L73 L90 V93 | T8-L71 CarbonylContact C-O 3.57Å; T8-L71 WeakPolarHBondContact CA-O 3.37Å; L9-L71 HydrophobicContact CB-CB 4.37Å; L9-L71 HydrophobicContact CD2-CD2 4.44Å; L9-L71 PolarHBondContact N-O 3.35Å; L9-L71 PolarHBondContact O-N 2.9Å; F30-L71 HydrophobicContact CE1-CD1 4.28Å; F30-L71 HydrophobicContact CZ-CD1 3.84Å; F30-L71 HydrophobicContact CZ-CD2 4.24Å; A59-L71 HydrophobicContact CB-CD1 4.33Å; N60-L71 WeakPolarHBondContact O-CA 3.34Å; L61-L71 HydrophobicContact CB-CD1 4.3Å; L61-L71 HydrophobicContact CD1-CB 4.37Å; L61-L71 HydrophobicContact CD1-CD1 4.47Å; L71-L73 HydrophobicContact CD1-CD1 4.08Å; L71-L73 HydrophobicContact CD1-CG 4.37Å; L71-L73 HydrophobicContact CD2-CD1 3.88Å; L71-L73 HydrophobicContact CG-CD1 3.63Å; L71-L73 HydrophobicContact CG-CG 4.44Å; L71-L90 HydrophobicContact CD2-CD2 4.04Å; L71-V93 HydrophobicContact CD2-CB 4.1Å; L71-V93 HydrophobicContact CD2-CG1 3.88Å; L71-V93 HydrophobicContact CD2-CG2 3.82Å |
| 72 | D | 98.6 | Very high | 88 | Confident | 46 Ų | 46 | 48.3 Ų | 48.3 | 25% | 0.246 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 133.5 | 172.5 | -64.8 | -92.5 | 0 | 0 | 0 | 109 | H6 S7 A59 N60 | H6-D72 IonicContact CD2-OD1 3.7Å; H6-D72 IonicContact CE1-OD1 3.88Å; H6-D72 IonicContact NE2-OD1 2.79Å; H6-D72 PolarHBondContact NE2-OD1 3.44Å; S7-D72 WeakPolarHBondContact O-CA 3.49Å; A59-D72 CarbonylContact C-O 3.58Å; A59-D72 WeakPolarHBondContact CA-O 3.38Å; N60-D72 HydrophobicContact CB-CB 4.41Å; N60-D72 PolarHBondContact N-O 3.46Å; N60-D72 PolarHBondContact O-N 2.78Å |
| 73 | L | 97.5 | Very high | 87.3 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 134.5 | 168.8 | -56.6 | 95.4 | 0 | 0 | 0 | 110 | H6 S7 F58 A59 L71 I86 I89 L90 | H6-L73 CarbonylContact C-O 3.52Å; H6-L73 WeakPolarHBondContact CA-O 3.3Å; S7-L73 PolarHBondContact N-O 3.5Å; S7-L73 PolarHBondContact O-N 2.93Å; F58-L73 WeakPolarHBondContact O-CA 3.45Å; A59-L73 HydrophobicContact CB-CB 4.46Å; A59-L73 HydrophobicContact CB-CD2 3.93Å; A59-L73 HydrophobicContact CB-CG 3.76Å; L71-L73 HydrophobicContact CD1-CD1 4.08Å; L71-L73 HydrophobicContact CD1-CG 4.37Å; L71-L73 HydrophobicContact CD2-CD1 3.88Å; L71-L73 HydrophobicContact CG-CD1 3.63Å; L71-L73 HydrophobicContact CG-CG 4.44Å; L73-I86 HydrophobicContact CB-CD1 4Å; L73-I86 HydrophobicContact CB-CG2 3.91Å; L73-I86 HydrophobicContact CD2-CD1 3.79Å; L73-I86 HydrophobicContact CD2-CG2 4.27Å; L73-I86 HydrophobicContact CG-CG2 4.49Å; L73-I89 HydrophobicContact CD2-CB 4.15Å; L73-I89 HydrophobicContact CD2-CD1 4.18Å; L73-I89 HydrophobicContact CD2-CG2 3.75Å; L73-L90 HydrophobicContact CD1-CD1 4.33Å; L73-L90 HydrophobicContact CD1-CD2 3.34Å; L73-L90 HydrophobicContact CD1-CG 3.76Å |
| 74 | Q | 95.3 | Very high | 86.9 | Confident | 43 Ų | 43 | 58.1 Ų | 58.1 | 20% | 0.201 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 129.6 | 175 | -170.6 | 168.9 | 99.7 | 0 | 0 | 110 | A4 R5 H6 S57 F58 | A4-Q74 HydrophobicContact CB-CG 3.95Å; R5-Q74 WeakPolarHBondContact O-CA 3.2Å; H6-Q74 PolarHBondContact ND1-NE2 2.83Å; S57-Q74 VanDerWaalsContact CA-O 3.23Å; S57-Q74 WeakPolarHBondContact CA-O 3.36Å; S57-Q74 WeakPolarHBondContact CB-O 3.25Å; F58-Q74 HydrophobicContact CD1-CB 4.09Å; F58-Q74 HydrophobicContact CE1-CB 3.58Å; F58-Q74 HydrophobicContact CE1-CG 4.06Å; F58-Q74 HydrophobicContact CE2-CB 4.41Å; F58-Q74 HydrophobicContact CZ-CB 3.75Å; F58-Q74 HydrophobicContact CZ-CG 4.44Å; F58-Q74 PolarHBondContact N-O 2.57Å; F58-Q74 PolarHBondContact O-N 2.95Å |
| 75 | S | 91.5 | Very high | 86.6 | Confident | 7 Ų | 7 | 56.6 Ų | 56.6 | 5% | 0.049 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 159.9 | 178.2 | 56 | 0 | 0 | 0 | 0 | 110.5 | A4 R5 D77 | A4-S75 CarbonylContact C-O 3.5Å; A4-S75 VanDerWaalsContact CA-O 3.27Å; A4-S75 WeakPolarHBondContact CA-O 3.44Å; R5-S75 PolarHBondContact N-O 3.41Å; R5-S75 PolarHBondContact O-N 3.04Å; S75-D77 PolarHBondContact O-N 3.48Å |
| 76 | Y | 82.3 | Confident | 86.6 | Confident | 121 Ų | 121 | 53.7 Ų | 53.7 | 48% | 0.475 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 119.5 | 171.3 | -168.7 | -97.6 | 0 | 0 | 0 | 109.4 | M1 A2 G78 D79 | M1-Y76 PolarHBondContact O-OH 3.48Å; A2-Y76 WeakPolarHBondContact CA-OH 3.41Å; A2-Y76 HydrophobicContact CB-CE2 3.63Å; Y76-G78 VanDerWaalsContact C-N 3.26Å; Y76-G78 PolarHBondContact O-N 3.2Å; Y76-D79 PolarHBondContact O-N 3.19Å |
| 77 | D | 68.5 | Low | 86.9 | Confident | 60 Ų | 60 | 50 Ų | 50 | 32% | 0.321 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -25.7 | -169.2 | -171 | 52.6 | 0 | 0 | 0 | 113.1 | A3 R5 S75 D79 | A3-D77 HydrophobicContact CB-CB 3.83Å; A3-D77 WeakPolarHBondContact O-CB 3.35Å; A3-D77 PolarHBondContact O-N 3.02Å; R5-D77 HydrophobicContact CB-CB 4.27Å; S75-D77 PolarHBondContact O-N 3.48Å; D77-D79 PolarHBondContact O-N 2.88Å |
| 78 | G | 68 | Low | 87.1 | Confident | 68 Ų | 68 | 52.1 Ų | 52.1 | 70% | 0.701 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.8 | -2.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | Y76 | Y76-G78 VanDerWaalsContact C-N 3.26Å; Y76-G78 PolarHBondContact O-N 3.2Å |
| 79 | D | 70.6 | Confident | 87.3 | Confident | 59 Ų | 59 | 50.4 Ų | 50.4 | 32% | 0.316 | 28% | 0.275 | S | S | . | . | trans | -105 | 96.9 | -180 | -176.4 | 5.7 | 0 | 0 | 0 | 110.7 | Y76 D77 Q81 G82 K83 | Y76-D79 PolarHBondContact O-N 3.19Å; D77-D79 PolarHBondContact O-N 2.88Å; D79-Q81 PolarHBondContact O-N 2.8Å; D79-Q81 WeakPolarHBondContact OD1-CB 3.46Å; D79-Q81 PolarHBondContact OD1-N 2.84Å; D79-Q81 VanDerWaalsContact OD1-N 3.08Å; D79-G82 VanDerWaalsContact CG-N 3.25Å; D79-G82 PolarHBondContact O-N 2.82Å; D79-G82 VanDerWaalsContact O-N 3.13Å; D79-G82 PolarHBondContact OD1-N 3.29Å; D79-G82 VanDerWaalsContact OD1-N 3.14Å; D79-G82 PolarHBondContact OD2-N 2.86Å; D79-K83 PolarHBondContact O-N 3.09Å | ||
| 80 | A | 75.6 | Confident | 87.3 | Confident | 74 Ų | 74 | 50.3 Ų | 50.3 | 61% | 0.612 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -59.3 | -32.8 | 178 | 0 | 0 | 0 | 0 | 0 | 112.5 | K83 E84 | A80-K83 WeakPolarHBondContact O-CB 3.37Å; A80-K83 PolarHBondContact O-N 3.14Å; A80-E84 PolarHBondContact O-N 3.28Å |
| 81 | Q | 78 | Confident | 87.2 | Confident | 151 Ų | 151 | 52.2 Ų | 52.2 | 71% | 0.706 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -70.6 | -43.1 | 176.4 | -174.9 | 176.9 | -1.5 | 0 | 0 | 110.6 | D79 K83 E84 E85 | D79-Q81 PolarHBondContact O-N 2.8Å; D79-Q81 WeakPolarHBondContact OD1-CB 3.46Å; D79-Q81 PolarHBondContact OD1-N 2.84Å; D79-Q81 VanDerWaalsContact OD1-N 3.08Å; Q81-K83 VanDerWaalsContact C-N 3.26Å; Q81-K83 PolarHBondContact O-N 2.87Å; Q81-E84 PolarHBondContact O-N 3.07Å; Q81-E85 PolarHBondContact O-N 3.15Å |
| 82 | G | 79.5 | Confident | 87.2 | Confident | 4 Ų | 4 | 55.4 Ų | 55.4 | 4% | 0.041 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -59.2 | -36.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | D79 E85 I86 | D79-G82 VanDerWaalsContact CG-N 3.25Å; D79-G82 PolarHBondContact O-N 2.82Å; D79-G82 VanDerWaalsContact O-N 3.13Å; D79-G82 PolarHBondContact OD1-N 3.29Å; D79-G82 VanDerWaalsContact OD1-N 3.14Å; D79-G82 PolarHBondContact OD2-N 2.86Å; G82-E85 PolarHBondContact O-N 2.83Å; G82-I86 WeakPolarHBondContact O-CG1 3.47Å; G82-I86 PolarHBondContact O-N 2.84Å |
| 83 | K | 83.8 | Confident | 87 | Confident | 99 Ų | 99 | 53.2 Ų | 53.2 | 43% | 0.43 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -60.9 | -48.8 | 175.3 | -169.6 | -173.9 | 177.2 | 171.7 | 0 | 112.4 | R5 D79 A80 Q81 E85 I86 D87 | R5-K83 VanDerWaalsContact NH1-CG 3.27Å; D79-K83 PolarHBondContact O-N 3.09Å; A80-K83 WeakPolarHBondContact O-CB 3.37Å; A80-K83 PolarHBondContact O-N 3.14Å; Q81-K83 VanDerWaalsContact C-N 3.26Å; Q81-K83 PolarHBondContact O-N 2.87Å; K83-E85 VanDerWaalsContact C-N 3.32Å; K83-I86 PolarHBondContact O-N 2.81Å; K83-D87 PolarHBondContact O-N 2.84Å |
| 84 | E | 87.5 | Confident | 86.9 | Confident | 146 Ų | 146 | 55.3 Ų | 55.3 | 68% | 0.682 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -64.6 | -36.9 | 178 | -69.4 | -175.4 | 173.2 | 0 | 0 | 111.8 | A80 Q81 D87 S88 | A80-E84 PolarHBondContact O-N 3.28Å; Q81-E84 PolarHBondContact O-N 3.07Å; E84-D87 PolarHBondContact O-N 2.92Å; E84-S88 WeakPolarHBondContact O-CB 3.33Å; E84-S88 PolarHBondContact O-N 2.85Å |
| 85 | E | 88.7 | Confident | 86.8 | Confident | 44 Ų | 44 | 59.3 Ų | 59.3 | 21% | 0.206 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -61.2 | -48.7 | 175.4 | -170.3 | -179.2 | 170.9 | 0 | 0 | 111.3 | N53 Q81 G82 K83 D87 S88 I89 | N53-E85 PolarHBondContact ND2-OE1 3.37Å; N53-E85 VanDerWaalsContact ND2-OE1 3.15Å; Q81-E85 PolarHBondContact O-N 3.15Å; G82-E85 PolarHBondContact O-N 2.83Å; K83-E85 VanDerWaalsContact C-N 3.32Å; E85-D87 PolarHBondContact O-N 2.88Å; E85-S88 WeakPolarHBondContact O-CB 3.42Å; E85-S88 PolarHBondContact O-N 3.35Å; E85-I89 HydrophobicContact CG-CD1 4.39Å; E85-I89 WeakPolarHBondContact O-CG1 3.4Å; E85-I89 PolarHBondContact O-N 2.86Å |
| 86 | I | 91.3 | Very high | 86.8 | Confident | 3 Ų | 3 | 62.7 Ų | 62.7 | 2% | 0.015 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -60.5 | -44.6 | 176.1 | -65.5 | -49.7 | 0 | 0 | 0 | 111.4 | L73 G82 K83 S88 I89 L90 | L73-I86 HydrophobicContact CB-CD1 4Å; L73-I86 HydrophobicContact CB-CG2 3.91Å; L73-I86 HydrophobicContact CD2-CD1 3.79Å; L73-I86 HydrophobicContact CD2-CG2 4.27Å; L73-I86 HydrophobicContact CG-CG2 4.49Å; G82-I86 WeakPolarHBondContact O-CG1 3.47Å; G82-I86 PolarHBondContact O-N 2.84Å; K83-I86 PolarHBondContact O-N 2.81Å; I86-S88 VanDerWaalsContact C-N 3.28Å; I86-S88 PolarHBondContact O-N 2.73Å; I86-I89 HydrophobicContact CD1-CD1 4.42Å; I86-I89 PolarHBondContact O-N 2.88Å; I86-L90 HydrophobicContact CG2-CD1 4.01Å; I86-L90 WeakPolarHBondContact O-CG 3.39Å; I86-L90 PolarHBondContact O-N 2.79Å |
| 87 | D | 93.3 | Very high | 87.3 | Confident | 44 Ų | 44 | 57 Ų | 57 | 24% | 0.235 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -65 | -35.6 | -180 | -69.6 | -11.4 | 0 | 0 | 0 | 111.1 | R5 K83 E84 E85 N91 R110 | R5-D87 IonicContact CZ-OD1 2.66Å; R5-D87 IonicContact NH1-OD1 2.69Å; R5-D87 PolarHBondContact NH1-OD1 3.14Å; R5-D87 IonicContact NH1-OD2 3.88Å; R5-D87 IonicContact NH2-OD1 2.62Å; R5-D87 PolarHBondContact NH2-OD1 2.78Å; R5-D87 IonicContact NH2-OD2 3.02Å; R5-D87 PolarHBondContact NH2-OD2 2.79Å; K83-D87 PolarHBondContact O-N 2.84Å; E84-D87 PolarHBondContact O-N 2.92Å; E85-D87 PolarHBondContact O-N 2.88Å; D87-N91 PolarHBondContact O-N 3.29Å; D87-N91 VanDerWaalsContact O-N 3.09Å; D87-N91 PolarHBondContact O-ND2 3.42Å; D87-N91 PolarHBondContact O-OD1 2.86Å; D87-R110 IonicContact OD1-NH2 3.96Å |
| 88 | S | 94.6 | Very high | 88.2 | Confident | 47 Ų | 47 | 60 Ų | 60 | 33% | 0.329 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -64.6 | -45.8 | 173 | -170.8 | 0 | 0 | 0 | 0 | 112.6 | E84 E85 I86 L90 N91 K92 | E84-S88 WeakPolarHBondContact O-CB 3.33Å; E84-S88 PolarHBondContact O-N 2.85Å; E85-S88 WeakPolarHBondContact O-CB 3.42Å; E85-S88 PolarHBondContact O-N 3.35Å; I86-S88 VanDerWaalsContact C-N 3.28Å; I86-S88 PolarHBondContact O-N 2.73Å; S88-L90 VanDerWaalsContact C-N 3.35Å; S88-L90 PolarHBondContact O-N 3.27Å; S88-N91 PolarHBondContact O-N 2.86Å; S88-K92 WeakPolarHBondContact O-CG 3.11Å; S88-K92 PolarHBondContact O-N 3.08Å |
| 89 | I | 95.9 | Very high | 89.1 | Confident | 1 Ų | 1 | 62.8 Ų | 62.8 | 1% | 0.005 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -59.1 | -47.8 | 177.3 | -67.6 | 165.5 | 0 | 0 | 0 | 110.3 | I29 F30 Q33 M35 L73 E85 I86 N91 K92 V93 | I29-I89 HydrophobicContact CG2-CG2 4.1Å; F30-I89 HydrophobicContact CD1-CG2 4.17Å; F30-I89 HydrophobicContact CE1-CG2 3.66Å; F30-I89 HydrophobicContact CZ-CG2 4.28Å; Q33-I89 HydrophobicContact CG-CD1 4.06Å; Q33-I89 HydrophobicContact CG-CG1 4Å; M35-I89 HydrophobicContact SD-CD1 4.41Å; L73-I89 HydrophobicContact CD2-CB 4.15Å; L73-I89 HydrophobicContact CD2-CD1 4.18Å; L73-I89 HydrophobicContact CD2-CG2 3.75Å; E85-I89 HydrophobicContact CG-CD1 4.39Å; E85-I89 WeakPolarHBondContact O-CG1 3.4Å; E85-I89 PolarHBondContact O-N 2.86Å; I86-I89 HydrophobicContact CD1-CD1 4.42Å; I86-I89 PolarHBondContact O-N 2.88Å; I89-N91 VanDerWaalsContact C-N 3.35Å; I89-N91 PolarHBondContact O-N 3.21Å; I89-K92 PolarHBondContact O-N 3.4Å; I89-V93 HydrophobicContact CG2-CG2 4.36Å; I89-V93 WeakPolarHBondContact O-CG2 3.29Å; I89-V93 PolarHBondContact O-N 2.63Å |
| 90 | L | 96.8 | Very high | 89.9 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -58.2 | -45.8 | 178.1 | -73.1 | 168.1 | 0 | 0 | 0 | 111.9 | L9 L71 L73 I86 S88 K92 V93 E94 | L9-L90 HydrophobicContact CB-CD2 3.64Å; L9-L90 HydrophobicContact CD2-CD2 3.86Å; L9-L90 HydrophobicContact CG-CD2 4.41Å; L71-L90 HydrophobicContact CD2-CD2 4.04Å; L73-L90 HydrophobicContact CD1-CD1 4.33Å; L73-L90 HydrophobicContact CD1-CD2 3.34Å; L73-L90 HydrophobicContact CD1-CG 3.76Å; I86-L90 HydrophobicContact CG2-CD1 4.01Å; I86-L90 WeakPolarHBondContact O-CG 3.39Å; I86-L90 PolarHBondContact O-N 2.79Å; S88-L90 VanDerWaalsContact C-N 3.35Å; S88-L90 PolarHBondContact O-N 3.27Å; L90-K92 PolarHBondContact O-N 3.01Å; L90-V93 PolarHBondContact O-N 3.41Å; L90-E94 WeakPolarHBondContact O-CG 3.37Å; L90-E94 PolarHBondContact O-N 3.04Å |
| 91 | N | 96.5 | Very high | 89.9 | Confident | 78 Ų | 78 | 58.9 Ų | 58.9 | 42% | 0.417 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -60.8 | -44.9 | 177.9 | -66.4 | -13.1 | 0 | 0 | 0 | 111.8 | D87 S88 I89 V93 E94 E95 R110 | D87-N91 PolarHBondContact O-N 3.29Å; D87-N91 VanDerWaalsContact O-N 3.09Å; D87-N91 PolarHBondContact O-ND2 3.42Å; D87-N91 PolarHBondContact O-OD1 2.86Å; S88-N91 PolarHBondContact O-N 2.86Å; I89-N91 VanDerWaalsContact C-N 3.35Å; I89-N91 PolarHBondContact O-N 3.21Å; N91-V93 VanDerWaalsContact C-N 3.34Å; N91-V93 PolarHBondContact O-N 3.48Å; N91-E94 PolarHBondContact O-N 3Å; N91-E95 WeakPolarHBondContact O-CG 3.4Å; N91-E95 PolarHBondContact O-N 3.49Å; N91-R110 PolarHBondContact OD1-NH1 3.38Å |
| 92 | K | 96.9 | Very high | 89.4 | Confident | 69 Ų | 69 | 60 Ų | 60 | 30% | 0.3 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -62.4 | -40.1 | 176.4 | -70.6 | 176.6 | -178 | -176.1 | 0 | 112 | I29 S88 I89 L90 E95 R96 | I29-K92 HydrophobicContact CD1-CB 4.12Å; I29-K92 HydrophobicContact CG1-CB 4.33Å; I29-K92 HydrophobicContact CG2-CB 3.92Å; I29-K92 HydrophobicContact CG2-CD 4.16Å; S88-K92 WeakPolarHBondContact O-CG 3.11Å; S88-K92 PolarHBondContact O-N 3.08Å; I89-K92 PolarHBondContact O-N 3.4Å; L90-K92 PolarHBondContact O-N 3.01Å; K92-E95 PolarHBondContact O-N 3.41Å; K92-R96 WeakPolarHBondContact O-CB 3.46Å; K92-R96 PolarHBondContact O-N 3.16Å |
| 93 | V | 96.1 | Very high | 88.4 | Confident | 0 Ų | 0 | 67.4 Ų | 67.4 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -64.6 | -43.3 | 176.9 | 170.8 | 0 | 0 | 0 | 0 | 110.6 | L9 F11 L26 I29 F30 L71 I89 L90 N91 E95 R96 M97 | L9-V93 HydrophobicContact CD2-CB 4.3Å; L9-V93 HydrophobicContact CD2-CG1 3.99Å; F11-V93 HydrophobicContact CE2-CG1 3.87Å; F11-V93 HydrophobicContact CZ-CG1 3.98Å; L26-V93 HydrophobicContact CD1-CG1 4.32Å; L26-V93 HydrophobicContact CD2-CG1 4.1Å; I29-V93 HydrophobicContact CD1-CB 4.4Å; I29-V93 HydrophobicContact CD1-CG2 3.77Å; I29-V93 HydrophobicContact CG2-CG2 4.3Å; F30-V93 HydrophobicContact CZ-CG2 4.19Å; L71-V93 HydrophobicContact CD2-CB 4.1Å; L71-V93 HydrophobicContact CD2-CG1 3.88Å; L71-V93 HydrophobicContact CD2-CG2 3.82Å; I89-V93 HydrophobicContact CG2-CG2 4.36Å; I89-V93 WeakPolarHBondContact O-CG2 3.29Å; I89-V93 PolarHBondContact O-N 2.63Å; L90-V93 PolarHBondContact O-N 3.41Å; N91-V93 VanDerWaalsContact C-N 3.34Å; N91-V93 PolarHBondContact O-N 3.48Å; V93-E95 PolarHBondContact O-N 2.89Å; V93-R96 PolarHBondContact O-N 3.49Å; V93-M97 HydrophobicContact CG1-CG 4.14Å; V93-M97 VanDerWaalsContact O-CB 3.28Å; V93-M97 WeakPolarHBondContact O-CB 3.48Å; V93-M97 VanDerWaalsContact O-CG 3.22Å; V93-M97 WeakPolarHBondContact O-CG 3.3Å; V93-M97 PolarHBondContact O-N 3.13Å |
| 94 | E | 93.9 | Very high | 87.2 | Confident | 44 Ų | 44 | 65.1 Ų | 65.1 | 21% | 0.206 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -59.7 | -45.3 | 175.4 | -72.1 | -172.2 | -126.4 | 0 | 0 | 112.6 | L9 F11 L90 N91 K98 R110 | L9-E94 HydrophobicContact CD1-CG 3.8Å; L9-E94 HydrophobicContact CD2-CG 3.59Å; L9-E94 HydrophobicContact CG-CG 4.33Å; F11-E94 HydrophobicContact CZ-CG 4.2Å; L90-E94 WeakPolarHBondContact O-CG 3.37Å; L90-E94 PolarHBondContact O-N 3.04Å; N91-E94 PolarHBondContact O-N 3Å; E94-K98 WeakPolarHBondContact O-CG 3.45Å; E94-K98 PolarHBondContact O-N 3.24Å; E94-R110 WeakPolarHBondContact OE1-CD 3.37Å; E94-R110 IonicContact OE1-CZ 3.77Å; E94-R110 IonicContact OE1-NE 2.87Å; E94-R110 IonicContact OE1-NH1 2.7Å; E94-R110 PolarHBondContact OE1-NH1 3.42Å |
| 95 | E | 93.2 | Very high | 86 | Confident | 126 Ų | 126 | 60.1 Ų | 60.1 | 59% | 0.589 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -63.3 | -48.8 | 176.8 | -71.6 | 179 | 165 | 0 | 0 | 111.5 | N91 K92 V93 M97 K98 E99 | N91-E95 WeakPolarHBondContact O-CG 3.4Å; N91-E95 PolarHBondContact O-N 3.49Å; K92-E95 PolarHBondContact O-N 3.41Å; V93-E95 PolarHBondContact O-N 2.89Å; E95-M97 VanDerWaalsContact C-N 3.33Å; E95-M97 PolarHBondContact O-N 3.19Å; E95-K98 WeakPolarHBondContact O-CB 3.41Å; E95-K98 PolarHBondContact O-N 2.88Å; E95-K98 VanDerWaalsContact O-N 3.14Å; E95-E99 PolarHBondContact O-N 2.94Å |
| 96 | R | 92.9 | Very high | 85.4 | Confident | 78 Ų | 78 | 60.7 Ų | 60.7 | 29% | 0.294 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -63.2 | -38.1 | -179.6 | -174.1 | 58.8 | 161.2 | 140.4 | 3.2 | 112.7 | G25 L26 I29 K92 V93 K98 E99 L100 | G25-R96 PolarHBondContact O-NE 3.23Å; G25-R96 PolarHBondContact O-NH2 3.1Å; G25-R96 VanDerWaalsContact O-NH2 3.11Å; L26-R96 HydrophobicContact CD2-CB 3.98Å; L26-R96 HydrophobicContact CD2-CG 3.68Å; I29-R96 HydrophobicContact CD1-CB 3.8Å; I29-R96 HydrophobicContact CD1-CG 4.04Å; K92-R96 WeakPolarHBondContact O-CB 3.46Å; K92-R96 PolarHBondContact O-N 3.16Å; V93-R96 PolarHBondContact O-N 3.49Å; R96-K98 VanDerWaalsContact C-N 3.27Å; R96-K98 PolarHBondContact O-N 2.77Å; R96-E99 VanDerWaalsContact CD-OE2 3.27Å; R96-E99 WeakPolarHBondContact CD-OE2 3.5Å; R96-E99 IonicContact CZ-OE2 3.3Å; R96-E99 IonicContact NE-OE2 3.61Å; R96-E99 IonicContact NH1-OE2 2.82Å; R96-E99 PolarHBondContact NH1-OE2 3.2Å; R96-E99 WeakPolarHBondContact O-CB 3.23Å; R96-E99 PolarHBondContact O-N 3.21Å; R96-L100 HydrophobicContact CG-CD1 4.03Å; R96-L100 WeakPolarHBondContact O-CG 3.49Å; R96-L100 PolarHBondContact O-N 2.93Å |
| 97 | M | 91.3 | Very high | 85.3 | Confident | 2 Ų | 2 | 69.7 Ų | 69.7 | 1% | 0.01 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -65 | -30.5 | 177 | -78.8 | -63.7 | -73.7 | 0 | 0 | 112.7 | F11 L13 I22 L26 V69 V93 E95 L100 S101 | F11-M97 HydrophobicContact CB-CE 3.96Å; F11-M97 HydrophobicContact CD1-CB 3.9Å; F11-M97 HydrophobicContact CD1-CE 4Å; F11-M97 HydrophobicContact CD1-CG 4.07Å; F11-M97 HydrophobicContact CD2-CE 4.09Å; F11-M97 HydrophobicContact CD2-CG 4.25Å; F11-M97 HydrophobicContact CE1-CB 3.43Å; F11-M97 VanDerWaalsContact CE1-CB 3.43Å; F11-M97 HydrophobicContact CE1-CG 3.68Å; F11-M97 HydrophobicContact CE2-CG 3.85Å; F11-M97 HydrophobicContact CG-CE 3.76Å; F11-M97 HydrophobicContact CG-CG 4.36Å; F11-M97 HydrophobicContact CZ-CB 3.78Å; F11-M97 HydrophobicContact CZ-CG 3.54Å; L13-M97 HydrophobicContact CD1-CE 4.14Å; L13-M97 HydrophobicContact CD2-CE 4.02Å; I22-M97 HydrophobicContact CG2-CE 4.43Å; I22-M97 HydrophobicContact CG2-SD 3.97Å; L26-M97 HydrophobicContact CD1-CG 4.38Å; L26-M97 HydrophobicContact CD1-SD 3.85Å; L26-M97 HydrophobicContact CD2-CG 4.06Å; L26-M97 HydrophobicContact CD2-SD 4.12Å; L26-M97 HydrophobicContact CG-SD 4.25Å; V69-M97 HydrophobicContact CB-CE 4.47Å; V69-M97 HydrophobicContact CG2-CE 4.23Å; V93-M97 HydrophobicContact CG1-CG 4.14Å; V93-M97 VanDerWaalsContact O-CB 3.28Å; V93-M97 WeakPolarHBondContact O-CB 3.48Å; V93-M97 VanDerWaalsContact O-CG 3.22Å; V93-M97 WeakPolarHBondContact O-CG 3.3Å; V93-M97 PolarHBondContact O-N 3.13Å; E95-M97 VanDerWaalsContact C-N 3.33Å; E95-M97 PolarHBondContact O-N 3.19Å; M97-L100 PolarHBondContact O-N 2.89Å; M97-L100 HydrophobicContact SD-CD1 4.24Å; M97-S101 VanDerWaalsContact O-CB 3.26Å; M97-S101 WeakPolarHBondContact O-CB 3.12Å; M97-S101 PolarHBondContact O-N 3.47Å; M97-S101 PolarHBondContact O-OG 3.16Å; M97-S101 VanDerWaalsContact O-OG 3.08Å |
| 98 | K | 87.4 | Confident | 85.3 | Confident | 123 Ų | 123 | 70.4 Ų | 70.4 | 54% | 0.535 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -66.3 | -38.3 | 173.4 | -67.2 | 167.6 | -174.6 | 170.3 | 0 | 111.8 | E94 E95 R96 S101 | E94-K98 WeakPolarHBondContact O-CG 3.45Å; E94-K98 PolarHBondContact O-N 3.24Å; E95-K98 WeakPolarHBondContact O-CB 3.41Å; E95-K98 PolarHBondContact O-N 2.88Å; E95-K98 VanDerWaalsContact O-N 3.14Å; R96-K98 VanDerWaalsContact C-N 3.27Å; R96-K98 PolarHBondContact O-N 2.77Å; K98-S101 PolarHBondContact O-OG 2.69Å |
| 99 | E | 88.4 | Confident | 85.4 | Confident | 126 Ų | 126 | 73.8 Ų | 73.8 | 59% | 0.589 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -66.5 | -43.9 | 175.4 | -58.4 | 173.8 | 173.5 | 0 | 0 | 111.4 | E95 R96 S101 | E95-E99 PolarHBondContact O-N 2.94Å; R96-E99 VanDerWaalsContact CD-OE2 3.27Å; R96-E99 WeakPolarHBondContact CD-OE2 3.5Å; R96-E99 IonicContact CZ-OE2 3.3Å; R96-E99 IonicContact NE-OE2 3.61Å; R96-E99 IonicContact NH1-OE2 2.82Å; R96-E99 PolarHBondContact NH1-OE2 3.2Å; R96-E99 WeakPolarHBondContact O-CB 3.23Å; R96-E99 PolarHBondContact O-N 3.21Å; E99-S101 VanDerWaalsContact C-N 3.34Å |
| 100 | L | 86.2 | Confident | 85.5 | Confident | 42 Ų | 42 | 77.7 Ų | 77.7 | 22% | 0.22 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -71.2 | -28.8 | -177.4 | -67.6 | 169.8 | 0 | 0 | 0 | 112.7 | T21 L26 R96 M97 | T21-L100 HydrophobicContact CG2-CD2 4.48Å; L26-L100 HydrophobicContact CD2-CD1 4.15Å; L26-L100 HydrophobicContact CG-CD1 4.27Å; R96-L100 HydrophobicContact CG-CD1 4.03Å; R96-L100 WeakPolarHBondContact O-CG 3.49Å; R96-L100 PolarHBondContact O-N 2.93Å; M97-L100 PolarHBondContact O-N 2.89Å; M97-L100 HydrophobicContact SD-CD1 4.24Å |
| 101 | S | 76.7 | Confident | 85.5 | Confident | 9 Ų | 9 | 81.7 Ų | 81.7 | 6% | 0.063 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -85 | -8.9 | -177.8 | 69.1 | 0 | 0 | 0 | 0 | 114.2 | M97 K98 E99 D103 S104 T105 | M97-S101 VanDerWaalsContact O-CB 3.26Å; M97-S101 WeakPolarHBondContact O-CB 3.12Å; M97-S101 PolarHBondContact O-N 3.47Å; M97-S101 PolarHBondContact O-OG 3.16Å; M97-S101 VanDerWaalsContact O-OG 3.08Å; K98-S101 PolarHBondContact O-OG 2.69Å; E99-S101 VanDerWaalsContact C-N 3.34Å; S101-D103 VanDerWaalsContact C-N 3.29Å; S101-D103 PolarHBondContact O-N 3.14Å; S101-S104 WeakPolarHBondContact O-CB 3.12Å; S101-S104 PolarHBondContact O-N 3.24Å; S101-S104 PolarHBondContact O-OG 2.75Å; S101-T105 WeakPolarHBondContact OG-CG2 3.39Å; S101-T105 PolarHBondContact OG-OG1 3.06Å |
| 102 | Q | 67.3 | Low | 85.6 | Confident | 176 Ų | 176 | 82.1 Ų | 82.1 | 82% | 0.822 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 44.5 | 50.7 | -178.2 | -61.5 | -176.9 | -4.9 | 0 | 0 | 112.8 | S104 | Q102-S104 PolarHBondContact O-N 3Š|
| 103 | D | 57.1 | Low | 85.6 | Confident | 158 Ų | 158 | 80.5 Ų | 80.5 | 85% | 0.845 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.5 | 6.5 | -177.6 | -67 | -32.1 | 0 | 0 | 0 | 116.9 | S101 T105 | S101-D103 VanDerWaalsContact C-N 3.29Å; S101-D103 PolarHBondContact O-N 3.14Å; D103-T105 VanDerWaalsContact C-N 3.3Å |
| 104 | S | 60.5 | Low | 85.7 | Confident | 51 Ų | 51 | 83.7 Ų | 83.7 | 36% | 0.357 | 42% | 0.421 | S | S | . | . | trans | -89.6 | 12.5 | 171.1 | 73.1 | 0 | 0 | 0 | 0 | 114.1 | G14 S101 Q102 G106 | G14-S104 PolarHBondContact N-O 3.36Å; G14-S104 VanDerWaalsContact N-O 3.1Å; S101-S104 WeakPolarHBondContact O-CB 3.12Å; S101-S104 PolarHBondContact O-N 3.24Å; S101-S104 PolarHBondContact O-OG 2.75Å; Q102-S104 PolarHBondContact O-N 3Å; S104-G106 PolarHBondContact O-N 2.87Å | ||
| 105 | T | 61.3 | Low | 85.7 | Confident | 41 Ų | 41 | 83.3 Ų | 83.3 | 25% | 0.252 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.2 | 103.8 | 174.8 | -1 | 0 | 0 | 0 | 0 | 109 | L13 S101 D103 V108 | L13-T105 HydrophobicContact CD2-CG2 4.27Å; S101-T105 WeakPolarHBondContact OG-CG2 3.39Å; S101-T105 PolarHBondContact OG-OG1 3.06Å; D103-T105 VanDerWaalsContact C-N 3.3Å; T105-V108 HydrophobicContact CG2-CG2 4.39Å |
| 106 | G | 75.4 | Confident | 85.9 | Confident | 56 Ų | 56 | 83.8 Ų | 83.8 | 58% | 0.577 | 42% | 0.418 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.8 | -74.9 | -175.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | M12 S104 | M12-G106 CarbonylContact O-C 3.5Å; M12-G106 WeakPolarHBondContact O-CA 3.44Å; M12-G106 PolarHBondContact O-N 2.78Å; S104-G106 PolarHBondContact O-N 2.87Å |
| 107 | R | 89.1 | Confident | 86 | Confident | 192 Ų | 192 | 83 Ų | 83 | 73% | 0.725 | 44% | 0.435 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 133.6 | -179.8 | -175.8 | 180 | -74.3 | -179.6 | -3.5 | 110.4 | M12 | M12-R107 HydrophobicContact CB-CB 4.22Å; M12-R107 PolarHBondContact N-O 2.92Å; M12-R107 PolarHBondContact O-N 3.31Å |
| 108 | V | 94 | Very high | 86 | Confident | 60 Ų | 60 | 84.2 Ų | 84.2 | 36% | 0.364 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 136 | 170.2 | -173.3 | 0 | 0 | 0 | 0 | 108.5 | L9 D10 F11 T105 | L9-V108 HydrophobicContact CD1-CG1 3.67Å; D10-V108 CarbonylContact O-C 3.54Å; D10-V108 VanDerWaalsContact O-CA 3.29Å; D10-V108 WeakPolarHBondContact O-CA 3.31Å; F11-V108 HydrophobicContact CD1-CB 4.43Å; F11-V108 HydrophobicContact CD1-CG1 4.12Å; F11-V108 HydrophobicContact CD1-CG2 3.65Å; F11-V108 HydrophobicContact CE1-CG1 3.89Å; F11-V108 HydrophobicContact CE1-CG2 3.88Å; F11-V108 HydrophobicContact CZ-CG1 4.44Å; T105-V108 HydrophobicContact CG2-CG2 4.39Å |
| 109 | K | 97 | Very high | 86.3 | Confident | 117 Ų | 117 | 81.5 Ų | 81.5 | 51% | 0.509 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 121.7 | 175.6 | -168.8 | 68.5 | 173.5 | 176.5 | 0 | 109.7 | D10 L111 | D10-K109 HydrophobicContact CB-CB 4.28Å; D10-K109 PolarHBondContact N-O 3.48Å; D10-K109 PolarHBondContact O-N 3.02Å; K109-L111 HydrophobicContact CG-CD2 4.46Å; K109-L111 HydrophobicContact CG-CG 4.5Å |
| 110 | R | 97.4 | Very high | 86.7 | Confident | 84 Ų | 84 | 78.4 Ų | 78.4 | 32% | 0.317 | 44% | 0.435 | S | S | . | . | trans | -123.7 | 107.6 | 173.2 | -173 | 170.4 | 176.9 | 180 | -2.9 | 107.9 | L9 D87 N91 E94 | L9-R110 HydrophobicContact CD1-CB 3.91Å; L9-R110 HydrophobicContact CD1-CG 4.34Å; D87-R110 IonicContact OD1-NH2 3.96Å; N91-R110 PolarHBondContact OD1-NH1 3.38Å; E94-R110 WeakPolarHBondContact OE1-CD 3.37Å; E94-R110 IonicContact OE1-CZ 3.77Å; E94-R110 IonicContact OE1-NE 2.87Å; E94-R110 IonicContact OE1-NH1 2.7Å; E94-R110 PolarHBondContact OE1-NH1 3.42Å | ||
