| 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 | 44.4 | Very low | 42.7 | Very low | 245 Ų | 245 | 151.1 Ų | 151.1 | 100% | 1.207 | 87% | 0.868 | S | S | * | * | 0 | 106.2 | 0 | -78.3 | -178.6 | -91.8 | 0 | 0 | 106.4 | |||||
| 2 | T | 41.2 | Very low | 42.7 | Very low | 132 Ų | 132 | 146.7 Ų | 146.7 | 81% | 0.81 | 85% | 0.853 | S | S | * | * | trans | -87.7 | 137.3 | -154.3 | 35.4 | 0 | 0 | 0 | 0 | 111.9 | L4 | T2-L4 PolarHBondContact O-N 3.43Å; T2-L4 VanDerWaalsContact O-N 3.17Å | ||
| 3 | A | 44.4 | Very low | 42.7 | Very low | 100 Ų | 100 | 141.4 Ų | 141.4 | 83% | 0.826 | 84% | 0.837 | S | S | * | * | trans | -15.7 | 102.1 | 155 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 4 | L | 41.9 | Very low | 42.4 | Very low | 164 Ų | 164 | 137.8 Ų | 137.8 | 86% | 0.859 | 83% | 0.831 | S | S | * | * | trans | -161.4 | 64.3 | 165.4 | -134.5 | 113.1 | 0 | 0 | 0 | 109.9 | T2 | T2-L4 PolarHBondContact O-N 3.43Å; T2-L4 VanDerWaalsContact O-N 3.17Å | ||
| 5 | S | 45.1 | Very low | 42.3 | Very low | 116 Ų | 116 | 134.8 Ų | 134.8 | 81% | 0.811 | 82% | 0.819 | S | S | * | * | trans | -162.1 | 57.9 | 173 | -120.4 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 6 | L | 42.4 | Very low | 42.4 | Very low | 157 Ų | 157 | 136.4 Ų | 136.4 | 82% | 0.822 | 82% | 0.819 | S | S | * | * | trans | -170.2 | 84.9 | 168.2 | -103.6 | 136.7 | 0 | 0 | 0 | 107.2 | ||||
| 7 | I | 43.2 | Very low | 42.7 | Very low | 170 Ų | 170 | 137.4 Ų | 137.4 | 87% | 0.872 | 82% | 0.818 | S | S | * | * | trans | -176 | 82.6 | 149 | -78.4 | 136.7 | 0 | 0 | 0 | 104.1 | ||||
| 8 | L | 39.6 | Very low | 43.5 | Very low | 176 Ų | 176 | 132.9 Ų | 132.9 | 92% | 0.921 | 80% | 0.799 | S | S | * | * | trans | -156.1 | 52 | 150.7 | -137.4 | 87.8 | 0 | 0 | 0 | 106.4 | A10 | L8-A10 PolarHBondContact O-N 3.14Š| ||
| 9 | M | 42.3 | Very low | 45.1 | Very low | 176 Ų | 176 | 134.6 Ų | 134.6 | 87% | 0.867 | 80% | 0.797 | S | S | * | * | trans | -73.1 | 116.8 | 161.8 | -89.3 | -164.7 | -170.3 | 0 | 0 | 106.4 | V11 | M9-V11 PolarHBondContact O-N 3.46Š| ||
| 10 | A | 43.8 | Very low | 47.1 | Very low | 82 Ų | 82 | 130.8 Ų | 130.8 | 68% | 0.678 | 78% | 0.777 | S | S | * | * | trans | -38.7 | 119.7 | 172 | 0 | 0 | 0 | 0 | 0 | 111.5 | L8 S12 | L8-A10 PolarHBondContact O-N 3.14Å; A10-S12 PolarHBondContact O-N 3.44Å | ||
| 11 | V | 41.4 | Very low | 49.3 | Very low | 144 Ų | 144 | 126.6 Ų | 126.6 | 87% | 0.873 | 76% | 0.755 | S | S | * | * | trans | -73.2 | 74.6 | 149.4 | -178 | 0 | 0 | 0 | 0 | 105.5 | M9 A13 | M9-V11 PolarHBondContact O-N 3.46Å; V11-A13 PolarHBondContact O-N 3.34Å | ||
| 12 | S | 42.9 | Very low | 51.8 | Low | 98 Ų | 98 | 118.2 Ų | 118.2 | 69% | 0.685 | 72% | 0.717 | S | S | * | * | trans | -73.1 | 88.8 | 157.8 | 34.8 | 0 | 0 | 0 | 0 | 105.4 | A10 A14 | A10-S12 PolarHBondContact O-N 3.44Å; S12-A14 VanDerWaalsContact C-N 3.29Å; S12-A14 PolarHBondContact O-N 3.43Å | ||
| 13 | A | 42.1 | Very low | 54.4 | Low | 78 Ų | 78 | 114.4 Ų | 114.4 | 65% | 0.645 | 69% | 0.688 | S | S | * | * | trans | -54.6 | 104 | 159.2 | 0 | 0 | 0 | 0 | 0 | 105.9 | V11 S15 | V11-A13 PolarHBondContact O-N 3.34Å; A13-S15 PolarHBondContact O-N 2.67Å | ||
| 14 | A | 39.5 | Very low | 56.9 | Low | 91 Ų | 91 | 110.6 Ų | 110.6 | 75% | 0.752 | 65% | 0.653 | S | S | * | * | trans | -67.1 | 86.1 | 165.3 | 0 | 0 | 0 | 0 | 0 | 106 | S12 I16 | S12-A14 VanDerWaalsContact C-N 3.29Å; S12-A14 PolarHBondContact O-N 3.43Å; A14-I16 VanDerWaalsContact C-N 3.3Å; A14-I16 PolarHBondContact O-N 3.13Å | ||
| 15 | S | 40.5 | Very low | 59.6 | Low | 93 Ų | 93 | 108.3 Ų | 108.3 | 65% | 0.65 | 63% | 0.633 | S | S | * | * | trans | -58.1 | 105.6 | 154.2 | -51.8 | 0 | 0 | 0 | 0 | 104.7 | A13 L17 | A13-S15 PolarHBondContact O-N 2.67Å; S15-L17 PolarHBondContact O-N 2.91Å | ||
| 16 | I | 43.4 | Very low | 62.1 | Low | 161 Ų | 161 | 103.2 Ų | 103.2 | 83% | 0.826 | 60% | 0.597 | S | S | * | * | trans | -62 | 91 | 162.7 | -60 | 169.7 | 0 | 0 | 0 | 103.8 | A14 A18 | A14-I16 VanDerWaalsContact C-N 3.3Å; A14-I16 PolarHBondContact O-N 3.13Å; I16-A18 VanDerWaalsContact C-N 3.3Å; I16-A18 PolarHBondContact O-N 3.29Å | ||
| 17 | L | 47.3 | Very low | 64.6 | Low | 153 Ų | 153 | 97.4 Ų | 97.4 | 80% | 0.801 | 57% | 0.565 | S | S | * | * | trans | -67.8 | 101.7 | 165.8 | -70.2 | 170.4 | 0 | 0 | 0 | 103.9 | S15 E19 | S15-L17 PolarHBondContact O-N 2.91Å; L17-E19 PolarHBondContact O-N 3.25Å | ||
| 18 | A | 58 | Low | 67.1 | Low | 57 Ų | 57 | 89.5 Ų | 89.5 | 47% | 0.471 | 52% | 0.524 | S | S | . | . | trans | -52.9 | 124.3 | 167 | 0 | 0 | 0 | 0 | 0 | 106.9 | I16 S20 | I16-A18 VanDerWaalsContact C-N 3.3Å; I16-A18 PolarHBondContact O-N 3.29Å; A18-S20 PolarHBondContact O-N 3.26Å | ||
| 19 | E | 72.6 | Confident | 69.5 | Low | 165 Ų | 165 | 87.1 Ų | 87.1 | 77% | 0.771 | 51% | 0.509 | S | S | * | . | trans | -62.3 | 124.4 | 175 | -71.5 | 179.9 | 169.2 | 0 | 0 | 108.3 | L17 S21 N335 | L17-E19 PolarHBondContact O-N 3.25Å; E19-S21 PolarHBondContact O-N 2.97Å; E19-S21 VanDerWaalsContact O-N 3.14Å; E19-S21 PolarHBondContact O-OG 2.96Å; E19-N335 PolarHBondContact O-ND2 3.34Å | ||
| 20 | S | 85.8 | Confident | 71.9 | Confident | 57 Ų | 57 | 82.8 Ų | 82.8 | 40% | 0.399 | 49% | 0.489 | S | S | . | . | trans | -64.2 | 115.6 | 176.1 | 169.2 | 0 | 0 | 0 | 0 | 108.9 | A18 N335 V339 | A18-S20 PolarHBondContact O-N 3.26Å; S20-N335 WeakPolarHBondContact CA-OD1 3.49Å; S20-V339 VanDerWaalsContact OG-CG2 3.23Å; S20-V339 WeakPolarHBondContact OG-CG2 3.4Å | ||
| 21 | S | 92.9 | Very high | 74 | Confident | 43 Ų | 43 | 80.3 Ų | 80.3 | 30% | 0.301 | 47% | 0.471 | S | S | . | . | trans | -113.5 | 134.8 | 179.9 | -59.8 | 0 | 0 | 0 | 0 | 109.9 | E19 A334 N335 | E19-S21 PolarHBondContact O-N 2.97Å; E19-S21 VanDerWaalsContact O-N 3.14Å; E19-S21 PolarHBondContact O-OG 2.96Å; S21-A334 VanDerWaalsContact O-CA 3.29Å; S21-A334 WeakPolarHBondContact O-CA 3.22Å; S21-A334 WeakPolarHBondContact O-CB 3.37Å; S21-N335 PolarHBondContact N-OD1 3.46Å; S21-N335 PolarHBondContact O-N 3.47Å; S21-N335 PolarHBondContact O-OD1 3.32Å | ||
| 22 | V | 96.5 | Very high | 76.3 | Confident | 70 Ų | 70 | 79.5 Ų | 79.5 | 42% | 0.424 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 114.6 | 168.4 | 177.4 | 0 | 0 | 0 | 0 | 106.9 | R25 L332 V339 | V22-R25 HydrophobicContact CG1-CB 3.98Å; V22-L332 HydrophobicContact CG1-CD1 3.71Å; V22-L332 HydrophobicContact CG2-CD1 4.39Å; V22-V339 HydrophobicContact CG2-CG1 4.34Å |
| 23 | Y | 96.9 | Very high | 78.6 | Confident | 52 Ų | 52 | 76.6 Ų | 76.6 | 20% | 0.204 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | -36.2 | -177.1 | -53.4 | -70.1 | 0 | 0 | 0 | 112 | F85 Q90 I333 N335 | Y23-F85 HydrophobicContact CD1-CB 4.09Å; Y23-F85 AromaticContact CD1-CD1 3.85Å; Y23-F85 HydrophobicContact CD1-CD1 3.85Å; Y23-F85 AromaticContact CD1-CD2 3.89Å; Y23-F85 HydrophobicContact CD1-CD2 3.89Å; Y23-F85 HydrophobicContact CD1-CE1 4.22Å; Y23-F85 HydrophobicContact CD1-CE2 4.27Å; Y23-F85 AromaticContact CD1-CG 3.67Å; Y23-F85 HydrophobicContact CD1-CG 3.67Å; Y23-F85 HydrophobicContact CD1-CZ 4.43Å; Y23-F85 HydrophobicContact CD2-CD1 4.34Å; Y23-F85 HydrophobicContact CD2-CD2 4.04Å; Y23-F85 AromaticContact CD2-CE1 3.89Å; Y23-F85 HydrophobicContact CD2-CE1 3.89Å; Y23-F85 AromaticContact CD2-CE2 3.58Å; Y23-F85 HydrophobicContact CD2-CE2 3.58Å; Y23-F85 HydrophobicContact CD2-CG 4.41Å; Y23-F85 AromaticContact CD2-CZ 3.5Å; Y23-F85 HydrophobicContact CD2-CZ 3.5Å; Y23-F85 HydrophobicContact CE1-CB 4.16Å; Y23-F85 HydrophobicContact CE1-CD1 4.5Å; Y23-F85 AromaticContact CE1-CD2 3.72Å; Y23-F85 HydrophobicContact CE1-CD2 3.72Å; Y23-F85 HydrophobicContact CE1-CE2 4.23Å; Y23-F85 AromaticContact CE1-CG 3.88Å; Y23-F85 HydrophobicContact CE1-CG 3.88Å; Y23-F85 AromaticContact CE2-CD2 3.86Å; Y23-F85 HydrophobicContact CE2-CD2 3.86Å; Y23-F85 AromaticContact CE2-CE2 3.51Å; Y23-F85 HydrophobicContact CE2-CE2 3.51Å; Y23-F85 AromaticContact CE2-CZ 3.94Å; Y23-F85 HydrophobicContact CE2-CZ 3.94Å; Y23-F85 AromaticContact CG-CD1 3.76Å; Y23-F85 HydrophobicContact CG-CD1 3.76Å; Y23-F85 HydrophobicContact CG-CD2 4.04Å; Y23-F85 AromaticContact CG-CE1 3.65Å; Y23-F85 HydrophobicContact CG-CE1 3.65Å; Y23-F85 AromaticContact CG-CE2 3.96Å; Y23-F85 HydrophobicContact CG-CE2 3.96Å; Y23-F85 AromaticContact CG-CG 3.95Å; Y23-F85 HydrophobicContact CG-CG 3.95Å; Y23-F85 AromaticContact CG-CZ 3.77Å; Y23-F85 HydrophobicContact CG-CZ 3.77Å; Y23-F85 AromaticContact CZ-CD2 3.7Å; Y23-F85 AromaticContact CZ-CE2 3.85Å; Y23-Q90 PolarHBondContact OH-OE1 3.27Å; Y23-Q90 VanDerWaalsContact OH-OE1 3.1Å; Y23-I333 HydrophobicContact CD2-CG2 4.22Å; Y23-I333 PolarHBondContact N-O 2.96Å; Y23-N335 HydrophobicContact CE2-CB 3.87Å; Y23-N335 WeakPolarHBondContact OH-CB 3.37Å; Y23-N335 PolarHBondContact OH-ND2 2.97Å |
| 24 | F | 97.8 | Very high | 81 | Confident | 19 Ų | 19 | 73.4 Ų | 73.4 | 8% | 0.083 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 138.7 | 177 | -178.5 | -106.5 | 0 | 0 | 0 | 109.9 | E26 W38 A80 F82 I315 F331 L332 I333 | F24-E26 HydrophobicContact CE1-CB 3.87Å; F24-E26 HydrophobicContact CZ-CB 3.71Å; F24-W38 HydrophobicContact CZ-CZ2 4.18Å; F24-A80 HydrophobicContact CE2-CB 4.06Å; F24-A80 HydrophobicContact CZ-CB 3.95Å; F24-F82 HydrophobicContact CB-CB 4.41Å; F24-F82 HydrophobicContact CB-CD1 3.86Å; F24-F82 HydrophobicContact CB-CD2 4.42Å; F24-F82 HydrophobicContact CB-CE1 4.22Å; F24-F82 HydrophobicContact CB-CG 3.97Å; F24-F82 HydrophobicContact CD2-CB 3.85Å; F24-F82 AromaticContact CD2-CD1 3.58Å; F24-F82 HydrophobicContact CD2-CD1 3.58Å; F24-F82 HydrophobicContact CD2-CE1 