| 111 | L | 97.8 | Very high | 87.2 | Confident | 84 Ų | 84 | 80 Ų | 80 | 44% | 0.44 | 44% | 0.444 | S | S | . | . | P | Polyproline II helix | trans | -82.1 | 159.2 | 177.2 | -67.4 | 177 | 0 | 0 | 0 | 110.2 | K109 | K109-L111 HydrophobicContact CG-CD2 4.46Å; K109-L111 HydrophobicContact CG-CG 4.5Å |
| 112 | P | 97.6 | Very high | 88.2 | Confident | 87 Ų | 87 | 82.8 Ų | 82.8 | 57% | 0.565 | 45% | 0.453 | S | S | * | . | P | Polyproline II helix | trans | -52.2 | 134.7 | 165.5 | -25.3 | 35.6 | 0 | 0 | 0 | 110.5 | ||
| 113 | P | 96.7 | Very high | 89.7 | Confident | 35 Ų | 35 | 76 Ų | 76 | 23% | 0.227 | 42% | 0.42 | C | S | . | . | P | Polyproline II helix | trans | -61.7 | 138.9 | 176.8 | -29.7 | 40.5 | 0 | 0 | 0 | 112.3 | R5 H6 S7 | R5-P113 HydrophobicContact CG-CB 3.77Å; H6-P113 CarbonylContact O-C 3.58Å; H6-P113 VanDerWaalsContact O-CA 3.24Å; H6-P113 WeakPolarHBondContact O-CA 2.94Å; H6-P113 WeakPolarHBondContact O-CB 3.34Å; S7-P113 WeakPolarHBondContact OG-CB 3.33Å; S7-P113 WeakPolarHBondContact OG-CG 3.39Å |
| 114 | I | 97.6 | Very high | 91.7 | Very high | 66 Ų | 66 | 69.5 Ų | 69.5 | 34% | 0.338 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 126.5 | 179.8 | -64.7 | 175.1 | 0 | 0 | 0 | 109.5 | H6 R116 Y123 L131 | H6-I114 PolarHBondContact N-O 3.48Å; H6-I114 PolarHBondContact O-N 2.99Å; I114-R116 HydrophobicContact CG2-CG 4.1Å; I114-Y123 WeakPolarHBondContact CA-OH 3.29Å; I114-Y123 HydrophobicContact CG1-CE1 4.39Å; I114-Y123 HydrophobicContact CG2-CE1 4.21Å; I114-Y123 HydrophobicContact CG2-CE2 4.05Å; I114-L131 HydrophobicContact CD1-CD2 4.12Å |
| 115 | V | 95.9 | Very high | 93.5 | Very high | 37 Ų | 37 | 71 Ų | 71 | 22% | 0.224 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 126.3 | 172.1 | -178.5 | 0 | 0 | 0 | 0 | 109.1 | A3 A4 Y123 | A3-V115 HydrophobicContact CB-CG1 4.22Å; A4-V115 CarbonylContact O-C 3.59Å; V115-Y123 PolarHBondContact N-OH 3.33Å; V115-Y123 WeakPolarHBondContact O-CE2 3.3Å |
| 116 | R | 95.9 | Very high | 95.3 | Very high | 136 Ų | 136 | 69.6 Ų | 69.6 | 51% | 0.513 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 128 | -176.1 | -59.7 | 175.1 | 64.4 | -176.6 | -1.8 | 109.4 | A3 A4 I114 G118 | A3-R116 WeakPolarHBondContact CA-O 3.12Å; A4-R116 PolarHBondContact N-O 3.29Å; A4-R116 PolarHBondContact O-N 3.3Å; I114-R116 HydrophobicContact CG2-CG 4.1Å; R116-G118 PolarHBondContact O-N 2.88Å |
| 117 | G | 94.4 | Very high | 96.3 | Very high | 62 Ų | 62 | 69 Ų | 69 | 64% | 0.639 | 37% | 0.373 | S | S | * | . | S | Bend | trans | 67.2 | 26.9 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 118 | G | 92.6 | Very high | 96.8 | Very high | 27 Ų | 27 | 62 Ų | 62 | 28% | 0.278 | 35% | 0.35 | S | S | . | . | trans | -61.7 | 147.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | R116 I120 | R116-G118 PolarHBondContact O-N 2.88Å; G118-I120 PolarHBondContact O-N 3.25Å | ||
| 119 | A | 93 | Very high | 96.9 | Very high | 65 Ų | 65 | 62.1 Ų | 62.1 | 54% | 0.537 | 36% | 0.363 | S | S | . | . | S | Bend | trans | -66.6 | -23.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | M1 | M1-A119 HydrophobicContact CE-CB 3.62Å; M1-A119 HydrophobicContact SD-CB 4.49Å |
| 120 | I | 96.1 | Very high | 97 | Very high | 62 Ų | 62 | 61 Ų | 61 | 32% | 0.318 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -115.3 | 115 | 175 | -57.2 | 172.1 | 0 | 0 | 0 | 106.2 | G118 R122 I136 D137 V139 | G118-I120 PolarHBondContact O-N 3.25Å; I120-R122 HydrophobicContact CG2-CG 4.41Å; I120-I136 HydrophobicContact CG2-CB 4.11Å; I120-I136 HydrophobicContact CG2-CG2 3.52Å; I120-D137 WeakPolarHBondContact CD1-O 3.47Å; I120-V139 HydrophobicContact CB-CG2 4.49Å; I120-V139 HydrophobicContact CG1-CG2 4.26Å; I120-V139 HydrophobicContact CG2-CG2 4.42Å |
| 121 | D | 97.8 | Very high | 97.1 | Very high | 76 Ų | 76 | 62.5 Ų | 62.5 | 41% | 0.406 | 37% | 0.37 | S | S | . | . | trans | -83.7 | 122.8 | 175.4 | -161.5 | -11.4 | 0 | 0 | 0 | 110.5 | Y123 W124 | D121-Y123 PolarHBondContact OD1-N 3.42Å; D121-W124 HydrophobicContact CB-CZ2 4.18Å; D121-W124 PolarHBondContact O-NE1 2.88Å | ||
| 122 | R | 98.4 | Very high | 97.1 | Very high | 67 Ų | 67 | 59.6 Ų | 59.6 | 25% | 0.253 | 36% | 0.355 | S | S | . | . | trans | -108 | -5.5 | -177.2 | -68.2 | 168 | 63.1 | 85.4 | 2.7 | 112.1 | I120 E133 Y134 I136 | I120-R122 HydrophobicContact CG2-CG 4.41Å; R122-E133 HydrophobicContact CB-CG 4.01Å; R122-E133 IonicContact CZ-OE1 2.69Å; R122-E133 VanDerWaalsContact CZ-OE1 3.3Å; R122-E133 IonicContact NE-OE1 3.21Å; R122-E133 PolarHBondContact NE-OE1 3.35Å; R122-E133 IonicContact NH2-OE1 2.89Å; R122-E133 PolarHBondContact NH2-OE1 3.47Å; R122-E133 WeakPolarHBondContact O-CA 3.37Å; R122-Y134 PolarHBondContact NE-O 3.2Å; R122-Y134 PolarHBondContact NH1-O 3.24Å; R122-Y134 PolarHBondContact NH2-O 3.2Å; R122-Y134 VanDerWaalsContact NH2-O 3.08Å; R122-Y134 PolarHBondContact O-N 2.91Å; R122-I136 HydrophobicContact CG-CB 4.08Å; R122-I136 PolarHBondContact NH1-O 2.9Å | ||
| 123 | Y | 98.6 | Very high | 97.2 | Very high | 32 Ų | 32 | 59.2 Ų | 59.2 | 13% | 0.125 | 35% | 0.346 | C | S | . | . | B | Isolated β-bridge | trans | -110.4 | 96.7 | -168.7 | -52.9 | -77 | 0 | 0 | 0 | 109.9 | I114 V115 D121 P125 L131 E133 | I114-Y123 WeakPolarHBondContact CA-OH 3.29Å; I114-Y123 HydrophobicContact CG1-CE1 4.39Å; I114-Y123 HydrophobicContact CG2-CE1 4.21Å; I114-Y123 HydrophobicContact CG2-CE2 4.05Å; V115-Y123 PolarHBondContact N-OH 3.33Å; V115-Y123 WeakPolarHBondContact O-CE2 3.3Å; D121-Y123 PolarHBondContact OD1-N 3.42Å; Y123-P125 WeakPolarHBondContact O-CD 3.24Å; Y123-L131 HydrophobicContact CD1-CD1 4.23Å; Y123-E133 HydrophobicContact CD1-CB 4.04Å; Y123-E133 HydrophobicContact CD1-CG 4.09Å; Y123-E133 HydrophobicContact CE1-CB 3.88Å; Y123-E133 HydrophobicContact CE1-CG 3.65Å |
| 124 | W | 98.4 | Very high | 97.3 | Very high | 23 Ų | 23 | 57.9 Ų | 57.9 | 9% | 0.087 | 34% | 0.336 | C | S | . | . | trans | -116.6 | 92.3 | 179.8 | -63.3 | 100.8 | 0 | 0 | 0 | 109.1 | D121 V132 Y134 K151 L153 I163 V168 | D121-W124 HydrophobicContact CB-CZ2 4.18Å; D121-W124 PolarHBondContact O-NE1 2.88Å; W124-V132 WeakPolarHBondContact O-CG2 3.4Å; W124-Y134 HydrophobicContact CB-CD2 4.04Å; W124-Y134 HydrophobicContact CB-CE2 3.73Å; W124-Y134 HydrophobicContact CG-CD2 4.49Å; W124-K151 HydrophobicContact CH2-CD 3.69Å; W124-K151 HydrophobicContact CZ2-CD 3.9Å; W124-L153 HydrophobicContact CZ2-CD1 3.72Å; W124-L153 VanDerWaalsContact NE1-CD1 3.28Å; W124-I163 HydrophobicContact CD2-CD1 3.69Å; W124-I163 HydrophobicContact CD2-CG2 4.49Å; W124-I163 HydrophobicContact CE3-CD1 4.25Å; W124-I163 HydrophobicContact CE3-CG2 4.02Å; W124-I163 HydrophobicContact CG-CD1 4Å; W124-I163 HydrophobicContact CH2-CG2 4.27Å; W124-I163 HydrophobicContact CZ2-CD1 3.95Å; W124-I163 HydrophobicContact CZ3-CG2 3.93Å; W124-V168 HydrophobicContact CB-CG2 4.25Å | ||
| 125 | P | 98.6 | Very high | 97.3 | Very high | 81 Ų | 81 | 56.2 Ų | 56.2 | 53% | 0.526 | 33% | 0.328 | S | S | . | . | trans | -56.8 | 148.4 | -177.3 | -25 | 35.1 | 0 | 0 | 0 | 112.6 | Y123 R130 | Y123-P125 WeakPolarHBondContact O-CD 3.24Å; P125-R130 VanDerWaalsContact CA-O 3.25Å; P125-R130 WeakPolarHBondContact CA-O 3.44Å | ||
| 126 | T | 98.6 | Very high | 97.4 | Very high | 12 Ų | 12 | 54.6 Ų | 54.6 | 7% | 0.074 | 32% | 0.318 | C | S | . | . | trans | -73.2 | 166.1 | 178.9 | 56.2 | 0 | 0 | 0 | 0 | 111.8 | D128 G129 R130 V132 E353 | T126-D128 WeakPolarHBondContact CB-OD1 3.41Å; T126-D128 PolarHBondContact O-N 3.01Å; T126-D128 PolarHBondContact OG1-OD1 2.69Å; T126-G129 WeakPolarHBondContact O-CA 3.38Å; T126-G129 PolarHBondContact O-N 2.89Å; T126-R130 PolarHBondContact N-O 2.87Å; T126-R130 VanDerWaalsContact N-O 3.09Å; T126-R130 VanDerWaalsContact OG1-CB 3.31Å; T126-R130 WeakPolarHBondContact OG1-CB 3.32Å; T126-R130 PolarHBondContact OG1-N 2.66Å; T126-R130 PolarHBondContact OG1-NH2 3.15Å; T126-R130 PolarHBondContact OG1-O 2.8Å; T126-V132 HydrophobicContact CG2-CG1 3.9Å; T126-V132 HydrophobicContact CG2-CG2 4.02Å; T126-E353 VanDerWaalsContact CB-OE1 3.3Å; T126-E353 WeakPolarHBondContact CB-OE1 3.27Å | ||
| 127 | A | 97.6 | Very high | 97.5 | Very high | 45 Ų | 45 | 51.3 Ų | 51.3 | 37% | 0.372 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -31.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | G129 C318 L321 E353 W355 | A127-G129 VanDerWaalsContact C-N 3.27Å; A127-G129 PolarHBondContact O-N 2.85Å; A127-C318 HydrophobicContact CB-CB 3.92Å; A127-L321 HydrophobicContact CB-CD1 4.32Å; A127-E353 PolarHBondContact N-OE1 3.06Å; A127-W355 HydrophobicContact CB-CH2 3.82Å; A127-W355 HydrophobicContact CB-CZ3 3.87Å |
| 128 | D | 97.7 | Very high | 97.7 | Very high | 45 Ų | 45 | 53.5 Ų | 53.5 | 24% | 0.241 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | 10.8 | 172.9 | 73.3 | -20.8 | 0 | 0 | 0 | 114.6 | T126 R130 N320 L321 | T126-D128 WeakPolarHBondContact CB-OD1 3.41Å; T126-D128 PolarHBondContact O-N 3.01Å; T126-D128 PolarHBondContact OG1-OD1 2.69Å; D128-R130 VanDerWaalsContact CG-NE 3.29Å; D128-R130 IonicContact OD1-CZ 2.76Å; D128-R130 VanDerWaalsContact OD1-CZ 3.28Å; D128-R130 IonicContact OD1-NE 3.71Å; D128-R130 PolarHBondContact OD1-NE 2.86Å; D128-R130 IonicContact OD1-NH2 2.61Å; D128-R130 PolarHBondContact OD1-NH2 3.44Å; D128-R130 IonicContact OD2-CZ 3.64Å; D128-R130 IonicContact OD2-NE 3.14Å; D128-R130 PolarHBondContact OD2-NE 3.46Å; D128-R130 IonicContact OD2-NH2 2.62Å; D128-N320 HydrophobicContact CB-CB 4.17Å; D128-N320 PolarHBondContact OD2-ND2 3.2Å; D128-L321 HydrophobicContact CB-CD2 4.37Å |
| 129 | G | 97.6 | Very high | 98 | Very high | 62 Ų | 62 | 54.8 Ų | 54.8 | 64% | 0.639 | 31% | 0.307 | S | S | * | . | trans | 80.7 | 19.4 | 169.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | T126 A127 | T126-G129 WeakPolarHBondContact O-CA 3.38Å; T126-G129 PolarHBondContact O-N 2.89Å; A127-G129 VanDerWaalsContact C-N 3.27Å; A127-G129 PolarHBondContact O-N 2.85Å | ||
| 130 | R | 98.6 | Very high | 98.3 | Very high | 94 Ų | 94 | 53 Ų | 53 | 36% | 0.355 | 29% | 0.289 | S | S | . | . | trans | -81.8 | 138.8 | 175.6 | -63 | 175.2 | -75.8 | 107.2 | 6.6 | 110.6 | P125 T126 D128 V132 L352 E353 | P125-R130 VanDerWaalsContact CA-O 3.25Å; P125-R130 WeakPolarHBondContact CA-O 3.44Å; T126-R130 PolarHBondContact N-O 2.87Å; T126-R130 VanDerWaalsContact N-O 3.09Å; T126-R130 VanDerWaalsContact OG1-CB 3.31Å; T126-R130 WeakPolarHBondContact OG1-CB 3.32Å; T126-R130 PolarHBondContact OG1-N 2.66Å; T126-R130 PolarHBondContact OG1-NH2 3.15Å; T126-R130 PolarHBondContact OG1-O 2.8Å; D128-R130 VanDerWaalsContact CG-NE 3.29Å; D128-R130 IonicContact OD1-CZ 2.76Å; D128-R130 VanDerWaalsContact OD1-CZ 3.28Å; D128-R130 IonicContact OD1-NE 3.71Å; D128-R130 PolarHBondContact OD1-NE 2.86Å; D128-R130 IonicContact OD1-NH2 2.61Å; D128-R130 PolarHBondContact OD1-NH2 3.44Å; D128-R130 IonicContact OD2-CZ 3.64Å; D128-R130 IonicContact OD2-NE 3.14Å; D128-R130 PolarHBondContact OD2-NE 3.46Å; D128-R130 IonicContact OD2-NH2 2.62Å; R130-V132 PolarHBondContact O-N 3.49Å; R130-L352 PolarHBondContact NH1-O 3.42Å; R130-E353 IonicContact NH2-OE2 2.92Å; R130-E353 PolarHBondContact NH2-OE2 2.95Å | ||
| 131 | L | 98.7 | Very high | 98.4 | Very high | 115 Ų | 115 | 52 Ų | 52 | 60% | 0.602 | 28% | 0.281 | S | S | * | . | trans | -73 | 120.9 | 169.8 | 178.4 | 62.6 | 0 | 0 | 0 | 109.7 | I114 Y123 | I114-L131 HydrophobicContact CD1-CD2 4.12Å; Y123-L131 HydrophobicContact CD1-CD1 4.23Å | ||
| 132 | V | 98.6 | Very high | 98.5 | Very high | 23 Ų | 23 | 51.7 Ų | 51.7 | 14% | 0.139 | 28% | 0.28 | C | S | . | . | trans | -129 | 149.4 | 173.6 | -63.1 | 0 | 0 | 0 | 0 | 109.7 | W124 T126 R130 Y134 L352 | W124-V132 WeakPolarHBondContact O-CG2 3.4Å; T126-V132 HydrophobicContact CG2-CG1 3.9Å; T126-V132 HydrophobicContact CG2-CG2 4.02Å; R130-V132 PolarHBondContact O-N 3.49Å; V132-Y134 HydrophobicContact CG2-CD2 4.36Å; V132-Y134 HydrophobicContact CG2-CE2 3.73Å; V132-L352 HydrophobicContact CB-CD1 3.94Å; V132-L352 HydrophobicContact CG1-CD1 4.39Å; V132-L352 HydrophobicContact CG2-CD1 4Å | ||
| 133 | E | 98.8 | Very high | 98.5 | Very high | 78 Ų | 78 | 53.6 Ų | 53.6 | 36% | 0.364 | 29% | 0.292 | S | S | . | . | B | Isolated β-bridge | trans | -114.3 | 127.5 | 174.6 | -174.5 | -171.9 | 161.2 | 0 | 0 | 109 | R122 Y123 | R122-E133 HydrophobicContact CB-CG 4.01Å; R122-E133 IonicContact CZ-OE1 2.69Å; R122-E133 VanDerWaalsContact CZ-OE1 3.3Å; R122-E133 IonicContact NE-OE1 3.21Å; R122-E133 PolarHBondContact NE-OE1 3.35Å; R122-E133 IonicContact NH2-OE1 2.89Å; R122-E133 PolarHBondContact NH2-OE1 3.47Å; R122-E133 WeakPolarHBondContact O-CA 3.37Å; Y123-E133 HydrophobicContact CD1-CB 4.04Å; Y123-E133 HydrophobicContact CD1-CG 4.09Å; Y123-E133 HydrophobicContact CE1-CB 3.88Å; Y123-E133 HydrophobicContact CE1-CG 3.65Å |
| 134 | Y | 98.8 | Very high | 98.5 | Very high | 7 Ų | 7 | 57.7 Ų | 57.7 | 3% | 0.027 | 32% | 0.316 | C | S | . | . | trans | -92.2 | 156.1 | 173.7 | -73.7 | -102 | 0 | 0 | 0 | 111.1 | R122 W124 V132 I136 F158 I161 S350 L352 | R122-Y134 PolarHBondContact NE-O 3.2Å; R122-Y134 PolarHBondContact NH1-O 3.24Å; R122-Y134 PolarHBondContact NH2-O 3.2Å; R122-Y134 VanDerWaalsContact NH2-O 3.08Å; R122-Y134 PolarHBondContact O-N 2.91Å; W124-Y134 HydrophobicContact CB-CD2 4.04Å; W124-Y134 HydrophobicContact CB-CE2 3.73Å; W124-Y134 HydrophobicContact CG-CD2 4.49Å; V132-Y134 HydrophobicContact CG2-CD2 4.36Å; V132-Y134 HydrophobicContact CG2-CE2 3.73Å; Y134-I136 PolarHBondContact O-N 3.19Å; Y134-F158 HydrophobicContact CD1-CD2 4.15Å; Y134-F158 HydrophobicContact CD1-CE2 4.06Å; Y134-F158 HydrophobicContact CE1-CD2 4.38Å; Y134-F158 HydrophobicContact CE1-CE2 4.18Å; Y134-I161 HydrophobicContact CD1-CD1 3.92Å; Y134-I161 HydrophobicContact CE1-CD1 4.19Å; Y134-S350 WeakPolarHBondContact CE1-O 3.21Å; Y134-S350 PolarHBondContact OH-O 2.74Å; Y134-L352 HydrophobicContact CD1-CD1 4.33Å; Y134-L352 HydrophobicContact CD2-CD1 4.32Å; Y134-L352 HydrophobicContact CE1-CD1 3.85Å; Y134-L352 HydrophobicContact CE1-CG 4.12Å; Y134-L352 HydrophobicContact CE2-CD1 3.83Å | ||
| 135 | D | 98.6 | Very high | 98.5 | Very high | 32 Ų | 32 | 57.3 Ų | 57.3 | 17% | 0.171 | 32% | 0.317 | C | S | . | . | trans | -81.7 | 42.8 | 175.7 | 63.3 | -35 | 0 | 0 | 0 | 113.3 | S155 K156 Q157 | D135-S155 PolarHBondContact OD1-OG 3.48Å; D135-S155 PolarHBondContact OD2-OG 3.11Å; D135-K156 WeakPolarHBondContact OD2-CB 3.1Å; D135-K156 PolarHBondContact OD2-N 3.34Å; D135-Q157 PolarHBondContact OD1-NE2 3.07Å; D135-Q157 WeakPolarHBondContact OD2-CB 3.19Å; D135-Q157 WeakPolarHBondContact OD2-CG 3.38Å; D135-Q157 PolarHBondContact OD2-N 3.24Å; D135-Q157 PolarHBondContact OD2-NE2 2.94Å | ||
| 136 | I | 98.8 | Very high | 98.4 | Very high | 3 Ų | 3 | 59 Ų | 59 | 2% | 0.015 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 127.7 | -178.3 | -50.4 | -55.3 | 0 | 0 | 0 | 112.1 | I120 R122 Y134 L153 H154 I161 | I120-I136 HydrophobicContact CG2-CB 4.11Å; I120-I136 HydrophobicContact CG2-CG2 3.52Å; R122-I136 HydrophobicContact CG-CB 4.08Å; R122-I136 PolarHBondContact NH1-O 2.9Å; Y134-I136 PolarHBondContact O-N 3.19Å; I136-L153 HydrophobicContact CD1-CB 4Å; I136-L153 HydrophobicContact CG1-CB 4.38Å; I136-L153 HydrophobicContact CG1-CD1 4.4Å; I136-L153 HydrophobicContact CG2-CB 3.82Å; I136-L153 HydrophobicContact CG2-CD1 4.33Å; I136-H154 WeakPolarHBondContact CA-O 3.42Å; I136-H154 WeakPolarHBondContact CG2-O 3.3Å; I136-I161 HydrophobicContact CD1-CD1 3.96Å |
| 137 | D | 98.3 | Very high | 98.3 | Very high | 67 Ų | 67 | 63.2 Ų | 63.2 | 36% | 0.358 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | -5.3 | 177.4 | 61.7 | -4 | 0 | 0 | 0 | 114.6 | I120 H154 K156 | I120-D137 WeakPolarHBondContact CD1-O 3.47Å; D137-H154 PolarHBondContact N-O 2.52Å; D137-H154 VanDerWaalsContact N-O 3.07Å; D137-H154 IonicContact OD1-CD2 3.84Å; D137-H154 PolarHBondContact OD1-CD2 3.12Å; D137-H154 IonicContact OD1-CG 3.25Å; D137-K156 WeakPolarHBondContact OD2-CE 3.18Å; D137-K156 WeakPolarHBondContact OD2-CG 3.43Å |
| 138 | E | 98.6 | Very high | 98.3 | Very high | 107 Ų | 107 | 61.7 Ų | 61.7 | 50% | 0.5 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 138.9 | 176.1 | -169.5 | 177.1 | -178.4 | 0 | 0 | 112.4 | V140 L153 H154 | E138-V140 HydrophobicContact CB-CG2 4.43Å; E138-V140 HydrophobicContact CG-CG2 4.18Å; E138-L153 WeakPolarHBondContact O-CA 3.43Å; E138-H154 HydrophobicContact CB-CB 3.82Å; E138-H154 PolarHBondContact O-N 2.95Å |
| 139 | V | 98.6 | Very high | 98.3 | Very high | 54 Ų | 54 | 61.2 Ų | 61.2 | 33% | 0.327 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 103.6 | 162.5 | 179.8 | 0 | 0 | 0 | 0 | 107.1 | I120 D142 L153 | I120-V139 HydrophobicContact CB-CG2 4.49Å; I120-V139 HydrophobicContact CG1-CG2 4.26Å; I120-V139 HydrophobicContact CG2-CG2 4.42Å; V139-D142 HydrophobicContact CG1-CB 3.87Å; V139-L153 HydrophobicContact CB-CD2 4.14Å; V139-L153 HydrophobicContact CG1-CD2 4.01Å; V139-L153 HydrophobicContact CG2-CD2 3.9Å |
| 140 | V | 98.8 | Very high | 98.4 | Very high | 27 Ų | 27 | 58.2 Ų | 58.2 | 16% | 0.164 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | -35.4 | -175.2 | -178.1 | 0 | 0 | 0 | 0 | 111 | E138 I152 H154 Y232 | E138-V140 HydrophobicContact CB-CG2 4.43Å; E138-V140 HydrophobicContact CG-CG2 4.18Å; V140-I152 WeakPolarHBondContact CA-O 3.39Å; V140-I152 HydrophobicContact CB-CB 4.39Å; V140-I152 HydrophobicContact CB-CG2 4.18Å; V140-I152 VanDerWaalsContact CB-O 3.28Å; V140-I152 WeakPolarHBondContact CB-O 3.38Å; V140-I152 HydrophobicContact CG1-CG2 4.46Å; V140-I152 PolarHBondContact N-O 3.02Å; V140-H154 HydrophobicContact CG2-CB 3.92Å; V140-Y232 HydrophobicContact CG1-CD1 3.34Å; V140-Y232 HydrophobicContact CG1-CD2 4.18Å; V140-Y232 HydrophobicContact CG1-CE1 3.7Å; V140-Y232 HydrophobicContact CG1-CE2 4.46Å; V140-Y232 HydrophobicContact CG1-CG 3.58Å |
| 141 | Y | 98.7 | Very high | 98.4 | Very high | 41 Ų | 41 | 55.4 Ų | 55.4 | 16% | 0.161 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 139.1 | 178.9 | -171.6 | -104.4 | 0 | 0 | 0 | 109.4 | E143 I150 K151 I152 M224 Y232 | Y141-E143 HydrophobicContact CD2-CG 4.21Å; Y141-E143 HydrophobicContact CE1-CB 3.86Å; Y141-E143 HydrophobicContact CE1-CG 4.07Å; Y141-E143 HydrophobicContact CE2-CB 4.25Å; Y141-E143 HydrophobicContact CE2-CG 3.58Å; Y141-I150 HydrophobicContact CD1-CB 4.36Å; Y141-I150 HydrophobicContact CD1-CG2 3.9Å; Y141-I150 HydrophobicContact CE1-CB 3.94Å; Y141-I150 HydrophobicContact CE1-CG2 3.73Å; Y141-K151 CarbonylContact O-C 3.59Å; Y141-K151 VanDerWaalsContact O-CA 3.26Å; Y141-K151 WeakPolarHBondContact O-CA 3.34Å; Y141-I152 PolarHBondContact N-O 2.72Å; Y141-I152 PolarHBondContact O-N 3.12Å; Y141-M224 VanDerWaalsContact OH-CE 3.28Å; Y141-M224 WeakPolarHBondContact OH-CE 3.35Å; Y141-Y232 HydrophobicContact CD2-CD2 4.49Å; Y141-Y232 AromaticContact CD2-CE2 3.74Å; Y141-Y232 HydrophobicContact CD2-CE2 3.74Å; Y141-Y232 HydrophobicContact CG-CD2 4.47Å; Y141-Y232 HydrophobicContact CG-CE2 4.11Å |
| 142 | D | 98.6 | Very high | 98.4 | Very high | 70 Ų | 70 | 50 Ų | 50 | 37% | 0.374 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.4 | 97.5 | 173.8 | -173 | 0.1 | 0 | 0 | 0 | 108.8 | V139 N149 I150 K151 | V139-D142 HydrophobicContact CG1-CB 3.87Å; D142-N149 PolarHBondContact OD1-ND2 3.18Å; D142-N149 VanDerWaalsContact OD1-ND2 3.15Å; D142-I150 WeakPolarHBondContact CA-O 3.26Å; D142-K151 HydrophobicContact CB-CG 4.39Å; D142-K151 IonicContact OD1-NZ 3.01Å; D142-K151 PolarHBondContact OD1-NZ 2.84Å; D142-K151 IonicContact OD2-NZ 3.44Å; D142-K151 PolarHBondContact OD2-NZ 2.97Å |
| 143 | E | 98.6 | Very high | 98.4 | Very high | 107 Ų | 107 | 49 Ų | 49 | 50% | 0.5 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 150.4 | -177.1 | -63.1 | -68.3 | 165.9 | 0 | 0 | 110.3 | Y141 I150 M224 | Y141-E143 HydrophobicContact CD2-CG 4.21Å; Y141-E143 HydrophobicContact CE1-CB 3.86Å; Y141-E143 HydrophobicContact CE1-CG 4.07Å; Y141-E143 HydrophobicContact CE2-CB 4.25Å; Y141-E143 HydrophobicContact CE2-CG 3.58Å; E143-I150 PolarHBondContact N-O 3.2Å; E143-I150 PolarHBondContact O-N 3.16Å; E143-M224 HydrophobicContact CB-CE 3.81Å |
| 144 | D | 98.6 | Very high | 98.4 | Very high | 119 Ų | 119 | 47.9 Ų | 47.9 | 64% | 0.636 | 25% | 0.245 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 123.7 | 172.1 | -65.2 | -40.1 | 0 | 0 | 0 | 110 | N149 | D144-N149 WeakPolarHBondContact OD1-CA 3.33Å; D144-N149 VanDerWaalsContact OD1-CB 3.3Å; D144-N149 WeakPolarHBondContact OD1-CB 3.26Å; D144-N149 PolarHBondContact OD1-ND2 3.11Å |
| 145 | S | 98.2 | Very high | 98.4 | Very high | 15 Ų | 15 | 47.5 Ų | 47.5 | 11% | 0.105 | 24% | 0.244 | C | C | . | . | trans | -87.5 | 173.7 | 167.5 | 87 | 0 | 0 | 0 | 0 | 110.5 | Y147 Q148 D222 | S145-Y147 PolarHBondContact O-N 2.81Å; S145-Y147 PolarHBondContact OG-N 3.1Å; S145-Q148 PolarHBondContact N-O 2.88Å; S145-Q148 PolarHBondContact OG-N 3.29Å; S145-Q148 VanDerWaalsContact OG-N 3.11Å; S145-Q148 PolarHBondContact OG-O 3.31Å; S145-D222 VanDerWaalsContact CB-OD2 3.31Å; S145-D222 WeakPolarHBondContact CB-OD2 3.16Å; S145-D222 PolarHBondContact OG-OD2 3.43Å | ||
| 146 | P | 97.4 | Very high | 98.4 | Very high | 117 Ų | 117 | 52.9 Ų | 52.9 | 76% | 0.76 | 27% | 0.266 | S | S | * | . | S | Bend | trans | -58.9 | -13.2 | 169.5 | -24.6 | 36 | 0 | 0 | 0 | 114.5 | ||
| 147 | Y | 95.7 | Very high | 98.4 | Very high | 99 Ų | 99 | 58.7 Ų | 58.7 | 39% | 0.388 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -112.8 | -37.7 | -172.7 | -52.1 | -75.1 | 0 | 0 | 0 | 113.4 | S145 I221 D222 I282 T284 | S145-Y147 PolarHBondContact O-N 2.81Å; S145-Y147 PolarHBondContact OG-N 3.1Å; Y147-I221 HydrophobicContact CD1-CD1 3.96Å; Y147-I221 HydrophobicContact CD1-CG1 4.21Å; Y147-I221 HydrophobicContact CE1-CD1 3.69Å; Y147-I221 HydrophobicContact CE1-CG1 3.74Å; Y147-I221 HydrophobicContact CE2-CG1 4.38Å; Y147-I221 WeakPolarHBondContact CE2-O 3.38Å; Y147-D222 HydrophobicContact CD2-CB 3.91Å; Y147-D222 HydrophobicContact CE2-CB 4.46Å; Y147-I282 HydrophobicContact CD1-CG2 4.11Å; Y147-T284 HydrophobicContact CE1-CG2 4.34Å |
| 148 | Q | 97.4 | Very high | 98.4 | Very high | 14 Ų | 14 | 56.3 Ų | 56.3 | 7% | 0.065 | 28% | 0.279 | C | S | . | . | trans | -163.1 | 161 | -169.4 | 61.1 | -160.6 | -40.2 | 0 | 0 | 112.9 | S145 I150 S165 D222 | S145-Q148 PolarHBondContact N-O 2.88Å; S145-Q148 PolarHBondContact OG-N 3.29Å; S145-Q148 VanDerWaalsContact OG-N 3.11Å; S145-Q148 PolarHBondContact OG-O 3.31Å; Q148-I150 HydrophobicContact CG-CG1 3.98Å; Q148-S165 WeakPolarHBondContact CB-OG 3.38Å; Q148-D222 PolarHBondContact NE2-OD2 3.33Å; Q148-D222 VanDerWaalsContact NE2-OD2 3.07Å | ||
| 149 | N | 98.5 | Very high | 98.4 | Very high | 34 Ų | 34 | 51.6 Ų | 51.6 | 18% | 0.182 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 133.7 | 164.4 | 178.8 | -109.5 | 0 | 0 | 0 | 109.4 | D142 D144 K151 L164 S165 | D142-N149 PolarHBondContact OD1-ND2 3.18Å; D142-N149 VanDerWaalsContact OD1-ND2 3.15Å; D144-N149 WeakPolarHBondContact OD1-CA 3.33Å; D144-N149 VanDerWaalsContact OD1-CB 3.3Å; D144-N149 WeakPolarHBondContact OD1-CB 3.26Å; D144-N149 PolarHBondContact OD1-ND2 3.11Å; N149-K151 WeakPolarHBondContact OD1-CE 3.36Å; N149-K151 WeakPolarHBondContact OD1-CG 3.46Å; N149-K151 PolarHBondContact OD1-NZ 3.23Å; N149-K151 VanDerWaalsContact OD1-NZ 3.07Å; N149-L164 WeakPolarHBondContact O-CA 3.5Å; N149-S165 PolarHBondContact O-N 2.89Å |
| 150 | I | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 117.7 | -178 | -53.9 | 167.4 | 0 | 0 | 0 | 108.2 | Y141 D142 E143 Q148 L162 L164 M224 V225 | Y141-I150 HydrophobicContact CD1-CB 4.36Å; Y141-I150 HydrophobicContact CD1-CG2 3.9Å; Y141-I150 HydrophobicContact CE1-CB 3.94Å; Y141-I150 HydrophobicContact CE1-CG2 3.73Å; D142-I150 WeakPolarHBondContact CA-O 3.26Å; E143-I150 PolarHBondContact N-O 3.2Å; E143-I150 PolarHBondContact O-N 3.16Å; Q148-I150 HydrophobicContact CG-CG1 3.98Å; I150-L162 HydrophobicContact CG2-CD1 4.06Å; I150-L164 HydrophobicContact CB-CD2 4.21Å; I150-L164 HydrophobicContact CG1-CD2 3.99Å; I150-L164 HydrophobicContact CG2-CD2 3.89Å; I150-M224 HydrophobicContact CD1-CB 3.58Å; I150-V225 HydrophobicContact CD1-CG2 3.64Å; I150-V225 HydrophobicContact CG1-CG2 4Å |
| 151 | K | 98.9 | Very high | 98.4 | Very high | 35 Ų | 35 | 48.8 Ų | 48.8 | 15% | 0.152 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 142.6 | 171.3 | -52.5 | -174.9 | -169.5 | -59.6 | 0 | 111 | W124 Y141 D142 N149 L153 I163 | W124-K151 HydrophobicContact CH2-CD 3.69Å; W124-K151 HydrophobicContact CZ2-CD 3.9Å; Y141-K151 CarbonylContact O-C 3.59Å; Y141-K151 VanDerWaalsContact O-CA 3.26Å; Y141-K151 WeakPolarHBondContact O-CA 3.34Å; D142-K151 HydrophobicContact CB-CG 4.39Å; D142-K151 IonicContact OD1-NZ 3.01Å; D142-K151 PolarHBondContact OD1-NZ 2.84Å; D142-K151 IonicContact OD2-NZ 3.44Å; D142-K151 PolarHBondContact OD2-NZ 2.97Å; N149-K151 WeakPolarHBondContact OD1-CE 3.36Å; N149-K151 WeakPolarHBondContact OD1-CG 3.46Å; N149-K151 PolarHBondContact OD1-NZ 3.23Å; N149-K151 VanDerWaalsContact OD1-NZ 3.07Å; K151-L153 HydrophobicContact CB-CD2 4.33Å; K151-L153 HydrophobicContact CB-CG 4.36Å; K151-I163 HydrophobicContact CB-CB 4.23Å; K151-I163 PolarHBondContact N-O 3.46Å; K151-I163 PolarHBondContact O-N 2.95Å |
| 152 | I | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 117.2 | 162.9 | -58.3 | 175.9 | 0 | 0 | 0 | 107.1 | V140 Y141 N160 I161 L162 Y232 M233 | V140-I152 WeakPolarHBondContact CA-O 3.39Å; V140-I152 HydrophobicContact CB-CB 4.39Å; V140-I152 HydrophobicContact CB-CG2 4.18Å; V140-I152 VanDerWaalsContact CB-O 3.28Å; V140-I152 WeakPolarHBondContact CB-O 3.38Å; V140-I152 HydrophobicContact CG1-CG2 4.46Å; V140-I152 PolarHBondContact N-O 3.02Å; Y141-I152 PolarHBondContact N-O 2.72Å; Y141-I152 PolarHBondContact O-N 3.12Å; I152-N160 HydrophobicContact CG2-CB 3.73Å; I152-I161 VanDerWaalsContact CA-O 3.27Å; I152-I161 WeakPolarHBondContact CA-O 3.5Å; I152-L162 HydrophobicContact CD1-CD1 4.38Å; I152-L162 HydrophobicContact CG1-CD1 3.93Å; I152-Y232 HydrophobicContact CD1-CD2 3.97Å; I152-Y232 HydrophobicContact CD1-CG 4.42Å; I152-M233 HydrophobicContact CD1-CG 4.26Å; I152-M233 HydrophobicContact CG2-SD 4.19Å |
| 153 | L | 98.9 | Very high | 98.5 | Very high | 3 Ų | 3 | 43.8 Ų | 43.8 | 2% | 0.016 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 135.1 | -176.6 | -57.3 | -172.5 | 0 | 0 | 0 | 110 | W124 I136 E138 V139 K151 N160 I161 I163 | W124-L153 HydrophobicContact CZ2-CD1 3.72Å; W124-L153 VanDerWaalsContact NE1-CD1 3.28Å; I136-L153 HydrophobicContact CD1-CB 4Å; I136-L153 HydrophobicContact CG1-CB 4.38Å; I136-L153 HydrophobicContact CG1-CD1 4.4Å; I136-L153 HydrophobicContact CG2-CB 3.82Å; I136-L153 HydrophobicContact CG2-CD1 4.33Å; E138-L153 WeakPolarHBondContact O-CA 3.43Å; V139-L153 HydrophobicContact CB-CD2 4.14Å; V139-L153 HydrophobicContact CG1-CD2 4.01Å; V139-L153 HydrophobicContact CG2-CD2 3.9Å; K151-L153 HydrophobicContact CB-CD2 4.33Å; K151-L153 HydrophobicContact CB-CG 4.36Å; L153-N160 CarbonylContact O-C 3.55Å; L153-N160 WeakPolarHBondContact O-CA 3.17Å; L153-I161 PolarHBondContact N-O 2.86Å; L153-I161 PolarHBondContact O-N 3.44Å; L153-I163 HydrophobicContact CD1-CD1 3.66Å; L153-I163 HydrophobicContact CG-CD1 4.15Å |
| 154 | H | 98.9 | Very high | 98.5 | Very high | 54 Ų | 54 | 39.3 Ų | 39.3 | 25% | 0.25 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 118.8 | 176.1 | -167.8 | 61.2 | 0 | 0 | 0 | 110.4 | I136 D137 E138 V140 N160 | I136-H154 WeakPolarHBondContact CA-O 3.42Å; I136-H154 WeakPolarHBondContact CG2-O 3.3Å; D137-H154 PolarHBondContact N-O 2.52Å; D137-H154 VanDerWaalsContact N-O 3.07Å; D137-H154 IonicContact OD1-CD2 3.84Å; D137-H154 PolarHBondContact OD1-CD2 3.12Å; D137-H154 IonicContact OD1-CG 3.25Å; E138-H154 HydrophobicContact CB-CB 3.82Å; E138-H154 PolarHBondContact O-N 2.95Å; V140-H154 HydrophobicContact CG2-CB 3.92Å; H154-N160 PolarHBondContact ND1-OD1 3.37Å |
| 155 | S | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 137.7 | 165 | 160.2 | 0 | 0 | 0 | 0 | 109.6 | D135 Q157 F158 G159 | D135-S155 PolarHBondContact OD1-OG 3.48Å; D135-S155 PolarHBondContact OD2-OG 3.11Å; S155-Q157 VanDerWaalsContact C-N 3.31Å; S155-Q157 PolarHBondContact O-N 3.24Å; S155-Q157 PolarHBondContact OG-N 3.22Å; S155-F158 WeakPolarHBondContact OG-CB 3.36Å; S155-F158 WeakPolarHBondContact OG-CD2 3.22Å; S155-F158 PolarHBondContact OG-N 2.76Å; S155-G159 WeakPolarHBondContact CB-O 3.09Å; S155-G159 PolarHBondContact N-O 3.33Å; S155-G159 CarbonylContact O-C 3.16Å; S155-G159 VanDerWaalsContact O-CA 3.24Å; S155-G159 WeakPolarHBondContact O-CA 3.48Å; S155-G159 PolarHBondContact O-N 3.01Å |
| 156 | K | 98.6 | Very high | 98.3 | Very high | 145 Ų | 145 | 38.7 Ų | 38.7 | 63% | 0.63 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -38.1 | 178.5 | -59.9 | 176.2 | 179.6 | 178.1 | 0 | 112.3 | D135 D137 | D135-K156 WeakPolarHBondContact OD2-CB 3.1Å; D135-K156 PolarHBondContact OD2-N 3.34Å; D137-K156 WeakPolarHBondContact OD2-CE 3.18Å; D137-K156 WeakPolarHBondContact OD2-CG 3.43Å |
| 157 | Q | 98.4 | Very high | 98.3 | Very high | 124 Ų | 124 | 36.2 Ų | 36.2 | 58% | 0.579 | 19% | 0.187 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.2 | -33 | -178.3 | 74.9 | -168.5 | -52.7 | 0 | 0 | 113.6 | D135 S155 | D135-Q157 PolarHBondContact OD1-NE2 3.07Å; D135-Q157 WeakPolarHBondContact OD2-CB 3.19Å; D135-Q157 WeakPolarHBondContact OD2-CG 3.38Å; D135-Q157 PolarHBondContact OD2-N 3.24Å; D135-Q157 PolarHBondContact OD2-NE2 2.94Å; S155-Q157 VanDerWaalsContact C-N 3.31Å; S155-Q157 PolarHBondContact O-N 3.24Å; S155-Q157 PolarHBondContact OG-N 3.22Å |
| 158 | F | 98.8 | Very high | 98.5 | Very high | 18 Ų | 18 | 32.2 Ų | 32.2 | 8% | 0.079 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.7 | -10.4 | -175.3 | -56 | -53.7 | 0 | 0 | 0 | 113.7 | Y134 S155 I161 A171 S173 P349 L352 | Y134-F158 HydrophobicContact CD1-CD2 4.15Å; Y134-F158 HydrophobicContact CD1-CE2 4.06Å; Y134-F158 HydrophobicContact CE1-CD2 4.38Å; Y134-F158 HydrophobicContact CE1-CE2 4.18Å; S155-F158 WeakPolarHBondContact OG-CB 3.36Å; S155-F158 WeakPolarHBondContact OG-CD2 3.22Å; S155-F158 PolarHBondContact OG-N 2.76Å; F158-I161 HydrophobicContact CB-CD1 4.15Å; F158-I161 HydrophobicContact CB-CG1 4.28Å; F158-I161 HydrophobicContact CD2-CD1 4.11Å; F158-A171 HydrophobicContact CB-CB 3.94Å; F158-S173 WeakPolarHBondContact CB-OG 3.5Å; F158-S173 WeakPolarHBondContact CD1-OG 3.35Å; F158-S173 PolarHBondContact O-N 3.45Å; F158-S173 PolarHBondContact O-OG 3.32Å; F158-P349 HydrophobicContact CD1-CB 4.09Å; F158-P349 HydrophobicContact CE1-CB 3.9Å; F158-P349 WeakPolarHBondContact CE1-O 3.46Å; F158-P349 WeakPolarHBondContact CZ-O 3.42Å; F158-L352 HydrophobicContact CE2-CD2 4.31Å; F158-L352 HydrophobicContact CZ-CD2 4Å |
| 159 | G | 98.8 | Very high | 98.5 | Very high | 7 Ų | 7 | 33 Ų | 33 | 7% | 0.072 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 73.8 | -151 | -169.7 | 0 | 0 | 0 | 0 | 0 | 111 | S155 | S155-G159 WeakPolarHBondContact CB-O 3.09Å; S155-G159 PolarHBondContact N-O 3.33Å; S155-G159 CarbonylContact O-C 3.16Å; S155-G159 VanDerWaalsContact O-CA 3.24Å; S155-G159 WeakPolarHBondContact O-CA 3.48Å; S155-G159 PolarHBondContact O-N 3.01Å |
| 160 | N | 98.9 | Very high | 98.5 | Very high | 20 Ų | 20 | 31.6 Ų | 31.6 | 11% | 0.107 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 134.5 | 177.5 | -72.5 | -6.1 | 0 | 0 | 0 | 110.8 | I152 L153 H154 A171 E172 Y232 M233 | I152-N160 HydrophobicContact CG2-CB 3.73Å; L153-N160 CarbonylContact O-C 3.55Å; L153-N160 WeakPolarHBondContact O-CA 3.17Å; H154-N160 PolarHBondContact ND1-OD1 3.37Å; N160-A171 CarbonylContact O-C 3.57Å; N160-A171 VanDerWaalsContact O-CA 3.26Å; N160-A171 WeakPolarHBondContact O-CA 3.3Å; N160-E172 HydrophobicContact CB-CG 4.14Å; N160-E172 PolarHBondContact N-OE2 3Å; N160-E172 PolarHBondContact O-N 3.49Å; N160-Y232 PolarHBondContact ND2-O 2.97Å; N160-M233 HydrophobicContact CB-SD 3.53Å; N160-M233 VanDerWaalsContact CB-SD 3.53Å; N160-M233 WeakPolarHBondContact O-CE 3.27Å; N160-M233 VanDerWaalsContact O-SD 3.38Å |
| 161 | I | 98.9 | Very high | 98.5 | Very high | 2 Ų | 2 | 31.7 Ų | 31.7 | 1% | 0.01 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 120.4 | -179.7 | -47.8 | -172.7 | 0 | 0 | 0 | 108.5 | Y134 I136 I152 L153 F158 I163 V168 A171 | Y134-I161 HydrophobicContact CD1-CD1 3.92Å; Y134-I161 HydrophobicContact CE1-CD1 4.19Å; I136-I161 HydrophobicContact CD1-CD1 3.96Å; I152-I161 VanDerWaalsContact CA-O 3.27Å; I152-I161 WeakPolarHBondContact CA-O 3.5Å; L153-I161 PolarHBondContact N-O 2.86Å; L153-I161 PolarHBondContact O-N 3.44Å; F158-I161 HydrophobicContact CB-CD1 4.15Å; F158-I161 HydrophobicContact CB-CG1 4.28Å; F158-I161 HydrophobicContact CD2-CD1 4.11Å; I161-I163 HydrophobicContact CG2-CD1 4.5Å; I161-I163 HydrophobicContact CG2-CG1 4.02Å; I161-V168 HydrophobicContact CG2-CG1 3.74Å; I161-A171 HydrophobicContact CB-CB 4.27Å; I161-A171 HydrophobicContact CG1-CB 3.82Å; I161-A171 HydrophobicContact CG2-CB 4.28Å |
| 162 | L | 98.9 | Very high | 98.5 | Very high | 4 Ų | 4 | 31.5 Ų | 31.5 | 2% | 0.021 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 125.3 | 170.2 | 179.8 | 68 | 0 | 0 | 0 | 109.7 | I150 I152 L164 N169 L170 D201 V225 M233 | I150-L162 HydrophobicContact CG2-CD1 4.06Å; I152-L162 HydrophobicContact CD1-CD1 4.38Å; I152-L162 HydrophobicContact CG1-CD1 3.93Å; L162-L164 HydrophobicContact CD1-CD2 3.88Å; L162-L164 HydrophobicContact CD1-CG 4.47Å; L162-L164 HydrophobicContact CD2-CD1 4.43Å; L162-L164 HydrophobicContact CD2-CG 4.42Å; L162-L164 HydrophobicContact CG-CD2 4.17Å; L162-L164 HydrophobicContact CG-CG 4.22Å; L162-N169 HydrophobicContact CD2-CB 4.33Å; L162-N169 HydrophobicContact CG-CB 4.44Å; L162-N169 PolarHBondContact O-N 2.97Å; L162-L170 WeakPolarHBondContact CB-O 3.03Å; L162-L170 PolarHBondContact N-O 3.32Å; L162-L170 PolarHBondContact O-N 3.01Å; L162-D201 HydrophobicContact CD2-CB 4.23Å; L162-V225 HydrophobicContact CD2-CG1 4.33Å; L162-M233 HydrophobicContact CB-CE 4.26Å |
| 163 | I | 98.9 | Very high | 98.5 | Very high | 2 Ų | 2 | 33.4 Ų | 33.4 | 1% | 0.01 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 122.3 | 178 | -53.9 | -179.7 | 0 | 0 | 0 | 108.1 | W124 K151 L153 I161 D167 V168 | W124-I163 HydrophobicContact CD2-CD1 3.69Å; W124-I163 HydrophobicContact CD2-CG2 4.49Å; W124-I163 HydrophobicContact CE3-CD1 4.25Å; W124-I163 HydrophobicContact CE3-CG2 4.02Å; W124-I163 HydrophobicContact CG-CD1 4Å; W124-I163 HydrophobicContact CH2-CG2 4.27Å; W124-I163 HydrophobicContact CZ2-CD1 3.95Å; W124-I163 HydrophobicContact CZ3-CG2 3.93Å; K151-I163 HydrophobicContact CB-CB 4.23Å; K151-I163 PolarHBondContact N-O 3.46Å; K151-I163 PolarHBondContact O-N 2.95Å; L153-I163 HydrophobicContact CD1-CD1 3.66Å; L153-I163 HydrophobicContact CG-CD1 4.15Å; I161-I163 HydrophobicContact CG2-CD1 4.5Å; I161-I163 HydrophobicContact CG2-CG1 4.02Å; I163-D167 CarbonylContact C-O 3.56Å; I163-D167 WeakPolarHBondContact CA-O 3.43Å; I163-D167 VanDerWaalsContact CG2-O 3.25Å; I163-D167 WeakPolarHBondContact CG2-O 3.2Å; I163-V168 HydrophobicContact CD1-CG2 4.32Å; I163-V168 HydrophobicContact CG1-CG2 4.23Å |
| 164 | L | 98.5 | Very high | 98.5 | Very high | 14 Ų | 14 | 33.3 Ų | 33.3 | 7% | 0.073 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 124.1 | -179.1 | -57.8 | -178.4 | 0 | 0 | 0 | 110.2 | N149 I150 L162 G166 D167 N169 V225 T278 | N149-L164 WeakPolarHBondContact O-CA 3.5Å; I150-L164 HydrophobicContact CB-CD2 4.21Å; I150-L164 HydrophobicContact CG1-CD2 3.99Å; I150-L164 HydrophobicContact CG2-CD2 3.89Å; L162-L164 HydrophobicContact CD1-CD2 3.88Å; L162-L164 HydrophobicContact CD1-CG 4.47Å; L162-L164 HydrophobicContact CD2-CD1 4.43Å; L162-L164 HydrophobicContact CD2-CG 4.42Å; L162-L164 HydrophobicContact CG-CD2 4.17Å; L162-L164 HydrophobicContact CG-CG 4.22Å; L164-G166 PolarHBondContact O-N 2.74Å; L164-D167 PolarHBondContact N-O 2.89Å; L164-D167 PolarHBondContact O-N 2.92Å; L164-N169 VanDerWaalsContact CB-OD1 3.22Å; L164-N169 WeakPolarHBondContact CB-OD1 3.29Å; L164-N169 WeakPolarHBondContact CG-OD1 3.4Å; L164-N169 PolarHBondContact N-OD1 2.81Å; L164-V225 HydrophobicContact CD1-CG2 4.45Å; L164-V225 HydrophobicContact CD2-CG2 3.95Å; L164-T278 HydrophobicContact CB-CG2 4.5Å; L164-T278 HydrophobicContact CD1-CG2 3.88Å |
| 165 | S | 97.4 | Very high | 98.5 | Very high | 86 Ų | 86 | 35.7 Ų | 35.7 | 60% | 0.601 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.7 | 28.9 | -176.5 | -57.6 | 0 | 0 | 0 | 0 | 114.4 | Q148 N149 | Q148-S165 WeakPolarHBondContact CB-OG 3.38Å; N149-S165 PolarHBondContact O-N 2.89Å |
| 166 | G | 96.1 | Very high | 98.5 | Very high | 34 Ų | 34 | 37.3 Ų | 37.3 | 35% | 0.351 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 85 | 4.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 116 | L164 | L164-G166 PolarHBondContact O-N 2.74Š|
| 167 | D | 97.8 | Very high | 98.5 | Very high | 65 Ų | 65 | 30.9 Ų | 30.9 | 35% | 0.348 | 18% | 0.183 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 138 | 172.7 | -165.3 | 0.4 | 0 | 0 | 0 | 110.5 | I163 L164 N169 | I163-D167 CarbonylContact C-O 3.56Å; I163-D167 WeakPolarHBondContact CA-O 3.43Å; I163-D167 VanDerWaalsContact CG2-O 3.25Å; I163-D167 WeakPolarHBondContact CG2-O 3.2Å; L164-D167 PolarHBondContact N-O 2.89Å; L164-D167 PolarHBondContact O-N 2.92Å; D167-N169 PolarHBondContact O-N 2.62Å; D167-N169 PolarHBondContact O-OD1 3.36Å |
| 168 | V | 98.6 | Very high | 98.5 | Very high | 16 Ų | 16 | 25.2 Ų | 25.2 | 10% | 0.097 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 107.8 | 179.4 | 175 | 0 | 0 | 0 | 0 | 108.4 | W124 I161 I163 Y351 | W124-V168 HydrophobicContact CB-CG2 4.25Å; I161-V168 HydrophobicContact CG2-CG1 3.74Å; I163-V168 HydrophobicContact CD1-CG2 4.32Å; I163-V168 HydrophobicContact CG1-CG2 4.23Å; V168-Y351 HydrophobicContact CG1-CD1 4.19Å; V168-Y351 HydrophobicContact CG1-CE1 4.31Å; V168-Y351 WeakPolarHBondContact O-CE1 3.35Å |
| 169 | N | 98.5 | Very high | 98.5 | Very high | 31 Ų | 31 | 31.7 Ų | 31.7 | 17% | 0.166 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | -53.1 | -177.4 | -71.6 | 76.5 | 0 | 0 | 0 | 112.1 | L162 L164 D167 Y351 | L162-N169 HydrophobicContact CD2-CB 4.33Å; L162-N169 HydrophobicContact CG-CB 4.44Å; L162-N169 PolarHBondContact O-N 2.97Å; L164-N169 VanDerWaalsContact CB-OD1 3.22Å; L164-N169 WeakPolarHBondContact CB-OD1 3.29Å; L164-N169 WeakPolarHBondContact CG-OD1 3.4Å; L164-N169 PolarHBondContact N-OD1 2.81Å; D167-N169 PolarHBondContact O-N 2.62Å; D167-N169 PolarHBondContact O-OD1 3.36Å; N169-Y351 WeakPolarHBondContact O-CE1 3.38Å; N169-Y351 PolarHBondContact O-OH 2.8Å |
| 170 | L | 98.7 | Very high | 98.5 | Very high | 4 Ų | 4 | 31.5 Ų | 31.5 | 2% | 0.021 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -164.4 | 140.4 | -174.8 | -164 | 73 | 0 | 0 | 0 | 111.9 | L162 D174 Y177 D201 M233 T236 | L162-L170 WeakPolarHBondContact CB-O 3.03Å; L162-L170 PolarHBondContact N-O 3.32Å; L162-L170 PolarHBondContact O-N 3.01Å; L170-D174 HydrophobicContact CD1-CB 3.53Å; L170-D174 HydrophobicContact CG-CB 4.18Å; L170-Y177 HydrophobicContact CD1-CD1 3.6Å; L170-Y177 HydrophobicContact CD1-CD2 4.4Å; L170-Y177 HydrophobicContact CD1-CE1 4.42Å; L170-Y177 HydrophobicContact CD1-CG 3.61Å; L170-D201 HydrophobicContact CD2-CB 4.13Å; L170-D201 WeakPolarHBondContact CD2-OD1 3.34Å; L170-M233 WeakPolarHBondContact O-CE 3.45Å; L170-T236 HydrophobicContact CD2-CG2 3.63Å |
| 171 | A | 98.9 | Very high | 98.5 | Very high | 1 Ų | 1 | 30.6 Ų | 30.6 | 1% | 0.008 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 163.1 | 167.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | F158 N160 I161 S173 D174 | F158-A171 HydrophobicContact CB-CB 3.94Å; N160-A171 CarbonylContact O-C 3.57Å; N160-A171 VanDerWaalsContact O-CA 3.26Å; N160-A171 WeakPolarHBondContact O-CA 3.3Å; I161-A171 HydrophobicContact CB-CB 4.27Å; I161-A171 HydrophobicContact CG1-CB 3.82Å; I161-A171 HydrophobicContact CG2-CB 4.28Å; A171-S173 PolarHBondContact O-N 3.21Å; A171-S173 VanDerWaalsContact O-N 3.1Å; A171-D174 WeakPolarHBondContact CB-OD2 3.09Å; A171-D174 PolarHBondContact N-OD2 3.45Å; A171-D174 WeakPolarHBondContact O-CB 3.44Å; A171-D174 PolarHBondContact O-N 3.37Å |
| 172 | E | 98.8 | Very high | 98.5 | Very high | 32 Ų | 32 | 31.3 Ų | 31.3 | 15% | 0.15 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -20.3 | 172.6 | -69.6 | -168.6 | 131.1 | 0 | 0 | 113.7 | N160 D174 M233 K235 | N160-E172 HydrophobicContact CB-CG 4.14Å; N160-E172 PolarHBondContact N-OE2 3Å; N160-E172 PolarHBondContact O-N 3.49Å; E172-D174 VanDerWaalsContact C-N 3.32Å; E172-M233 HydrophobicContact CG-CE 4.26Å; E172-M233 HydrophobicContact CG-SD 4.17Å; E172-K235 HydrophobicContact CB-CB 4Å; E172-K235 HydrophobicContact CB-CD 4.17Å; E172-K235 HydrophobicContact CG-CB 3.98Å; E172-K235 HydrophobicContact CG-CD 4.48Å; E172-K235 HydrophobicContact CG-CG 4.5Å; E172-K235 WeakPolarHBondContact OE1-CB 3.23Å; E172-K235 WeakPolarHBondContact OE1-CG 3.18Å; E172-K235 PolarHBondContact OE1-N 2.85Å; E172-K235 WeakPolarHBondContact OE2-CD 3.41Å; E172-K235 WeakPolarHBondContact OE2-CE 3.33Å; E172-K235 IonicContact OE2-NZ 2.95Å; E172-K235 PolarHBondContact OE2-NZ 2.69Å |
| 173 | S | 98.7 | Very high | 98.5 | Very high | 39 Ų | 39 | 31.2 Ų | 31.2 | 27% | 0.273 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -13.9 | 173.3 | 54.7 | 0 | 0 | 0 | 0 | 114.7 | F158 A171 L175 | F158-S173 WeakPolarHBondContact CB-OG 3.5Å; F158-S173 WeakPolarHBondContact CD1-OG 3.35Å; F158-S173 PolarHBondContact O-N 3.45Å; F158-S173 PolarHBondContact O-OG 3.32Å; A171-S173 PolarHBondContact O-N 3.21Å; A171-S173 VanDerWaalsContact O-N 3.1Å; S173-L175 VanDerWaalsContact C-N 3.31Å; S173-L175 PolarHBondContact O-N 2.93Å; S173-L175 VanDerWaalsContact O-N 3.13Å |
| 174 | D | 98.8 | Very high | 98.4 | Very high | 2 Ų | 2 | 32.6 Ų | 32.6 | 1% | 0.011 | 19% | 0.186 | C | C | . | . | trans | -95 | 39.2 | -157.4 | -63.5 | -14.9 | 0 | 0 | 0 | 114 | L170 A171 E172 A176 Y177 V348 P349 S350 | L170-D174 HydrophobicContact CD1-CB 3.53Å; L170-D174 HydrophobicContact CG-CB 4.18Å; A171-D174 WeakPolarHBondContact CB-OD2 3.09Å; A171-D174 PolarHBondContact N-OD2 3.45Å; A171-D174 WeakPolarHBondContact O-CB 3.44Å; A171-D174 PolarHBondContact O-N 3.37Å; E172-D174 VanDerWaalsContact C-N 3.32Å; D174-A176 PolarHBondContact O-N 3.19Å; D174-Y177 VanDerWaalsContact O-CB 3.29Å; D174-Y177 WeakPolarHBondContact O-CB 3.43Å; D174-Y177 PolarHBondContact O-N 3.16Å; D174-V348 HydrophobicContact CB-CG1 3.79Å; D174-P349 WeakPolarHBondContact OD1-CD 3.45Å; D174-S350 PolarHBondContact OD1-N 3.03Å; D174-S350 VanDerWaalsContact OD2-CB 3.26Å; D174-S350 WeakPolarHBondContact OD2-CB 3.42Å; D174-S350 PolarHBondContact OD2-OG 3.08Å | ||
| 175 | L | 98.5 | Very high | 98.4 | Very high | 104 Ų | 104 | 35 Ų | 35 | 55% | 0.545 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -54.9 | -24.7 | 171.8 | -176.7 | 62.3 | 0 | 0 | 0 | 112.3 | S173 Y177 T178 R179 E207 | S173-L175 VanDerWaalsContact C-N 3.31Å; S173-L175 PolarHBondContact O-N 2.93Å; S173-L175 VanDerWaalsContact O-N 3.13Å; L175-Y177 VanDerWaalsContact C-N 3.33Å; L175-T178 PolarHBondContact O-N 2.78Å; L175-R179 WeakPolarHBondContact O-CB 3.24Å; L175-R179 PolarHBondContact O-N 2.93Å; L175-E207 HydrophobicContact CD1-CG 4.4Å |
| 176 | A | 98.7 | Very high | 98.4 | Very high | 33 Ų | 33 | 38 Ų | 38 | 27% | 0.273 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -60.7 | -38.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | D174 A180 V346 | D174-A176 PolarHBondContact O-N 3.19Å; A176-A180 VanDerWaalsContact O-CB 3.3Å; A176-A180 WeakPolarHBondContact O-CB 3.44Å; A176-A180 PolarHBondContact O-N 2.92Å; A176-V346 HydrophobicContact CB-CG1 4.42Å |
| 177 | Y | 98.9 | Very high | 98.5 | Very high | 11 Ų | 11 | 37.9 Ų | 37.9 | 4% | 0.043 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62.7 | -56.5 | 174 | 178.7 | -82.9 | 0 | 0 | 0 | 110.3 | L170 D174 L175 R179 A180 I181 D276 Q315 V348 Y351 F357 | L170-Y177 HydrophobicContact CD1-CD1 3.6Å; L170-Y177 HydrophobicContact CD1-CD2 4.4Å; L170-Y177 HydrophobicContact CD1-CE1 4.42Å; L170-Y177 HydrophobicContact CD1-CG 3.61Å; D174-Y177 VanDerWaalsContact O-CB 3.29Å; D174-Y177 WeakPolarHBondContact O-CB 3.43Å; D174-Y177 PolarHBondContact O-N 3.16Å; L175-Y177 VanDerWaalsContact C-N 3.33Å; Y177-R179 VanDerWaalsContact C-N 3.25Å; Y177-R179 PolarHBondContact O-N 2.91Å; Y177-A180 PolarHBondContact O-N 2.61Å; Y177-A180 VanDerWaalsContact O-N 3.08Å; Y177-I181 HydrophobicContact CD1-CG2 4.43Å; Y177-I181 HydrophobicContact CE1-CD1 4.05Å; Y177-I181 HydrophobicContact CE1-CG2 4.25Å; Y177-I181 PolarHBondContact O-N 2.84Å; Y177-D276 VanDerWaalsContact CE1-OD1 3.3Å; Y177-D276 WeakPolarHBondContact CE1-OD1 3.34Å; Y177-D276 VanDerWaalsContact CZ-OD1 3.3Å; Y177-D276 PolarHBondContact OH-OD1 3.24Å; Y177-Q315 HydrophobicContact CE2-CB 3.95Å; Y177-Q315 HydrophobicContact CE2-CG 4.46Å; Y177-Q315 WeakPolarHBondContact OH-CG 3.25Å; Y177-V348 HydrophobicContact CD2-CG2 4.32Å; Y177-Y351 HydrophobicContact CD2-CE2 4.22Å; Y177-Y351 AromaticContact CD2-CZ 3.87Å; Y177-Y351 VanDerWaalsContact CD2-OH 3.27Å; Y177-Y351 WeakPolarHBondContact CD2-OH 3.27Å; Y177-Y351 HydrophobicContact CE2-CE2 4.44Å; Y177-Y351 WeakPolarHBondContact CE2-OH 3.48Å; Y177-F357 AromaticContact CD2-CE1 3.94Å; Y177-F357 HydrophobicContact CD2-CE1 3.94Å; Y177-F357 AromaticContact CD2-CZ 3.47Å; Y177-F357 HydrophobicContact CD2-CZ 3.47Å; Y177-F357 VanDerWaalsContact CD2-CZ 3.47Å; Y177-F357 AromaticContact CE2-CE1 3.85Å; Y177-F357 HydrophobicContact CE2-CE1 3.85Å; Y177-F357 AromaticContact CE2-CZ 3.74Å; Y177-F357 HydrophobicContact CE2-CZ 3.74Å; Y177-F357 HydrophobicContact CG-CE1 4.41Å; Y177-F357 HydrophobicContact CG-CZ 4.1Å |
| 178 | T | 98.7 | Very high | 98.6 | Very high | 5 Ų | 5 | 39.5 Ų | 39.5 | 3% | 0.031 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -57.7 | -40.8 | -179.2 | -48.4 | 0 | 0 | 0 | 0 | 111.1 | L175 I181 M182 I204 E207 | L175-T178 PolarHBondContact O-N 2.78Å; T178-I181 WeakPolarHBondContact O-CG2 3.49Å; T178-M182 HydrophobicContact CG2-SD 3.83Å; T178-M182 WeakPolarHBondContact O-CB 3.28Å; T178-M182 WeakPolarHBondContact O-CG 3.26Å; T178-M182 PolarHBondContact O-N 2.9Å; T178-I204 HydrophobicContact CG2-CG1 4.12Å; T178-E207 HydrophobicContact CG2-CB 4.32Å; T178-E207 HydrophobicContact CG2-CG 3.9Å |
| 179 | R | 98.8 | Very high | 98.6 | Very high | 154 Ų | 154 | 39 Ų | 39 | 58% | 0.581 | 21% | 0.212 | S | C | * | . | H | α-helix | trans | -64.9 | -44.9 | 176.7 | 178.1 | 173.9 | 178.3 | 158 | 3.2 | 112.4 | L175 Y177 M182 S184 | L175-R179 WeakPolarHBondContact O-CB 3.24Å; L175-R179 PolarHBondContact O-N 2.93Å; Y177-R179 VanDerWaalsContact C-N 3.25Å; Y177-R179 PolarHBondContact O-N 2.91Å; R179-M182 PolarHBondContact O-N 3.09Å; R179-S184 VanDerWaalsContact O-CA 3.27Å; R179-S184 WeakPolarHBondContact O-CA 3.49Å; R179-S184 PolarHBondContact O-N 2.88Å |
| 180 | A | 98.8 | Very high | 98.6 | Very high | 3 Ų | 3 | 41.5 Ų | 41.5 | 3% | 0.025 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -65.1 | -47.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | A176 Y177 M182 G183 V346 F357 | A176-A180 VanDerWaalsContact O-CB 3.3Å; A176-A180 WeakPolarHBondContact O-CB 3.44Å; A176-A180 PolarHBondContact O-N 2.92Å; Y177-A180 PolarHBondContact O-N 2.61Å; Y177-A180 VanDerWaalsContact O-N 3.08Å; A180-M182 PolarHBondContact O-N 3.39Å; A180-M182 VanDerWaalsContact O-N 3.16Å; A180-G183 PolarHBondContact O-N 3.47Å; A180-V346 HydrophobicContact CB-CB 4.4Å; A180-V346 HydrophobicContact CB-CG1 4.12Å; A180-V346 HydrophobicContact CB-CG2 3.73Å; A180-F357 HydrophobicContact CB-CD1 3.96Å; A180-F357 HydrophobicContact CB-CD2 3.89Å; A180-F357 HydrophobicContact CB-CE1 4.1Å; A180-F357 HydrophobicContact CB-CE2 4.03Å; A180-F357 HydrophobicContact CB-CG 3.85Å; A180-F357 HydrophobicContact CB-CZ 4.12Å |
| 181 | I | 98.8 | Very high | 98.6 | Very high | 1 Ų | 1 | 43.4 Ų | 43.4 | 1% | 0.005 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -69.3 | -12.7 | 179.8 | -149.3 | 173.7 | 0 | 0 | 0 | 113 | Y177 T178 I204 I274 D276 F313 Q315 F357 | Y177-I181 HydrophobicContact CD1-CG2 4.43Å; Y177-I181 HydrophobicContact CE1-CD1 4.05Å; Y177-I181 HydrophobicContact CE1-CG2 4.25Å; Y177-I181 PolarHBondContact O-N 2.84Å; T178-I181 WeakPolarHBondContact O-CG2 3.49Å; I181-I204 HydrophobicContact CD1-CD1 4.31Å; I181-I204 HydrophobicContact CG2-CD1 3.51Å; I181-I204 HydrophobicContact CG2-CG1 3.83Å; I181-I274 HydrophobicContact CD1-CG2 4.17Å; I181-I274 HydrophobicContact CG1-CG2 3.85Å; I181-I274 HydrophobicContact CG2-CG2 4.38Å; I181-D276 HydrophobicContact CD1-CB 4.08Å; I181-F313 WeakPolarHBondContact O-CB 3.33Å; I181-F313 WeakPolarHBondContact O-CG 3.41Å; I181-Q315 HydrophobicContact CD1-CB 4.37Å; I181-F357 HydrophobicContact CB-CD1 4.03Å; I181-F357 HydrophobicContact CB-CE1 3.9Å; I181-F357 HydrophobicContact CG1-CD1 4.24Å; I181-F357 HydrophobicContact CG1-CE1 4.29Å |
| 182 | M | 98.8 | Very high | 98.6 | Very high | 17 Ų | 17 | 46 Ų | 46 | 8% | 0.084 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.9 | 14 | 169.6 | -69.7 | 173.4 | 53.4 | 0 | 0 | 113.6 | T178 R179 A180 Y189 I204 E207 I208 L211 I274 | T178-M182 HydrophobicContact CG2-SD 3.83Å; T178-M182 WeakPolarHBondContact O-CB 3.28Å; T178-M182 WeakPolarHBondContact O-CG 3.26Å; T178-M182 PolarHBondContact O-N 2.9Å; R179-M182 PolarHBondContact O-N 3.09Å; A180-M182 PolarHBondContact O-N 3.39Å; A180-M182 VanDerWaalsContact O-N 3.16Å; M182-Y189 WeakPolarHBondContact CA-OH 3.45Å; M182-Y189 HydrophobicContact CB-CE2 4.25Å; M182-Y189 HydrophobicContact CE-CD2 4.42Å; M182-Y189 HydrophobicContact CE-CE2 4.01Å; M182-Y189 PolarHBondContact O-OH 3.43Å; M182-I204 HydrophobicContact CG-CG2 4.04Å; M182-I204 HydrophobicContact SD-CG2 4.27Å; M182-E207 HydrophobicContact CE-CB 3.91Å; M182-E207 HydrophobicContact SD-CB 3.73Å; M182-I208 HydrophobicContact CE-CD1 4.36Å; M182-I208 HydrophobicContact CE-CG1 3.47Å; M182-I208 VanDerWaalsContact CE-CG1 3.47Å; M182-I208 HydrophobicContact CG-CD1 4.41Å; M182-I208 HydrophobicContact CG-CG1 4.44Å; M182-I208 HydrophobicContact SD-CG1 3.98Å; M182-L211 HydrophobicContact CE-CD1 4.1Å; M182-I274 HydrophobicContact CG-CD1 4.35Å |
| 183 | G | 98.4 | Very high | 98.6 | Very high | 2 Ų | 2 | 45.6 Ų | 45.6 | 2% | 0.021 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 82.3 | 23.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | A180 G185 K186 F313 | A180-G183 PolarHBondContact O-N 3.47Å; G183-G185 PolarHBondContact O-N 3.33Å; G183-G185 VanDerWaalsContact O-N 3.08Å; G183-K186 WeakPolarHBondContact O-CB 3.39Å; G183-K186 WeakPolarHBondContact O-CG 3.27Å; G183-K186 PolarHBondContact O-N 3.37Å; G183-F313 VanDerWaalsContact CA-CE1 3.47Å |
| 184 | S | 98 | Very high | 98.6 | Very high | 30 Ų | 30 | 43.8 Ų | 43.8 | 21% | 0.21 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.4 | 25.2 | 169.4 | -85.9 | 0 | 0 | 0 | 0 | 115.6 | R179 E344 | R179-S184 VanDerWaalsContact O-CA 3.27Å; R179-S184 WeakPolarHBondContact O-CA 3.49Å; R179-S184 PolarHBondContact O-N 2.88Å; S184-E344 PolarHBondContact OG-OE1 3.45Å; S184-E344 PolarHBondContact OG-OE2 2.96Å |
| 185 | G | 97.4 | Very high | 98.6 | Very high | 65 Ų | 65 | 43.7 Ų | 43.7 | 67% | 0.67 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 82.1 | 14.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | G183 | G183-G185 PolarHBondContact O-N 3.33Å; G183-G185 VanDerWaalsContact O-N 3.08Å |
| 186 | K | 98.2 | Very high | 98.6 | Very high | 149 Ų | 149 | 38.8 Ų | 38.8 | 65% | 0.648 | 22% | 0.221 | S | C | * | . | trans | -86.4 | -15.5 | 176.4 | -61.5 | 167.6 | -173.1 | 154.9 | 0 | 113 | G183 E344 | G183-K186 WeakPolarHBondContact O-CB 3.39Å; G183-K186 WeakPolarHBondContact O-CG 3.27Å; G183-K186 PolarHBondContact O-N 3.37Å; K186-E344 IonicContact NZ-OE2 2.86Å | ||
| 187 | E | 98.5 | Very high | 98.6 | Very high | 31 Ų | 31 | 37.2 Ų | 37.2 | 15% | 0.145 | 21% | 0.208 | C | C | . | . | trans | -99.4 | 148 | -175.1 | -53.4 | -47.5 | 132.8 | 0 | 0 | 112.2 | Y189 Y272 K311 F313 | E187-Y189 HydrophobicContact CB-CD2 4.35Å; E187-Y189 HydrophobicContact CB-CE2 3.88Å; E187-Y272 HydrophobicContact CB-CE1 4.22Å; E187-Y272 HydrophobicContact CG-CE1 3.91Å; E187-Y272 WeakPolarHBondContact OE2-CE1 3.37Å; E187-Y272 PolarHBondContact OE2-OH 2.84Å; E187-K311 IonicContact OE1-NZ 2.79Å; E187-K311 PolarHBondContact OE1-NZ 3.22Å; E187-K311 IonicContact OE2-NZ 2.88Å; E187-K311 PolarHBondContact OE2-NZ 3.37Å; E187-F313 HydrophobicContact CG-CE2 3.97Å; E187-F313 HydrophobicContact CG-CZ 3.57Å | ||
| 188 | D | 98.4 | Very high | 98.6 | Very high | 100 Ų | 100 | 36.8 Ų | 36.8 | 54% | 0.535 | 21% | 0.207 | S | C | . | . | trans | -105.5 | 111.8 | 168.3 | -179.1 | 9.8 | 0 | 0 | 0 | 109.2 | T190 K192 | D188-T190 WeakPolarHBondContact OD1-CB 3.25Å; D188-T190 PolarHBondContact OD1-N 2.93Å; D188-T190 PolarHBondContact OD1-OG1 3Å; D188-K192 WeakPolarHBondContact O-CE 3.44Å; D188-K192 VanDerWaalsContact O-CG 3.27Å; D188-K192 WeakPolarHBondContact O-CG 3.19Å | ||