4.46Å; F24-F82 AromaticContact CD2-CG 3.96Å; F24-F82 HydrophobicContact CD2-CG 3.96Å; F24-F82 HydrophobicContact CE2-CD1 4.27Å; F24-F82 AromaticContact CG-CD1 3.79Å; F24-F82 HydrophobicContact CG-CD1 3.79Å; F24-F82 HydrophobicContact CG-CE1 4.28Å; F24-F82 HydrophobicContact CG-CG 4.26Å; F24-I315 HydrophobicContact CD1-CG2 4.18Å; F24-I315 HydrophobicContact CE1-CD1 4.29Å; F24-I315 HydrophobicContact CE1-CG2 3.71Å; F24-I315 HydrophobicContact CE2-CG2 4.37Å; F24-I315 HydrophobicContact CZ-CG2 3.81Å; F24-F331 HydrophobicContact CD1-CB 4.18Å; F24-F331 HydrophobicContact CE1-CB 3.71Å; F24-F331 HydrophobicContact CE1-CG 4.42Å; F24-L332 CarbonylContact O-C 3.55Å; F24-L332 WeakPolarHBondContact O-CA 3.41Å; F24-I333 HydrophobicContact CB-CB 3.99Å; F24-I333 HydrophobicContact CB-CD1 3.97Å; F24-I333 HydrophobicContact CB-CG1 4.04Å; F24-I333 HydrophobicContact CD1-CD1 4.29Å; F24-I333 HydrophobicContact CD1-CG1 4.36Å; F24-I333 HydrophobicContact CG-CD1 4.45Å; F24-I333 PolarHBondContact N-O 3.22Å; F24-I333 PolarHBondContact O-N 3.42Å |
| 25 | R | 97.1 | Very high | 83.4 | Confident | 116 Ų | 116 | 73.9 Ų | 73.9 | 44% | 0.438 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 128.5 | 173.2 | -176.7 | 173.4 | 174.4 | 159.2 | 1.6 | 109.5 | V22 Q27 F331 L332 | V22-R25 HydrophobicContact CG1-CB 3.98Å; R25-Q27 VanDerWaalsContact CZ-OE1 3.27Å; R25-F331 VanDerWaalsContact CA-O 3.28Å; R25-F331 WeakPolarHBondContact CA-O 3.17Å; R25-L332 HydrophobicContact CB-CD1 4.39Å; R25-L332 HydrophobicContact CG-CD1 4.48Å |
| 26 | E | 97.2 | Very high | 85.9 | Confident | 10 Ų | 10 | 74.5 Ų | 74.5 | 5% | 0.047 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 133 | 177.5 | 177 | 67.9 | -90.2 | 0 | 0 | 109.9 | F24 F28 R37 W38 N330 F331 | F24-E26 HydrophobicContact CE1-CB 3.87Å; F24-E26 HydrophobicContact CZ-CB 3.71Å; E26-F28 HydrophobicContact CG-CD1 3.92Å; E26-F28 HydrophobicContact CG-CD2 4.14Å; E26-F28 HydrophobicContact CG-CE1 3.44Å; E26-F28 VanDerWaalsContact CG-CE1 3.44Å; E26-F28 HydrophobicContact CG-CE2 3.68Å; E26-F28 HydrophobicContact CG-CG 4.24Å; E26-F28 HydrophobicContact CG-CZ 3.28Å; E26-F28 PolarHBondContact OE1-N 2.89Å; E26-R37 IonicContact OE1-CZ 3.97Å; E26-R37 IonicContact OE1-NE 3.18Å; E26-R37 IonicContact OE1-NH2 3.75Å; E26-R37 PolarHBondContact OE1-NH2 3.47Å; E26-R37 IonicContact OE2-CZ 3.61Å; E26-R37 IonicContact OE2-NE 3.73Å; E26-R37 PolarHBondContact OE2-NE 3.02Å; E26-R37 IonicContact OE2-NH2 3.22Å; E26-R37 PolarHBondContact OE2-NH2 3.14Å; E26-W38 HydrophobicContact CB-CZ2 4.5Å; E26-W38 HydrophobicContact CG-CZ2 4.04Å; E26-W38 PolarHBondContact OE2-NE1 3.46Å; E26-N330 CarbonylContact O-C 3.56Å; E26-N330 WeakPolarHBondContact O-CA 3.37Å; E26-F331 HydrophobicContact CB-CB 4.21Å; E26-F331 HydrophobicContact CB-CD2 4.17Å; E26-F331 HydrophobicContact CG-CD2 4.27Å; E26-F331 PolarHBondContact N-O 3.24Å; E26-F331 PolarHBondContact O-N 2.85Å |
| 27 | Q | 95.4 | Very high | 88.3 | Confident | 35 Ų | 35 | 70.7 Ų | 70.7 | 16% | 0.164 | 39% | 0.385 | C | S | . | . | trans | -140.2 | 0.1 | -177.6 | -64.4 | -177.2 | -105.9 | 0 | 0 | 112.7 | R25 E29 D329 | R25-Q27 VanDerWaalsContact CZ-OE1 3.27Å; Q27-E29 HydrophobicContact CB-CG 3.95Å; Q27-E29 PolarHBondContact NE2-OE1 3.45Å; Q27-E29 PolarHBondContact O-N 3.21Å; Q27-D329 WeakPolarHBondContact CA-OD1 3.42Å | ||
| 28 | F | 95.4 | Very high | 90.7 | Very high | 3 Ų | 3 | 64 Ų | 64 | 1% | 0.013 | 35% | 0.349 | C | S | . | . | trans | 53.8 | 23.1 | 176.7 | -45.6 | -79.4 | 0 | 0 | 0 | 116.7 | E26 D30 F34 W38 L52 L67 D329 F331 | E26-F28 HydrophobicContact CG-CD1 3.92Å; E26-F28 HydrophobicContact CG-CD2 4.14Å; E26-F28 HydrophobicContact CG-CE1 3.44Å; E26-F28 VanDerWaalsContact CG-CE1 3.44Å; E26-F28 HydrophobicContact CG-CE2 3.68Å; E26-F28 HydrophobicContact CG-CG 4.24Å; E26-F28 HydrophobicContact CG-CZ 3.28Å; E26-F28 PolarHBondContact OE1-N 2.89Å; F28-D30 PolarHBondContact O-N 3Å; F28-D30 VanDerWaalsContact O-N 3.16Å; F28-F34 HydrophobicContact CD1-CB 3.7Å; F28-F34 HydrophobicContact CD1-CG 4.12Å; F28-F34 HydrophobicContact CE1-CB 4.1Å; F28-F34 HydrophobicContact CE1-CD2 4.47Å; F28-F34 HydrophobicContact CE1-CG 4.44Å; F28-W38 AromaticContact CE1-CE2 3.93Å; F28-W38 HydrophobicContact CE1-CZ2 4.3Å; F28-W38 AromaticContact CE1-NE1 3.46Å; F28-W38 AromaticContact CZ-CE2 3.99Å; F28-W38 AromaticContact CZ-CZ2 3.87Å; F28-W38 HydrophobicContact CZ-CZ2 3.87Å; F28-W38 AromaticContact CZ-NE1 3.93Å; F28-L52 HydrophobicContact CB-CD1 3.52Å; F28-L52 HydrophobicContact CD1-CD1 4.32Å; F28-L52 HydrophobicContact CG-CD1 3.96Å; F28-L67 HydrophobicContact CD1-CD2 4.45Å; F28-L67 HydrophobicContact CD1-CG 4.35Å; F28-L67 HydrophobicContact CE1-CD1 3.72Å; F28-L67 HydrophobicContact CE1-CD2 3.91Å; F28-L67 HydrophobicContact CE1-CG 3.56Å; F28-L67 HydrophobicContact CE2-CD1 4.4Å; F28-L67 HydrophobicContact CE2-CG 4.07Å; F28-L67 HydrophobicContact CZ-CD1 3.43Å; F28-L67 VanDerWaalsContact CZ-CD1 3.43Å; F28-L67 HydrophobicContact CZ-CD2 4.28Å; F28-L67 HydrophobicContact CZ-CG 3.41Å; F28-L67 VanDerWaalsContact CZ-CG 3.41Å; F28-D329 VanDerWaalsContact CD2-OD1 3.28Å; F28-D329 WeakPolarHBondContact CD2-OD1 3.35Å; F28-F331 AromaticContact CE2-CD2 3.95Å; F28-F331 HydrophobicContact CE2-CD2 3.95Å; F28-F331 AromaticContact CE2-CE2 3.7Å; F28-F331 HydrophobicContact CE2-CE2 3.7Å; F28-F331 HydrophobicContact CZ-CD2 4.05Å; F28-F331 AromaticContact CZ-CE2 3.71Å; F28-F331 HydrophobicContact CZ-CE2 3.71Å | ||