| 189 | Y | 98.8 | Very high | 98.6 | Very high | 5 Ų | 5 | 36.8 Ų | 36.8 | 2% | 0.02 | 21% | 0.208 | C | C | . | . | trans | -85.8 | -5.5 | 179.7 | -73 | -81.5 | 0 | 0 | 0 | 113.5 | M182 E187 G191 K192 V194 I208 L211 P213 Y272 I274 | M182-Y189 WeakPolarHBondContact CA-OH 3.45Å; M182-Y189 HydrophobicContact CB-CE2 4.25Å; M182-Y189 HydrophobicContact CE-CD2 4.42Å; M182-Y189 HydrophobicContact CE-CE2 4.01Å; M182-Y189 PolarHBondContact O-OH 3.43Å; E187-Y189 HydrophobicContact CB-CD2 4.35Å; E187-Y189 HydrophobicContact CB-CE2 3.88Å; Y189-G191 PolarHBondContact O-N 2.96Å; Y189-K192 WeakPolarHBondContact O-CB 3.47Å; Y189-K192 PolarHBondContact O-N 3.27Å; Y189-K192 VanDerWaalsContact O-N 3.14Å; Y189-V194 HydrophobicContact CD1-CG2 3.8Å; Y189-V194 HydrophobicContact CE1-CG2 4.11Å; Y189-I208 HydrophobicContact CD1-CD1 4.11Å; Y189-I208 HydrophobicContact CD1-CG1 4.26Å; Y189-I208 HydrophobicContact CD1-CG2 4.07Å; Y189-I208 HydrophobicContact CE1-CD1 3.74Å; Y189-I208 HydrophobicContact CE1-CG1 4.23Å; Y189-I208 HydrophobicContact CG-CG2 4.35Å; Y189-L211 HydrophobicContact CD2-CD1 3.63Å; Y189-L211 HydrophobicContact CG-CD1 4.16Å; Y189-P213 WeakPolarHBondContact O-CA 3.35Å; Y189-Y272 AromaticContact CD1-CD2 3.81Å; Y189-Y272 HydrophobicContact CD1-CD2 3.81Å; Y189-Y272 HydrophobicContact CD1-CE2 4.12Å; Y189-Y272 AromaticContact CE1-CD2 3.64Å; Y189-Y272 HydrophobicContact CE1-CD2 3.64Å; Y189-Y272 HydrophobicContact CE1-CE2 4.13Å; Y189-Y272 AromaticContact CE1-CG 3.98Å; Y189-Y272 HydrophobicContact CE1-CG 3.98Å; Y189-I274 HydrophobicContact CE1-CD1 4.49Å | ||
| 190 | T | 98.8 | Very high | 98.6 | Very high | 83 Ų | 83 | 29.6 Ų | 29.6 | 51% | 0.509 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | 121.1 | -177.9 | -51.5 | 0 | 0 | 0 | 0 | 110.9 | D188 K192 L211 | D188-T190 WeakPolarHBondContact OD1-CB 3.25Å; D188-T190 PolarHBondContact OD1-N 2.93Å; D188-T190 PolarHBondContact OD1-OG1 3Å; T190-K192 PolarHBondContact O-N 3.24Å; T190-L211 WeakPolarHBondContact CA-O 3.26Å |
| 191 | G | 98.7 | Very high | 98.6 | Very high | 45 Ų | 45 | 30 Ų | 30 | 46% | 0.464 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 68 | 16.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y189 K212 K214 | Y189-G191 PolarHBondContact O-N 2.96Å; G191-K212 PolarHBondContact N-O 3.22Å; G191-K214 WeakPolarHBondContact O-CB 3.45Å |
| 192 | K | 98.9 | Very high | 98.5 | Very high | 56 Ų | 56 | 30 Ų | 30 | 24% | 0.243 | 18% | 0.183 | C | C | . | . | trans | -91.7 | 149.4 | -179.5 | -60.8 | -69.9 | -172.8 | 153.4 | 0 | 112.7 | D188 Y189 T190 V194 K214 M215 D271 Y272 | D188-K192 WeakPolarHBondContact O-CE 3.44Å; D188-K192 VanDerWaalsContact O-CG 3.27Å; D188-K192 WeakPolarHBondContact O-CG 3.19Å; Y189-K192 WeakPolarHBondContact O-CB 3.47Å; Y189-K192 PolarHBondContact O-N 3.27Å; Y189-K192 VanDerWaalsContact O-N 3.14Å; T190-K192 PolarHBondContact O-N 3.24Å; K192-V194 HydrophobicContact CB-CG2 4.44Å; K192-K214 PolarHBondContact O-N 2.85Å; K192-M215 PolarHBondContact O-N 2.88Å; K192-D271 HydrophobicContact CB-CB 4.07Å; K192-D271 HydrophobicContact CD-CB 3.71Å; K192-D271 VanDerWaalsContact CD-CG 3.44Å; K192-D271 HydrophobicContact CG-CB 4.39Å; K192-D271 IonicContact NZ-OD1 2.79Å; K192-Y272 HydrophobicContact CB-CD2 4.25Å; K192-Y272 HydrophobicContact CB-CE2 4.3Å; K192-Y272 HydrophobicContact CD-CE2 4.22Å; K192-Y272 HydrophobicContact CG-CD2 4.41Å; K192-Y272 HydrophobicContact CG-CE2 3.96Å | ||
| 193 | D | 98.9 | Very high | 98.5 | Very high | 23 Ų | 23 | 29.2 Ų | 29.2 | 12% | 0.123 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 120.6 | 168.8 | -68.8 | -55.6 | 0 | 0 | 0 | 108.9 | K214 M215 F270 D271 Y272 | D193-K214 WeakPolarHBondContact OD1-CD 3.42Å; D193-K214 IonicContact OD1-NZ 2.8Å; D193-K214 IonicContact OD2-NZ 3.93Å; D193-K214 PolarHBondContact OD2-NZ 3.07Å; D193-M215 CarbonylContact C-O 3.52Å; D193-M215 WeakPolarHBondContact CA-O 3.45Å; D193-F270 HydrophobicContact CB-CD1 4.23Å; D193-D271 PolarHBondContact N-OD2 3.01Å; D193-D271 PolarHBondContact O-N 3.14Å; D193-Y272 PolarHBondContact O-N 2.82Å |
| 194 | V | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 136.8 | -174.9 | -173.9 | 0 | 0 | 0 | 0 | 110.7 | Y189 K192 I196 I208 M215 V216 T217 Y272 I274 | Y189-V194 HydrophobicContact CD1-CG2 3.8Å; Y189-V194 HydrophobicContact CE1-CG2 4.11Å; K192-V194 HydrophobicContact CB-CG2 4.44Å; V194-I196 HydrophobicContact CG1-CG1 4.3Å; V194-I208 HydrophobicContact CG1-CD1 3.97Å; V194-I208 HydrophobicContact CG2-CG2 4.29Å; V194-M215 PolarHBondContact N-O 2.75Å; V194-V216 HydrophobicContact CB-CG1 4.32Å; V194-V216 HydrophobicContact CB-CG2 4.4Å; V194-V216 HydrophobicContact CG1-CG1 4.49Å; V194-V216 WeakPolarHBondContact O-CA 3.42Å; V194-T217 PolarHBondContact O-N 2.9Å; V194-Y272 WeakPolarHBondContact CA-O 3.41Å; V194-Y272 HydrophobicContact CG2-CD2 4.33Å; V194-I274 HydrophobicContact CG1-CD1 4.14Å; V194-I274 HydrophobicContact CG1-CG1 4.44Å |
| 195 | L | 98.9 | Very high | 98.6 | Very high | 1 Ų | 1 | 27.8 Ų | 27.8 | 1% | 0.005 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 128.9 | 169.3 | 179.3 | 62.6 | 0 | 0 | 0 | 109.6 | L197 T217 V219 L260 Y263 F270 Y272 V273 I274 V305 | L195-L197 HydrophobicContact CD1-CD2 4.21Å; L195-L197 HydrophobicContact CD2-CD2 3.89Å; L195-L197 HydrophobicContact CG-CD2 3.83Å; L195-T217 CarbonylContact C-O 3.55Å; L195-T217 WeakPolarHBondContact CA-O 3.24Å; L195-T217 HydrophobicContact CD1-CG2 4.21Å; L195-T217 WeakPolarHBondContact CD1-O 3.47Å; L195-V219 HydrophobicContact CD1-CG2 3.96Å; L195-L260 HydrophobicContact CD2-CD2 3.72Å; L195-Y263 HydrophobicContact CD1-CE2 4.15Å; L195-Y263 HydrophobicContact CD2-CD2 4.5Å; L195-F270 HydrophobicContact CB-CB 4.43Å; L195-F270 HydrophobicContact CB-CD1 3.8Å; L195-F270 HydrophobicContact CB-CD2 3.97Å; L195-F270 HydrophobicContact CB-CE1 3.93Å; L195-F270 HydrophobicContact CB-CE2 4.13Å; L195-F270 HydrophobicContact CB-CG 3.81Å; L195-F270 HydrophobicContact CB-CZ 4.09Å; L195-F270 HydrophobicContact CD1-CZ 4.27Å; L195-F270 HydrophobicContact CD2-CD2 4.12Å; L195-F270 HydrophobicContact CD2-CE2 3.91Å; L195-F270 HydrophobicContact CD2-CZ 4.35Å; L195-F270 HydrophobicContact CG-CE2 4.46Å; L195-F270 HydrophobicContact CG-CZ 4.48Å; L195-Y272 PolarHBondContact N-O 2.68Å; L195-V273 HydrophobicContact CB-CG2 4.29Å; L195-V273 HydrophobicContact CD2-CG1 4.32Å; L195-V273 HydrophobicContact CD2-CG2 4.44Å; L195-V273 CarbonylContact O-C 3.53Å; L195-V273 WeakPolarHBondContact O-CA 3.13Å; L195-I274 PolarHBondContact O-N 3.39Å; L195-V305 HydrophobicContact CD2-CG2 3.96Å |
| 196 | I | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 128.5 | 172.3 | -55.6 | 167.2 | 0 | 0 | 0 | 107.7 | V194 I204 L205 V216 T217 M218 V219 I274 | V194-I196 HydrophobicContact CG1-CG1 4.3Å; I196-I204 HydrophobicContact CD1-CB 4.08Å; I196-I204 HydrophobicContact CD1-CG2 3.6Å; I196-I204 HydrophobicContact CG1-CG2 4.09Å; I196-L205 HydrophobicContact CD1-CB 4.22Å; I196-V216 HydrophobicContact CD1-CG1 3.55Å; I196-V216 HydrophobicContact CG1-CG1 4.13Å; I196-T217 PolarHBondContact N-O 2.96Å; I196-M218 HydrophobicContact CB-CB 4.24Å; I196-M218 HydrophobicContact CB-CG 4.09Å; I196-M218 HydrophobicContact CG2-CG 4.11Å; I196-M218 CarbonylContact O-C 3.56Å; I196-M218 WeakPolarHBondContact O-CA 3.4Å; I196-V219 PolarHBondContact O-N 2.88Å; I196-I274 CarbonylContact C-O 3.47Å; I196-I274 WeakPolarHBondContact CA-O 3.36Å; I196-I274 HydrophobicContact CG1-CB 4.46Å |
| 197 | L | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 123.8 | 174.2 | -45.4 | 176.5 | 0 | 0 | 0 | 108 | L195 C256 L260 V273 I274 N275 D276 L277 I298 | L195-L197 HydrophobicContact CD1-CD2 4.21Å; L195-L197 HydrophobicContact CD2-CD2 3.89Å; L195-L197 HydrophobicContact CG-CD2 3.83Å; L197-C256 HydrophobicContact CB-CB 4.44Å; L197-C256 HydrophobicContact CD2-CB 4.09Å; L197-L260 HydrophobicContact CD1-CD1 3.94Å; L197-L260 HydrophobicContact CD2-CD1 4.18Å; L197-L260 HydrophobicContact CD2-CD2 4.06Å; L197-L260 HydrophobicContact CD2-CG 4.12Å; L197-V273 HydrophobicContact CD1-CG1 4.4Å; L197-I274 PolarHBondContact N-O 2.89Å; L197-N275 HydrophobicContact CD1-CB 4.31Å; L197-D276 CarbonylContact O-C 3.5Å; L197-D276 VanDerWaalsContact O-CA 3.29Å; L197-D276 WeakPolarHBondContact O-CA 3.16Å; L197-D276 PolarHBondContact O-N 2.82Å; L197-L277 HydrophobicContact CB-CD1 4.32Å; L197-L277 HydrophobicContact CB-CD2 4.26Å; L197-L277 HydrophobicContact CB-CG 4.09Å; L197-L277 PolarHBondContact O-N 3.5Å; L197-I298 HydrophobicContact CD1-CG2 4.16Å |
| 198 | G | 98.6 | Very high | 98.7 | Very high | 3 Ų | 3 | 21.8 Ų | 21.8 | 3% | 0.031 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 73.4 | -135.6 | -168.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | M218 V219 E220 | G198-M218 WeakPolarHBondContact O-CG 3.48Å; G198-V219 PolarHBondContact N-O 2.95Å; G198-E220 WeakPolarHBondContact CA-OE2 3.26Å |
| 199 | G | 97.9 | Very high | 98.7 | Very high | 4 Ų | 4 | 18.7 Ų | 18.7 | 4% | 0.041 | 11% | 0.109 | C | C | . | . | trans | 66.8 | 34.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | D201 G202 M218 D276 | G199-D201 PolarHBondContact O-N 3.1Å; G199-D201 VanDerWaalsContact O-N 3.09Å; G199-G202 PolarHBondContact O-N 2.89Å; G199-M218 VanDerWaalsContact O-SD 3.32Å; G199-D276 WeakPolarHBondContact CA-OD2 3.23Å; G199-D276 PolarHBondContact N-O 3.05Å; G199-D276 VanDerWaalsContact N-O 3.12Å | ||
| 200 | G | 98.4 | Very high | 98.7 | Very high | 4 Ų | 4 | 23 Ų | 23 | 4% | 0.041 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -15.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | G202 E220 | G200-G202 PolarHBondContact O-N 2.86Å; G200-E220 WeakPolarHBondContact CA-OE2 3.35Å; G200-E220 PolarHBondContact N-OE2 2.61Å; G200-E220 VanDerWaalsContact N-OE2 3.15Å |
| 201 | D | 98.6 | Very high | 98.7 | Very high | 11 Ų | 11 | 22.6 Ų | 22.6 | 6% | 0.059 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -23.1 | 169.5 | 69.2 | 98.5 | 0 | 0 | 0 | 112.6 | L162 L170 G199 G203 T236 C237 | L162-D201 HydrophobicContact CD2-CB 4.23Å; L170-D201 HydrophobicContact CD2-CB 4.13Å; L170-D201 WeakPolarHBondContact CD2-OD1 3.34Å; G199-D201 PolarHBondContact O-N 3.1Å; G199-D201 VanDerWaalsContact O-N 3.09Å; D201-G203 VanDerWaalsContact C-N 3.34Å; D201-G203 PolarHBondContact O-N 3.46Å; D201-G203 WeakPolarHBondContact OD1-CA 3.49Å; D201-G203 PolarHBondContact OD1-N 3.27Å; D201-T236 HydrophobicContact CB-CG2 4.38Å; D201-T236 VanDerWaalsContact OD1-CG2 3.26Å; D201-T236 WeakPolarHBondContact OD1-CG2 2.96Å; D201-C237 WeakPolarHBondContact O-CB 3.47Å |
| 202 | G | 98.6 | Very high | 98.7 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 13% | 0.133 | C | C | . | . | trans | 79.4 | 2.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | G199 G200 L205 Y206 | G199-G202 PolarHBondContact O-N 2.89Å; G200-G202 PolarHBondContact O-N 2.86Å; G202-L205 PolarHBondContact O-N 2.51Å; G202-Y206 VanDerWaalsContact O-CB 3.3Å; G202-Y206 WeakPolarHBondContact O-CB 3.43Å; G202-Y206 PolarHBondContact O-N 3.06Å | ||
| 203 | G | 98.6 | Very high | 98.7 | Very high | 2 Ų | 2 | 25.9 Ų | 25.9 | 2% | 0.021 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -63.2 | -46.6 | -177 | 0 | 0 | 0 | 0 | 0 | 113.4 | D201 L205 Y206 E207 | D201-G203 VanDerWaalsContact C-N 3.34Å; D201-G203 PolarHBondContact O-N 3.46Å; D201-G203 WeakPolarHBondContact OD1-CA 3.49Å; D201-G203 PolarHBondContact OD1-N 3.27Å; G203-L205 PolarHBondContact O-N 2.81Å; G203-Y206 PolarHBondContact O-N 2.96Å; G203-E207 PolarHBondContact O-N 3.47Å |
| 204 | I | 98.8 | Very high | 98.7 | Very high | 2 Ų | 2 | 30.9 Ų | 30.9 | 1% | 0.01 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -62.5 | -45.7 | 177.7 | -57.6 | 172.6 | 0 | 0 | 0 | 110.4 | T178 I181 M182 I196 Y206 E207 I208 I274 D276 | T178-I204 HydrophobicContact CG2-CG1 4.12Å; I181-I204 HydrophobicContact CD1-CD1 4.31Å; I181-I204 HydrophobicContact CG2-CD1 3.51Å; I181-I204 HydrophobicContact CG2-CG1 3.83Å; M182-I204 HydrophobicContact CG-CG2 4.04Å; M182-I204 HydrophobicContact SD-CG2 4.27Å; I196-I204 HydrophobicContact CD1-CB 4.08Å; I196-I204 HydrophobicContact CD1-CG2 3.6Å; I196-I204 HydrophobicContact CG1-CG2 4.09Å; I204-Y206 PolarHBondContact O-N 2.98Å; I204-E207 PolarHBondContact O-N 2.86Å; I204-I208 HydrophobicContact CG2-CD1 3.68Å; I204-I208 HydrophobicContact CG2-CG1 4.31Å; I204-I208 WeakPolarHBondContact O-CB 3.45Å; I204-I208 WeakPolarHBondContact O-CG1 3.45Å; I204-I208 PolarHBondContact O-N 2.86Å; I204-I274 HydrophobicContact CD1-CG2 3.9Å; I204-I274 HydrophobicContact CG2-CD1 3.8Å; I204-D276 HydrophobicContact CD1-CB 3.65Å; I204-D276 VanDerWaalsContact CD1-CG 3.48Å; I204-D276 WeakPolarHBondContact CD1-OD2 3.34Å |
| 205 | L | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -59.6 | -47.3 | 177.6 | 174.7 | 61.5 | 0 | 0 | 0 | 111.1 | I196 G202 G203 E207 I208 V209 V216 M218 V240 L241 Y249 V251 | I196-L205 HydrophobicContact CD1-CB 4.22Å; G202-L205 PolarHBondContact O-N 2.51Å; G203-L205 PolarHBondContact O-N 2.81Å; L205-E207 PolarHBondContact O-N 3.13Å; L205-I208 PolarHBondContact O-N 3.25Å; L205-V209 HydrophobicContact CD1-CG2 3.87Å; L205-V209 HydrophobicContact CG-CG2 4.48Å; L205-V209 WeakPolarHBondContact O-CB 3.4Å; L205-V209 VanDerWaalsContact O-CG2 3.25Å; L205-V209 WeakPolarHBondContact O-CG2 3.4Å; L205-V209 PolarHBondContact O-N 3.01Å; L205-V216 HydrophobicContact CD1-CB 3.9Å; L205-V216 HydrophobicContact CD1-CG1 3.65Å; L205-M218 HydrophobicContact CB-SD 3.94Å; L205-M218 HydrophobicContact CD2-CE 4.46Å; L205-M218 HydrophobicContact CD2-SD 3.94Å; L205-V240 HydrophobicContact CB-CG1 4.47Å; L205-V240 HydrophobicContact CD2-CG1 3.98Å; L205-V240 HydrophobicContact CD2-CG2 4.05Å; L205-V240 HydrophobicContact CG-CG1 4.04Å; L205-V240 HydrophobicContact CG-CG2 3.85Å; L205-L241 HydrophobicContact CD2-CD2 4.27Å; L205-Y249 HydrophobicContact CD1-CD2 4.12Å; L205-Y249 HydrophobicContact CD1-CG 4.02Å; L205-Y249 HydrophobicContact CD2-CD2 4.08Å; L205-Y249 HydrophobicContact CD2-CE2 4.5Å; L205-V251 HydrophobicContact CD2-CG2 3.74Å |
| 206 | Y | 98.7 | Very high | 98.7 | Very high | 63 Ų | 63 | 33.3 Ų | 33.3 | 25% | 0.247 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -61.2 | -43.8 | -179.9 | -179.5 | -126.2 | 0 | 0 | 0 | 112.3 | G202 G203 I204 K210 T236 C237 V240 | G202-Y206 VanDerWaalsContact O-CB 3.3Å; G202-Y206 WeakPolarHBondContact O-CB 3.43Å; G202-Y206 PolarHBondContact O-N 3.06Å; G203-Y206 PolarHBondContact O-N 2.96Å; I204-Y206 PolarHBondContact O-N 2.98Å; Y206-K210 VanDerWaalsContact CD1-NZ 3.34Å; Y206-K210 VanDerWaalsContact CE1-CE 3.43Å; Y206-K210 WeakPolarHBondContact O-CE 3.41Å; Y206-K210 WeakPolarHBondContact O-CG 3.32Å; Y206-T236 WeakPolarHBondContact CD1-O 3.36Å; Y206-C237 WeakPolarHBondContact CD2-O 3.41Å; Y206-V240 HydrophobicContact CD2-CB 4.13Å |
| 207 | E | 98.7 | Very high | 98.7 | Very high | 55 Ų | 55 | 33.3 Ų | 33.3 | 26% | 0.257 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -69.1 | -44.4 | 177.9 | -71.8 | -55.5 | 130.9 | 0 | 0 | 112.3 | L175 T178 M182 G203 I204 L205 V209 K210 | L175-E207 HydrophobicContact CD1-CG 4.4Å; T178-E207 HydrophobicContact CG2-CB 4.32Å; T178-E207 HydrophobicContact CG2-CG 3.9Å; M182-E207 HydrophobicContact CE-CB 3.91Å; M182-E207 HydrophobicContact SD-CB 3.73Å; G203-E207 PolarHBondContact O-N 3.47Å; I204-E207 PolarHBondContact O-N 2.86Å; L205-E207 PolarHBondContact O-N 3.13Å; E207-V209 PolarHBondContact O-N 2.97Å; E207-K210 WeakPolarHBondContact O-CB 3.45Å; E207-K210 PolarHBondContact O-N 2.99Å; E207-K210 IonicContact OE1-NZ 3.31Å; E207-K210 PolarHBondContact OE1-NZ 3.06Å; E207-K210 IonicContact OE2-NZ 3.91Å |
| 208 | I | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -66.4 | -39.7 | -178.7 | -67.2 | 178.7 | 0 | 0 | 0 | 111.6 | M182 Y189 V194 I204 L205 K210 L211 P213 V216 I274 | M182-I208 HydrophobicContact CE-CD1 4.36Å; M182-I208 HydrophobicContact CE-CG1 3.47Å; M182-I208 VanDerWaalsContact CE-CG1 3.47Å; M182-I208 HydrophobicContact CG-CD1 4.41Å; M182-I208 HydrophobicContact CG-CG1 4.44Å; M182-I208 HydrophobicContact SD-CG1 3.98Å; Y189-I208 HydrophobicContact CD1-CD1 4.11Å; Y189-I208 HydrophobicContact CD1-CG1 4.26Å; Y189-I208 HydrophobicContact CD1-CG2 4.07Å; Y189-I208 HydrophobicContact CE1-CD1 3.74Å; Y189-I208 HydrophobicContact CE1-CG1 4.23Å; Y189-I208 HydrophobicContact CG-CG2 4.35Å; V194-I208 HydrophobicContact CG1-CD1 3.97Å; V194-I208 HydrophobicContact CG2-CG2 4.29Å; I204-I208 HydrophobicContact CG2-CD1 3.68Å; I204-I208 HydrophobicContact CG2-CG1 4.31Å; I204-I208 WeakPolarHBondContact O-CB 3.45Å; I204-I208 WeakPolarHBondContact O-CG1 3.45Å; I204-I208 PolarHBondContact O-N 2.86Å; L205-I208 PolarHBondContact O-N 3.25Å; I208-K210 PolarHBondContact O-N 2.85Å; I208-L211 WeakPolarHBondContact O-CA 3.37Å; I208-L211 WeakPolarHBondContact O-CB 3.31Å; I208-L211 PolarHBondContact O-N 3.46Å; I208-P213 HydrophobicContact CG2-CB 4.06Å; I208-P213 HydrophobicContact CG2-CG 4.07Å; I208-P213 WeakPolarHBondContact O-CD 3.25Å; I208-V216 HydrophobicContact CB-CG2 4.31Å; I208-V216 HydrophobicContact CG2-CG2 3.5Å; I208-I274 HydrophobicContact CD1-CD1 3.61Å |
| 209 | V | 98.6 | Very high | 98.7 | Very high | 36 Ų | 36 | 33.2 Ų | 33.2 | 22% | 0.218 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -56.6 | -36.1 | 179.3 | 164.5 | 0 | 0 | 0 | 0 | 112 | L205 E207 L211 K212 V240 Y249 | L205-V209 HydrophobicContact CD1-CG2 3.87Å; L205-V209 HydrophobicContact CG-CG2 4.48Å; L205-V209 WeakPolarHBondContact O-CB 3.4Å; L205-V209 VanDerWaalsContact O-CG2 3.25Å; L205-V209 WeakPolarHBondContact O-CG2 3.4Å; L205-V209 PolarHBondContact O-N 3.01Å; E207-V209 PolarHBondContact O-N 2.97Å; V209-L211 PolarHBondContact O-N 2.84Å; V209-K212 PolarHBondContact O-N 3.08Å; V209-V240 HydrophobicContact CG2-CG2 4.22Å; V209-Y249 HydrophobicContact CG1-CD1 4.44Å; V209-Y249 HydrophobicContact CG2-CD1 3.68Å; V209-Y249 HydrophobicContact CG2-CE1 4.44Å; V209-Y249 HydrophobicContact CG2-CG 4.03Å |
| 210 | K | 98.4 | Very high | 98.7 | Very high | 96 Ų | 96 | 33.8 Ų | 33.8 | 42% | 0.417 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -63.2 | -25.7 | 175.8 | -61.5 | 167.5 | -165.5 | 172.1 | 0 | 112.9 | Y206 E207 I208 K212 | Y206-K210 VanDerWaalsContact CD1-NZ 3.34Å; Y206-K210 VanDerWaalsContact CE1-CE 3.43Å; Y206-K210 WeakPolarHBondContact O-CE 3.41Å; Y206-K210 WeakPolarHBondContact O-CG 3.32Å; E207-K210 WeakPolarHBondContact O-CB 3.45Å; E207-K210 PolarHBondContact O-N 2.99Å; E207-K210 IonicContact OE1-NZ 3.31Å; E207-K210 PolarHBondContact OE1-NZ 3.06Å; E207-K210 IonicContact OE2-NZ 3.91Å; I208-K210 PolarHBondContact O-N 2.85Å; K210-K212 VanDerWaalsContact C-N 3.26Å; K210-K212 PolarHBondContact O-N 3.08Å |
| 211 | L | 98.6 | Very high | 98.7 | Very high | 74 Ų | 74 | 34.7 Ų | 34.7 | 39% | 0.387 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | 12.7 | -178.2 | -53.6 | 178.8 | 0 | 0 | 0 | 113.3 | M182 Y189 T190 I208 V209 | M182-L211 HydrophobicContact CE-CD1 4.1Å; Y189-L211 HydrophobicContact CD2-CD1 3.63Å; Y189-L211 HydrophobicContact CG-CD1 4.16Å; T190-L211 WeakPolarHBondContact CA-O 3.26Å; I208-L211 WeakPolarHBondContact O-CA 3.37Å; I208-L211 WeakPolarHBondContact O-CB 3.31Å; I208-L211 PolarHBondContact O-N 3.46Å; V209-L211 PolarHBondContact O-N 2.84Å |
| 212 | K | 98.5 | Very high | 98.7 | Very high | 160 Ų | 160 | 34.2 Ų | 34.2 | 70% | 0.696 | 16% | 0.159 | S | C | * | . | trans | 54.9 | 57 | 174 | -56.2 | 177.3 | -177 | 176.3 | 0 | 113 | G191 V209 K210 | G191-K212 PolarHBondContact N-O 3.22Å; V209-K212 PolarHBondContact O-N 3.08Å; K210-K212 VanDerWaalsContact C-N 3.26Å; K210-K212 PolarHBondContact O-N 3.08Å | ||
| 213 | P | 98.8 | Very high | 98.7 | Very high | 9 Ų | 9 | 37.5 Ų | 37.5 | 6% | 0.058 | 17% | 0.174 | C | C | . | . | trans | -66.6 | 163.8 | 175.2 | 34 | -35.4 | 0 | 0 | 0 | 109.7 | Y189 I208 V216 C248 | Y189-P213 WeakPolarHBondContact O-CA 3.35Å; I208-P213 HydrophobicContact CG2-CB 4.06Å; I208-P213 HydrophobicContact CG2-CG 4.07Å; I208-P213 WeakPolarHBondContact O-CD 3.25Å; P213-V216 HydrophobicContact CB-CG2 3.82Å; P213-V216 HydrophobicContact CG-CG2 3.48Å; P213-V216 VanDerWaalsContact CG-CG2 3.48Å; P213-C248 HydrophobicContact CG-CB 4.23Å | ||
| 214 | K | 98.8 | Very high | 98.7 | Very high | 129 Ų | 129 | 39.9 Ų | 39.9 | 56% | 0.561 | 19% | 0.185 | S | C | * | . | S | Bend | trans | -73.5 | -46.1 | 168.3 | 175 | -179.5 | 162.6 | -148 | 0 | 110.3 | G191 K192 D193 | G191-K214 WeakPolarHBondContact O-CB 3.45Å; K192-K214 PolarHBondContact O-N 2.85Å; D193-K214 WeakPolarHBondContact OD1-CD 3.42Å; D193-K214 IonicContact OD1-NZ 2.8Å; D193-K214 IonicContact OD2-NZ 3.93Å; D193-K214 PolarHBondContact OD2-NZ 3.07Å |
| 215 | M | 98.9 | Very high | 98.7 | Very high | 52 Ų | 52 | 40 Ų | 40 | 26% | 0.256 | 19% | 0.186 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.8 | 133.3 | 175.4 | -178.2 | 59.1 | 65.8 | 0 | 0 | 110.4 | K192 D193 V194 C248 | K192-M215 PolarHBondContact O-N 2.88Å; D193-M215 CarbonylContact C-O 3.52Å; D193-M215 WeakPolarHBondContact CA-O 3.45Å; V194-M215 PolarHBondContact N-O 2.75Å; M215-C248 CarbonylContact C-O 3.43Å; M215-C248 WeakPolarHBondContact CA-O 3.33Å |
| 216 | V | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 123.3 | 166.4 | -169.9 | 0 | 0 | 0 | 0 | 108.6 | V194 I196 L205 I208 P213 C248 Y249 Q250 | V194-V216 HydrophobicContact CB-CG1 4.32Å; V194-V216 HydrophobicContact CB-CG2 4.4Å; V194-V216 HydrophobicContact CG1-CG1 4.49Å; V194-V216 WeakPolarHBondContact O-CA 3.42Å; I196-V216 HydrophobicContact CD1-CG1 3.55Å; I196-V216 HydrophobicContact CG1-CG1 4.13Å; L205-V216 HydrophobicContact CD1-CB 3.9Å; L205-V216 HydrophobicContact CD1-CG1 3.65Å; I208-V216 HydrophobicContact CB-CG2 4.31Å; I208-V216 HydrophobicContact CG2-CG2 3.5Å; P213-V216 HydrophobicContact CB-CG2 3.82Å; P213-V216 HydrophobicContact CG-CG2 3.48Å; P213-V216 VanDerWaalsContact CG-CG2 3.48Å; V216-C248 PolarHBondContact N-O 3.49Å; V216-Y249 CarbonylContact O-C 3.52Å; V216-Y249 WeakPolarHBondContact O-CA 3.22Å; V216-Q250 PolarHBondContact O-N 2.57Å |
| 217 | T | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 112.9 | 171.3 | -59.5 | 0 | 0 | 0 | 0 | 108.1 | V194 L195 I196 V219 Q250 L252 R268 | V194-T217 PolarHBondContact O-N 2.9Å; L195-T217 CarbonylContact C-O 3.55Å; L195-T217 WeakPolarHBondContact CA-O 3.24Å; L195-T217 HydrophobicContact CD1-CG2 4.21Å; L195-T217 WeakPolarHBondContact CD1-O 3.47Å; I196-T217 PolarHBondContact N-O 2.96Å; T217-V219 HydrophobicContact CG2-CG2 4.23Å; T217-Q250 WeakPolarHBondContact CA-O 3.48Å; T217-Q250 HydrophobicContact CG2-CG 4.03Å; T217-Q250 PolarHBondContact OG1-NE2 2.85Å; T217-Q250 VanDerWaalsContact OG1-NE2 3.14Å; T217-L252 HydrophobicContact CG2-CD1 3.94Å; T217-L252 HydrophobicContact CG2-CG 4.26Å; T217-R268 PolarHBondContact OG1-NH2 2.8Å |
| 218 | M | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 136.5 | 173.3 | -173.3 | 174 | 101.8 | 0 | 0 | 109.2 | I196 G198 G199 L205 E220 I226 L241 Q250 V251 L252 | I196-M218 HydrophobicContact CB-CB 4.24Å; I196-M218 HydrophobicContact CB-CG 4.09Å; I196-M218 HydrophobicContact CG2-CG 4.11Å; I196-M218 CarbonylContact O-C 3.56Å; I196-M218 WeakPolarHBondContact O-CA 3.4Å; G198-M218 WeakPolarHBondContact O-CG 3.48Å; G199-M218 VanDerWaalsContact O-SD 3.32Å; L205-M218 HydrophobicContact CB-SD 3.94Å; L205-M218 HydrophobicContact CD2-CE 4.46Å; L205-M218 HydrophobicContact CD2-SD 3.94Å; M218-E220 HydrophobicContact CE-CB 4.46Å; M218-I226 HydrophobicContact CE-CD1 4.32Å; M218-L241 HydrophobicContact CE-CD2 4.12Å; M218-Q250 PolarHBondContact N-O 3.42Å; M218-V251 HydrophobicContact CB-CG2 4.33Å; M218-V251 HydrophobicContact CE-CB 4.43Å; M218-V251 HydrophobicContact CE-CG1 3.63Å; M218-V251 HydrophobicContact CE-CG2 3.91Å; M218-V251 CarbonylContact O-C 3.55Å; M218-V251 WeakPolarHBondContact O-CA 3.36Å; M218-L252 PolarHBondContact O-N 2.98Å |
| 219 | V | 98.9 | Very high | 98.7 | Very high | 1 Ų | 1 | 37.4 Ų | 37.4 | 1% | 0.006 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 105.2 | -178.7 | -170.1 | 0 | 0 | 0 | 0 | 108.7 | L195 I196 G198 T217 L252 E254 C256 V259 | L195-V219 HydrophobicContact CD1-CG2 3.96Å; I196-V219 PolarHBondContact O-N 2.88Å; G198-V219 PolarHBondContact N-O 2.95Å; T217-V219 HydrophobicContact CG2-CG2 4.23Å; V219-L252 WeakPolarHBondContact CA-O 3.38Å; V219-L252 HydrophobicContact CG1-CB 4.39Å; V219-L252 HydrophobicContact CG2-CB 4.38Å; V219-L252 HydrophobicContact CG2-CD1 4.26Å; V219-E254 WeakPolarHBondContact CG1-O 3.37Å; V219-C256 HydrophobicContact CB-CB 4.29Å; V219-C256 HydrophobicContact CG1-CB 3.96Å; V219-V259 HydrophobicContact CG1-CB 4.23Å; V219-V259 HydrophobicContact CG1-CG1 4.45Å; V219-V259 HydrophobicContact CG1-CG2 3.9Å; V219-V259 HydrophobicContact CG2-CG1 4.01Å |
| 220 | E | 98.5 | Very high | 98.7 | Very high | 16 Ų | 16 | 38.2 Ų | 38.2 | 8% | 0.075 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 134.9 | -176.5 | 172.3 | 50.7 | -113.2 | 0 | 0 | 108.7 | G198 G200 M218 D222 I226 L252 I253 E254 | G198-E220 WeakPolarHBondContact CA-OE2 3.26Å; G200-E220 WeakPolarHBondContact CA-OE2 3.35Å; G200-E220 PolarHBondContact N-OE2 2.61Å; G200-E220 VanDerWaalsContact N-OE2 3.15Å; M218-E220 HydrophobicContact CE-CB 4.46Å; E220-D222 PolarHBondContact OE1-N 2.7Å; E220-I226 HydrophobicContact CB-CD1 3.79Å; E220-I226 HydrophobicContact CB-CG1 4.5Å; E220-I226 HydrophobicContact CG-CD1 3.61Å; E220-I226 HydrophobicContact CG-CG1 3.91Å; E220-L252 PolarHBondContact N-O 3Å; E220-I253 CarbonylContact O-C 3.6Å; E220-I253 WeakPolarHBondContact O-CA 2.91Å; E220-E254 CarbonylContact C-O 3.6Å; E220-E254 PolarHBondContact O-N 2.81Å |
| 221 | I | 98.2 | Very high | 98.7 | Very high | 22 Ų | 22 | 40 Ų | 40 | 11% | 0.113 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -81.8 | -29.3 | -176.7 | -164.5 | 172.4 | 0 | 0 | 0 | 111.9 | Y147 D255 I282 T284 | Y147-I221 HydrophobicContact CD1-CD1 3.96Å; Y147-I221 HydrophobicContact CD1-CG1 4.21Å; Y147-I221 HydrophobicContact CE1-CD1 3.69Å; Y147-I221 HydrophobicContact CE1-CG1 3.74Å; Y147-I221 HydrophobicContact CE2-CG1 4.38Å; Y147-I221 WeakPolarHBondContact CE2-O 3.38Å; I221-D255 HydrophobicContact CD1-CB 3.95Å; I221-D255 HydrophobicContact CG1-CB 4.37Å; I221-I282 HydrophobicContact CD1-CG2 4.14Å; I221-I282 HydrophobicContact CG2-CD1 4.09Å; I221-T284 HydrophobicContact CD1-CG2 4.09Å |