| 29 | E | 91.3 | Very high | 92.6 | Very high | 127 Ų | 127 | 64.8 Ų | 64.8 | 59% | 0.593 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69 | -11.7 | -178.9 | -62.2 | -178.5 | 174.1 | 0 | 0 | 113.4 | Q27 | Q27-E29 HydrophobicContact CB-CG 3.95Å; Q27-E29 PolarHBondContact NE2-OE1 3.45Å; Q27-E29 PolarHBondContact O-N 3.21Å |
| 30 | D | 91.3 | Very high | 93.7 | Very high | 85 Ų | 85 | 62 Ų | 62 | 46% | 0.455 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.1 | 22 | -175 | 61.7 | -6.6 | 0 | 0 | 0 | 114.1 | F28 D32 A33 R37 | F28-D30 PolarHBondContact O-N 3Å; F28-D30 VanDerWaalsContact O-N 3.16Å; D30-D32 PolarHBondContact O-N 2.98Å; D30-A33 HydrophobicContact CB-CB 4.18Å; D30-A33 WeakPolarHBondContact O-CB 3.35Å; D30-A33 PolarHBondContact O-N 3.11Å; D30-A33 WeakPolarHBondContact OD2-CB 3.41Å; D30-R37 IonicContact OD1-CZ 3.15Å; D30-R37 IonicContact OD1-NH1 3.76Å; D30-R37 PolarHBondContact OD1-NH1 3.41Å; D30-R37 IonicContact OD1-NH2 3.63Å; D30-R37 PolarHBondContact OD1-NH2 3.39Å; D30-R37 IonicContact OD2-CZ 2.96Å; D30-R37 IonicContact OD2-NH1 3.8Å; D30-R37 PolarHBondContact OD2-NH1 3.18Å; D30-R37 IonicContact OD2-NH2 2.88Å; D30-R37 PolarHBondContact OD2-NH2 3.11Å |
| 31 | G | 89.3 | Confident | 94.3 | Very high | 29 Ų | 29 | 59.7 Ų | 59.7 | 30% | 0.299 | 32% | 0.315 | S | S | . | . | G | 310 helix | trans | 62.4 | -133.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | A33 F34 | G31-A33 PolarHBondContact O-N 3.35Å; G31-F34 WeakPolarHBondContact O-CD1 3.31Å |
| 32 | D | 89.1 | Confident | 94.5 | Very high | 127 Ų | 127 | 64.3 Ų | 64.3 | 68% | 0.679 | 33% | 0.33 | S | S | * | . | G | 310 helix | trans | -67 | -4.3 | -173.8 | -63.9 | -32.9 | 0 | 0 | 0 | 115 | D30 F34 N35 | D30-D32 PolarHBondContact O-N 2.98Å; D32-F34 PolarHBondContact O-N 3.08Å; D32-N35 WeakPolarHBondContact O-CB 3.4Å; D32-N35 PolarHBondContact O-N 3.43Å; D32-N35 PolarHBondContact O-ND2 3Å |
| 33 | A | 91.3 | Very high | 94.5 | Very high | 38 Ų | 38 | 64.9 Ų | 64.9 | 31% | 0.314 | 33% | 0.327 | S | S | . | . | G | 310 helix | trans | -62.4 | -22.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | D30 G31 N35 S36 | D30-A33 HydrophobicContact CB-CB 4.18Å; D30-A33 WeakPolarHBondContact O-CB 3.35Å; D30-A33 PolarHBondContact O-N 3.11Å; D30-A33 WeakPolarHBondContact OD2-CB 3.41Å; G31-A33 PolarHBondContact O-N 3.35Å; A33-N35 PolarHBondContact O-N 2.92Å; A33-N35 VanDerWaalsContact O-N 3.17Å; A33-S36 WeakPolarHBondContact O-CB 3.3Å; A33-S36 PolarHBondContact O-N 3.31Å; A33-S36 PolarHBondContact O-OG 3.09Å |
| 34 | F | 91.3 | Very high | 94.4 | Very high | 11 Ų | 11 | 66.4 Ų | 66.4 | 5% | 0.048 | 34% | 0.335 | C | S | . | . | G | 310 helix | trans | -57.4 | -29.1 | 175.2 | 86.6 | -88.5 | 0 | 0 | 0 | 113 | F28 G31 D32 S36 R37 W38 L52 L67 | F28-F34 HydrophobicContact CD1-CB 3.7Å; F28-F34 HydrophobicContact CD1-CG 4.12Å; F28-F34 HydrophobicContact CE1-CB 4.1Å; F28-F34 HydrophobicContact CE1-CD2 4.47Å; F28-F34 HydrophobicContact CE1-CG 4.44Å; G31-F34 WeakPolarHBondContact O-CD1 3.31Å; D32-F34 PolarHBondContact O-N 3.08Å; F34-S36 PolarHBondContact O-N 3.39Å; F34-R37 PolarHBondContact O-N 3.43Å; F34-W38 HydrophobicContact CD2-CB 4.34Å; F34-W38 HydrophobicContact CD2-CG 4.4Å; F34-W38 PolarHBondContact O-N 3.33Å; F34-L52 HydrophobicContact CD1-CD2 4.36Å; F34-L52 HydrophobicContact CE1-CB 4.02Å; F34-L52 HydrophobicContact CE1-CD2 4.47Å; F34-L67 HydrophobicContact CD2-CD2 3.78Å; F34-L67 HydrophobicContact CE2-CD2 3.56Å; F34-L67 HydrophobicContact CZ-CD2 4.21Å |
| 35 | N | 90.7 | Very high | 94.2 | Very high | 101 Ų | 101 | 71.8 Ų | 71.8 | 54% | 0.54 | 38% | 0.375 | S | S | . | . | G | 310 helix | trans | -61.4 | -17.8 | 177 | -67.4 | -60.5 | 0 | 0 | 0 | 113.4 | D32 A33 | D32-N35 WeakPolarHBondContact O-CB 3.4Å; D32-N35 PolarHBondContact O-N 3.43Å; D32-N35 PolarHBondContact O-ND2 3Å; A33-N35 PolarHBondContact O-N 2.92Å; A33-N35 VanDerWaalsContact O-N 3.17Å |
| 36 | S | 92.8 | Very high | 94.1 | Very high | 105 Ų | 105 | 70.4 Ų | 70.4 | 73% | 0.734 | 38% | 0.376 | S | S | * | . | G | 310 helix | trans | -86.6 | -21.6 | 173.8 | 69.7 | 0 | 0 | 0 | 0 | 113.4 | A33 F34 | A33-S36 WeakPolarHBondContact O-CB 3.3Å; A33-S36 PolarHBondContact O-N 3.31Å; A33-S36 PolarHBondContact O-OG 3.09Å; F34-S36 PolarHBondContact O-N 3.39Å |