| 222 | D | 98.3 | Very high | 98.7 | Very high | 2 Ų | 2 | 39.1 Ų | 39.1 | 1% | 0.011 | 18% | 0.179 | C | C | . | . | trans | -110.7 | 102.4 | -166.3 | -162.6 | -22.5 | 0 | 0 | 0 | 113.1 | S145 Y147 Q148 E220 M224 V225 I226 | S145-D222 VanDerWaalsContact CB-OD2 3.31Å; S145-D222 WeakPolarHBondContact CB-OD2 3.16Å; S145-D222 PolarHBondContact OG-OD2 3.43Å; Y147-D222 HydrophobicContact CD2-CB 3.91Å; Y147-D222 HydrophobicContact CE2-CB 4.46Å; Q148-D222 PolarHBondContact NE2-OD2 3.33Å; Q148-D222 VanDerWaalsContact NE2-OD2 3.07Å; E220-D222 PolarHBondContact OE1-N 2.7Å; D222-M224 PolarHBondContact O-N 3.46Å; D222-M224 WeakPolarHBondContact OD1-CB 3.36Å; D222-M224 PolarHBondContact OD1-N 3.25Å; D222-V225 HydrophobicContact CB-CB 4.19Å; D222-V225 HydrophobicContact CB-CG2 3.77Å; D222-V225 PolarHBondContact O-N 2.91Å; D222-I226 PolarHBondContact O-N 3.14Å | ||
| 223 | Q | 98.6 | Very high | 98.7 | Very high | 68 Ų | 68 | 31.5 Ų | 31.5 | 32% | 0.318 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -57.9 | -32.6 | 175.5 | -176.5 | 58.9 | 64.9 | 0 | 0 | 112.7 | I226 D227 I253 | Q223-I226 PolarHBondContact O-N 2.93Å; Q223-D227 VanDerWaalsContact NE2-CG 3.33Å; Q223-D227 PolarHBondContact NE2-OD1 3.26Å; Q223-D227 PolarHBondContact NE2-OD2 3.02Å; Q223-D227 PolarHBondContact O-N 3.36Å; Q223-I253 HydrophobicContact CB-CG2 4.07Å |
| 224 | M | 98.8 | Very high | 98.6 | Very high | 53 Ų | 53 | 35.8 Ų | 35.8 | 26% | 0.261 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -72.9 | -30 | -178.3 | -69.6 | 179.9 | 60.4 | 0 | 0 | 111.9 | Y141 E143 I150 D222 G228 | Y141-M224 VanDerWaalsContact OH-CE 3.28Å; Y141-M224 WeakPolarHBondContact OH-CE 3.35Å; E143-M224 HydrophobicContact CB-CE 3.81Å; I150-M224 HydrophobicContact CD1-CB 3.58Å; D222-M224 PolarHBondContact O-N 3.46Å; D222-M224 WeakPolarHBondContact OD1-CB 3.36Å; D222-M224 PolarHBondContact OD1-N 3.25Å; M224-G228 PolarHBondContact O-N 3.5Å |
| 225 | V | 98.8 | Very high | 98.5 | Very high | 3 Ų | 3 | 36.4 Ų | 36.4 | 2% | 0.018 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -63.9 | -47.4 | 171.5 | 175.6 | 0 | 0 | 0 | 0 | 109.9 | I150 L162 L164 D222 D227 G228 C229 | I150-V225 HydrophobicContact CD1-CG2 3.64Å; I150-V225 HydrophobicContact CG1-CG2 4Å; L162-V225 HydrophobicContact CD2-CG1 4.33Å; L164-V225 HydrophobicContact CD1-CG2 4.45Å; L164-V225 HydrophobicContact CD2-CG2 3.95Å; D222-V225 HydrophobicContact CB-CB 4.19Å; D222-V225 HydrophobicContact CB-CG2 3.77Å; D222-V225 PolarHBondContact O-N 2.91Å; V225-D227 PolarHBondContact O-N 3.22Å; V225-G228 PolarHBondContact O-N 3.33Å; V225-C229 WeakPolarHBondContact O-CB 3.38Å; V225-C229 PolarHBondContact O-N 2.93Å; V225-C229 PolarHBondContact O-SG 3.08Å |
| 226 | I | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -61.2 | -47.2 | 177.8 | -74.1 | 166.3 | 0 | 0 | 0 | 111.4 | M218 E220 D222 Q223 C229 K230 L241 L244 V251 I253 | M218-I226 HydrophobicContact CE-CD1 4.32Å; E220-I226 HydrophobicContact CB-CD1 3.79Å; E220-I226 HydrophobicContact CB-CG1 4.5Å; E220-I226 HydrophobicContact CG-CD1 3.61Å; E220-I226 HydrophobicContact CG-CG1 3.91Å; D222-I226 PolarHBondContact O-N 3.14Å; Q223-I226 PolarHBondContact O-N 2.93Å; I226-C229 PolarHBondContact O-N 3.32Å; I226-K230 WeakPolarHBondContact O-CB 3.43Å; I226-K230 PolarHBondContact O-N 3.49Å; I226-L241 HydrophobicContact CG2-CD1 4.41Å; I226-L244 HydrophobicContact CG2-CD2 4.08Å; I226-V251 HydrophobicContact CD1-CG1 3.81Å; I226-I253 HydrophobicContact CD1-CD1 3.24Å |
| 227 | D | 98.8 | Very high | 98.4 | Very high | 62 Ų | 62 | 34.6 Ų | 34.6 | 33% | 0.332 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -67.7 | -38.9 | -178.1 | -75 | -37.6 | 0 | 0 | 0 | 112.4 | Q223 V225 K230 K231 | Q223-D227 VanDerWaalsContact NE2-CG 3.33Å; Q223-D227 PolarHBondContact NE2-OD1 3.26Å; Q223-D227 PolarHBondContact NE2-OD2 3.02Å; Q223-D227 PolarHBondContact O-N 3.36Å; V225-D227 PolarHBondContact O-N 3.22Å; D227-K230 IonicContact OD1-NZ 3.4Å; D227-K230 PolarHBondContact OD1-NZ 3.24Å; D227-K231 WeakPolarHBondContact O-CB 3.43Å; D227-K231 PolarHBondContact O-N 2.99Å; D227-K231 VanDerWaalsContact O-N 3.1Å |
| 228 | G | 98.7 | Very high | 98.3 | Very high | 3 Ų | 3 | 35.2 Ų | 35.2 | 3% | 0.031 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -61.5 | -50.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | M224 V225 K231 Y232 | M224-G228 PolarHBondContact O-N 3.5Å; V225-G228 PolarHBondContact O-N 3.33Å; G228-K231 PolarHBondContact O-N 3.41Å; G228-K231 VanDerWaalsContact O-N 3.1Å; G228-Y232 VanDerWaalsContact O-CD2 3.27Å; G228-Y232 WeakPolarHBondContact O-CD2 3.27Å; G228-Y232 PolarHBondContact O-N 3.16Å |
| 229 | C | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -67.6 | -41.9 | -178.8 | -65.5 | 0 | 0 | 0 | 0 | 112.4 | V225 I226 K231 Y232 M233 | V225-C229 WeakPolarHBondContact O-CB 3.38Å; V225-C229 PolarHBondContact O-N 2.93Å; V225-C229 PolarHBondContact O-SG 3.08Å; I226-C229 PolarHBondContact O-N 3.32Å; C229-K231 PolarHBondContact O-N 2.92Å; C229-Y232 PolarHBondContact O-N 3.45Å; C229-M233 HydrophobicContact CB-CB 4.06Å; C229-M233 HydrophobicContact CB-CG 4.12Å; C229-M233 WeakPolarHBondContact O-CA 3.3Å; C229-M233 WeakPolarHBondContact O-CB 3.27Å; C229-M233 PolarHBondContact O-N 3.02Å |
| 230 | K | 98.4 | Very high | 98.1 | Very high | 52 Ų | 52 | 40.4 Ų | 40.4 | 23% | 0.226 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -55.2 | -36 | 170.5 | 178 | 179.3 | 67.2 | -157.8 | 0 | 111.7 | I226 D227 R234 L241 | I226-K230 WeakPolarHBondContact O-CB 3.43Å; I226-K230 PolarHBondContact O-N 3.49Å; D227-K230 IonicContact OD1-NZ 3.4Å; D227-K230 PolarHBondContact OD1-NZ 3.24Å; K230-R234 WeakPolarHBondContact O-CD 3.17Å; K230-R234 PolarHBondContact O-NE 2.61Å; K230-R234 PolarHBondContact O-NH2 3.08Å; K230-L241 HydrophobicContact CB-CB 3.96Å; K230-L241 HydrophobicContact CB-CD1 4.38Å; K230-L241 HydrophobicContact CD-CB 4.32Å; K230-L241 VanDerWaalsContact CD-O 3.27Å; K230-L241 WeakPolarHBondContact CD-O 3.29Å; K230-L241 HydrophobicContact CG-CB 4.15Å |
| 231 | K | 98.7 | Very high | 98.1 | Very high | 133 Ų | 133 | 39.7 Ų | 39.7 | 58% | 0.578 | 19% | 0.187 | S | C | * | . | H | α-helix | trans | -81.2 | -40.5 | -179.5 | -168 | 173 | 174 | -164.3 | 0 | 112.6 | D227 G228 C229 | D227-K231 WeakPolarHBondContact O-CB 3.43Å; D227-K231 PolarHBondContact O-N 2.99Å; D227-K231 VanDerWaalsContact O-N 3.1Å; G228-K231 PolarHBondContact O-N 3.41Å; G228-K231 VanDerWaalsContact O-N 3.1Å; C229-K231 PolarHBondContact O-N 2.92Å |
| 232 | Y | 98.8 | Very high | 98.1 | Very high | 56 Ų | 56 | 42.4 Ų | 42.4 | 22% | 0.22 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -120.8 | -13.2 | -163.4 | -55.2 | -62.6 | 0 | 0 | 0 | 115.3 | V140 Y141 I152 N160 G228 C229 | V140-Y232 HydrophobicContact CG1-CD1 3.34Å; V140-Y232 HydrophobicContact CG1-CD2 4.18Å; V140-Y232 HydrophobicContact CG1-CE1 3.7Å; V140-Y232 HydrophobicContact CG1-CE2 4.46Å; V140-Y232 HydrophobicContact CG1-CG 3.58Å; Y141-Y232 HydrophobicContact CD2-CD2 4.49Å; Y141-Y232 AromaticContact CD2-CE2 3.74Å; Y141-Y232 HydrophobicContact CD2-CE2 3.74Å; Y141-Y232 HydrophobicContact CG-CD2 4.47Å; Y141-Y232 HydrophobicContact CG-CE2 4.11Å; I152-Y232 HydrophobicContact CD1-CD2 3.97Å; I152-Y232 HydrophobicContact CD1-CG 4.42Å; N160-Y232 PolarHBondContact ND2-O 2.97Å; G228-Y232 VanDerWaalsContact O-CD2 3.27Å; G228-Y232 WeakPolarHBondContact O-CD2 3.27Å; G228-Y232 PolarHBondContact O-N 3.16Å; C229-Y232 PolarHBondContact O-N 3.45Å |
| 233 | M | 98.4 | Very high | 98.1 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 23% | 0.229 | C | C | . | . | trans | -109.7 | 40.9 | -179 | -61.9 | -68.5 | -74.1 | 0 | 0 | 111.5 | I152 N160 L162 L170 E172 C229 K235 T236 C237 | I152-M233 HydrophobicContact CD1-CG 4.26Å; I152-M233 HydrophobicContact CG2-SD 4.19Å; N160-M233 HydrophobicContact CB-SD 3.53Å; N160-M233 VanDerWaalsContact CB-SD 3.53Å; N160-M233 WeakPolarHBondContact O-CE 3.27Å; N160-M233 VanDerWaalsContact O-SD 3.38Å; L162-M233 HydrophobicContact CB-CE 4.26Å; L170-M233 WeakPolarHBondContact O-CE 3.45Å; E172-M233 HydrophobicContact CG-CE 4.26Å; E172-M233 HydrophobicContact CG-SD 4.17Å; C229-M233 HydrophobicContact CB-CB 4.06Å; C229-M233 HydrophobicContact CB-CG 4.12Å; C229-M233 WeakPolarHBondContact O-CA 3.3Å; C229-M233 WeakPolarHBondContact O-CB 3.27Å; C229-M233 PolarHBondContact O-N 3.02Å; M233-K235 VanDerWaalsContact C-N 3.27Å; M233-K235 PolarHBondContact O-N 2.82Å; M233-T236 WeakPolarHBondContact O-CA 3.45Å; M233-T236 WeakPolarHBondContact O-CB 3.36Å; M233-T236 PolarHBondContact O-N 3.4Å; M233-C237 PolarHBondContact O-N 2.88Å | ||
| 234 | R | 97.3 | Very high | 98.1 | Very high | 99 Ų | 99 | 46.7 Ų | 46.7 | 37% | 0.374 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -63.7 | -27.1 | -171.4 | -74.9 | -69.6 | -173.7 | -177.4 | -6.6 | 114 | K230 T236 G238 D242 | K230-R234 WeakPolarHBondContact O-CD 3.17Å; K230-R234 PolarHBondContact O-NE 2.61Å; K230-R234 PolarHBondContact O-NH2 3.08Å; R234-T236 PolarHBondContact O-N 2.77Å; R234-G238 VanDerWaalsContact CD-O 3.24Å; R234-G238 WeakPolarHBondContact CD-O 3.49Å; R234-G238 PolarHBondContact NH1-O 2.87Å; R234-G238 VanDerWaalsContact O-CA 3.29Å; R234-G238 WeakPolarHBondContact O-CA 3.15Å; R234-G238 PolarHBondContact O-N 3.29Å; R234-D242 IonicContact CZ-OD1 3.55Å; R234-D242 VanDerWaalsContact CZ-OD1 3.26Å; R234-D242 IonicContact NH1-OD1 3.78Å; R234-D242 PolarHBondContact NH1-OD1 2.79Å; R234-D242 IonicContact NH1-OD2 2.71Å; R234-D242 PolarHBondContact NH1-OD2 3.4Å; R234-D242 IonicContact NH2-OD1 3.28Å; R234-D242 PolarHBondContact NH2-OD1 3.29Å; R234-D242 IonicContact NH2-OD2 3.3Å |
| 235 | K | 96.3 | Very high | 98.1 | Very high | 143 Ų | 143 | 50.9 Ų | 50.9 | 62% | 0.622 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -69.4 | -24.9 | 173.3 | -63.4 | -175.4 | -161.3 | 128.9 | 0 | 112.4 | E172 M233 | E172-K235 HydrophobicContact CB-CB 4Å; E172-K235 HydrophobicContact CB-CD 4.17Å; E172-K235 HydrophobicContact CG-CB 3.98Å; E172-K235 HydrophobicContact CG-CD 4.48Å; E172-K235 HydrophobicContact CG-CG 4.5Å; E172-K235 WeakPolarHBondContact OE1-CB 3.23Å; E172-K235 WeakPolarHBondContact OE1-CG 3.18Å; E172-K235 PolarHBondContact OE1-N 2.85Å; E172-K235 WeakPolarHBondContact OE2-CD 3.41Å; E172-K235 WeakPolarHBondContact OE2-CE 3.33Å; E172-K235 IonicContact OE2-NZ 2.95Å; E172-K235 PolarHBondContact OE2-NZ 2.69Å; M233-K235 VanDerWaalsContact C-N 3.27Å; M233-K235 PolarHBondContact O-N 2.82Å |
| 236 | T | 97.6 | Very high | 98 | Very high | 13 Ų | 13 | 52.3 Ų | 52.3 | 8% | 0.08 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -84.5 | -57.5 | 177.6 | -55.7 | 0 | 0 | 0 | 0 | 111.3 | L170 D201 Y206 M233 R234 | L170-T236 HydrophobicContact CD2-CG2 3.63Å; D201-T236 HydrophobicContact CB-CG2 4.38Å; D201-T236 VanDerWaalsContact OD1-CG2 3.26Å; D201-T236 WeakPolarHBondContact OD1-CG2 2.96Å; Y206-T236 WeakPolarHBondContact CD1-O 3.36Å; M233-T236 WeakPolarHBondContact O-CA 3.45Å; M233-T236 WeakPolarHBondContact O-CB 3.36Å; M233-T236 PolarHBondContact O-N 3.4Å; R234-T236 PolarHBondContact O-N 2.77Å |
| 237 | C | 97.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -91.2 | -11.8 | -171.3 | 70.9 | 0 | 0 | 0 | 0 | 115.1 | D201 Y206 M233 D239 V240 L241 | D201-C237 WeakPolarHBondContact O-CB 3.47Å; Y206-C237 WeakPolarHBondContact CD2-O 3.41Å; M233-C237 PolarHBondContact O-N 2.88Å; C237-D239 PolarHBondContact O-N 3.42Å; C237-V240 WeakPolarHBondContact O-CG1 3.42Å; C237-V240 PolarHBondContact O-N 2.95Å; C237-L241 HydrophobicContact CB-CD1 3.83Å; C237-L241 HydrophobicContact CB-CG 4.1Å |
| 238 | G | 97.1 | Very high | 97.9 | Very high | 14 Ų | 14 | 58.8 Ų | 58.8 | 14% | 0.144 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 53 | -126.1 | -169.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | R234 | R234-G238 VanDerWaalsContact CD-O 3.24Å; R234-G238 WeakPolarHBondContact CD-O 3.49Å; R234-G238 PolarHBondContact NH1-O 2.87Å; R234-G238 VanDerWaalsContact O-CA 3.29Å; R234-G238 WeakPolarHBondContact O-CA 3.15Å; R234-G238 PolarHBondContact O-N 3.29Å |
| 239 | D | 96.8 | Very high | 97.9 | Very high | 105 Ų | 105 | 59.9 Ų | 59.9 | 56% | 0.561 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106 | 2.2 | 177.8 | 60.6 | -3.9 | 0 | 0 | 0 | 113.6 | C237 L241 D242 | C237-D239 PolarHBondContact O-N 3.42Å; D239-L241 PolarHBondContact O-N 3.5Å; D239-L241 VanDerWaalsContact O-N 3.13Å; D239-D242 VanDerWaalsContact O-CB 3.32Å; D239-D242 WeakPolarHBondContact O-CB 3.48Å; D239-D242 PolarHBondContact O-N 2.82Å |
| 240 | V | 97.9 | Very high | 97.9 | Very high | 5 Ų | 5 | 61.9 Ų | 61.9 | 3% | 0.03 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -26.6 | -171.2 | 83.7 | 0 | 0 | 0 | 0 | 113.2 | L205 Y206 V209 C237 N243 Y249 | L205-V240 HydrophobicContact CB-CG1 4.47Å; L205-V240 HydrophobicContact CD2-CG1 3.98Å; L205-V240 HydrophobicContact CD2-CG2 4.05Å; L205-V240 HydrophobicContact CG-CG1 4.04Å; L205-V240 HydrophobicContact CG-CG2 3.85Å; Y206-V240 HydrophobicContact CD2-CB 4.13Å; V209-V240 HydrophobicContact CG2-CG2 4.22Å; C237-V240 WeakPolarHBondContact O-CG1 3.42Å; C237-V240 PolarHBondContact O-N 2.95Å; V240-N243 VanDerWaalsContact O-O 3.11Å; V240-Y249 HydrophobicContact CG2-CD1 4.41Å; V240-Y249 HydrophobicContact CG2-CD2 4.44Å; V240-Y249 HydrophobicContact CG2-CE1 3.98Å; V240-Y249 HydrophobicContact CG2-CE2 4.02Å; V240-Y249 PolarHBondContact O-OH 3.02Å |
| 241 | L | 98.1 | Very high | 98 | Very high | 1 Ų | 1 | 59.7 Ų | 59.7 | 1% | 0.005 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | -5.1 | 178.9 | -61 | -178.7 | 0 | 0 | 0 | 113.3 | L205 M218 I226 K230 C237 D239 N243 | L205-L241 HydrophobicContact CD2-CD2 4.27Å; M218-L241 HydrophobicContact CE-CD2 4.12Å; I226-L241 HydrophobicContact CG2-CD1 4.41Å; K230-L241 HydrophobicContact CB-CB 3.96Å; K230-L241 HydrophobicContact CB-CD1 4.38Å; K230-L241 HydrophobicContact CD-CB 4.32Å; K230-L241 VanDerWaalsContact CD-O 3.27Å; K230-L241 WeakPolarHBondContact CD-O 3.29Å; K230-L241 HydrophobicContact CG-CB 4.15Å; C237-L241 HydrophobicContact CB-CD1 3.83Å; C237-L241 HydrophobicContact CB-CG 4.1Å; D239-L241 PolarHBondContact O-N 3.5Å; D239-L241 VanDerWaalsContact O-N 3.13Å; L241-N243 PolarHBondContact O-N 3.13Å |
| 242 | D | 98 | Very high | 98 | Very high | 79 Ų | 79 | 54.5 Ų | 54.5 | 42% | 0.422 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -65.9 | -29.1 | 177.1 | -70.2 | -13.2 | 0 | 0 | 0 | 111.7 | R234 D239 | R234-D242 IonicContact CZ-OD1 3.55Å; R234-D242 VanDerWaalsContact CZ-OD1 3.26Å; R234-D242 IonicContact NH1-OD1 3.78Å; R234-D242 PolarHBondContact NH1-OD1 2.79Å; R234-D242 IonicContact NH1-OD2 2.71Å; R234-D242 PolarHBondContact NH1-OD2 3.4Å; R234-D242 IonicContact NH2-OD1 3.28Å; R234-D242 PolarHBondContact NH2-OD1 3.29Å; R234-D242 IonicContact NH2-OD2 3.3Å; D239-D242 VanDerWaalsContact O-CB 3.32Å; D239-D242 WeakPolarHBondContact O-CB 3.48Å; D239-D242 PolarHBondContact O-N 2.82Å |
| 243 | N | 97.9 | Very high | 98 | Very high | 108 Ų | 108 | 54.6 Ų | 54.6 | 58% | 0.578 | 28% | 0.28 | S | S | * | . | S | Bend | trans | -127.8 | 123 | 169.4 | -64 | -73.1 | 0 | 0 | 0 | 109.1 | V240 L241 K245 Y249 | V240-N243 VanDerWaalsContact O-O 3.11Å; L241-N243 PolarHBondContact O-N 3.13Å; N243-K245 PolarHBondContact O-N 3.43Å; N243-Y249 VanDerWaalsContact O-CE2 3.27Å; N243-Y249 WeakPolarHBondContact O-CE2 3.49Å; N243-Y249 PolarHBondContact O-OH 2.64Å |
| 244 | L | 98.3 | Very high | 97.9 | Very high | 51 Ų | 51 | 58.5 Ų | 58.5 | 27% | 0.267 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -71.2 | 0.2 | 179.3 | -61.6 | -175 | 0 | 0 | 0 | 113.8 | I226 Q250 V251 I253 | I226-L244 HydrophobicContact CG2-CD2 4.08Å; L244-Q250 CarbonylContact O-C 3.5Å; L244-Q250 WeakPolarHBondContact O-CA 3.29Å; L244-V251 HydrophobicContact CB-CB 4.12Å; L244-V251 HydrophobicContact CD2-CB 4.03Å; L244-V251 HydrophobicContact CD2-CG1 4.28Å; L244-V251 HydrophobicContact CD2-CG2 4.18Å; L244-V251 PolarHBondContact O-N 3Å; L244-I253 HydrophobicContact CD1-CD1 4.1Å; L244-I253 HydrophobicContact CD1-CG1 4.12Å |
| 245 | K | 98.4 | Very high | 97.9 | Very high | 142 Ų | 142 | 55.1 Ų | 55.1 | 62% | 0.617 | 29% | 0.288 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 136.7 | 175 | -63.1 | -172.4 | 179.5 | -176.7 | 0 | 109.4 | N243 Q250 | N243-K245 PolarHBondContact O-N 3.43Å; K245-Q250 HydrophobicContact CG-CB 4.1Å |
| 246 | G | 97.4 | Very high | 97.9 | Very high | 32 Ų | 32 | 48.7 Ų | 48.7 | 33% | 0.33 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | -168.1 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | C248 Y249 | G246-C248 VanDerWaalsContact C-N 3.29Å; G246-C248 PolarHBondContact O-N 3.41Å; G246-Y249 PolarHBondContact N-O 3.09Å |
| 247 | D | 97.8 | Very high | 97.9 | Very high | 172 Ų | 172 | 48.6 Ų | 48.6 | 92% | 0.92 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -34.9 | -174 | -65.3 | -22.3 | 0 | 0 | 0 | 113.4 | ||
| 248 | C | 98.4 | Very high | 97.9 | Very high | 26 Ų | 26 | 51.8 Ų | 51.8 | 18% | 0.176 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -127 | 16.6 | -175.6 | 63.9 | 0 | 0 | 0 | 0 | 113.3 | P213 M215 V216 G246 | P213-C248 HydrophobicContact CG-CB 4.23Å; M215-C248 CarbonylContact C-O 3.43Å; M215-C248 WeakPolarHBondContact CA-O 3.33Å; V216-C248 PolarHBondContact N-O 3.49Å; G246-C248 VanDerWaalsContact C-N 3.29Å; G246-C248 PolarHBondContact O-N 3.41Å |
| 249 | Y | 98.9 | Very high | 97.9 | Very high | 26 Ų | 26 | 51.2 Ų | 51.2 | 10% | 0.102 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153 | 159.1 | 176.9 | 72.5 | -87.1 | 0 | 0 | 0 | 114.7 | L205 V209 V216 V240 N243 G246 | L205-Y249 HydrophobicContact CD1-CD2 4.12Å; L205-Y249 HydrophobicContact CD1-CG 4.02Å; L205-Y249 HydrophobicContact CD2-CD2 4.08Å; L205-Y249 HydrophobicContact CD2-CE2 4.5Å; V209-Y249 HydrophobicContact CG1-CD1 4.44Å; V209-Y249 HydrophobicContact CG2-CD1 3.68Å; V209-Y249 HydrophobicContact CG2-CE1 4.44Å; V209-Y249 HydrophobicContact CG2-CG 4.03Å; V216-Y249 CarbonylContact O-C 3.52Å; V216-Y249 WeakPolarHBondContact O-CA 3.22Å; V240-Y249 HydrophobicContact CG2-CD1 4.41Å; V240-Y249 HydrophobicContact CG2-CD2 4.44Å; V240-Y249 HydrophobicContact CG2-CE1 3.98Å; V240-Y249 HydrophobicContact CG2-CE2 4.02Å; V240-Y249 PolarHBondContact O-OH 3.02Å; N243-Y249 VanDerWaalsContact O-CE2 3.27Å; N243-Y249 WeakPolarHBondContact O-CE2 3.49Å; N243-Y249 PolarHBondContact O-OH 2.64Å; G246-Y249 PolarHBondContact N-O 3.09Å |
| 250 | Q | 98.8 | Very high | 98 | Very high | 42 Ų | 42 | 46.2 Ų | 46.2 | 20% | 0.196 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 146.8 | 168 | 64.8 | -176.1 | -26.9 | 0 | 0 | 110.9 | V216 T217 M218 L244 K245 | V216-Q250 PolarHBondContact O-N 2.57Å; T217-Q250 WeakPolarHBondContact CA-O 3.48Å; T217-Q250 HydrophobicContact CG2-CG 4.03Å; T217-Q250 PolarHBondContact OG1-NE2 2.85Å; T217-Q250 VanDerWaalsContact OG1-NE2 3.14Å; M218-Q250 PolarHBondContact N-O 3.42Å; L244-Q250 CarbonylContact O-C 3.5Å; L244-Q250 WeakPolarHBondContact O-CA 3.29Å; K245-Q250 HydrophobicContact CG-CB 4.1Å |
| 251 | V | 98.9 | Very high | 98 | Very high | 6 Ų | 6 | 51.3 Ų | 51.3 | 4% | 0.036 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 126.5 | 170.4 | -175 | 0 | 0 | 0 | 0 | 108.3 | L205 M218 I226 L244 I253 | L205-V251 HydrophobicContact CD2-CG2 3.74Å; M218-V251 HydrophobicContact CB-CG2 4.33Å; M218-V251 HydrophobicContact CE-CB 4.43Å; M218-V251 HydrophobicContact CE-CG1 3.63Å; M218-V251 HydrophobicContact CE-CG2 3.91Å; M218-V251 CarbonylContact O-C 3.55Å; M218-V251 WeakPolarHBondContact O-CA 3.36Å; I226-V251 HydrophobicContact CD1-CG1 3.81Å; L244-V251 HydrophobicContact CB-CB 4.12Å; L244-V251 HydrophobicContact CD2-CB 4.03Å; L244-V251 HydrophobicContact CD2-CG1 4.28Å; L244-V251 HydrophobicContact CD2-CG2 4.18Å; L244-V251 PolarHBondContact O-N 3Å; V251-I253 HydrophobicContact CG1-CD1 3.89Å |
| 252 | L | 98.8 | Very high | 98.1 | Very high | 24 Ų | 24 | 55.8 Ų | 55.8 | 13% | 0.126 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 124.3 | 174.6 | -55.7 | -177.5 | 0 | 0 | 0 | 108.4 | T217 M218 V219 E220 E254 V259 Y263 | T217-L252 HydrophobicContact CG2-CD1 3.94Å; T217-L252 HydrophobicContact CG2-CG 4.26Å; M218-L252 PolarHBondContact O-N 2.98Å; V219-L252 WeakPolarHBondContact CA-O 3.38Å; V219-L252 HydrophobicContact CG1-CB 4.39Å; V219-L252 HydrophobicContact CG2-CB 4.38Å; V219-L252 HydrophobicContact CG2-CD1 4.26Å; E220-L252 PolarHBondContact N-O 3Å; L252-E254 PolarHBondContact O-N 2.83Å; L252-V259 HydrophobicContact CD1-CG1 4.31Å; L252-Y263 WeakPolarHBondContact CD1-OH 3.17Å |
| 253 | I | 98.6 | Very high | 98.1 | Very high | 58 Ų | 58 | 52.5 Ų | 52.5 | 30% | 0.297 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 75.4 | 179.6 | -47 | -64.5 | 0 | 0 | 0 | 108.7 | E220 Q223 I226 L244 V251 | E220-I253 CarbonylContact O-C 3.6Å; E220-I253 WeakPolarHBondContact O-CA 2.91Å; Q223-I253 HydrophobicContact CB-CG2 4.07Å; I226-I253 HydrophobicContact CD1-CD1 3.24Å; L244-I253 HydrophobicContact CD1-CD1 4.1Å; L244-I253 HydrophobicContact CD1-CG1 4.12Å; V251-I253 HydrophobicContact CG1-CD1 3.89Å |
| 254 | E | 97.6 | Very high | 98.1 | Very high | 83 Ų | 83 | 49 Ų | 49 | 39% | 0.388 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -151.8 | 156.9 | -171.6 | -65.9 | 179.1 | -156 | 0 | 0 | 109.8 | V219 E220 L252 C256 V259 R262 | V219-E254 WeakPolarHBondContact CG1-O 3.37Å; E220-E254 CarbonylContact C-O 3.6Å; E220-E254 PolarHBondContact O-N 2.81Å; L252-E254 PolarHBondContact O-N 2.83Å; E254-C256 PolarHBondContact O-N 3.03Å; E254-V259 HydrophobicContact CB-CG2 4.05Å; E254-R262 IonicContact OE2-CZ 3.74Å; E254-R262 IonicContact OE2-NH1 3.5Å; E254-R262 PolarHBondContact OE2-NH1 3.28Å; E254-R262 IonicContact OE2-NH2 2.97Å; E254-R262 PolarHBondContact OE2-NH2 3.39Å |
| 255 | D | 96.8 | Very high | 98.1 | Very high | 28 Ų | 28 | 55.7 Ų | 55.7 | 15% | 0.15 | 28% | 0.281 | C | S | . | . | trans | -59.5 | 130.2 | 165.7 | 175 | 0.3 | 0 | 0 | 0 | 110 | I221 I257 P258 V259 | I221-D255 HydrophobicContact CD1-CB 3.95Å; I221-D255 HydrophobicContact CG1-CB 4.37Å; D255-I257 VanDerWaalsContact C-N 3.28Å; D255-I257 PolarHBondContact O-N 3.11Å; D255-I257 PolarHBondContact OD1-N 3.1Å; D255-P258 HydrophobicContact CB-CG 4.27Å; D255-P258 WeakPolarHBondContact O-CD 3.37Å; D255-P258 WeakPolarHBondContact OD2-CD 3.27Å; D255-V259 WeakPolarHBondContact O-CG2 3.4Å | ||
| 256 | C | 97.5 | Very high | 98.1 | Very high | 8 Ų | 8 | 54.8 Ų | 54.8 | 5% | 0.054 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -66.6 | -25.3 | -179 | 77.1 | 0 | 0 | 0 | 0 | 113.8 | L197 V219 E254 V259 L260 | L197-C256 HydrophobicContact CB-CB 4.44Å; L197-C256 HydrophobicContact CD2-CB 4.09Å; V219-C256 HydrophobicContact CB-CB 4.29Å; V219-C256 HydrophobicContact CG1-CB 3.96Å; E254-C256 PolarHBondContact O-N 3.03Å; C256-V259 PolarHBondContact O-N 3.42Å; C256-L260 WeakPolarHBondContact O-CB 3.35Å; C256-L260 VanDerWaalsContact O-CG 3.31Å; C256-L260 WeakPolarHBondContact O-CG 3.5Å; C256-L260 PolarHBondContact O-N 2.98Å |
| 257 | I | 96.5 | Very high | 98.1 | Very high | 11 Ų | 11 | 56.2 Ų | 56.2 | 6% | 0.056 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -64.9 | -53.3 | -177.5 | -65.3 | -68.7 | 0 | 0 | 0 | 111.8 | D255 V259 L260 K261 F294 L297 I298 L301 | D255-I257 VanDerWaalsContact C-N 3.28Å; D255-I257 PolarHBondContact O-N 3.11Å; D255-I257 PolarHBondContact OD1-N 3.1Å; I257-V259 VanDerWaalsContact C-N 3.27Å; I257-V259 PolarHBondContact O-N 3.03Å; I257-L260 PolarHBondContact O-N 3.33Å; I257-K261 HydrophobicContact CG2-CD 4.25Å; I257-K261 WeakPolarHBondContact O-CG 3.36Å; I257-K261 PolarHBondContact O-N 3.18Å; I257-F294 HydrophobicContact CD1-CE2 3.78Å; I257-F294 HydrophobicContact CD1-CZ 4.35Å; I257-F294 HydrophobicContact CG1-CE2 3.87Å; I257-F294 HydrophobicContact CG1-CZ 4.16Å; I257-L297 HydrophobicContact CD1-CD2 4.32Å; I257-L297 HydrophobicContact CD1-CG 4.45Å; I257-I298 HydrophobicContact CD1-CG1 3.59Å; I257-L301 HydrophobicContact CD1-CD1 4.24Å; I257-L301 HydrophobicContact CG2-CD1 4.46Å |
| 258 | P | 97.1 | Very high | 98.2 | Very high | 67 Ų | 67 | 51.7 Ų | 51.7 | 44% | 0.435 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -55.4 | -39.8 | 171.2 | -26.9 | 32.9 | 0 | 0 | 0 | 113.6 | D255 K261 R262 | D255-P258 HydrophobicContact CB-CG 4.27Å; D255-P258 WeakPolarHBondContact O-CD 3.37Å; D255-P258 WeakPolarHBondContact OD2-CD 3.27Å; P258-K261 PolarHBondContact O-N 3.27Å; P258-R262 WeakPolarHBondContact O-CB 3.5Å; P258-R262 PolarHBondContact O-N 3.3Å |
| 259 | V | 98.4 | Very high | 98.2 | Very high | 1 Ų | 1 | 54.9 Ų | 54.9 | 1% | 0.006 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -66.6 | -45.8 | -178.7 | 178.7 | 0 | 0 | 0 | 0 | 111.2 | V219 L252 E254 D255 C256 I257 R262 Y263 | V219-V259 HydrophobicContact CG1-CB 4.23Å; V219-V259 HydrophobicContact CG1-CG1 4.45Å; V219-V259 HydrophobicContact CG1-CG2 3.9Å; V219-V259 HydrophobicContact CG2-CG1 4.01Å; L252-V259 HydrophobicContact CD1-CG1 4.31Å; E254-V259 HydrophobicContact CB-CG2 4.05Å; D255-V259 WeakPolarHBondContact O-CG2 3.4Å; C256-V259 PolarHBondContact O-N 3.42Å; I257-V259 VanDerWaalsContact C-N 3.27Å; I257-V259 PolarHBondContact O-N 3.03Å; V259-R262 WeakPolarHBondContact O-CB 3.36Å; V259-R262 PolarHBondContact O-N 3.13Å; V259-Y263 HydrophobicContact CG1-CD2 3.85Å; V259-Y263 HydrophobicContact CG1-CE2 3.35Å; V259-Y263 PolarHBondContact O-N 3.36Å |
| 260 | L | 98.6 | Very high | 98.2 | Very high | 1 Ų | 1 | 53.7 Ų | 53.7 | 1% | 0.005 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -60.6 | -45.3 | 175 | -79 | 170 | 0 | 0 | 0 | 111.8 | L195 L197 C256 I257 R262 Y263 A264 L301 V305 | L195-L260 HydrophobicContact CD2-CD2 3.72Å; L197-L260 HydrophobicContact CD1-CD1 3.94Å; L197-L260 HydrophobicContact CD2-CD1 4.18Å; L197-L260 HydrophobicContact CD2-CD2 4.06Å; L197-L260 HydrophobicContact CD2-CG 4.12Å; C256-L260 WeakPolarHBondContact O-CB 3.35Å; C256-L260 VanDerWaalsContact O-CG 3.31Å; C256-L260 WeakPolarHBondContact O-CG 3.5Å; C256-L260 PolarHBondContact O-N 2.98Å; I257-L260 PolarHBondContact O-N 3.33Å; L260-R262 VanDerWaalsContact C-N 3.29Å; L260-R262 PolarHBondContact O-N 3.03Å; L260-Y263 PolarHBondContact O-N 2.95Å; L260-A264 WeakPolarHBondContact O-CB 3.35Å; L260-A264 PolarHBondContact O-N 2.88Å; L260-L301 HydrophobicContact CB-CB 4Å; L260-L301 HydrophobicContact CB-CD1 4.16Å; L260-L301 HydrophobicContact CD1-CB 4.06Å; L260-L301 HydrophobicContact CG-CB 4.49Å; L260-V305 HydrophobicContact CD2-CG2 3.79Å |
| 261 | K | 98.3 | Very high | 98.2 | Very high | 112 Ų | 112 | 52.2 Ų | 52.2 | 49% | 0.487 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -59 | -41.4 | 175.3 | -73.8 | 173.9 | 179.7 | 172.2 | 0 | 111.5 | I257 P258 K265 L301 | I257-K261 HydrophobicContact CG2-CD 4.25Å; I257-K261 WeakPolarHBondContact O-CG 3.36Å; I257-K261 PolarHBondContact O-N 3.18Å; P258-K261 PolarHBondContact O-N 3.27Å; K261-K265 WeakPolarHBondContact O-CB 3.19Å; K261-K265 PolarHBondContact O-N 3.37Å; K261-K265 VanDerWaalsContact O-N 3.09Å; K261-L301 HydrophobicContact CG-CD1 4.01Å; K261-L301 HydrophobicContact CG-CD2 3.9Å |