| 37 | R | 95.2 | Very high | 94.1 | Very high | 81 Ų | 81 | 71.3 Ų | 71.3 | 31% | 0.306 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.1 | -34.7 | -177.9 | -60.8 | -171.5 | -66.9 | -89.8 | 10.4 | 112.3 | E26 D30 F34 | E26-R37 IonicContact OE1-CZ 3.97Å; E26-R37 IonicContact OE1-NE 3.18Å; E26-R37 IonicContact OE1-NH2 3.75Å; E26-R37 PolarHBondContact OE1-NH2 3.47Å; E26-R37 IonicContact OE2-CZ 3.61Å; E26-R37 IonicContact OE2-NE 3.73Å; E26-R37 PolarHBondContact OE2-NE 3.02Å; E26-R37 IonicContact OE2-NH2 3.22Å; E26-R37 PolarHBondContact OE2-NH2 3.14Å; D30-R37 IonicContact OD1-CZ 3.15Å; D30-R37 IonicContact OD1-NH1 3.76Å; D30-R37 PolarHBondContact OD1-NH1 3.41Å; D30-R37 IonicContact OD1-NH2 3.63Å; D30-R37 PolarHBondContact OD1-NH2 3.39Å; D30-R37 IonicContact OD2-CZ 2.96Å; D30-R37 IonicContact OD2-NH1 3.8Å; D30-R37 PolarHBondContact OD2-NH1 3.18Å; D30-R37 IonicContact OD2-NH2 2.88Å; D30-R37 PolarHBondContact OD2-NH2 3.11Å; F34-R37 PolarHBondContact O-N 3.43Å |
| 38 | W | 97.4 | Very high | 94.2 | Very high | 12 Ų | 12 | 69.9 Ų | 69.9 | 5% | 0.045 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 137.2 | -178.9 | -66.9 | 80.7 | 0 | 0 | 0 | 111.1 | F24 E26 F28 F34 L67 L78 S79 A80 I315 L317 F331 | F24-W38 HydrophobicContact CZ-CZ2 4.18Å; E26-W38 HydrophobicContact CB-CZ2 4.5Å; E26-W38 HydrophobicContact CG-CZ2 4.04Å; E26-W38 PolarHBondContact OE2-NE1 3.46Å; F28-W38 AromaticContact CE1-CE2 3.93Å; F28-W38 HydrophobicContact CE1-CZ2 4.3Å; F28-W38 AromaticContact CE1-NE1 3.46Å; F28-W38 AromaticContact CZ-CE2 3.99Å; F28-W38 AromaticContact CZ-CZ2 3.87Å; F28-W38 HydrophobicContact CZ-CZ2 3.87Å; F28-W38 AromaticContact CZ-NE1 3.93Å; F34-W38 HydrophobicContact CD2-CB 4.34Å; F34-W38 HydrophobicContact CD2-CG 4.4Å; F34-W38 PolarHBondContact O-N 3.33Å; W38-L67 HydrophobicContact CD2-CD1 4.05Å; W38-L67 HydrophobicContact CE3-CD1 4.16Å; W38-L67 HydrophobicContact CH2-CD1 4.16Å; W38-L67 HydrophobicContact CZ2-CD1 4.1Å; W38-L67 HydrophobicContact CZ3-CD1 4.2Å; W38-L78 HydrophobicContact CB-CD1 4.13Å; W38-L78 HydrophobicContact CB-CD2 3.91Å; W38-L78 HydrophobicContact CB-CG 4Å; W38-L78 HydrophobicContact CD2-CD2 3.95Å; W38-L78 HydrophobicContact CD2-CG 4.4Å; W38-L78 HydrophobicContact CE3-CB 4.49Å; W38-L78 HydrophobicContact CE3-CD2 3.54Å; W38-L78 HydrophobicContact CE3-CG 3.74Å; W38-L78 HydrophobicContact CG-CD2 4.14Å; W38-L78 HydrophobicContact CZ3-CD2 4.31Å; W38-S79 CarbonylContact C-O 3.53Å; W38-S79 WeakPolarHBondContact CA-O 3.39Å; W38-A80 HydrophobicContact CD2-CB 3.67Å; W38-A80 HydrophobicContact CE3-CB 3.86Å; W38-A80 HydrophobicContact CG-CB 4.13Å; W38-A80 HydrophobicContact CH2-CB 4.35Å; W38-A80 HydrophobicContact CZ2-CB 4.13Å; W38-A80 HydrophobicContact CZ3-CB 4.21Å; W38-I315 HydrophobicContact CH2-CG2 4.37Å; W38-L317 HydrophobicContact CH2-CD1 4.26Å; W38-L317 HydrophobicContact CZ3-CD1 3.96Å; W38-L317 HydrophobicContact CZ3-CG 4.33Å; W38-F331 HydrophobicContact CH2-CD2 4.32Å; W38-F331 HydrophobicContact CH2-CE1 4.47Å; W38-F331 AromaticContact CH2-CE2 3.99Å; W38-F331 HydrophobicContact CH2-CE2 3.99Å; W38-F331 HydrophobicContact CH2-CZ 4.04Å; W38-F331 HydrophobicContact CZ2-CD2 4.06Å; W38-F331 AromaticContact CZ2-CE2 3.97Å; W38-F331 HydrophobicContact CZ2-CE2 3.97Å; W38-F331 HydrophobicContact CZ2-CZ 4.49Å |
| 39 | M | 97.2 | Very high | 94.2 | Very high | 74 Ų | 74 | 75.9 Ų | 75.9 | 37% | 0.365 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 125.9 | -178 | -177.6 | 174.2 | -68.5 | 0 | 0 | 110.1 | L78 S79 Q120 E121 | M39-L78 WeakPolarHBondContact O-CA 3.32Å; M39-S79 PolarHBondContact N-O 3.12Å; M39-S79 PolarHBondContact O-N 2.96Å; M39-S79 PolarHBondContact O-OG 2.84Å; M39-Q120 HydrophobicContact CB-CB 4.34Å; M39-Q120 HydrophobicContact CG-CB 4.22Å; M39-Q120 HydrophobicContact SD-CB 3.55Å; M39-Q120 VanDerWaalsContact SD-CB 3.55Å; M39-E121 HydrophobicContact SD-CG 3.7Å |
| 40 | E | 96.8 | Very high | 94.5 | Very high | 107 Ų | 107 | 70.7 Ų | 70.7 | 50% | 0.5 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 136.1 | 171.1 | -68.3 | -177.5 | 169.7 | 0 | 0 | 110.4 | L78 | E40-L78 HydrophobicContact CB-CD1 4.27Å; E40-L78 HydrophobicContact CG-CD1 3.45Å; E40-L78 VanDerWaalsContact CG-CD1 3.45Å |
| 41 | S | 97.7 | Very high | 94.7 | Very high | 8 Ų | 8 | 70.1 Ų | 70.1 | 6% | 0.056 | 38% | 0.375 | C | S | . | . | trans | -69.3 | 145.1 | 171.6 | -179.8 | 0 | 0 | 0 | 0 | 111.1 | H43 Y47 A77 M123 | S41-H43 WeakPolarHBondContact OG-CB 3.49Å; S41-H43 PolarHBondContact OG-N 2.73Å; S41-Y47 WeakPolarHBondContact O-CD2 3.29Å; S41-A77 PolarHBondContact N-O 3.24Å; S41-M123 VanDerWaalsContact CB-O 3.23Å; S41-M123 WeakPolarHBondContact CB-O 3.33Å; S41-M123 PolarHBondContact OG-N 2.63Å; S41-M123 PolarHBondContact OG-O 3.03Å | ||
| 42 | K | 96.9 | Very high | 95.1 | Very high | 141 Ų | 141 | 70.4 Ų | 70.4 | 61% | 0.613 | 37% | 0.37 | S | S | * | . | trans | -107.2 | 6.6 | 175.2 | -60.2 | 173.3 | -175.4 | 163.2 | 0 | 112.2 | K44 E121 | K42-K44 PolarHBondContact O-N 3.36Å; K42-E121 WeakPolarHBondContact CA-O 3.31Å; K42-E121 WeakPolarHBondContact CB-O 3.22Å; K42-E121 PolarHBondContact N-O 3.45Å; K42-E121 IonicContact NZ-OE1 3.55Å; K42-E121 PolarHBondContact NZ-OE1 2.98Å | ||
| 43 | H | 96.6 | Very high | 95.4 | Very high | 81 Ų | 81 | 65.9 Ų | 65.9 | 38% | 0.375 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -59 | -35.8 | 179.7 | -174.3 | 81 | 0 | 0 | 0 | 112.6 | S41 Y47 E121 D122 H124 | S41-H43 WeakPolarHBondContact OG-CB 3.49Å; S41-H43 PolarHBondContact OG-N 2.73Å; H43-Y47 HydrophobicContact CB-CE2 4.1Å; H43-E121 PolarHBondContact N-O 2.67Å; H43-D122 IonicContact CE1-OD1 2.62Å; H43-D122 IonicContact CG-OD1 2.74Å; H43-D122 IonicContact ND1-OD1 3.46Å; H43-D122 PolarHBondContact ND1-OD1 2.8Å; H43-H124 HydrophobicContact CB-CB 4.28Å; H43-H124 AromaticContact CD2-CG 3.85Å; H43-H124 AromaticContact CE1-CE1 4Å; H43-H124 AromaticContact CE1-CG 3.82Å; H43-H124 AromaticContact CE1-ND1 3.75Å; H43-H124 AromaticContact CG-CG 3.99Å; H43-H124 AromaticContact ND1-CG 3.98Å; H43-H124 AromaticContact ND1-ND1 3.66Å; H43-H124 AromaticContact NE2-CD2 3.98Å; H43-H124 AromaticContact NE2-CG 3.76Å |
| 44 | K | 94.4 | Very high | 95.7 | Very high | 84 Ų | 84 | 64.5 Ų | 64.5 | 37% | 0.365 | 34% | 0.337 | S | S | . | . | trans | -123.3 | 146.4 | 171 | -62.9 | -174.1 | 178.2 | 177 | 0 | 110.3 | K42 D46 Y47 | K42-K44 PolarHBondContact O-N 3.36Å; K44-D46 VanDerWaalsContact C-N 3.34Å; K44-Y47 HydrophobicContact CB-CD1 4.5Å; K44-Y47 HydrophobicContact CB-CD2 3.85Å; K44-Y47 HydrophobicContact CB-CE1 4.29Å; K44-Y47 HydrophobicContact CB-CE2 3.6Å; K44-Y47 HydrophobicContact CB-CG 4.29Å; K44-Y47 HydrophobicContact CD-CE1 4.21Å; K44-Y47 HydrophobicContact CG-CE1 4.43Å; K44-Y47 HydrophobicContact CG-CE2 4.13Å; K44-Y47 VanDerWaalsContact O-CD2 3.23Å; K44-Y47 WeakPolarHBondContact O-CD2 3.45Å | ||
| 45 | S | 93.8 | Very high | 95.9 | Very high | 133 Ų | 133 | 64.8 Ų | 64.8 | 93% | 0.93 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.3 | -15 | 178.3 | 53.6 | 0 | 0 | 0 | 0 | 113.6 | ||
| 46 | D | 95.3 | Very high | 96.1 | Very high | 86 Ų | 86 | 67.6 Ų | 67.6 | 46% | 0.46 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.2 | 24 | -173.3 | 68.7 | -24.7 | 0 | 0 | 0 | 113.2 | K44 R74 | K44-D46 VanDerWaalsContact C-N 3.34Å; D46-R74 WeakPolarHBondContact O-CD 3.34Å; D46-R74 PolarHBondContact O-NH1 2.69Å |
| 47 | Y | 97.3 | Very high | 96.3 | Very high | 29 Ų | 29 | 63 Ų | 63 | 11% | 0.114 | 32% | 0.317 | C | S | . | . | P | Polyproline II helix | trans | -57.1 | 145.2 | 169 | -75.7 | -57.7 | 0 | 0 | 0 | 111.4 | S41 H43 K44 R74 F75 A77 M123 | S41-Y47 WeakPolarHBondContact O-CD2 3.29Å; H43-Y47 HydrophobicContact CB-CE2 4.1Å; K44-Y47 HydrophobicContact CB-CD1 4.5Å; K44-Y47 HydrophobicContact CB-CD2 3.85Å; K44-Y47 HydrophobicContact CB-CE1 4.29Å; K44-Y47 HydrophobicContact CB-CE2 3.6Å; K44-Y47 HydrophobicContact CB-CG 4.29Å; K44-Y47 HydrophobicContact CD-CE1 4.21Å; K44-Y47 HydrophobicContact CG-CE1 4.43Å; K44-Y47 HydrophobicContact CG-CE2 4.13Å; K44-Y47 VanDerWaalsContact O-CD2 3.23Å; K44-Y47 WeakPolarHBondContact O-CD2 3.45Å; Y47-R74 PolarHBondContact O-NH1 2.99Å; Y47-F75 CarbonylContact C-O 3.48Å; Y47-F75 WeakPolarHBondContact CA-O 3.3Å; Y47-F75 HydrophobicContact CD1-CB 3.85Å; Y47-F75 WeakPolarHBondContact CD1-O 3.42Å; Y47-F75 HydrophobicContact CE1-CB 3.84Å; Y47-A77 HydrophobicContact CD1-CB 3.84Å; Y47-A77 HydrophobicContact CD2-CB 4.17Å; Y47-A77 HydrophobicContact CE1-CB 3.55Å; Y47-A77 HydrophobicContact CE2-CB 3.89Å; Y47-A77 HydrophobicContact CG-CB 4.16Å; Y47-M123 PolarHBondContact OH-O 3.12Å |
| 48 | G | 96.4 | Very high | 96.4 | Very high | 5 Ų | 5 | 62.5 Ų | 62.5 | 5% | 0.052 | 32% | 0.316 | C | S | . | . | P | Polyproline II helix | trans | -72 | 150.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111 | F75 Y76 | G48-F75 PolarHBondContact N-O 3.42Å; G48-Y76 WeakPolarHBondContact O-CD1 3.43Å |
| 49 | K | 96.6 | Very high | 96.3 | Very high | 130 Ų | 130 | 63.1 Ų | 63.1 | 57% | 0.565 | 33% | 0.326 | S | S | * | . | P | Polyproline II helix | trans | -92 | 134.6 | -178.5 | -65.3 | -175.2 | 178.5 | -172 | 0 | 112.2 | S70 Y76 | K49-S70 WeakPolarHBondContact O-CB 3.41Å; K49-S70 PolarHBondContact O-N 3.34Å; K49-S70 PolarHBondContact O-OG 3.26Å; K49-Y76 WeakPolarHBondContact O-CE1 3.46Å |