| 262 | R | 98.6 | Very high | 98.2 | Very high | 94 Ų | 94 | 52.7 Ų | 52.7 | 36% | 0.355 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -63.4 | -50.8 | 176.5 | 178.3 | 171.7 | 64.3 | -143.6 | 2.7 | 111.4 | E254 P258 V259 L260 A264 K265 E266 | E254-R262 IonicContact OE2-CZ 3.74Å; E254-R262 IonicContact OE2-NH1 3.5Å; E254-R262 PolarHBondContact OE2-NH1 3.28Å; E254-R262 IonicContact OE2-NH2 2.97Å; E254-R262 PolarHBondContact OE2-NH2 3.39Å; P258-R262 WeakPolarHBondContact O-CB 3.5Å; P258-R262 PolarHBondContact O-N 3.3Å; V259-R262 WeakPolarHBondContact O-CB 3.36Å; V259-R262 PolarHBondContact O-N 3.13Å; L260-R262 VanDerWaalsContact C-N 3.29Å; L260-R262 PolarHBondContact O-N 3.03Å; R262-A264 PolarHBondContact O-N 2.91Å; R262-K265 WeakPolarHBondContact O-CB 3.43Å; R262-K265 PolarHBondContact O-N 2.82Å; R262-E266 WeakPolarHBondContact CG-OE1 3.25Å; R262-E266 WeakPolarHBondContact O-CG 2.97Å; R262-E266 PolarHBondContact O-N 2.89Å |
| 263 | Y | 98.7 | Very high | 98.2 | Very high | 10 Ų | 10 | 51.6 Ų | 51.6 | 4% | 0.039 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -62.1 | -41 | 178.6 | -70.1 | -25.9 | 0 | 0 | 0 | 113.3 | L195 L252 V259 L260 K265 E266 G267 R268 F270 | L195-Y263 HydrophobicContact CD1-CE2 4.15Å; L195-Y263 HydrophobicContact CD2-CD2 4.5Å; L252-Y263 WeakPolarHBondContact CD1-OH 3.17Å; V259-Y263 HydrophobicContact CG1-CD2 3.85Å; V259-Y263 HydrophobicContact CG1-CE2 3.35Å; V259-Y263 PolarHBondContact O-N 3.36Å; L260-Y263 PolarHBondContact O-N 2.95Å; Y263-K265 VanDerWaalsContact C-N 3.33Å; Y263-K265 PolarHBondContact O-N 3.05Å; Y263-E266 PolarHBondContact O-N 2.83Å; Y263-G267 PolarHBondContact O-N 2.66Å; Y263-G267 VanDerWaalsContact O-N 3.08Å; Y263-R268 HydrophobicContact CD1-CB 4.37Å; Y263-R268 HydrophobicContact CG-CB 4.47Å; Y263-R268 VanDerWaalsContact CZ-NH1 3.34Å; Y263-R268 PolarHBondContact O-N 3.01Å; Y263-R268 PolarHBondContact OH-NH1 2.97Å; Y263-F270 AromaticContact CD2-CE2 3.85Å; Y263-F270 HydrophobicContact CD2-CE2 3.85Å; Y263-F270 AromaticContact CD2-CZ 3.91Å; Y263-F270 HydrophobicContact CD2-CZ 3.91Å; Y263-F270 HydrophobicContact CE2-CE2 4.31Å; Y263-F270 AromaticContact CE2-CZ 3.9Å; Y263-F270 HydrophobicContact CE2-CZ 3.9Å; Y263-F270 HydrophobicContact CG-CE2 4.32Å |
| 264 | A | 98.3 | Very high | 98.2 | Very high | 34 Ų | 34 | 48.8 Ų | 48.8 | 28% | 0.281 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -61.9 | -41.2 | 175 | 0 | 0 | 0 | 0 | 0 | 111.8 | L260 R262 E266 G267 K304 V305 | L260-A264 WeakPolarHBondContact O-CB 3.35Å; L260-A264 PolarHBondContact O-N 2.88Å; R262-A264 PolarHBondContact O-N 2.91Å; A264-E266 VanDerWaalsContact C-N 3.34Å; A264-G267 PolarHBondContact O-N 2.85Å; A264-K304 HydrophobicContact CB-CB 4.04Å; A264-V305 HydrophobicContact CB-CG1 4.01Å |
| 265 | K | 98.3 | Very high | 98.3 | Very high | 192 Ų | 192 | 45.4 Ų | 45.4 | 84% | 0.835 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -65.8 | -36.1 | 176.5 | -176.3 | -177.6 | 177.8 | -175.5 | 0 | 112.6 | K261 R262 Y263 G267 | K261-K265 WeakPolarHBondContact O-CB 3.19Å; K261-K265 PolarHBondContact O-N 3.37Å; K261-K265 VanDerWaalsContact O-N 3.09Å; R262-K265 WeakPolarHBondContact O-CB 3.43Å; R262-K265 PolarHBondContact O-N 2.82Å; Y263-K265 VanDerWaalsContact C-N 3.33Å; Y263-K265 PolarHBondContact O-N 3.05Å; K265-G267 PolarHBondContact O-N 2.9Å |
| 266 | E | 98.1 | Very high | 98.4 | Very high | 124 Ų | 124 | 44.8 Ų | 44.8 | 58% | 0.579 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -76.6 | -10 | 177 | -70.2 | 168.1 | -172 | 0 | 0 | 113 | R262 Y263 A264 R268 | R262-E266 WeakPolarHBondContact CG-OE1 3.25Å; R262-E266 WeakPolarHBondContact O-CG 2.97Å; R262-E266 PolarHBondContact O-N 2.89Å; Y263-E266 PolarHBondContact O-N 2.83Å; A264-E266 VanDerWaalsContact C-N 3.34Å; E266-R268 VanDerWaalsContact C-N 3.26Å; E266-R268 PolarHBondContact O-N 3.1Å |
| 267 | G | 97.9 | Very high | 98.3 | Very high | 62 Ų | 62 | 45.7 Ų | 45.7 | 64% | 0.639 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 68.9 | 24.8 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113 | Y263 A264 K265 | Y263-G267 PolarHBondContact O-N 2.66Å; Y263-G267 VanDerWaalsContact O-N 3.08Å; A264-G267 PolarHBondContact O-N 2.85Å; K265-G267 PolarHBondContact O-N 2.9Å |
| 268 | R | 98.4 | Very high | 98 | Very high | 76 Ų | 76 | 46.5 Ų | 46.5 | 29% | 0.287 | 24% | 0.237 | S | C | . | . | trans | -77.5 | 127 | 176.4 | -175.5 | 175.7 | -178.6 | -177.6 | -4.8 | 109.5 | T217 Y263 E266 F270 | T217-R268 PolarHBondContact OG1-NH2 2.8Å; Y263-R268 HydrophobicContact CD1-CB 4.37Å; Y263-R268 HydrophobicContact CG-CB 4.47Å; Y263-R268 VanDerWaalsContact CZ-NH1 3.34Å; Y263-R268 PolarHBondContact O-N 3.01Å; Y263-R268 PolarHBondContact OH-NH1 2.97Å; E266-R268 VanDerWaalsContact C-N 3.26Å; E266-R268 PolarHBondContact O-N 3.1Å; R268-F270 HydrophobicContact CG-CE2 4Å; R268-F270 HydrophobicContact CG-CZ 4.1Å; R268-F270 VanDerWaalsContact NE-CZ 3.29Å | ||
| 269 | E | 98.7 | Very high | 97.4 | Very high | 93 Ų | 93 | 45.3 Ų | 45.3 | 44% | 0.435 | 23% | 0.233 | S | C | . | . | trans | -120.4 | 149.7 | 176.9 | -62.8 | -173.1 | 143.9 | 0 | 0 | 112 | V305 K307 | E269-V305 CarbonylContact C-O 3.56Å; E269-V305 WeakPolarHBondContact CA-O 3.31Å; E269-K307 HydrophobicContact CB-CG 3.72Å | ||
| 270 | F | 98.9 | Very high | 96.8 | Very high | 1 Ų | 1 | 50.1 Ų | 50.1 | 0% | 0.004 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 146.4 | -179.2 | -61.6 | -93.7 | 0 | 0 | 0 | 110.5 | D193 L195 Y263 R268 Y272 V273 V305 K307 | D193-F270 HydrophobicContact CB-CD1 4.23Å; L195-F270 HydrophobicContact CB-CB 4.43Å; L195-F270 HydrophobicContact CB-CD1 3.8Å; L195-F270 HydrophobicContact CB-CD2 3.97Å; L195-F270 HydrophobicContact CB-CE1 3.93Å; L195-F270 HydrophobicContact CB-CE2 4.13Å; L195-F270 HydrophobicContact CB-CG 3.81Å; L195-F270 HydrophobicContact CB-CZ 4.09Å; L195-F270 HydrophobicContact CD1-CZ 4.27Å; L195-F270 HydrophobicContact CD2-CD2 4.12Å; L195-F270 HydrophobicContact CD2-CE2 3.91Å; L195-F270 HydrophobicContact CD2-CZ 4.35Å; L195-F270 HydrophobicContact CG-CE2 4.46Å; L195-F270 HydrophobicContact CG-CZ 4.48Å; Y263-F270 AromaticContact CD2-CE2 3.85Å; Y263-F270 HydrophobicContact CD2-CE2 3.85Å; Y263-F270 AromaticContact CD2-CZ 3.91Å; Y263-F270 HydrophobicContact CD2-CZ 3.91Å; Y263-F270 HydrophobicContact CE2-CE2 4.31Å; Y263-F270 AromaticContact CE2-CZ 3.9Å; Y263-F270 HydrophobicContact CE2-CZ 3.9Å; Y263-F270 HydrophobicContact CG-CE2 4.32Å; R268-F270 HydrophobicContact CG-CE2 4Å; R268-F270 HydrophobicContact CG-CZ 4.1Å; R268-F270 VanDerWaalsContact NE-CZ 3.29Å; F270-Y272 VanDerWaalsContact C-N 3.29Å; F270-V273 HydrophobicContact CB-CG2 4.24Å; F270-V305 HydrophobicContact CD2-CB 4.1Å; F270-V305 HydrophobicContact CD2-CG2 4.25Å; F270-V305 WeakPolarHBondContact CD2-O 3.4Å; F270-V305 HydrophobicContact CE2-CB 4.33Å; F270-V305 PolarHBondContact N-O 3.39Å; F270-K307 WeakPolarHBondContact O-CG 3.46Å; F270-K307 PolarHBondContact O-N 3.44Å |
| 271 | D | 98.9 | Very high | 95.8 | Very high | 12 Ų | 12 | 50.5 Ų | 50.5 | 6% | 0.064 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | -37.8 | 172.4 | -62.2 | -80.8 | 0 | 0 | 0 | 111.1 | K192 D193 K307 G310 K311 | K192-D271 HydrophobicContact CB-CB 4.07Å; K192-D271 HydrophobicContact CD-CB 3.71Å; K192-D271 VanDerWaalsContact CD-CG 3.44Å; K192-D271 HydrophobicContact CG-CB 4.39Å; K192-D271 IonicContact NZ-OD1 2.79Å; D193-D271 PolarHBondContact N-OD2 3.01Å; D193-D271 PolarHBondContact O-N 3.14Å; D271-K307 WeakPolarHBondContact OD1-CD 3.49Å; D271-K307 IonicContact OD1-NZ 2.75Å; D271-K307 PolarHBondContact OD1-NZ 2.95Å; D271-K307 IonicContact OD2-NZ 3.67Å; D271-K307 PolarHBondContact OD2-NZ 2.95Å; D271-G310 WeakPolarHBondContact O-CA 3.3Å; D271-K311 PolarHBondContact O-N 2.86Å; D271-K311 VanDerWaalsContact O-N 3.16Å |
| 272 | Y | 98.9 | Very high | 94.8 | Very high | 16 Ų | 16 | 47 Ų | 47 | 6% | 0.063 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 136.6 | 179.2 | -61 | -70.5 | 0 | 0 | 0 | 111.2 | E187 Y189 K192 D193 V194 L195 F270 K311 F313 | E187-Y272 HydrophobicContact CB-CE1 4.22Å; E187-Y272 HydrophobicContact CG-CE1 3.91Å; E187-Y272 WeakPolarHBondContact OE2-CE1 3.37Å; E187-Y272 PolarHBondContact OE2-OH 2.84Å; Y189-Y272 AromaticContact CD1-CD2 3.81Å; Y189-Y272 HydrophobicContact CD1-CD2 3.81Å; Y189-Y272 HydrophobicContact CD1-CE2 4.12Å; Y189-Y272 AromaticContact CE1-CD2 3.64Å; Y189-Y272 HydrophobicContact CE1-CD2 3.64Å; Y189-Y272 HydrophobicContact CE1-CE2 4.13Å; Y189-Y272 AromaticContact CE1-CG 3.98Å; Y189-Y272 HydrophobicContact CE1-CG 3.98Å; K192-Y272 HydrophobicContact CB-CD2 4.25Å; K192-Y272 HydrophobicContact CB-CE2 4.3Å; K192-Y272 HydrophobicContact CD-CE2 4.22Å; K192-Y272 HydrophobicContact CG-CD2 4.41Å; K192-Y272 HydrophobicContact CG-CE2 3.96Å; D193-Y272 PolarHBondContact O-N 2.82Å; V194-Y272 WeakPolarHBondContact CA-O 3.41Å; V194-Y272 HydrophobicContact CG2-CD2 4.33Å; L195-Y272 PolarHBondContact N-O 2.68Å; F270-Y272 VanDerWaalsContact C-N 3.29Å; Y272-K311 WeakPolarHBondContact CA-O 3.35Å; Y272-K311 HydrophobicContact CD1-CB 4.01Å; Y272-K311 HydrophobicContact CE1-CB 4.03Å; Y272-K311 HydrophobicContact CE1-CD 4.5Å; Y272-F313 HydrophobicContact CD1-CD2 4.43Å; Y272-F313 AromaticContact CD1-CE2 3.62Å; Y272-F313 HydrophobicContact CD1-CE2 3.62Å; Y272-F313 HydrophobicContact CD1-CZ 4.48Å; Y272-F313 AromaticContact CE1-CE2 3.97Å; Y272-F313 HydrophobicContact CE1-CE2 3.97Å; Y272-F313 HydrophobicContact CE1-CZ 4.45Å |
| 273 | V | 98.9 | Very high | 93.9 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 122.6 | 167.7 | 179.9 | 0 | 0 | 0 | 0 | 107.4 | L195 L197 F270 V305 L306 K311 Y312 F313 | L195-V273 HydrophobicContact CB-CG2 4.29Å; L195-V273 HydrophobicContact CD2-CG1 4.32Å; L195-V273 HydrophobicContact CD2-CG2 4.44Å; L195-V273 CarbonylContact O-C 3.53Å; L195-V273 WeakPolarHBondContact O-CA 3.13Å; L197-V273 HydrophobicContact CD1-CG1 4.4Å; F270-V273 HydrophobicContact CB-CG2 4.24Å; V273-V305 HydrophobicContact CG2-CG2 4.13Å; V273-L306 HydrophobicContact CB-CD1 4.27Å; V273-L306 HydrophobicContact CG2-CB 4.37Å; V273-L306 HydrophobicContact CG2-CD1 3.84Å; V273-K311 PolarHBondContact N-O 3.46Å; V273-Y312 HydrophobicContact CB-CD2 4.01Å; V273-Y312 HydrophobicContact CG1-CD2 3.87Å; V273-Y312 HydrophobicContact CG1-CE2 4.24Å; V273-Y312 CarbonylContact O-C 3.49Å; V273-Y312 WeakPolarHBondContact O-CA 3.41Å; V273-F313 PolarHBondContact O-N 3.15Å |
| 274 | I | 98.9 | Very high | 92.7 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 113.5 | -179.8 | -53.3 | 177 | 0 | 0 | 0 | 107.3 | I181 M182 Y189 V194 L195 I196 L197 I204 I208 F313 | I181-I274 HydrophobicContact CD1-CG2 4.17Å; I181-I274 HydrophobicContact CG1-CG2 3.85Å; I181-I274 HydrophobicContact CG2-CG2 4.38Å; M182-I274 HydrophobicContact CG-CD1 4.35Å; Y189-I274 HydrophobicContact CE1-CD1 4.49Å; V194-I274 HydrophobicContact CG1-CD1 4.14Å; V194-I274 HydrophobicContact CG1-CG1 4.44Å; L195-I274 PolarHBondContact O-N 3.39Å; I196-I274 CarbonylContact C-O 3.47Å; I196-I274 WeakPolarHBondContact CA-O 3.36Å; I196-I274 HydrophobicContact CG1-CB 4.46Å; L197-I274 PolarHBondContact N-O 2.89Å; I204-I274 HydrophobicContact CD1-CG2 3.9Å; I204-I274 HydrophobicContact CG2-CD1 3.8Å; I208-I274 HydrophobicContact CD1-CD1 3.61Å; I274-F313 CarbonylContact C-O 3.42Å; I274-F313 WeakPolarHBondContact CA-O 3.2Å; I274-F313 HydrophobicContact CG1-CB 4.49Å; I274-F313 HydrophobicContact CG1-CD2 4.28Å; I274-F313 HydrophobicContact CG2-CB 4.44Å |
| 275 | N | 98.8 | Very high | 91.3 | Very high | 11 Ų | 11 | 49.7 Ų | 49.7 | 6% | 0.059 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 109.1 | 174.9 | 179.7 | 0.6 | 0 | 0 | 0 | 109.1 | L197 L277 Y312 F313 T314 | L197-N275 HydrophobicContact CD1-CB 4.31Å; N275-L277 VanDerWaalsContact OD1-CB 3.29Å; N275-L277 WeakPolarHBondContact OD1-CB 3.33Å; N275-L277 VanDerWaalsContact OD1-CD1 3.3Å; N275-L277 WeakPolarHBondContact OD1-CD1 3.18Å; N275-L277 WeakPolarHBondContact OD1-CG 3.49Å; N275-L277 PolarHBondContact OD1-N 3.45Å; N275-L277 VanDerWaalsContact OD1-N 3.12Å; N275-Y312 HydrophobicContact CB-CE2 3.64Å; N275-Y312 WeakPolarHBondContact CB-OH 3.43Å; N275-Y312 PolarHBondContact ND2-OH 2.96Å; N275-F313 PolarHBondContact N-O 3.14Å; N275-T314 WeakPolarHBondContact O-CA 3.37Å; N275-T314 PolarHBondContact O-OG1 3.41Å |
| 276 | D | 98.6 | Very high | 89.2 | Confident | 15 Ų | 15 | 46.8 Ų | 46.8 | 8% | 0.08 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 38.7 | 179.5 | -164.4 | 31.6 | 0 | 0 | 0 | 110.3 | Y177 I181 L197 G199 I204 | Y177-D276 VanDerWaalsContact CE1-OD1 3.3Å; Y177-D276 WeakPolarHBondContact CE1-OD1 3.34Å; Y177-D276 VanDerWaalsContact CZ-OD1 3.3Å; Y177-D276 PolarHBondContact OH-OD1 3.24Å; I181-D276 HydrophobicContact CD1-CB 4.08Å; L197-D276 CarbonylContact O-C 3.5Å; L197-D276 VanDerWaalsContact O-CA 3.29Å; L197-D276 WeakPolarHBondContact O-CA 3.16Å; L197-D276 PolarHBondContact O-N 2.82Å; G199-D276 WeakPolarHBondContact CA-OD2 3.23Å; G199-D276 PolarHBondContact N-O 3.05Å; G199-D276 VanDerWaalsContact N-O 3.12Å; I204-D276 HydrophobicContact CD1-CB 3.65Å; I204-D276 VanDerWaalsContact CD1-CG 3.48Å; I204-D276 WeakPolarHBondContact CD1-OD2 3.34Å |
| 277 | L | 97.3 | Very high | 86.9 | Confident | 28 Ų | 28 | 49 Ų | 49 | 15% | 0.147 | 29% | 0.29 | C | S | . | . | trans | -74.9 | 159.9 | 173.5 | -63.4 | 169.1 | 0 | 0 | 0 | 110.4 | L197 N275 P281 I298 | L197-L277 HydrophobicContact CB-CD1 4.32Å; L197-L277 HydrophobicContact CB-CD2 4.26Å; L197-L277 HydrophobicContact CB-CG 4.09Å; L197-L277 PolarHBondContact O-N 3.5Å; N275-L277 VanDerWaalsContact OD1-CB 3.29Å; N275-L277 WeakPolarHBondContact OD1-CB 3.33Å; N275-L277 VanDerWaalsContact OD1-CD1 3.3Å; N275-L277 WeakPolarHBondContact OD1-CD1 3.18Å; N275-L277 WeakPolarHBondContact OD1-CG 3.49Å; N275-L277 PolarHBondContact OD1-N 3.45Å; N275-L277 VanDerWaalsContact OD1-N 3.12Å; L277-P281 HydrophobicContact CB-CB 4.22Å; L277-P281 HydrophobicContact CB-CG 4.29Å; L277-P281 HydrophobicContact CD1-CB 4.11Å; L277-P281 HydrophobicContact CD1-CG 4.33Å; L277-I298 HydrophobicContact CD1-CD1 3.86Å; L277-I298 HydrophobicContact CD1-CG2 4.15Å | ||
| 278 | T | 89.8 | Confident | 85.1 | Confident | 28 Ų | 28 | 49.3 Ų | 49.3 | 17% | 0.172 | 28% | 0.275 | C | S | . | . | trans | -55.6 | 151.2 | 169.4 | 48.5 | 0 | 0 | 0 | 0 | 111.3 | L164 V280 | L164-T278 HydrophobicContact CB-CG2 4.5Å; L164-T278 HydrophobicContact CD1-CG2 3.88Å; T278-V280 WeakPolarHBondContact CB-O 3.4Å; T278-V280 CarbonylContact O-C 3.58Å; T278-V280 VanDerWaalsContact O-C 3.31Å; T278-V280 PolarHBondContact O-N 3.38Å; T278-V280 VanDerWaalsContact O-N 3.11Å; T278-V280 PolarHBondContact OG1-O 2.89Å | ||
| 279 | A | 84.3 | Confident | 83.2 | Confident | 42 Ų | 42 | 53.7 Ų | 53.7 | 35% | 0.347 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -51.9 | -39.3 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 280 | V | 84.5 | Confident | 82.4 | Confident | 101 Ų | 101 | 51.5 Ų | 51.5 | 61% | 0.612 | 30% | 0.299 | S | S | * | . | S | Bend | trans | -105 | 108.3 | 160.5 | -177.7 | 0 | 0 | 0 | 0 | 106.9 | T278 | T278-V280 WeakPolarHBondContact CB-O 3.4Å; T278-V280 CarbonylContact O-C 3.58Å; T278-V280 VanDerWaalsContact O-C 3.31Å; T278-V280 PolarHBondContact O-N 3.38Å; T278-V280 VanDerWaalsContact O-N 3.11Å; T278-V280 PolarHBondContact OG1-O 2.89Å |
| 281 | P | 79.1 | Confident | 81.7 | Confident | 9 Ų | 9 | 54.9 Ų | 54.9 | 6% | 0.058 | 32% | 0.32 | C | S | . | . | trans | -64.6 | 144.4 | -179.2 | -18.2 | 30 | 0 | 0 | 0 | 110.8 | L277 S283 F294 L295 I298 | L277-P281 HydrophobicContact CB-CB 4.22Å; L277-P281 HydrophobicContact CB-CG 4.29Å; L277-P281 HydrophobicContact CD1-CB 4.11Å; L277-P281 HydrophobicContact CD1-CG 4.33Å; P281-S283 PolarHBondContact O-N 3.25Å; P281-F294 HydrophobicContact CB-CD1 4.22Å; P281-F294 HydrophobicContact CB-CE1 3.63Å; P281-F294 HydrophobicContact CB-CZ 4.39Å; P281-F294 HydrophobicContact CG-CD1 4.41Å; P281-F294 HydrophobicContact CG-CE1 4.28Å; P281-L295 HydrophobicContact CG-CD2 3.91Å; P281-I298 HydrophobicContact CB-CD1 3.91Å; P281-I298 HydrophobicContact CG-CD1 3.69Å | ||
| 282 | I | 76.4 | Confident | 81.2 | Confident | 40 Ų | 40 | 57.9 Ų | 57.9 | 21% | 0.205 | 33% | 0.331 | C | S | . | . | trans | -71.3 | 130.6 | 178 | -65.8 | 156.2 | 0 | 0 | 0 | 109.1 | Y147 I221 | Y147-I282 HydrophobicContact CD1-CG2 4.11Å; I221-I282 HydrophobicContact CD1-CG2 4.14Å; I221-I282 HydrophobicContact CG2-CD1 4.09Å | ||
| 283 | S | 80.4 | Confident | 80.8 | Confident | 40 Ų | 40 | 61.5 Ų | 61.5 | 28% | 0.28 | 35% | 0.348 | S | S | . | . | trans | -118.3 | 136.6 | 170.2 | -175.7 | 0 | 0 | 0 | 0 | 111 | P281 S285 E288 | P281-S283 PolarHBondContact O-N 3.25Å; S283-S285 VanDerWaalsContact C-N 3.33Å; S283-S285 PolarHBondContact OG-N 3.2Å; S283-S285 VanDerWaalsContact OG-N 3.1Å; S283-S285 PolarHBondContact OG-O 2.9Å; S283-E288 VanDerWaalsContact CB-CD 3.44Å; S283-E288 WeakPolarHBondContact CB-OE1 3.5Å; S283-E288 WeakPolarHBondContact CB-OE2 3.48Å; S283-E288 PolarHBondContact OG-OE1 3.06Å; S283-E288 PolarHBondContact OG-OE2 3.49Å | ||
| 284 | T | 73.9 | Confident | 80.4 | Confident | 92 Ų | 92 | 62 Ų | 62 | 56% | 0.564 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -91.7 | 3.1 | 170.5 | 63.8 | 0 | 0 | 0 | 0 | 112.4 | Y147 I221 | Y147-T284 HydrophobicContact CE1-CG2 4.34Å; I221-T284 HydrophobicContact CD1-CG2 4.09Å |
| 285 | S | 67.3 | Low | 80.1 | Confident | 62 Ų | 62 | 63.2 Ų | 63.2 | 43% | 0.434 | 36% | 0.356 | S | S | . | . | trans | -111.4 | 134.1 | -175.5 | -59.1 | 0 | 0 | 0 | 0 | 111.4 | S283 E287 | S283-S285 VanDerWaalsContact C-N 3.33Å; S283-S285 PolarHBondContact OG-N 3.2Å; S283-S285 VanDerWaalsContact OG-N 3.1Å; S283-S285 PolarHBondContact OG-O 2.9Å; S285-E287 PolarHBondContact O-N 3.49Å | ||
| 286 | P | 55.1 | Low | 80 | Confident | 130 Ų | 130 | 65.7 Ų | 65.7 | 84% | 0.844 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.7 | 3 | 177.1 | 31.2 | -34.5 | 0 | 0 | 0 | 114.1 | ||
| 287 | E | 50.8 | Low | 79.8 | Confident | 171 Ų | 171 | 67.6 Ų | 67.6 | 80% | 0.799 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.6 | 9.4 | -170.3 | -62.8 | -173.8 | 172.5 | 0 | 0 | 114.4 | S285 D289 | S285-E287 PolarHBondContact O-N 3.49Å; E287-D289 PolarHBondContact O-N 2.86Å |
| 288 | E | 60.3 | Low | 79.8 | Confident | 69 Ų | 69 | 66.3 Ų | 66.3 | 32% | 0.322 | 37% | 0.368 | S | S | . | . | trans | -93.3 | 89.1 | -178.7 | -74.1 | 166.1 | -152.9 | 0 | 0 | 111.1 | S283 S290 F294 | S283-E288 VanDerWaalsContact CB-CD 3.44Å; S283-E288 WeakPolarHBondContact CB-OE1 3.5Å; S283-E288 WeakPolarHBondContact CB-OE2 3.48Å; S283-E288 PolarHBondContact OG-OE1 3.06Å; S283-E288 PolarHBondContact OG-OE2 3.49Å; E288-S290 PolarHBondContact O-N 3.03Å; E288-F294 VanDerWaalsContact CD-CG 3.41Å; E288-F294 HydrophobicContact CG-CB 4.24Å; E288-F294 HydrophobicContact CG-CD2 4.05Å; E288-F294 HydrophobicContact CG-CG 4.2Å; E288-F294 WeakPolarHBondContact OE1-CD2 3.24Å; E288-F294 WeakPolarHBondContact OE1-CE2 3.33Å; E288-F294 WeakPolarHBondContact OE1-CZ 3.15Å; E288-F294 WeakPolarHBondContact OE2-CD1 3.47Å; E288-F294 WeakPolarHBondContact OE2-CD2 3.41Å; E288-F294 WeakPolarHBondContact OE2-CE1 3.44Å; E288-F294 WeakPolarHBondContact OE2-CG 3.37Å | ||
| 289 | D | 58 | Low | 80.2 | Confident | 167 Ų | 167 | 65.1 Ų | 65.1 | 89% | 0.893 | 36% | 0.36 | S | S | * | . | S | Bend | trans | -67.5 | -12.3 | -179.4 | -69.5 | -34.2 | 0 | 0 | 0 | 113.6 | E287 | E287-D289 PolarHBondContact O-N 2.86Š|
| 290 | S | 80.9 | Confident | 80.9 | Confident | 48 Ų | 48 | 64.1 Ų | 64.1 | 34% | 0.336 | 35% | 0.349 | S | S | . | . | trans | -159 | 135.1 | 179.7 | 174.4 | 0 | 0 | 0 | 0 | 113.4 | E288 W292 E293 F294 | E288-S290 PolarHBondContact O-N 3.03Å; S290-W292 PolarHBondContact O-N 3.29Å; S290-W292 PolarHBondContact OG-N 2.9Å; S290-E293 PolarHBondContact O-N 2.81Å; S290-E293 VanDerWaalsContact O-N 3.16Å; S290-F294 PolarHBondContact O-N 2.86Å | ||
| 291 | T | 84.6 | Confident | 81.5 | Confident | 72 Ų | 72 | 59.8 Ų | 59.8 | 44% | 0.442 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -53 | -39.1 | 173.9 | -53.9 | 0 | 0 | 0 | 0 | 112.7 | F294 L295 | T291-F294 PolarHBondContact O-N 2.89Å; T291-L295 HydrophobicContact CG2-CD1 4.4Å; T291-L295 WeakPolarHBondContact O-CG 3.44Å; T291-L295 PolarHBondContact O-N 2.91Å |
| 292 | W | 89 | Confident | 82.5 | Confident | 75 Ų | 75 | 59.4 Ų | 59.4 | 28% | 0.284 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -69.6 | -37.3 | -178.5 | -60.3 | 112.4 | 0 | 0 | 0 | 112.7 | S290 F294 L295 R296 A324 L327 Q331 | S290-W292 PolarHBondContact O-N 3.29Å; S290-W292 PolarHBondContact OG-N 2.9Å; W292-F294 VanDerWaalsContact C-N 3.28Å; W292-F294 PolarHBondContact O-N 2.83Å; W292-L295 HydrophobicContact CE3-CD1 3.91Å; W292-L295 HydrophobicContact CZ3-CD1 3.99Å; W292-L295 PolarHBondContact O-N 2.81Å; W292-R296 WeakPolarHBondContact O-CB 3.42Å; W292-R296 PolarHBondContact O-N 2.91Å; W292-A324 HydrophobicContact CH2-CB 4.13Å; W292-A324 VanDerWaalsContact CH2-O 3.25Å; W292-A324 WeakPolarHBondContact CH2-O 3.37Å; W292-L327 HydrophobicContact CD2-CB 4.04Å; W292-L327 HydrophobicContact CE3-CB 4.09Å; W292-L327 HydrophobicContact CH2-CB 3.65Å; W292-L327 HydrophobicContact CH2-CD1 4.42Å; W292-L327 HydrophobicContact CZ2-CB 3.57Å; W292-L327 HydrophobicContact CZ2-CD1 3.59Å; W292-L327 HydrophobicContact CZ2-CG 4.23Å; W292-L327 HydrophobicContact CZ3-CB 3.91Å; W292-Q331 HydrophobicContact CB-CG 4.47Å; W292-Q331 HydrophobicContact CE3-CG 4.49Å |
| 293 | E | 89.8 | Confident | 83.5 | Confident | 92 Ų | 92 | 57.5 Ų | 57.5 | 43% | 0.43 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -66.5 | -35.2 | 175.4 | -72.8 | -60.7 | 144.1 | 0 | 0 | 111.3 | S290 R296 L297 | S290-E293 PolarHBondContact O-N 2.81Å; S290-E293 VanDerWaalsContact O-N 3.16Å; E293-R296 PolarHBondContact O-N 2.74Å; E293-R296 IonicContact OE1-NE 2.78Å; E293-R296 IonicContact OE2-CZ 3.58Å; E293-R296 IonicContact OE2-NE 3.26Å; E293-R296 PolarHBondContact OE2-NE 3.32Å; E293-R296 IonicContact OE2-NH2 2.66Å; E293-R296 PolarHBondContact OE2-NH2 3.15Å; E293-L297 WeakPolarHBondContact O-CB 3.33Å; E293-L297 PolarHBondContact O-N 3.49Å |
| 294 | F | 90.7 | Very high | 84.4 | Confident | 10 Ų | 10 | 59.2 Ų | 59.2 | 4% | 0.044 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -68.9 | -44.3 | 175.6 | -172.3 | -139.8 | 0 | 0 | 0 | 112.4 | I257 P281 E288 S290 T291 W292 R296 L297 I298 | I257-F294 HydrophobicContact CD1-CE2 3.78Å; I257-F294 HydrophobicContact CD1-CZ 4.35Å; I257-F294 HydrophobicContact CG1-CE2 3.87Å; I257-F294 HydrophobicContact CG1-CZ 4.16Å; P281-F294 HydrophobicContact CB-CD1 4.22Å; P281-F294 HydrophobicContact CB-CE1 3.63Å; P281-F294 HydrophobicContact CB-CZ 4.39Å; P281-F294 HydrophobicContact CG-CD1 4.41Å; P281-F294 HydrophobicContact CG-CE1 4.28Å; E288-F294 VanDerWaalsContact CD-CG 3.41Å; E288-F294 HydrophobicContact CG-CB 4.24Å; E288-F294 HydrophobicContact CG-CD2 4.05Å; E288-F294 HydrophobicContact CG-CG 4.2Å; E288-F294 WeakPolarHBondContact OE1-CD2 3.24Å; E288-F294 WeakPolarHBondContact OE1-CE2 3.33Å; E288-F294 WeakPolarHBondContact OE1-CZ 3.15Å; E288-F294 WeakPolarHBondContact OE2-CD1 3.47Å; E288-F294 WeakPolarHBondContact OE2-CD2 3.41Å; E288-F294 WeakPolarHBondContact OE2-CE1 3.44Å; E288-F294 WeakPolarHBondContact OE2-CG 3.37Å; S290-F294 PolarHBondContact O-N 2.86Å; T291-F294 PolarHBondContact O-N 2.89Å; W292-F294 VanDerWaalsContact C-N 3.28Å; W292-F294 PolarHBondContact O-N 2.83Å; F294-R296 VanDerWaalsContact C-N 3.31Å; F294-R296 PolarHBondContact O-N 2.82Å; F294-L297 HydrophobicContact CD2-CD2 4.22Å; F294-L297 HydrophobicContact CE2-CD2 4.45Å; F294-L297 WeakPolarHBondContact O-CB 3.31Å; F294-L297 PolarHBondContact O-N 2.81Å; F294-L297 VanDerWaalsContact O-N 3.16Å; F294-I298 HydrophobicContact CD1-CD1 4.31Å; F294-I298 HydrophobicContact CD2-CD1 4.48Å; F294-I298 HydrophobicContact CE1-CD1 4.18Å; F294-I298 HydrophobicContact CE2-CD1 4.3Å; F294-I298 HydrophobicContact CE2-CG1 4.43Å; F294-I298 HydrophobicContact CG-CD1 4.48Å; F294-I298 HydrophobicContact CZ-CD1 4.15Å; F294-I298 WeakPolarHBondContact O-CG1 3.14Å; F294-I298 PolarHBondContact O-N 3.26Å |
| 295 | L | 93.3 | Very high | 85.6 | Confident | 25 Ų | 25 | 54.9 Ų | 54.9 | 13% | 0.131 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -59.4 | -42.6 | 172.4 | -68.5 | 175.5 | 0 | 0 | 0 | 111.5 | P281 T291 W292 L297 I298 L299 | P281-L295 HydrophobicContact CG-CD2 3.91Å; T291-L295 HydrophobicContact CG2-CD1 4.4Å; T291-L295 WeakPolarHBondContact O-CG 3.44Å; T291-L295 PolarHBondContact O-N 2.91Å; W292-L295 HydrophobicContact CE3-CD1 3.91Å; W292-L295 HydrophobicContact CZ3-CD1 3.99Å; W292-L295 PolarHBondContact O-N 2.81Å; L295-L297 VanDerWaalsContact C-N 3.34Å; L295-L297 PolarHBondContact O-N 2.89Å; L295-I298 PolarHBondContact O-N 3.42Å; L295-L299 WeakPolarHBondContact O-CB 3.37Å; L295-L299 WeakPolarHBondContact O-CG 3.33Å; L295-L299 PolarHBondContact O-N 3Å |
| 296 | R | 95.4 | Very high | 87.1 | Confident | 64 Ų | 64 | 51.9 Ų | 51.9 | 24% | 0.242 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61.7 | -40.5 | 175.1 | -169.5 | -173.3 | 63.2 | 71.1 | 5.5 | 111.9 | W292 E293 F294 L299 D300 Q331 H334 L335 | W292-R296 WeakPolarHBondContact O-CB 3.42Å; W292-R296 PolarHBondContact O-N 2.91Å; E293-R296 PolarHBondContact O-N 2.74Å; E293-R296 IonicContact OE1-NE 2.78Å; E293-R296 IonicContact OE2-CZ 3.58Å; E293-R296 IonicContact OE2-NE 3.26Å; E293-R296 PolarHBondContact OE2-NE 3.32Å; E293-R296 IonicContact OE2-NH2 2.66Å; E293-R296 PolarHBondContact OE2-NH2 3.15Å; F294-R296 VanDerWaalsContact C-N 3.31Å; F294-R296 PolarHBondContact O-N 2.82Å; R296-L299 PolarHBondContact O-N 3.29Å; R296-D300 VanDerWaalsContact O-CB 3.31Å; R296-D300 WeakPolarHBondContact O-CB 3.38Å; R296-D300 PolarHBondContact O-N 3.41Å; R296-Q331 HydrophobicContact CB-CB 4.15Å; R296-Q331 HydrophobicContact CB-CG 4.31Å; R296-Q331 HydrophobicContact CG-CB 4.32Å; R296-H334 HydrophobicContact CG-CB 4.47Å; R296-L335 HydrophobicContact CG-CD2 4.23Å |
| 297 | L | 95.6 | Very high | 89.2 | Confident | 55 Ų | 55 | 48.1 Ų | 48.1 | 29% | 0.288 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -59.9 | -46.8 | 175.4 | 175 | 64.1 | 0 | 0 | 0 | 111.4 | I257 E293 F294 L295 D300 L301 | I257-L297 HydrophobicContact CD1-CD2 4.32Å; I257-L297 HydrophobicContact CD1-CG 4.45Å; E293-L297 WeakPolarHBondContact O-CB 3.33Å; E293-L297 PolarHBondContact O-N 3.49Å; F294-L297 HydrophobicContact CD2-CD2 4.22Å; F294-L297 HydrophobicContact CE2-CD2 4.45Å; F294-L297 WeakPolarHBondContact O-CB 3.31Å; F294-L297 PolarHBondContact O-N 2.81Å; F294-L297 VanDerWaalsContact O-N 3.16Å; L295-L297 VanDerWaalsContact C-N 3.34Å; L295-L297 PolarHBondContact O-N 2.89Å; L297-D300 PolarHBondContact O-N 2.92Å; L297-L301 HydrophobicContact CD1-CD1 3.87Å; L297-L301 HydrophobicContact CD1-CG 4.11Å; L297-L301 HydrophobicContact CG-CD1 4.04Å; L297-L301 WeakPolarHBondContact O-CB 3.43Å; L297-L301 VanDerWaalsContact O-CG 3.31Å; L297-L301 WeakPolarHBondContact O-CG 3.43Å; L297-L301 PolarHBondContact O-N 2.92Å |
| 298 | I | 96.9 | Very high | 91.4 | Very high | 1 Ų | 1 | 43.5 Ų | 43.5 | 1% | 0.005 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61.8 | -46.5 | 177.6 | -66 | 160.4 | 0 | 0 | 0 | 110.4 | L197 I257 L277 P281 F294 L295 L301 S302 | L197-I298 HydrophobicContact CD1-CG2 4.16Å; I257-I298 HydrophobicContact CD1-CG1 3.59Å; L277-I298 HydrophobicContact CD1-CD1 3.86Å; L277-I298 HydrophobicContact CD1-CG2 4.15Å; P281-I298 HydrophobicContact CB-CD1 3.91Å; P281-I298 HydrophobicContact CG-CD1 3.69Å; F294-I298 HydrophobicContact CD1-CD1 4.31Å; F294-I298 HydrophobicContact CD2-CD1 4.48Å; F294-I298 HydrophobicContact CE1-CD1 4.18Å; F294-I298 HydrophobicContact CE2-CD1 4.3Å; F294-I298 HydrophobicContact CE2-CG1 4.43Å; F294-I298 HydrophobicContact CG-CD1 4.48Å; F294-I298 HydrophobicContact CZ-CD1 4.15Å; F294-I298 WeakPolarHBondContact O-CG1 3.14Å; F294-I298 PolarHBondContact O-N 3.26Å; L295-I298 PolarHBondContact O-N 3.42Å; I298-L301 PolarHBondContact O-N 3.09Å; I298-S302 VanDerWaalsContact O-CB 3.23Å; I298-S302 WeakPolarHBondContact O-CB 3.46Å; I298-S302 PolarHBondContact O-N 3.11Å; I298-S302 PolarHBondContact O-OG 2.98Å |
| 299 | L | 98.2 | Very high | 93.2 | Very high | 2 Ų | 2 | 46.5 Ų | 46.5 | 1% | 0.01 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -59.2 | -48.2 | 177.2 | -74.6 | 166.7 | 0 | 0 | 0 | 111.7 | L295 R296 L301 S302 M303 Y312 Y328 Q331 L332 L335 | L295-L299 WeakPolarHBondContact O-CB 3.37Å; L295-L299 WeakPolarHBondContact O-CG 3.33Å; L295-L299 PolarHBondContact O-N 3Å; R296-L299 PolarHBondContact O-N 3.29Å; L299-L301 PolarHBondContact O-N 2.96Å; L299-S302 PolarHBondContact O-N 3.25Å; L299-M303 WeakPolarHBondContact O-CG 3.49Å; L299-M303 PolarHBondContact O-N 3.3Å; L299-Y312 HydrophobicContact CD2-CE1 3.79Å; L299-Y328 HydrophobicContact CD1-CE2 4.06Å; L299-Q331 HydrophobicContact CD1-CB 4.19Å; L299-L332 HydrophobicContact CD1-CD2 4Å; L299-L332 HydrophobicContact CD2-CD2 3.94Å; L299-L335 HydrophobicContact CB-CD1 4.28Å; L299-L335 HydrophobicContact CB-CD2 3.67Å |
| 300 | D | 98.3 | Very high | 95.2 | Very high | 21 Ų | 21 | 38.7 Ų | 38.7 | 11% | 0.112 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -64.6 | -42.7 | -177.4 | -169.2 | 52.1 | 0 | 0 | 0 | 111.8 | R296 L297 M303 K304 L335 Y336 | R296-D300 VanDerWaalsContact O-CB 3.31Å; R296-D300 WeakPolarHBondContact O-CB 3.38Å; R296-D300 PolarHBondContact O-N 3.41Å; L297-D300 PolarHBondContact O-N 2.92Å; D300-M303 PolarHBondContact O-N 3.47Å; D300-K304 WeakPolarHBondContact O-CG 3.37Å; D300-K304 PolarHBondContact O-N 3.29Å; D300-K304 VanDerWaalsContact O-N 3.13Å; D300-K304 VanDerWaalsContact OD2-CE 3.25Å; D300-K304 WeakPolarHBondContact OD2-CE 3.41Å; D300-K304 IonicContact OD2-NZ 3.91Å; D300-K304 PolarHBondContact OD2-NZ 2.78Å; D300-L335 HydrophobicContact CB-CD2 4.17Å; D300-Y336 VanDerWaalsContact OD1-CB 3.3Å; D300-Y336 WeakPolarHBondContact OD1-CB 3.33Å; D300-Y336 WeakPolarHBondContact OD1-CD1 3.45Å; D300-Y336 PolarHBondContact OD1-N 2.8Å |
| 301 | L | 98.5 | Very high | 96 | Very high | 11 Ų | 11 | 39.4 Ų | 39.4 | 6% | 0.058 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -66 | -41.3 | 174.6 | -74 | 174.9 | 0 | 0 | 0 | 112.2 | I257 L260 K261 L297 I298 L299 M303 K304 V305 | I257-L301 HydrophobicContact CD1-CD1 4.24Å; I257-L301 HydrophobicContact CG2-CD1 4.46Å; L260-L301 HydrophobicContact CB-CB 4Å; L260-L301 HydrophobicContact CB-CD1 4.16Å; L260-L301 HydrophobicContact CD1-CB 4.06Å; L260-L301 HydrophobicContact CG-CB 4.49Å; K261-L301 HydrophobicContact CG-CD1 4.01Å; K261-L301 HydrophobicContact CG-CD2 3.9Å; L297-L301 HydrophobicContact CD1-CD1 3.87Å; L297-L301 HydrophobicContact CD1-CG 4.11Å; L297-L301 HydrophobicContact CG-CD1 4.04Å; L297-L301 WeakPolarHBondContact O-CB 3.43Å; L297-L301 VanDerWaalsContact O-CG 3.31Å; L297-L301 WeakPolarHBondContact O-CG 3.43Å; L297-L301 PolarHBondContact O-N 2.92Å; I298-L301 PolarHBondContact O-N 3.09Å; L299-L301 PolarHBondContact O-N 2.96Å; L301-M303 VanDerWaalsContact C-N 3.35Å; L301-M303 PolarHBondContact O-N 3.25Å; L301-K304 WeakPolarHBondContact O-CB 3.47Å; L301-K304 PolarHBondContact O-N 3.47Å; L301-K304 VanDerWaalsContact O-N 3.16Å; L301-V305 PolarHBondContact O-N 2.79Å |
| 302 | S | 98.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -61.7 | -43.3 | 176.6 | -63.5 | 0 | 0 | 0 | 0 | 111.3 | I298 L299 K304 V305 L306 | I298-S302 VanDerWaalsContact O-CB 3.23Å; I298-S302 WeakPolarHBondContact O-CB 3.46Å; I298-S302 PolarHBondContact O-N 3.11Å; I298-S302 PolarHBondContact O-OG 2.98Å; L299-S302 PolarHBondContact O-N 3.25Å; S302-K304 VanDerWaalsContact C-N 3.3Å; S302-K304 PolarHBondContact O-N 3.13Å; S302-V305 WeakPolarHBondContact O-CG2 3.19Å; S302-V305 PolarHBondContact O-N 2.81Å; S302-L306 WeakPolarHBondContact O-CB 3.2Å; S302-L306 PolarHBondContact O-N 2.91Å; S302-L306 VanDerWaalsContact O-N 3.08Å |
| 303 | M | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -63.2 | -35.6 | 175.1 | -68.8 | -54.5 | 97.2 | 0 | 0 | 111.9 | L299 D300 L301 V305 L306 Y312 L335 Y336 V339 V360 K362 | L299-M303 WeakPolarHBondContact O-CG 3.49Å; L299-M303 PolarHBondContact O-N 3.3Å; D300-M303 PolarHBondContact O-N 3.47Å; L301-M303 VanDerWaalsContact C-N 3.35Å; L301-M303 PolarHBondContact O-N 3.25Å; M303-V305 PolarHBondContact O-N 2.85Å; M303-L306 HydrophobicContact CE-CD2 3.87Å; M303-L306 PolarHBondContact O-N 2.84Å; M303-L306 HydrophobicContact SD-CD2 4.01Å; M303-Y312 VanDerWaalsContact CE-CB 3.43Å; M303-Y312 HydrophobicContact CE-CD1 4.39Å; M303-Y312 HydrophobicContact CE-CD2 3.87Å; M303-Y312 HydrophobicContact CE-CG 3.67Å; M303-L335 HydrophobicContact CG-CD1 3.72Å; M303-Y336 HydrophobicContact CB-CD1 4.14Å; M303-Y336 HydrophobicContact CB-CE1 3.53Å; M303-Y336 PolarHBondContact O-OH 2.71Å; M303-V339 HydrophobicContact CG-CG1 4.18Å; M303-V339 HydrophobicContact SD-CG1 3.84Å; M303-V360 HydrophobicContact SD-CG1 4.4Å; M303-K362 WeakPolarHBondContact O-CE 3.47Å; M303-K362 PolarHBondContact O-NZ 2.86Å |
| 304 | K | 98.6 | Very high | 97.6 | Very high | 77 Ų | 77 | 28.4 Ų | 28.4 | 34% | 0.335 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -65.1 | -26.8 | 178.9 | -75.1 | 169.6 | -170.6 | 159.6 | 0 | 113.4 | A264 D300 L301 S302 Y336 | A264-K304 HydrophobicContact CB-CB 4.04Å; D300-K304 WeakPolarHBondContact O-CG 3.37Å; D300-K304 PolarHBondContact O-N 3.29Å; D300-K304 VanDerWaalsContact O-N 3.13Å; D300-K304 VanDerWaalsContact OD2-CE 3.25Å; D300-K304 WeakPolarHBondContact OD2-CE 3.41Å; D300-K304 IonicContact OD2-NZ 3.91Å; D300-K304 PolarHBondContact OD2-NZ 2.78Å; L301-K304 WeakPolarHBondContact O-CB 3.47Å; L301-K304 PolarHBondContact O-N 3.47Å; L301-K304 VanDerWaalsContact O-N 3.16Å; S302-K304 VanDerWaalsContact C-N 3.3Å; S302-K304 PolarHBondContact O-N 3.13Å; K304-Y336 HydrophobicContact CB-CE1 4.27Å; K304-Y336 HydrophobicContact CG-CD1 3.68Å; K304-Y336 HydrophobicContact CG-CE1 3.51Å; K304-Y336 HydrophobicContact CG-CE2 4.44Å; K304-Y336 HydrophobicContact CG-CG 4.21Å |
| 305 | V | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.8 | 3.3 | 177.4 | -56.3 | 0 | 0 | 0 | 0 | 112.7 | L195 L260 A264 E269 F270 V273 L301 S302 M303 | L195-V305 HydrophobicContact CD2-CG2 3.96Å; L260-V305 HydrophobicContact CD2-CG2 3.79Å; A264-V305 HydrophobicContact CB-CG1 4.01Å; E269-V305 CarbonylContact C-O 3.56Å; E269-V305 WeakPolarHBondContact CA-O 3.31Å; F270-V305 HydrophobicContact CD2-CB 4.1Å; F270-V305 HydrophobicContact CD2-CG2 4.25Å; F270-V305 WeakPolarHBondContact CD2-O 3.4Å; F270-V305 HydrophobicContact CE2-CB 4.33Å; F270-V305 PolarHBondContact N-O 3.39Å; V273-V305 HydrophobicContact CG2-CG2 4.13Å; L301-V305 PolarHBondContact O-N 2.79Å; S302-V305 WeakPolarHBondContact O-CG2 3.19Å; S302-V305 PolarHBondContact O-N 2.81Å; M303-V305 PolarHBondContact O-N 2.85Å |
| 306 | L | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 137.4 | 174.5 | -171.3 | 67.9 | 0 | 0 | 0 | 109.7 | V273 S302 M303 K311 K362 | V273-L306 HydrophobicContact CB-CD1 4.27Å; V273-L306 HydrophobicContact CG2-CB 4.37Å; V273-L306 HydrophobicContact CG2-CD1 3.84Å; S302-L306 WeakPolarHBondContact O-CB 3.2Å; S302-L306 PolarHBondContact O-N 2.91Å; S302-L306 VanDerWaalsContact O-N 3.08Å; M303-L306 HydrophobicContact CE-CD2 3.87Å; M303-L306 PolarHBondContact O-N 2.84Å; M303-L306 HydrophobicContact SD-CD2 4.01Å; L306-K311 WeakPolarHBondContact CD1-O 3.4Å; L306-K362 WeakPolarHBondContact O-CE 3.33Å; L306-K362 PolarHBondContact O-NZ 2.85Å |
| 307 | K | 98.7 | Very high | 98.3 | Very high | 50 Ų | 50 | 27.3 Ų | 27.3 | 22% | 0.217 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61 | 158.9 | 170.2 | -73.3 | 179.7 | -169.9 | 171.6 | 0 | 111.4 | E269 F270 D271 D309 G310 | E269-K307 HydrophobicContact CB-CG 3.72Å; F270-K307 WeakPolarHBondContact O-CG 3.46Å; F270-K307 PolarHBondContact O-N 3.44Å; D271-K307 WeakPolarHBondContact OD1-CD 3.49Å; D271-K307 IonicContact OD1-NZ 2.75Å; D271-K307 PolarHBondContact OD1-NZ 2.95Å; D271-K307 IonicContact OD2-NZ 3.67Å; D271-K307 PolarHBondContact OD2-NZ 2.95Å; K307-D309 PolarHBondContact O-N 2.83Å; K307-G310 PolarHBondContact O-N 2.95Å; K307-G310 VanDerWaalsContact O-N 3.1Å |
| 308 | Q | 98.2 | Very high | 98.4 | Very high | 75 Ų | 75 | 24.7 Ų | 24.7 | 35% | 0.35 | 13% | 0.125 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.5 | -32.9 | 179.4 | -177.5 | 60.9 | 62.7 | 0 | 0 | 113.6 | K363 | Q308-K363 PolarHBondContact NE2-O 3.24Å |
| 309 | D | 98.1 | Very high | 98.5 | Very high | 131 Ų | 131 | 26.6 Ų | 26.6 | 70% | 0.701 | 14% | 0.136 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 6.7 | 177 | 63.6 | -26 | 0 | 0 | 0 | 113.1 | K307 | K307-D309 PolarHBondContact O-N 2.83Å |
| 310 | G | 98.6 | Very high | 98.5 | Very high | 4 Ų | 4 | 31.1 Ų | 31.1 | 4% | 0.041 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 169.3 | 179 | 0 | 0 | 0 | 0 | 0 | 113.4 | D271 K307 | D271-G310 WeakPolarHBondContact O-CA 3.3Å; K307-G310 PolarHBondContact O-N 2.95Å; K307-G310 VanDerWaalsContact O-N 3.1Å |
| 311 | K | 98.9 | Very high | 98.5 | Very high | 63 Ų | 63 | 32.7 Ų | 32.7 | 27% | 0.274 | 17% | 0.169 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 145.7 | 173.8 | -66.3 | 177.3 | -174.7 | 154.3 | 0 | 112.1 | E187 D271 Y272 V273 L306 F313 T359 W361 | E187-K311 IonicContact OE1-NZ 2.79Å; E187-K311 PolarHBondContact OE1-NZ 3.22Å; E187-K311 IonicContact OE2-NZ 2.88Å; E187-K311 PolarHBondContact OE2-NZ 3.37Å; D271-K311 PolarHBondContact O-N 2.86Å; D271-K311 VanDerWaalsContact O-N 3.16Å; Y272-K311 WeakPolarHBondContact CA-O 3.35Å; Y272-K311 HydrophobicContact CD1-CB 4.01Å; Y272-K311 HydrophobicContact CE1-CB 4.03Å; Y272-K311 HydrophobicContact CE1-CD 4.5Å; V273-K311 PolarHBondContact N-O 3.46Å; L306-K311 WeakPolarHBondContact CD1-O 3.4Å; K311-F313 HydrophobicContact CB-CE1 4.47Å; K311-F313 HydrophobicContact CB-CE2 3.91Å; K311-F313 HydrophobicContact CB-CZ 3.79Å; K311-F313 HydrophobicContact CD-CE1 4.48Å; K311-F313 HydrophobicContact CD-CZ 3.88Å; K311-T359 HydrophobicContact CB-CG2 4.5Å; K311-T359 HydrophobicContact CD-CG2 4.06Å; K311-T359 HydrophobicContact CG-CG2 4.49Å; K311-W361 HydrophobicContact CG-CB 4.41Å |
| 312 | Y | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 136.1 | 171.3 | 169 | -85.4 | 0 | 0 | 0 | 110 | V273 N275 L299 M303 T314 T359 V360 | V273-Y312 HydrophobicContact CB-CD2 4.01Å; V273-Y312 HydrophobicContact CG1-CD2 3.87Å; V273-Y312 HydrophobicContact CG1-CE2 4.24Å; V273-Y312 CarbonylContact O-C 3.49Å; V273-Y312 WeakPolarHBondContact O-CA 3.41Å; N275-Y312 HydrophobicContact CB-CE2 3.64Å; N275-Y312 WeakPolarHBondContact CB-OH 3.43Å; N275-Y312 PolarHBondContact ND2-OH 2.96Å; L299-Y312 HydrophobicContact CD2-CE1 3.79Å; M303-Y312 VanDerWaalsContact CE-CB 3.43Å; M303-Y312 HydrophobicContact CE-CD1 4.39Å; M303-Y312 HydrophobicContact CE-CD2 3.87Å; M303-Y312 HydrophobicContact CE-CG 3.67Å; Y312-T314 HydrophobicContact CD1-CG2 4.44Å; Y312-T314 HydrophobicContact CE1-CG2 3.52Å; Y312-T359 CarbonylContact O-C 3.49Å; Y312-T359 WeakPolarHBondContact O-CA 3.26Å; Y312-V360 HydrophobicContact CD1-CB 3.91Å; Y312-V360 HydrophobicContact CD1-CG2 3.89Å; Y312-V360 HydrophobicContact CE1-CG2 4.42Å; Y312-V360 PolarHBondContact N-O 3.37Å; Y312-V360 PolarHBondContact O-N 2.73Å |
| 313 | F | 98.9 | Very high | 98.4 | Very high | 1 Ų | 1 | 44.4 Ų | 44.4 | 0% | 0.004 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 144.5 | 178 | -58.6 | -74.9 | 0 | 0 | 0 | 110.6 | I181 G183 E187 Y272 V273 I274 N275 K311 Y358 T359 | I181-F313 WeakPolarHBondContact O-CB 3.33Å; I181-F313 WeakPolarHBondContact O-CG 3.41Å; G183-F313 VanDerWaalsContact CA-CE1 3.47Å; E187-F313 HydrophobicContact CG-CE2 3.97Å; E187-F313 HydrophobicContact CG-CZ 3.57Å; Y272-F313 HydrophobicContact CD1-CD2 4.43Å; Y272-F313 AromaticContact CD1-CE2 3.62Å; Y272-F313 HydrophobicContact CD1-CE2 3.62Å; Y272-F313 HydrophobicContact CD1-CZ 4.48Å; Y272-F313 AromaticContact CE1-CE2 3.97Å; Y272-F313 HydrophobicContact CE1-CE2 3.97Å; Y272-F313 HydrophobicContact CE1-CZ 4.45Å; V273-F313 PolarHBondContact O-N 3.15Å; I274-F313 CarbonylContact C-O 3.42Å; I274-F313 WeakPolarHBondContact CA-O 3.2Å; I274-F313 HydrophobicContact CG1-CB 4.49Å; I274-F313 HydrophobicContact CG1-CD2 4.28Å; I274-F313 HydrophobicContact CG2-CB 4.44Å; N275-F313 PolarHBondContact N-O 3.14Å; K311-F313 HydrophobicContact CB-CE1 4.47Å; K311-F313 HydrophobicContact CB-CE2 3.91Å; K311-F313 HydrophobicContact CB-CZ 3.79Å; K311-F313 HydrophobicContact CD-CE1 4.48Å; K311-F313 HydrophobicContact CD-CZ 3.88Å; F313-Y358 WeakPolarHBondContact CA-O 3.47Å; F313-T359 HydrophobicContact CD1-CG2 3.97Å; F313-T359 WeakPolarHBondContact CD1-OG1 3.37Å; F313-T359 HydrophobicContact CE1-CG2 3.44Å; F313-T359 VanDerWaalsContact CE1-CG2 3.44Å; F313-T359 VanDerWaalsContact CE1-OG1 3.32Å; F313-T359 WeakPolarHBondContact CE1-OG1 3.47Å; F313-T359 HydrophobicContact CZ-CG2 4.24Å |
| 314 | T | 98.8 | Very high | 98.2 | Very high | 6 Ų | 6 | 45.5 Ų | 45.5 | 4% | 0.037 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.7 | 151.9 | 176.2 | -171.5 | 0 | 0 | 0 | 0 | 110.7 | N275 Y312 Y328 Y358 | N275-T314 WeakPolarHBondContact O-CA 3.37Å; N275-T314 PolarHBondContact O-OG1 3.41Å; Y312-T314 HydrophobicContact CD1-CG2 4.44Å; Y312-T314 HydrophobicContact CE1-CG2 3.52Å; T314-Y328 VanDerWaalsContact CG2-OH 3.31Å; T314-Y328 WeakPolarHBondContact CG2-OH 3.16Å; T314-Y358 PolarHBondContact N-O 3.23Å; T314-Y358 PolarHBondContact O-N 3.46Å |
| 315 | Q | 98.3 | Very high | 98.2 | Very high | 21 Ų | 21 | 42.4 Ų | 42.4 | 10% | 0.098 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 145.3 | 157.7 | 73.6 | 80.7 | 9.8 | 0 | 0 | 109 | Y177 I181 F357 | Y177-Q315 HydrophobicContact CE2-CB 3.95Å; Y177-Q315 HydrophobicContact CE2-CG 4.46Å; Y177-Q315 WeakPolarHBondContact OH-CG 3.25Å; I181-Q315 HydrophobicContact CD1-CB 4.37Å; Q315-F357 HydrophobicContact CB-CD1 4.14Å; Q315-F357 HydrophobicContact CB-CE1 3.78Å; Q315-F357 HydrophobicContact CB-CZ 4.37Å |
| 316 | G | 97.4 | Very high | 98.1 | Very high | 17 Ų | 17 | 45.8 Ų | 45.8 | 18% | 0.175 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | -90 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | V356 | G316-V356 VanDerWaalsContact CA-O 3.23Å; G316-V356 WeakPolarHBondContact CA-O 3.42Å; G316-V356 PolarHBondContact N-O 3Å |
| 317 | N | 98.2 | Very high | 98 | Very high | 38 Ų | 38 | 49 Ų | 49 | 20% | 0.203 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -165.1 | 177.3 | 177.8 | -146 | -37.9 | 0 | 0 | 0 | 110.7 | L321 L325 W355 V356 | N317-L321 WeakPolarHBondContact OD1-CD1 3.49Å; N317-L325 HydrophobicContact CB-CD2 3.73Å; N317-L325 HydrophobicContact CB-CG 4.25Å; N317-W355 VanDerWaalsContact C-CE2 3.5Å; N317-V356 PolarHBondContact O-N 2.9Å |
| 318 | C | 98.1 | Very high | 98 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -54 | 136.1 | 165.8 | 171.8 | 0 | 0 | 0 | 0 | 111.4 | A127 N320 L321 E353 W355 | A127-C318 HydrophobicContact CB-CB 3.92Å; C318-N320 PolarHBondContact O-N 3.5Å; C318-N320 VanDerWaalsContact O-N 3.11Å; C318-N320 PolarHBondContact SG-N 3.04Å; C318-N320 VanDerWaalsContact SG-N 3.39Å; C318-L321 HydrophobicContact CB-CD1 4.42Å; C318-L321 HydrophobicContact CB-CG 4.24Å; C318-L321 PolarHBondContact O-N 3.44Å; C318-L321 VanDerWaalsContact O-N 3.1Å; C318-E353 PolarHBondContact SG-OE2 2.84Å; C318-W355 HydrophobicContact CB-CE3 4.04Å; C318-W355 HydrophobicContact CB-CH2 4.35Å; C318-W355 HydrophobicContact CB-CZ3 3.7Å |
| 319 | V | 98.4 | Very high | 98 | Very high | 41 Ų | 41 | 46.2 Ų | 46.2 | 25% | 0.248 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -24.7 | -179.5 | 72.4 | 0 | 0 | 0 | 0 | 113.6 | I345 L354 V356 | V319-I345 HydrophobicContact CG2-CD1 3.91Å; V319-I345 HydrophobicContact CG2-CG1 4.31Å; V319-L354 HydrophobicContact CB-CB 4.37Å; V319-L354 HydrophobicContact CG1-CB 3.78Å; V319-L354 PolarHBondContact N-O 2.62Å; V319-V356 HydrophobicContact CB-CG2 4.22Å; V319-V356 HydrophobicContact CG2-CG2 4.32Å |
| 320 | N | 98.4 | Very high | 97.9 | Very high | 97 Ų | 97 | 44.8 Ų | 44.8 | 52% | 0.519 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | -19.2 | -179.1 | -68 | -22.3 | 0 | 0 | 0 | 113.1 | D128 C318 T322 | D128-N320 HydrophobicContact CB-CB 4.17Å; D128-N320 PolarHBondContact OD2-ND2 3.2Å; C318-N320 PolarHBondContact O-N 3.5Å; C318-N320 VanDerWaalsContact O-N 3.11Å; C318-N320 PolarHBondContact SG-N 3.04Å; C318-N320 VanDerWaalsContact SG-N 3.39Å; N320-T322 PolarHBondContact O-N 3.3Å |
| 321 | L | 97.4 | Very high | 97.9 | Very high | 55 Ų | 55 | 45.3 Ų | 45.3 | 29% | 0.288 | 24% | 0.244 | S | C | . | . | trans | -85 | 61.5 | -179.9 | -62.1 | -174.4 | 0 | 0 | 0 | 111.2 | A127 D128 N317 C318 E323 A324 L325 | A127-L321 HydrophobicContact CB-CD1 4.32Å; D128-L321 HydrophobicContact CB-CD2 4.37Å; N317-L321 WeakPolarHBondContact OD1-CD1 3.49Å; C318-L321 HydrophobicContact CB-CD1 4.42Å; C318-L321 HydrophobicContact CB-CG 4.24Å; C318-L321 PolarHBondContact O-N 3.44Å; C318-L321 VanDerWaalsContact O-N 3.1Å; L321-E323 VanDerWaalsContact C-N 3.33Å; L321-E323 PolarHBondContact O-N 3.1Å; L321-A324 HydrophobicContact CB-CB 4.1Å; L321-A324 PolarHBondContact O-N 3.11Å; L321-L325 WeakPolarHBondContact O-CG 3.48Å; L321-L325 PolarHBondContact O-N 3.43Å | ||
| 322 | T | 98 | Very high | 97.8 | Very high | 98 Ų | 98 | 42.6 Ų | 42.6 | 60% | 0.601 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -60.6 | -37.6 | -173 | 56.6 | 0 | 0 | 0 | 0 | 113.5 | N320 S326 | N320-T322 PolarHBondContact O-N 3.3Å; T322-S326 WeakPolarHBondContact O-CB 3.44Å; T322-S326 PolarHBondContact O-N 3.32Å |
| 323 | E | 97.3 | Very high | 97.7 | Very high | 159 Ų | 159 | 45.8 Ų | 45.8 | 74% | 0.743 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -65 | -45.3 | 176.2 | -66.8 | -179.8 | -178.9 | 0 | 0 | 111.3 | L321 S326 L327 | L321-E323 VanDerWaalsContact C-N 3.33Å; L321-E323 PolarHBondContact O-N 3.1Å; E323-S326 PolarHBondContact O-N 2.82Å; E323-L327 WeakPolarHBondContact O-CG 3.38Å; E323-L327 PolarHBondContact O-N 3Å |
| 324 | A | 95.6 | Very high | 97.6 | Very high | 23 Ų | 23 | 50.9 Ų | 50.9 | 19% | 0.19 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -64.7 | -42.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | W292 L321 S326 L327 Y328 | W292-A324 HydrophobicContact CH2-CB 4.13Å; W292-A324 VanDerWaalsContact CH2-O 3.25Å; W292-A324 WeakPolarHBondContact CH2-O 3.37Å; L321-A324 HydrophobicContact CB-CB 4.1Å; L321-A324 PolarHBondContact O-N 3.11Å; A324-S326 VanDerWaalsContact C-N 3.32Å; A324-S326 PolarHBondContact O-N 2.86Å; A324-L327 PolarHBondContact O-N 3.44Å; A324-Y328 WeakPolarHBondContact O-CB 3.21Å; A324-Y328 PolarHBondContact O-N 2.96Å |
| 325 | L | 97.9 | Very high | 97.6 | Very high | 12 Ų | 12 | 51.6 Ų | 51.6 | 6% | 0.063 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -61.5 | -40.4 | 174.2 | -70.1 | 169.4 | 0 | 0 | 0 | 111.6 | N317 L321 Y328 E329 V356 Y358 | N317-L325 HydrophobicContact CB-CD2 3.73Å; N317-L325 HydrophobicContact CB-CG 4.25Å; L321-L325 WeakPolarHBondContact O-CG 3.48Å; L321-L325 PolarHBondContact O-N 3.43Å; L325-Y328 PolarHBondContact O-N 3.37Å; L325-E329 WeakPolarHBondContact O-CB 3.45Å; L325-E329 VanDerWaalsContact O-CG 3.29Å; L325-E329 WeakPolarHBondContact O-CG 3.17Å; L325-E329 PolarHBondContact O-N 3.36Å; L325-V356 HydrophobicContact CD1-CG2 3.91Å; L325-V356 HydrophobicContact CD2-CB 4.08Å; L325-V356 HydrophobicContact CD2-CG1 4.3Å; L325-V356 HydrophobicContact CD2-CG2 4.27Å; L325-Y358 HydrophobicContact CD2-CE2 4.08Å |
| 326 | S | 98 | Very high | 97.5 | Very high | 71 Ų | 71 | 55.9 Ų | 55.9 | 50% | 0.497 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -65.7 | -41.6 | 176.7 | -171 | 0 | 0 | 0 | 0 | 112.3 | T322 E323 A324 Y328 E329 E330 | T322-S326 WeakPolarHBondContact O-CB 3.44Å; T322-S326 PolarHBondContact O-N 3.32Å; E323-S326 PolarHBondContact O-N 2.82Å; A324-S326 VanDerWaalsContact C-N 3.32Å; A324-S326 PolarHBondContact O-N 2.86Å; S326-Y328 VanDerWaalsContact C-N 3.35Å; S326-E329 PolarHBondContact O-N 2.98Å; S326-E330 PolarHBondContact O-N 2.88Å |
| 327 | L | 96.7 | Very high | 97.5 | Very high | 67 Ų | 67 | 56.1 Ų | 56.1 | 35% | 0.351 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -67.4 | -36 | 177.2 | -72.4 | 169.3 | 0 | 0 | 0 | 112 | W292 E323 A324 E330 Q331 | W292-L327 HydrophobicContact CD2-CB 4.04Å; W292-L327 HydrophobicContact CE3-CB 4.09Å; W292-L327 HydrophobicContact CH2-CB 3.65Å; W292-L327 HydrophobicContact CH2-CD1 4.42Å; W292-L327 HydrophobicContact CZ2-CB 3.57Å; W292-L327 HydrophobicContact CZ2-CD1 3.59Å; W292-L327 HydrophobicContact CZ2-CG 4.23Å; W292-L327 HydrophobicContact CZ3-CB 3.91Å; E323-L327 WeakPolarHBondContact O-CG 3.38Å; E323-L327 PolarHBondContact O-N 3Å; A324-L327 PolarHBondContact O-N 3.44Å; L327-E330 WeakPolarHBondContact O-CB 3.36Å; L327-E330 PolarHBondContact O-N 2.8Å; L327-Q331 WeakPolarHBondContact O-CG 3.22Å; L327-Q331 PolarHBondContact O-N 3.23Å; L327-Q331 PolarHBondContact O-NE2 3.08Å |
| 328 | Y | 97.1 | Very high | 97.5 | Very high | 22 Ų | 22 | 58.6 Ų | 58.6 | 9% | 0.086 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -62.6 | -47 | 170.9 | 176.4 | -97 | 0 | 0 | 0 | 111.5 | L299 T314 A324 L325 S326 E330 Q331 L332 Y358 | L299-Y328 HydrophobicContact CD1-CE2 4.06Å; T314-Y328 VanDerWaalsContact CG2-OH 3.31Å; T314-Y328 WeakPolarHBondContact CG2-OH 3.16Å; A324-Y328 WeakPolarHBondContact O-CB 3.21Å; A324-Y328 PolarHBondContact O-N 2.96Å; L325-Y328 PolarHBondContact O-N 3.37Å; S326-Y328 VanDerWaalsContact C-N 3.35Å; Y328-E330 VanDerWaalsContact C-N 3.28Å; Y328-E330 PolarHBondContact O-N 3.48Å; Y328-Q331 WeakPolarHBondContact O-CB 3.28Å; Y328-Q331 PolarHBondContact O-N 3.34Å; Y328-Q331 VanDerWaalsContact O-N 3.09Å; Y328-L332 HydrophobicContact CE1-CD1 4.2Å; Y328-L332 HydrophobicContact CE1-CG 4.48Å; Y328-Y358 HydrophobicContact CD1-CD2 4.23Å; Y328-Y358 HydrophobicContact CD1-CE1 4.27Å; Y328-Y358 AromaticContact CD1-CE2 3.83Å; Y328-Y358 HydrophobicContact CD1-CE2 3.83Å; Y328-Y358 AromaticContact CD1-CZ 3.86Å; Y328-Y358 HydrophobicContact CE1-CD1 4.09Å; Y328-Y358 AromaticContact CE1-CD2 3.72Å; Y328-Y358 HydrophobicContact CE1-CD2 3.72Å; Y328-Y358 HydrophobicContact CE1-CE1 4.17Å; Y328-Y358 AromaticContact CE1-CE2 3.81Å; Y328-Y358 HydrophobicContact CE1-CE2 3.81Å; Y328-Y358 AromaticContact CE1-CG 3.88Å; Y328-Y358 HydrophobicContact CE1-CG 3.88Å |
| 329 | E | 98.2 | Very high | 97.5 | Very high | 45 Ų | 45 | 59.8 Ų | 59.8 | 21% | 0.21 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -63.6 | -31.8 | 178.1 | -73.5 | 172.1 | -171 | 0 | 0 | 112.6 | L325 S326 Q331 L332 F341 K343 Y358 | L325-E329 WeakPolarHBondContact O-CB 3.45Å; L325-E329 VanDerWaalsContact O-CG 3.29Å; L325-E329 WeakPolarHBondContact O-CG 3.17Å; L325-E329 PolarHBondContact O-N 3.36Å; S326-E329 PolarHBondContact O-N 2.98Å; E329-Q331 VanDerWaalsContact C-N 3.32Å; E329-Q331 PolarHBondContact O-N 3.48Å; E329-L332 WeakPolarHBondContact O-CB 3.29Å; E329-L332 PolarHBondContact O-N 3.02Å; E329-F341 HydrophobicContact CB-CZ 4.26Å; E329-F341 HydrophobicContact CG-CE2 3.97Å; E329-F341 HydrophobicContact CG-CZ 3.84Å; E329-K343 IonicContact OE1-NZ 3.98Å; E329-K343 PolarHBondContact OE1-NZ 3.14Å; E329-K343 IonicContact OE2-NZ 3.86Å; E329-Y358 HydrophobicContact CG-CE1 3.79Å; E329-Y358 WeakPolarHBondContact CG-OH 3.45Å; E329-Y358 WeakPolarHBondContact OE1-CE1 3.48Å; E329-Y358 PolarHBondContact OE1-OH 3.1Å |
| 330 | E | 97.6 | Very high | 97.5 | Very high | 100 Ų | 100 | 61.7 Ų | 61.7 | 47% | 0.467 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -59.6 | -42.1 | 171.6 | -173.5 | 178.1 | 176.2 | 0 | 0 | 111.4 | S326 L327 Y328 L332 G333 H334 | S326-E330 PolarHBondContact O-N 2.88Å; L327-E330 WeakPolarHBondContact O-CB 3.36Å; L327-E330 PolarHBondContact O-N 2.8Å; Y328-E330 VanDerWaalsContact C-N 3.28Å; Y328-E330 PolarHBondContact O-N 3.48Å; E330-L332 PolarHBondContact O-N 3.39Å; E330-G333 PolarHBondContact O-N 3.05Å; E330-H334 PolarHBondContact O-CD2 3.2Å |
| 331 | Q | 97.3 | Very high | 97.6 | Very high | 15 Ų | 15 | 60.8 Ų | 60.8 | 7% | 0.07 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -62.4 | -30.4 | 179.2 | -55.2 | -43.1 | -56.1 | 0 | 0 | 112.8 | W292 R296 L299 L327 Y328 E329 G333 H334 L335 | W292-Q331 HydrophobicContact CB-CG 4.47Å; W292-Q331 HydrophobicContact CE3-CG 4.49Å; R296-Q331 HydrophobicContact CB-CB 4.15Å; R296-Q331 HydrophobicContact CB-CG 4.31Å; R296-Q331 HydrophobicContact CG-CB 4.32Å; L299-Q331 HydrophobicContact CD1-CB 4.19Å; L327-Q331 WeakPolarHBondContact O-CG 3.22Å; L327-Q331 PolarHBondContact O-N 3.23Å; L327-Q331 PolarHBondContact O-NE2 3.08Å; Y328-Q331 WeakPolarHBondContact O-CB 3.28Å; Y328-Q331 PolarHBondContact O-N 3.34Å; Y328-Q331 VanDerWaalsContact O-N 3.09Å; E329-Q331 VanDerWaalsContact C-N 3.32Å; E329-Q331 PolarHBondContact O-N 3.48Å; Q331-G333 PolarHBondContact O-N 2.91Å; Q331-H334 PolarHBondContact O-N 2.83Å; Q331-L335 WeakPolarHBondContact O-CD2 3.45Å |