| 50 | F | 96.9 | Very high | 96.2 | Very high | 18 Ų | 18 | 62.4 Ų | 62.4 | 8% | 0.079 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 141.2 | 165.4 | -72.1 | -82.8 | 0 | 0 | 0 | 110.3 | L67 Q68 T69 Y76 L78 L317 F328 | F50-L67 HydrophobicContact CB-CD2 4.2Å; F50-L67 HydrophobicContact CD1-CB 3.88Å; F50-L67 HydrophobicContact CG-CB 4.46Å; F50-Q68 CarbonylContact C-O 3.59Å; F50-Q68 WeakPolarHBondContact CA-O 3.46Å; F50-T69 HydrophobicContact CD1-CG2 4.21Å; F50-T69 HydrophobicContact CE1-CG2 3.62Å; F50-T69 HydrophobicContact CZ-CG2 4.24Å; F50-Y76 HydrophobicContact CD1-CD1 4.44Å; F50-Y76 AromaticContact CD2-CD1 3.93Å; F50-Y76 HydrophobicContact CD2-CD1 3.93Å; F50-Y76 HydrophobicContact CE1-CD1 4.14Å; F50-Y76 AromaticContact CE2-CD1 3.6Å; F50-Y76 HydrophobicContact CE2-CD1 3.6Å; F50-Y76 HydrophobicContact CE2-CG 4.08Å; F50-Y76 HydrophobicContact CG-CD1 4.36Å; F50-Y76 AromaticContact CZ-CD1 3.72Å; F50-Y76 HydrophobicContact CZ-CD1 3.72Å; F50-Y76 AromaticContact CZ-CG 3.97Å; F50-Y76 HydrophobicContact CZ-CG 3.97Å; F50-L78 HydrophobicContact CB-CD2 4.39Å; F50-L78 HydrophobicContact CD2-CB 3.68Å; F50-L78 HydrophobicContact CD2-CD2 3.83Å; F50-L78 HydrophobicContact CD2-CG 4.22Å; F50-L78 HydrophobicContact CE2-CB 3.53Å; F50-L78 HydrophobicContact CE2-CD2 4.32Å; F50-L78 HydrophobicContact CG-CD2 4.17Å; F50-L317 HydrophobicContact CE1-CD1 4.28Å; F50-L317 HydrophobicContact CZ-CB 4.08Å; F50-L317 HydrophobicContact CZ-CD1 4.14Å; F50-F328 HydrophobicContact CE1-CD2 4.43Å; F50-F328 HydrophobicContact CE1-CE2 4.46Å |
| 51 | V | 96.3 | Very high | 96 | Very high | 72 Ų | 72 | 59.1 Ų | 59.1 | 44% | 0.436 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 138.1 | 176.1 | -179.3 | 0 | 0 | 0 | 0 | 108.1 | S53 Q68 | V51-S53 PolarHBondContact O-N 3.04Å; V51-Q68 PolarHBondContact N-O 3.48Å; V51-Q68 WeakPolarHBondContact O-CA 3.32Å; V51-Q68 WeakPolarHBondContact O-CB 3.46Å; V51-Q68 PolarHBondContact O-N 3.26Å |
| 52 | L | 96.8 | Very high | 95.8 | Very high | 36 Ų | 36 | 64.4 Ų | 64.4 | 19% | 0.188 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 118 | 174.7 | -173 | 65.8 | 0 | 0 | 0 | 109.7 | F28 F34 K65 G66 | F28-L52 HydrophobicContact CB-CD1 3.52Å; F28-L52 HydrophobicContact CD1-CD1 4.32Å; F28-L52 HydrophobicContact CG-CD1 3.96Å; F34-L52 HydrophobicContact CD1-CD2 4.36Å; F34-L52 HydrophobicContact CE1-CB 4.02Å; F34-L52 HydrophobicContact CE1-CD2 4.47Å; L52-K65 HydrophobicContact CD1-CB 3.99Å; L52-K65 HydrophobicContact CG-CB 4.16Å; L52-G66 WeakPolarHBondContact CA-O 3.26Å |
| 53 | S | 96.8 | Very high | 95.7 | Very high | 31 Ų | 31 | 63.4 Ų | 63.4 | 22% | 0.217 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.6 | 148 | -173.8 | 178.3 | 0 | 0 | 0 | 0 | 111.1 | V51 G55 G66 Q68 | V51-S53 PolarHBondContact O-N 3.04Å; S53-G55 PolarHBondContact OG-N 3.41Å; S53-G55 VanDerWaalsContact OG-N 3.07Å; S53-G66 PolarHBondContact N-O 2.88Å; S53-G66 PolarHBondContact O-N 3.31Å; S53-Q68 PolarHBondContact OG-OE1 3.26Å |
| 54 | A | 96.3 | Very high | 95.6 | Very high | 10 Ų | 10 | 60.4 Ų | 60.4 | 8% | 0.083 | 32% | 0.321 | C | S | . | . | trans | -92 | -1.7 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y58 D64 K65 | A54-Y58 HydrophobicContact CB-CD1 3.66Å; A54-Y58 HydrophobicContact CB-CE1 4.26Å; A54-Y58 HydrophobicContact CB-CG 4.06Å; A54-D64 WeakPolarHBondContact CA-O 3.4Å; A54-D64 HydrophobicContact CB-CB 4.45Å; A54-K65 HydrophobicContact CB-CG 4.13Å | ||
| 55 | G | 95.9 | Very high | 95.8 | Very high | 17 Ų | 17 | 59 Ų | 59 | 18% | 0.175 | 32% | 0.315 | C | S | . | . | trans | 79 | -165.5 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | S53 E101 | S53-G55 PolarHBondContact OG-N 3.41Å; S53-G55 VanDerWaalsContact OG-N 3.07Å; G55-E101 WeakPolarHBondContact CA-OE1 3.48Å; G55-E101 WeakPolarHBondContact CA-OE2 3.26Å | ||
| 56 | K | 95.4 | Very high | 95.9 | Very high | 160 Ų | 160 | 52.7 Ų | 52.7 | 70% | 0.696 | 27% | 0.27 | S | S | * | . | S | Bend | trans | -82.5 | -28.5 | -177.1 | -65.1 | -179.9 | -177.5 | 176.5 | 0 | 113.7 | E101 Q362 | K56-E101 PolarHBondContact N-OE2 3Å; K56-Q362 PolarHBondContact O-NE2 2.57Å |
| 57 | F | 96.1 | Very high | 96 | Very high | 9 Ų | 9 | 48.6 Ų | 48.6 | 4% | 0.039 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -137.5 | 147.8 | 175.9 | 62.3 | -84.4 | 0 | 0 | 0 | 108.5 | K99 E101 E168 Y169 E355 M358 K359 | F57-K99 VanDerWaalsContact CE2-NZ 3.26Å; F57-K99 VanDerWaalsContact CZ-CE 3.45Å; F57-K99 PolarHBondContact O-NZ 3.44Å; F57-E101 HydrophobicContact CE1-CB 4.11Å; F57-E101 HydrophobicContact CZ-CB 4.41Å; F57-E168 HydrophobicContact CZ-CB 4.11Å; F57-E168 WeakPolarHBondContact CZ-O 3.39Å; F57-Y169 HydrophobicContact CE2-CD1 4.02Å; F57-Y169 HydrophobicContact CE2-CE1 4.29Å; F57-E355 HydrophobicContact CD2-CG 3.53Å; F57-E355 HydrophobicContact CE2-CG 3.69Å; F57-M358 HydrophobicContact CB-CB 4.39Å; F57-M358 HydrophobicContact CB-CG 3.98Å; F57-M358 HydrophobicContact CB-SD 4.19Å; F57-K359 HydrophobicContact CB-CB 4.43Å; F57-K359 HydrophobicContact CD1-CG 4.24Å; F57-K359 HydrophobicContact CD2-CB 3.75Å; F57-K359 HydrophobicContact CD2-CD 4.28Å; F57-K359 HydrophobicContact CD2-CG 4.11Å; F57-K359 HydrophobicContact CE1-CD 4.16Å; F57-K359 HydrophobicContact CE1-CG 4.27Å; F57-K359 HydrophobicContact CE2-CB 4.11Å; F57-K359 HydrophobicContact CE2-CD 3.81Å; F57-K359 HydrophobicContact CE2-CG 4.15Å; F57-K359 HydrophobicContact CG-CB 4.02Å; F57-K359 HydrophobicContact CG-CG 4.16Å; F57-K359 HydrophobicContact CZ-CD 3.74Å; F57-K359 HydrophobicContact CZ-CG 4.23Å |