| 332 | L | 97.7 | Very high | 97.6 | Very high | 6 Ų | 6 | 60.8 Ų | 60.8 | 3% | 0.031 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -62.9 | -24.3 | 175.8 | -63.9 | 172.9 | 0 | 0 | 0 | 112.4 | L299 Y328 E329 E330 H334 L335 V339 F341 V360 | L299-L332 HydrophobicContact CD1-CD2 4Å; L299-L332 HydrophobicContact CD2-CD2 3.94Å; Y328-L332 HydrophobicContact CE1-CD1 4.2Å; Y328-L332 HydrophobicContact CE1-CG 4.48Å; E329-L332 WeakPolarHBondContact O-CB 3.29Å; E329-L332 PolarHBondContact O-N 3.02Å; E330-L332 PolarHBondContact O-N 3.39Å; L332-H334 VanDerWaalsContact C-N 3.3Å; L332-L335 HydrophobicContact CD2-CD1 4.47Å; L332-V339 HydrophobicContact CB-CG2 4.23Å; L332-V339 VanDerWaalsContact O-CG2 3.24Å; L332-V339 WeakPolarHBondContact O-CG2 3.43Å; L332-F341 HydrophobicContact CD1-CB 4.24Å; L332-F341 HydrophobicContact CD1-CD1 3.68Å; L332-F341 HydrophobicContact CD1-CD2 4.33Å; L332-F341 HydrophobicContact CD1-CE1 4.05Å; L332-F341 HydrophobicContact CD1-CG 3.83Å; L332-V360 HydrophobicContact CD1-CG2 4.42Å; L332-V360 HydrophobicContact CD2-CG1 4.25Å; L332-V360 HydrophobicContact CD2-CG2 4Å |
| 333 | G | 96.9 | Very high | 97.7 | Very high | 68 Ų | 68 | 61.5 Ų | 61.5 | 70% | 0.701 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.6 | -10.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | E330 Q331 | E330-G333 PolarHBondContact O-N 3.05Å; Q331-G333 PolarHBondContact O-N 2.91Å |
| 334 | H | 96.8 | Very high | 97.7 | Very high | 108 Ų | 108 | 55.8 Ų | 55.8 | 50% | 0.5 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.5 | 26.3 | -168.2 | -68.3 | -134 | 0 | 0 | 0 | 112.5 | R296 E330 Q331 L332 | R296-H334 HydrophobicContact CG-CB 4.47Å; E330-H334 PolarHBondContact O-CD2 3.2Å; Q331-H334 PolarHBondContact O-N 2.83Å; L332-H334 VanDerWaalsContact C-N 3.3Å |
| 335 | L | 97.9 | Very high | 97.9 | Very high | 21 Ų | 21 | 59.8 Ų | 59.8 | 11% | 0.11 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -93.8 | 164.1 | 179.7 | -49.3 | -176.3 | 0 | 0 | 0 | 111.5 | R296 L299 D300 M303 Q331 L332 C337 V339 | R296-L335 HydrophobicContact CG-CD2 4.23Å; L299-L335 HydrophobicContact CB-CD1 4.28Å; L299-L335 HydrophobicContact CB-CD2 3.67Å; D300-L335 HydrophobicContact CB-CD2 4.17Å; M303-L335 HydrophobicContact CG-CD1 3.72Å; Q331-L335 WeakPolarHBondContact O-CD2 3.45Å; L332-L335 HydrophobicContact CD2-CD1 4.47Å; L335-C337 PolarHBondContact O-N 3.4Å; L335-C337 VanDerWaalsContact O-N 3.14Å; L335-V339 HydrophobicContact CD1-CG1 4.09Å; L335-V339 HydrophobicContact CD1-CG2 4.13Å |
| 336 | Y | 97.3 | Very high | 97.9 | Very high | 111 Ų | 111 | 60.1 Ų | 60.1 | 44% | 0.435 | 32% | 0.323 | S | S | . | . | S | Bend | trans | -63.7 | -20 | -178.3 | 86.8 | -79.7 | 0 | 0 | 0 | 113.9 | D300 M303 K304 K362 | D300-Y336 VanDerWaalsContact OD1-CB 3.3Å; D300-Y336 WeakPolarHBondContact OD1-CB 3.33Å; D300-Y336 WeakPolarHBondContact OD1-CD1 3.45Å; D300-Y336 PolarHBondContact OD1-N 2.8Å; M303-Y336 HydrophobicContact CB-CD1 4.14Å; M303-Y336 HydrophobicContact CB-CE1 3.53Å; M303-Y336 PolarHBondContact O-OH 2.71Å; K304-Y336 HydrophobicContact CB-CE1 4.27Å; K304-Y336 HydrophobicContact CG-CD1 3.68Å; K304-Y336 HydrophobicContact CG-CE1 3.51Å; K304-Y336 HydrophobicContact CG-CE2 4.44Å; K304-Y336 HydrophobicContact CG-CG 4.21Å; Y336-K362 WeakPolarHBondContact OH-CE 3.39Å; Y336-K362 PolarHBondContact OH-NZ 2.92Å |
| 337 | C | 97.3 | Very high | 98 | Very high | 21 Ų | 21 | 61 Ų | 61 | 14% | 0.142 | 33% | 0.328 | C | S | . | . | S | Bend | trans | -132.8 | 149.9 | 176.4 | 66.8 | 0 | 0 | 0 | 0 | 110.7 | L335 V339 | L335-C337 PolarHBondContact O-N 3.4Å; L335-C337 VanDerWaalsContact O-N 3.14Å; C337-V339 PolarHBondContact O-N 3.14Å |
| 338 | P | 98.1 | Very high | 98.1 | Very high | 91 Ų | 91 | 57.9 Ų | 57.9 | 59% | 0.591 | 31% | 0.312 | S | S | * | . | trans | -64.5 | 135.8 | 173.3 | 27.5 | -34 | 0 | 0 | 0 | 110.7 | K363 | P338-K363 HydrophobicContact CB-CB 4.12Å; P338-K363 HydrophobicContact CB-CD 4.39Å; P338-K363 HydrophobicContact CG-CB 4.19Å; P338-K363 WeakPolarHBondContact O-CB 3.29Å; P338-K363 PolarHBondContact O-N 3.2Å | ||
| 339 | V | 98.6 | Very high | 98.1 | Very high | 25 Ų | 25 | 59.3 Ų | 59.3 | 15% | 0.152 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 160.9 | 177.9 | -61.9 | 0 | 0 | 0 | 0 | 111 | M303 L332 L335 C337 V360 W361 | M303-V339 HydrophobicContact CG-CG1 4.18Å; M303-V339 HydrophobicContact SD-CG1 3.84Å; L332-V339 HydrophobicContact CB-CG2 4.23Å; L332-V339 VanDerWaalsContact O-CG2 3.24Å; L332-V339 WeakPolarHBondContact O-CG2 3.43Å; L335-V339 HydrophobicContact CD1-CG1 4.09Å; L335-V339 HydrophobicContact CD1-CG2 4.13Å; C337-V339 PolarHBondContact O-N 3.14Å; V339-V360 HydrophobicContact CB-CG1 3.81Å; V339-V360 HydrophobicContact CG1-CG1 4.19Å; V339-V360 HydrophobicContact CG2-CG1 4Å; V339-W361 CarbonylContact C-O 3.59Å; V339-W361 VanDerWaalsContact CA-O 3.26Å; V339-W361 WeakPolarHBondContact CA-O 3.38Å; V339-W361 WeakPolarHBondContact CB-O 3.4Å |
| 340 | E | 98.6 | Very high | 98.2 | Very high | 80 Ų | 80 | 57.1 Ų | 57.1 | 37% | 0.374 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 155.3 | 166 | -68.2 | 176.1 | 160.6 | 0 | 0 | 108 | V360 W361 K363 | E340-V360 WeakPolarHBondContact O-CA 3.33Å; E340-W361 HydrophobicContact CB-CD2 4.23Å; E340-W361 VanDerWaalsContact CB-CE2 3.49Å; E340-W361 HydrophobicContact CB-CH2 4.42Å; E340-W361 HydrophobicContact CB-CZ2 3.61Å; E340-W361 PolarHBondContact N-O 3.36Å; E340-W361 PolarHBondContact O-N 3.45Å; E340-W361 PolarHBondContact OE2-NE1 3.22Å; E340-K363 HydrophobicContact CG-CB 4.49Å; E340-K363 HydrophobicContact CG-CG 4.46Å |
| 341 | F | 98.8 | Very high | 98.2 | Very high | 78 Ų | 78 | 53.1 Ų | 53.1 | 34% | 0.342 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 160 | 179 | 70.3 | -87.8 | 0 | 0 | 0 | 112.2 | E329 L332 Y358 T359 V360 | E329-F341 HydrophobicContact CB-CZ 4.26Å; E329-F341 HydrophobicContact CG-CE2 3.97Å; E329-F341 HydrophobicContact CG-CZ 3.84Å; L332-F341 HydrophobicContact CD1-CB 4.24Å; L332-F341 HydrophobicContact CD1-CD1 3.68Å; L332-F341 HydrophobicContact CD1-CD2 4.33Å; L332-F341 HydrophobicContact CD1-CE1 4.05Å; L332-F341 HydrophobicContact CD1-CG 3.83Å; F341-Y358 AromaticContact CD2-CD1 3.78Å; F341-Y358 HydrophobicContact CD2-CD1 3.78Å; F341-Y358 AromaticContact CD2-CE1 3.83Å; F341-Y358 HydrophobicContact CD2-CE1 3.83Å; F341-Y358 HydrophobicContact CE2-CD1 4.3Å; F341-Y358 AromaticContact CE2-CE1 3.86Å; F341-Y358 HydrophobicContact CE2-CE1 3.86Å; F341-T359 CarbonylContact C-O 3.54Å; F341-T359 WeakPolarHBondContact CA-O 3.47Å; F341-T359 WeakPolarHBondContact CB-O 3.34Å; F341-V360 HydrophobicContact CB-CB 4.45Å; F341-V360 HydrophobicContact CB-CG2 3.95Å |
| 342 | S | 98.7 | Very high | 98.3 | Very high | 55 Ų | 55 | 55.6 Ų | 55.6 | 39% | 0.385 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 158.3 | 165.5 | 60.2 | 0 | 0 | 0 | 0 | 109.1 | T359 | S342-T359 PolarHBondContact N-O 3.09Å; S342-T359 PolarHBondContact O-N 3.41Å |
| 343 | K | 98.6 | Very high | 98.3 | Very high | 113 Ų | 113 | 56.5 Ų | 56.5 | 49% | 0.491 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 145.8 | 177.5 | 62 | -175.9 | 171.1 | -168.3 | 0 | 111.6 | E329 V356 F357 Y358 | E329-K343 IonicContact OE1-NZ 3.98Å; E329-K343 PolarHBondContact OE1-NZ 3.14Å; E329-K343 IonicContact OE2-NZ 3.86Å; K343-V356 HydrophobicContact CB-CG1 3.83Å; K343-V356 HydrophobicContact CD-CG1 4.08Å; K343-V356 HydrophobicContact CG-CG1 4.42Å; K343-F357 CarbonylContact C-O 3.53Å; K343-F357 WeakPolarHBondContact CA-O 3.39Å; K343-Y358 HydrophobicContact CB-CD1 4.14Å; K343-Y358 HydrophobicContact CB-CE1 4.05Å; K343-Y358 HydrophobicContact CD-CE1 4.2Å |
| 344 | E | 98.6 | Very high | 98.4 | Very high | 40 Ų | 40 | 57.1 Ų | 57.1 | 19% | 0.187 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 143 | 174.2 | 62.3 | -177.7 | -160.6 | 0 | 0 | 110.7 | S184 K186 V346 V356 F357 | S184-E344 PolarHBondContact OG-OE1 3.45Å; S184-E344 PolarHBondContact OG-OE2 2.96Å; K186-E344 IonicContact NZ-OE2 2.86Å; E344-V346 HydrophobicContact CG-CG2 3.99Å; E344-V356 CarbonylContact O-C 3.45Å; E344-V356 WeakPolarHBondContact O-CA 3.34Å; E344-F357 HydrophobicContact CG-CB 4.02Å; E344-F357 PolarHBondContact N-O 3.43Å; E344-F357 PolarHBondContact O-N 3.08Å |
| 345 | I | 98.8 | Very high | 98.5 | Very high | 106 Ų | 106 | 52.6 Ų | 52.6 | 54% | 0.544 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 126.6 | 175.3 | -60.9 | 168.3 | 0 | 0 | 0 | 107.4 | V319 L354 W355 V356 | V319-I345 HydrophobicContact CG2-CD1 3.91Å; V319-I345 HydrophobicContact CG2-CG1 4.31Å; I345-L354 HydrophobicContact CG2-CB 3.84Å; I345-L354 HydrophobicContact CG2-CD1 4.13Å; I345-L354 HydrophobicContact CG2-CD2 4.35Å; I345-L354 HydrophobicContact CG2-CG 4.34Å; I345-W355 CarbonylContact C-O 3.58Å; I345-W355 WeakPolarHBondContact CA-O 3.44Å; I345-V356 HydrophobicContact CG1-CG2 4.47Å |
| 346 | V | 98.8 | Very high | 98.5 | Very high | 20 Ų | 20 | 51.8 Ų | 51.8 | 12% | 0.121 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 139.1 | -173 | -178.6 | 0 | 0 | 0 | 0 | 109.4 | A176 A180 E344 V348 W355 F357 | A176-V346 HydrophobicContact CB-CG1 4.42Å; A180-V346 HydrophobicContact CB-CB 4.4Å; A180-V346 HydrophobicContact CB-CG1 4.12Å; A180-V346 HydrophobicContact CB-CG2 3.73Å; E344-V346 HydrophobicContact CG-CG2 3.99Å; V346-V348 HydrophobicContact CG1-CG2 4.18Å; V346-W355 PolarHBondContact N-O 2.61Å; V346-W355 PolarHBondContact O-N 3.02Å; V346-F357 HydrophobicContact CB-CD2 3.81Å; V346-F357 HydrophobicContact CB-CE2 3.79Å; V346-F357 HydrophobicContact CG1-CE2 4.25Å; V346-F357 HydrophobicContact CG2-CD2 3.62Å; V346-F357 HydrophobicContact CG2-CE2 4.08Å; V346-F357 HydrophobicContact CG2-CG 4.48Å |
| 347 | C | 98.8 | Very high | 98.6 | Very high | 89 Ų | 89 | 46.6 Ų | 46.6 | 60% | 0.601 | 25% | 0.253 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 105.6 | 168.3 | -175.4 | 0 | 0 | 0 | 0 | 108 | L354 | C347-L354 HydrophobicContact CB-CD2 4.03Å |
| 348 | V | 98.8 | Very high | 98.7 | Very high | 2 Ų | 2 | 45.7 Ų | 45.7 | 1% | 0.012 | 25% | 0.247 | C | C | . | . | trans | -93.1 | 119 | 171 | -179.2 | 0 | 0 | 0 | 0 | 107 | D174 Y177 V346 S350 Y351 F357 | D174-V348 HydrophobicContact CB-CG1 3.79Å; Y177-V348 HydrophobicContact CD2-CG2 4.32Å; V346-V348 HydrophobicContact CG1-CG2 4.18Å; V348-S350 PolarHBondContact O-N 2.86Å; V348-Y351 HydrophobicContact CB-CD1 4.12Å; V348-Y351 HydrophobicContact CB-CD2 3.81Å; V348-Y351 HydrophobicContact CB-CE2 4.3Å; V348-Y351 HydrophobicContact CB-CG 3.72Å; V348-Y351 HydrophobicContact CG1-CD1 3.62Å; V348-Y351 HydrophobicContact CG1-CD2 4.13Å; V348-Y351 HydrophobicContact CG1-CE1 3.86Å; V348-Y351 HydrophobicContact CG1-CE2 4.35Å; V348-Y351 HydrophobicContact CG1-CG 3.78Å; V348-Y351 HydrophobicContact CG2-CD2 4.14Å; V348-Y351 HydrophobicContact CG2-CE2 4.28Å; V348-Y351 PolarHBondContact O-N 2.98Å; V348-Y351 VanDerWaalsContact O-N 3.13Å; V348-F357 HydrophobicContact CG2-CE2 4.22Å; V348-F357 HydrophobicContact CG2-CZ 4.33Å | ||
| 349 | P | 98.7 | Very high | 98.7 | Very high | 51 Ų | 51 | 42.3 Ų | 42.3 | 33% | 0.331 | 22% | 0.224 | S | C | . | . | G | 310 helix | trans | -52.3 | -49.7 | -168.7 | -28.9 | 33.8 | 0 | 0 | 0 | 114.3 | F158 D174 Y351 | F158-P349 HydrophobicContact CD1-CB 4.09Å; F158-P349 HydrophobicContact CE1-CB 3.9Å; F158-P349 WeakPolarHBondContact CE1-O 3.46Å; F158-P349 WeakPolarHBondContact CZ-O 3.42Å; D174-P349 WeakPolarHBondContact OD1-CD 3.45Å; P349-Y351 VanDerWaalsContact C-N 3.31Å; P349-Y351 PolarHBondContact O-N 3.41Å |
| 350 | S | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 22% | 0.217 | C | C | . | . | G | 310 helix | trans | -75 | -17 | -176 | 82.8 | 0 | 0 | 0 | 0 | 113.9 | Y134 D174 V348 L352 | Y134-S350 WeakPolarHBondContact CE1-O 3.21Å; Y134-S350 PolarHBondContact OH-O 2.74Å; D174-S350 PolarHBondContact OD1-N 3.03Å; D174-S350 VanDerWaalsContact OD2-CB 3.26Å; D174-S350 WeakPolarHBondContact OD2-CB 3.42Å; D174-S350 PolarHBondContact OD2-OG 3.08Å; V348-S350 PolarHBondContact O-N 2.86Å; S350-L352 VanDerWaalsContact C-N 3.27Å; S350-L352 PolarHBondContact O-N 2.93Å |
| 351 | Y | 98.7 | Very high | 98.8 | Very high | 15 Ų | 15 | 41 Ų | 41 | 6% | 0.059 | 21% | 0.213 | C | C | . | . | G | 310 helix | trans | -72.3 | -21.1 | -173.8 | -77.2 | 14.5 | 0 | 0 | 0 | 113.3 | V168 N169 Y177 V348 P349 E353 W355 | V168-Y351 HydrophobicContact CG1-CD1 4.19Å; V168-Y351 HydrophobicContact CG1-CE1 4.31Å; V168-Y351 WeakPolarHBondContact O-CE1 3.35Å; N169-Y351 WeakPolarHBondContact O-CE1 3.38Å; N169-Y351 PolarHBondContact O-OH 2.8Å; Y177-Y351 HydrophobicContact CD2-CE2 4.22Å; Y177-Y351 AromaticContact CD2-CZ 3.87Å; Y177-Y351 VanDerWaalsContact CD2-OH 3.27Å; Y177-Y351 WeakPolarHBondContact CD2-OH 3.27Å; Y177-Y351 HydrophobicContact CE2-CE2 4.44Å; Y177-Y351 WeakPolarHBondContact CE2-OH 3.48Å; V348-Y351 HydrophobicContact CB-CD1 4.12Å; V348-Y351 HydrophobicContact CB-CD2 3.81Å; V348-Y351 HydrophobicContact CB-CE2 4.3Å; V348-Y351 HydrophobicContact CB-CG 3.72Å; V348-Y351 HydrophobicContact CG1-CD1 3.62Å; V348-Y351 HydrophobicContact CG1-CD2 4.13Å; V348-Y351 HydrophobicContact CG1-CE1 3.86Å; V348-Y351 HydrophobicContact CG1-CE2 4.35Å; V348-Y351 HydrophobicContact CG1-CG 3.78Å; V348-Y351 HydrophobicContact CG2-CD2 4.14Å; V348-Y351 HydrophobicContact CG2-CE2 4.28Å; V348-Y351 PolarHBondContact O-N 2.98Å; V348-Y351 VanDerWaalsContact O-N 3.13Å; P349-Y351 VanDerWaalsContact C-N 3.31Å; P349-Y351 PolarHBondContact O-N 3.41Å; Y351-E353 PolarHBondContact O-N 2.93Å; Y351-W355 HydrophobicContact CD2-CB 4.14Å; Y351-W355 AromaticContact CD2-CD2 3.77Å; Y351-W355 HydrophobicContact CD2-CD2 3.77Å; Y351-W355 AromaticContact CD2-CE3 3.69Å; Y351-W355 HydrophobicContact CD2-CE3 3.69Å; Y351-W355 AromaticContact CD2-CG 3.99Å; Y351-W355 HydrophobicContact CD2-CG 3.99Å; Y351-W355 HydrophobicContact CD2-CZ3 4.31Å; Y351-W355 HydrophobicContact CE2-CB 4.4Å; Y351-W355 AromaticContact CE2-CD2 3.74Å; Y351-W355 HydrophobicContact CE2-CD2 3.74Å; Y351-W355 HydrophobicContact CE2-CE3 4.07Å; Y351-W355 AromaticContact CE2-CG 3.89Å; Y351-W355 HydrophobicContact CE2-CG 3.89Å |
| 352 | L | 98.6 | Very high | 98.7 | Very high | 67 Ų | 67 | 37.9 Ų | 37.9 | 35% | 0.351 | 20% | 0.199 | S | C | . | . | S | Bend | trans | 53.6 | 24.7 | -175.8 | -52.6 | -177.4 | 0 | 0 | 0 | 113.5 | R130 V132 Y134 F158 S350 | R130-L352 PolarHBondContact NH1-O 3.42Å; V132-L352 HydrophobicContact CB-CD1 3.94Å; V132-L352 HydrophobicContact CG1-CD1 4.39Å; V132-L352 HydrophobicContact CG2-CD1 4Å; Y134-L352 HydrophobicContact CD1-CD1 4.33Å; Y134-L352 HydrophobicContact CD2-CD1 4.32Å; Y134-L352 HydrophobicContact CE1-CD1 3.85Å; Y134-L352 HydrophobicContact CE1-CG 4.12Å; Y134-L352 HydrophobicContact CE2-CD1 3.83Å; F158-L352 HydrophobicContact CE2-CD2 4.31Å; F158-L352 HydrophobicContact CZ-CD2 4Å; S350-L352 VanDerWaalsContact C-N 3.27Å; S350-L352 PolarHBondContact O-N 2.93Å |
| 353 | E | 98.5 | Very high | 98.7 | Very high | 25 Ų | 25 | 40.3 Ų | 40.3 | 12% | 0.117 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -157.6 | 161.9 | 176.6 | 72.2 | -168.9 | 133.7 | 0 | 0 | 111.1 | T126 A127 R130 C318 Y351 W355 | T126-E353 VanDerWaalsContact CB-OE1 3.3Å; T126-E353 WeakPolarHBondContact CB-OE1 3.27Å; A127-E353 PolarHBondContact N-OE1 3.06Å; R130-E353 IonicContact NH2-OE2 2.92Å; R130-E353 PolarHBondContact NH2-OE2 2.95Å; C318-E353 PolarHBondContact SG-OE2 2.84Å; Y351-E353 PolarHBondContact O-N 2.93Å; E353-W355 HydrophobicContact CG-CE3 3.91Å; E353-W355 HydrophobicContact CG-CZ3 3.96Å |
| 354 | L | 98.8 | Very high | 98.2 | Very high | 82 Ų | 82 | 38.9 Ų | 38.9 | 43% | 0.429 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 133.7 | 178.5 | -68.9 | 177.4 | 0 | 0 | 0 | 110.1 | V319 I345 C347 | V319-L354 HydrophobicContact CB-CB 4.37Å; V319-L354 HydrophobicContact CG1-CB 3.78Å; V319-L354 PolarHBondContact N-O 2.62Å; I345-L354 HydrophobicContact CG2-CB 3.84Å; I345-L354 HydrophobicContact CG2-CD1 4.13Å; I345-L354 HydrophobicContact CG2-CD2 4.35Å; I345-L354 HydrophobicContact CG2-CG 4.34Å; C347-L354 HydrophobicContact CB-CD2 4.03Å |
| 355 | W | 98.8 | Very high | 97.3 | Very high | 12 Ų | 12 | 44.8 Ų | 44.8 | 5% | 0.045 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 143.6 | -174.5 | -146.4 | -103.3 | 0 | 0 | 0 | 112.1 | A127 N317 C318 I345 V346 Y351 E353 F357 | A127-W355 HydrophobicContact CB-CH2 3.82Å; A127-W355 HydrophobicContact CB-CZ3 3.87Å; N317-W355 VanDerWaalsContact C-CE2 3.5Å; C318-W355 HydrophobicContact CB-CE3 4.04Å; C318-W355 HydrophobicContact CB-CH2 4.35Å; C318-W355 HydrophobicContact CB-CZ3 3.7Å; I345-W355 CarbonylContact C-O 3.58Å; I345-W355 WeakPolarHBondContact CA-O 3.44Å; V346-W355 PolarHBondContact N-O 2.61Å; V346-W355 PolarHBondContact O-N 3.02Å; Y351-W355 HydrophobicContact CD2-CB 4.14Å; Y351-W355 AromaticContact CD2-CD2 3.77Å; Y351-W355 HydrophobicContact CD2-CD2 3.77Å; Y351-W355 AromaticContact CD2-CE3 3.69Å; Y351-W355 HydrophobicContact CD2-CE3 3.69Å; Y351-W355 AromaticContact CD2-CG 3.99Å; Y351-W355 HydrophobicContact CD2-CG 3.99Å; Y351-W355 HydrophobicContact CD2-CZ3 4.31Å; Y351-W355 HydrophobicContact CE2-CB 4.4Å; Y351-W355 AromaticContact CE2-CD2 3.74Å; Y351-W355 HydrophobicContact CE2-CD2 3.74Å; Y351-W355 HydrophobicContact CE2-CE3 4.07Å; Y351-W355 AromaticContact CE2-CG 3.89Å; Y351-W355 HydrophobicContact CE2-CG 3.89Å; E353-W355 HydrophobicContact CG-CE3 3.91Å; E353-W355 HydrophobicContact CG-CZ3 3.96Å; W355-F357 HydrophobicContact CB-CE2 4.02Å; W355-F357 AromaticContact CD1-CE2 3.88Å; W355-F357 HydrophobicContact CG-CE2 4.34Å |
| 356 | V | 98.8 | Very high | 95.7 | Very high | 4 Ų | 4 | 49.2 Ų | 49.2 | 2% | 0.024 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 132.1 | 175.9 | -179.2 | 0 | 0 | 0 | 0 | 109.3 | G316 N317 V319 L325 K343 E344 I345 Y358 | G316-V356 VanDerWaalsContact CA-O 3.23Å; G316-V356 WeakPolarHBondContact CA-O 3.42Å; G316-V356 PolarHBondContact N-O 3Å; N317-V356 PolarHBondContact O-N 2.9Å; V319-V356 HydrophobicContact CB-CG2 4.22Å; V319-V356 HydrophobicContact CG2-CG2 4.32Å; L325-V356 HydrophobicContact CD1-CG2 3.91Å; L325-V356 HydrophobicContact CD2-CB 4.08Å; L325-V356 HydrophobicContact CD2-CG1 4.3Å; L325-V356 HydrophobicContact CD2-CG2 4.27Å; K343-V356 HydrophobicContact CB-CG1 3.83Å; K343-V356 HydrophobicContact CD-CG1 4.08Å; K343-V356 HydrophobicContact CG-CG1 4.42Å; E344-V356 CarbonylContact O-C 3.45Å; E344-V356 WeakPolarHBondContact O-CA 3.34Å; I345-V356 HydrophobicContact CG1-CG2 4.47Å; V356-Y358 HydrophobicContact CG1-CD2 4.2Å; V356-Y358 HydrophobicContact CG1-CE2 3.66Å |
| 357 | F | 98.9 | Very high | 95.5 | Very high | 3 Ų | 3 | 50.7 Ų | 50.7 | 1% | 0.013 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 143.2 | 170.5 | -72.6 | -98.6 | 0 | 0 | 0 | 110.1 | Y177 A180 I181 Q315 K343 E344 V346 V348 W355 | Y177-F357 AromaticContact CD2-CE1 3.94Å; Y177-F357 HydrophobicContact CD2-CE1 3.94Å; Y177-F357 AromaticContact CD2-CZ 3.47Å; Y177-F357 HydrophobicContact CD2-CZ 3.47Å; Y177-F357 VanDerWaalsContact CD2-CZ 3.47Å; Y177-F357 AromaticContact CE2-CE1 3.85Å; Y177-F357 HydrophobicContact CE2-CE1 3.85Å; Y177-F357 AromaticContact CE2-CZ 3.74Å; Y177-F357 HydrophobicContact CE2-CZ 3.74Å; Y177-F357 HydrophobicContact CG-CE1 4.41Å; Y177-F357 HydrophobicContact CG-CZ 4.1Å; A180-F357 HydrophobicContact CB-CD1 3.96Å; A180-F357 HydrophobicContact CB-CD2 3.89Å; A180-F357 HydrophobicContact CB-CE1 4.1Å; A180-F357 HydrophobicContact CB-CE2 4.03Å; A180-F357 HydrophobicContact CB-CG 3.85Å; A180-F357 HydrophobicContact CB-CZ 4.12Å; I181-F357 HydrophobicContact CB-CD1 4.03Å; I181-F357 HydrophobicContact CB-CE1 3.9Å; I181-F357 HydrophobicContact CG1-CD1 4.24Å; I181-F357 HydrophobicContact CG1-CE1 4.29Å; Q315-F357 HydrophobicContact CB-CD1 4.14Å; Q315-F357 HydrophobicContact CB-CE1 3.78Å; Q315-F357 HydrophobicContact CB-CZ 4.37Å; K343-F357 CarbonylContact C-O 3.53Å; K343-F357 WeakPolarHBondContact CA-O 3.39Å; E344-F357 HydrophobicContact CG-CB 4.02Å; E344-F357 PolarHBondContact N-O 3.43Å; E344-F357 PolarHBondContact O-N 3.08Å; V346-F357 HydrophobicContact CB-CD2 3.81Å; V346-F357 HydrophobicContact CB-CE2 3.79Å; V346-F357 HydrophobicContact CG1-CE2 4.25Å; V346-F357 HydrophobicContact CG2-CD2 3.62Å; V346-F357 HydrophobicContact CG2-CE2 4.08Å; V346-F357 HydrophobicContact CG2-CG 4.48Å; V348-F357 HydrophobicContact CG2-CE2 4.22Å; V348-F357 HydrophobicContact CG2-CZ 4.33Å; W355-F357 HydrophobicContact CB-CE2 4.02Å; W355-F357 AromaticContact CD1-CE2 3.88Å; W355-F357 HydrophobicContact CG-CE2 4.34Å |
| 358 | Y | 98.9 | Very high | 95.3 | Very high | 2 Ų | 2 | 48.6 Ų | 48.6 | 1% | 0.008 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 139.6 | 179.7 | -73.9 | -94.7 | 0 | 0 | 0 | 111.5 | F313 T314 L325 Y328 E329 F341 K343 V356 | F313-Y358 WeakPolarHBondContact CA-O 3.47Å; T314-Y358 PolarHBondContact N-O 3.23Å; T314-Y358 PolarHBondContact O-N 3.46Å; L325-Y358 HydrophobicContact CD2-CE2 4.08Å; Y328-Y358 HydrophobicContact CD1-CD2 4.23Å; Y328-Y358 HydrophobicContact CD1-CE1 4.27Å; Y328-Y358 AromaticContact CD1-CE2 3.83Å; Y328-Y358 HydrophobicContact CD1-CE2 3.83Å; Y328-Y358 AromaticContact CD1-CZ 3.86Å; Y328-Y358 HydrophobicContact CE1-CD1 4.09Å; Y328-Y358 AromaticContact CE1-CD2 3.72Å; Y328-Y358 HydrophobicContact CE1-CD2 3.72Å; Y328-Y358 HydrophobicContact CE1-CE1 4.17Å; Y328-Y358 AromaticContact CE1-CE2 3.81Å; Y328-Y358 HydrophobicContact CE1-CE2 3.81Å; Y328-Y358 AromaticContact CE1-CG 3.88Å; Y328-Y358 HydrophobicContact CE1-CG 3.88Å; E329-Y358 HydrophobicContact CG-CE1 3.79Å; E329-Y358 WeakPolarHBondContact CG-OH 3.45Å; E329-Y358 WeakPolarHBondContact OE1-CE1 3.48Å; E329-Y358 PolarHBondContact OE1-OH 3.1Å; F341-Y358 AromaticContact CD2-CD1 3.78Å; F341-Y358 HydrophobicContact CD2-CD1 3.78Å; F341-Y358 AromaticContact CD2-CE1 3.83Å; F341-Y358 HydrophobicContact CD2-CE1 3.83Å; F341-Y358 HydrophobicContact CE2-CD1 4.3Å; F341-Y358 AromaticContact CE2-CE1 3.86Å; F341-Y358 HydrophobicContact CE2-CE1 3.86Å; K343-Y358 HydrophobicContact CB-CD1 4.14Å; K343-Y358 HydrophobicContact CB-CE1 4.05Å; K343-Y358 HydrophobicContact CD-CE1 4.2Å; V356-Y358 HydrophobicContact CG1-CD2 4.2Å; V356-Y358 HydrophobicContact CG1-CE2 3.66Å |
| 359 | T | 98.9 | Very high | 95.1 | Very high | 20 Ų | 20 | 51.2 Ų | 51.2 | 12% | 0.123 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 123 | 161.9 | -58 | 0 | 0 | 0 | 0 | 107.9 | K311 Y312 F313 F341 S342 W361 | K311-T359 HydrophobicContact CB-CG2 4.5Å; K311-T359 HydrophobicContact CD-CG2 4.06Å; K311-T359 HydrophobicContact CG-CG2 4.49Å; Y312-T359 CarbonylContact O-C 3.49Å; Y312-T359 WeakPolarHBondContact O-CA 3.26Å; F313-T359 HydrophobicContact CD1-CG2 3.97Å; F313-T359 WeakPolarHBondContact CD1-OG1 3.37Å; F313-T359 HydrophobicContact CE1-CG2 3.44Å; F313-T359 VanDerWaalsContact CE1-CG2 3.44Å; F313-T359 VanDerWaalsContact CE1-OG1 3.32Å; F313-T359 WeakPolarHBondContact CE1-OG1 3.47Å; F313-T359 HydrophobicContact CZ-CG2 4.24Å; F341-T359 CarbonylContact C-O 3.54Å; F341-T359 WeakPolarHBondContact CA-O 3.47Å; F341-T359 WeakPolarHBondContact CB-O 3.34Å; S342-T359 PolarHBondContact N-O 3.09Å; S342-T359 PolarHBondContact O-N 3.41Å; T359-W361 HydrophobicContact CG2-CE3 4.06Å; T359-W361 HydrophobicContact CG2-CZ3 4.16Å; T359-W361 WeakPolarHBondContact O-CZ3 3.12Å |
| 360 | V | 98.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 139.7 | -178.4 | -173.2 | 0 | 0 | 0 | 0 | 109.5 | M303 Y312 L332 V339 E340 F341 | M303-V360 HydrophobicContact SD-CG1 4.4Å; Y312-V360 HydrophobicContact CD1-CB 3.91Å; Y312-V360 HydrophobicContact CD1-CG2 3.89Å; Y312-V360 HydrophobicContact CE1-CG2 4.42Å; Y312-V360 PolarHBondContact N-O 3.37Å; Y312-V360 PolarHBondContact O-N 2.73Å; L332-V360 HydrophobicContact CD1-CG2 4.42Å; L332-V360 HydrophobicContact CD2-CG1 4.25Å; L332-V360 HydrophobicContact CD2-CG2 4Å; V339-V360 HydrophobicContact CB-CG1 3.81Å; V339-V360 HydrophobicContact CG1-CG1 4.19Å; V339-V360 HydrophobicContact CG2-CG1 4Å; E340-V360 WeakPolarHBondContact O-CA 3.33Å; F341-V360 HydrophobicContact CB-CB 4.45Å; F341-V360 HydrophobicContact CB-CG2 3.95Å |
| 361 | W | 98.8 | Very high | 94.7 | Very high | 77 Ų | 77 | 54.4 Ų | 54.4 | 29% | 0.292 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 157.3 | 175 | 61 | 93.9 | 0 | 0 | 0 | 111.4 | K311 V339 E340 T359 | K311-W361 HydrophobicContact CG-CB 4.41Å; V339-W361 CarbonylContact C-O 3.59Å; V339-W361 VanDerWaalsContact CA-O 3.26Å; V339-W361 WeakPolarHBondContact CA-O 3.38Å; V339-W361 WeakPolarHBondContact CB-O 3.4Å; E340-W361 HydrophobicContact CB-CD2 4.23Å; E340-W361 VanDerWaalsContact CB-CE2 3.49Å; E340-W361 HydrophobicContact CB-CH2 4.42Å; E340-W361 HydrophobicContact CB-CZ2 3.61Å; E340-W361 PolarHBondContact N-O 3.36Å; E340-W361 PolarHBondContact O-N 3.45Å; E340-W361 PolarHBondContact OE2-NE1 3.22Å; T359-W361 HydrophobicContact CG2-CE3 4.06Å; T359-W361 HydrophobicContact CG2-CZ3 4.16Å; T359-W361 WeakPolarHBondContact O-CZ3 3.12Å |
| 362 | K | 98.6 | Very high | 94.4 | Very high | 12 Ų | 12 | 57.1 Ų | 57.1 | 5% | 0.052 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 133.7 | 176.7 | -67.8 | 175 | 172.4 | 178.2 | 0 | 109.8 | M303 L306 Y336 | M303-K362 WeakPolarHBondContact O-CE 3.47Å; M303-K362 PolarHBondContact O-NZ 2.86Å; L306-K362 WeakPolarHBondContact O-CE 3.33Å; L306-K362 PolarHBondContact O-NZ 2.85Å; Y336-K362 WeakPolarHBondContact OH-CE 3.39Å; Y336-K362 PolarHBondContact OH-NZ 2.92Å |
| 363 | K | 97.1 | Very high | 94.1 | Very high | 107 Ų | 107 | 56.4 Ų | 56.4 | 47% | 0.465 | 30% | 0.304 | S | S | . | . | P | Polyproline II helix | trans | -62.8 | 141.7 | 173 | -168.8 | 169.6 | -173.1 | 166.5 | 0 | 109.8 | Q308 P338 E340 K365 | Q308-K363 PolarHBondContact NE2-O 3.24Å; P338-K363 HydrophobicContact CB-CB 4.12Å; P338-K363 HydrophobicContact CB-CD 4.39Å; P338-K363 HydrophobicContact CG-CB 4.19Å; P338-K363 WeakPolarHBondContact O-CB 3.29Å; P338-K363 PolarHBondContact O-N 3.2Å; E340-K363 HydrophobicContact CG-CB 4.49Å; E340-K363 HydrophobicContact CG-CG 4.46Å; K363-K365 PolarHBondContact O-N 2.64Å |
| 364 | A | 89.4 | Confident | 93.8 | Very high | 82 Ų | 82 | 58.8 Ų | 58.8 | 68% | 0.678 | 32% | 0.318 | S | S | * | . | P | Polyproline II helix | trans | -56.1 | 137.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||
| 365 | K | 79.1 | Confident | 93.4 | Very high | 164 Ų | 164 | 56.8 Ų | 56.8 | 71% | 0.713 | 31% | 0.309 | S | S | * | . | P | Polyproline II helix | trans | -64.7 | 133.2 | 173.2 | -68.5 | -179.1 | -179.3 | 173.8 | 0 | 108.4 | K363 | K363-K365 PolarHBondContact O-N 2.64Š|
| 366 | P | 64.4 | Low | 92.9 | Very high | 199 Ų | 199 | 60.9 Ų | 60.9 | 100% | 1.292 | 33% | 0.333 | S | S | * | . | trans | -62.7 | 0 | 177.5 | 26.2 | -33.6 | 0 | 0 | 0 | 112.8 |
Retrieved 366 of 366 residues in 1174.4 ms
(Link to these results)