| 58 | Y | 96.7 | Very high | 96.1 | Very high | 70 Ų | 70 | 48.3 Ų | 48.3 | 28% | 0.275 | 25% | 0.248 | S | C | . | . | trans | -162.5 | 168.4 | -173.1 | 39.5 | -102.3 | 0 | 0 | 0 | 109.3 | A54 A61 M358 | A54-Y58 HydrophobicContact CB-CD1 3.66Å; A54-Y58 HydrophobicContact CB-CE1 4.26Å; A54-Y58 HydrophobicContact CB-CG 4.06Å; Y58-A61 HydrophobicContact CD2-CB 4.08Å; Y58-A61 HydrophobicContact CE2-CB 3.47Å; Y58-A61 VanDerWaalsContact CE2-CB 3.47Å; Y58-M358 HydrophobicContact CD2-SD 3.96Å; Y58-M358 HydrophobicContact CE1-CE 4.17Å; Y58-M358 HydrophobicContact CE2-CE 4.06Å; Y58-M358 HydrophobicContact CE2-SD 3.98Å; Y58-M358 HydrophobicContact CG-SD 4.29Å; Y58-M358 PolarHBondContact N-SD 3.07Å; Y58-M358 VanDerWaalsContact N-SD 3.39Å; Y58-M358 VanDerWaalsContact O-SD 3.37Å | ||
| 59 | G | 95.4 | Very high | 96.2 | Very high | 25 Ų | 25 | 48.1 Ų | 48.1 | 26% | 0.258 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -83 | -43.6 | 170 | 0 | 0 | 0 | 0 | 0 | 111.9 | D64 | G59-D64 VanDerWaalsContact CA-OD2 3.3Å; G59-D64 WeakPolarHBondContact CA-OD2 3.49Å; G59-D64 PolarHBondContact N-OD2 3.44Å |
| 60 | D | 95.2 | Very high | 96.2 | Very high | 58 Ų | 58 | 44.6 Ų | 44.6 | 31% | 0.31 | 24% | 0.238 | S | C | . | . | trans | -139.6 | 122.3 | 179.4 | -177.1 | -54.1 | 0 | 0 | 0 | 109.9 | E62 K63 D64 | D60-E62 PolarHBondContact O-N 2.99Å; D60-E62 VanDerWaalsContact O-N 3.12Å; D60-E62 PolarHBondContact OD1-N 3.35Å; D60-K63 HydrophobicContact CB-CB 4.02Å; D60-K63 HydrophobicContact CB-CD 4.35Å; D60-K63 HydrophobicContact CB-CG 4.38Å; D60-K63 PolarHBondContact O-N 3.01Å; D60-K63 PolarHBondContact OD1-N 3.46Å; D60-K63 IonicContact OD2-NZ 3.98Å; D60-D64 PolarHBondContact N-OD2 3.09Å; D60-D64 VanDerWaalsContact O-CB 3.31Å; D60-D64 WeakPolarHBondContact O-CB 3.39Å; D60-D64 PolarHBondContact O-N 2.96Å | ||
| 61 | A | 93 | Very high | 96.2 | Very high | 39 Ų | 39 | 46.7 Ų | 46.7 | 32% | 0.322 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -24.5 | -172.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y58 K65 | Y58-A61 HydrophobicContact CD2-CB 4.08Å; Y58-A61 HydrophobicContact CE2-CB 3.47Å; Y58-A61 VanDerWaalsContact CE2-CB 3.47Å; A61-K65 VanDerWaalsContact O-CE 3.24Å; A61-K65 WeakPolarHBondContact O-CE 3.27Å; A61-K65 WeakPolarHBondContact O-CG 3.41Å |
| 62 | E | 93.8 | Very high | 96.3 | Very high | 118 Ų | 118 | 48 Ų | 48 | 55% | 0.551 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.4 | -40 | -178.7 | -67.2 | -60.4 | 131.7 | 0 | 0 | 111.7 | D60 K65 | D60-E62 PolarHBondContact O-N 2.99Å; D60-E62 VanDerWaalsContact O-N 3.12Å; D60-E62 PolarHBondContact OD1-N 3.35Å; E62-K65 WeakPolarHBondContact OE1-CE 3.4Å; E62-K65 IonicContact OE1-NZ 2.76Å; E62-K65 PolarHBondContact OE1-NZ 3.44Å; E62-K65 IonicContact OE2-NZ 3.62Å; E62-K65 PolarHBondContact OE2-NZ 2.91Å |
| 63 | K | 94.2 | Very high | 96.2 | Very high | 121 Ų | 121 | 48.8 Ų | 48.8 | 53% | 0.526 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | -25.4 | -177.5 | -64.3 | 178.7 | -177.9 | 165.3 | 0 | 114.3 | D60 K65 | D60-K63 HydrophobicContact CB-CB 4.02Å; D60-K63 HydrophobicContact CB-CD 4.35Å; D60-K63 HydrophobicContact CB-CG 4.38Å; D60-K63 PolarHBondContact O-N 3.01Å; D60-K63 PolarHBondContact OD1-N 3.46Å; D60-K63 IonicContact OD2-NZ 3.98Å; K63-K65 VanDerWaalsContact C-N 3.27Å |
| 64 | D | 95.6 | Very high | 96.3 | Very high | 18 Ų | 18 | 51 Ų | 51 | 10% | 0.096 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.8 | 12.9 | -179.9 | -58.8 | -33.1 | 0 | 0 | 0 | 112.1 | A54 G59 D60 G66 T351 | A54-D64 WeakPolarHBondContact CA-O 3.4Å; A54-D64 HydrophobicContact CB-CB 4.45Å; G59-D64 VanDerWaalsContact CA-OD2 3.3Å; G59-D64 WeakPolarHBondContact CA-OD2 3.49Å; G59-D64 PolarHBondContact N-OD2 3.44Å; D60-D64 PolarHBondContact N-OD2 3.09Å; D60-D64 VanDerWaalsContact O-CB 3.31Å; D60-D64 WeakPolarHBondContact O-CB 3.39Å; D60-D64 PolarHBondContact O-N 2.96Å; D64-G66 PolarHBondContact O-N 3.35Å; D64-T351 VanDerWaalsContact CG-CG2 3.4Å; D64-T351 WeakPolarHBondContact OD1-CB 3.27Å; D64-T351 WeakPolarHBondContact OD1-CG2 2.88Å; D64-T351 PolarHBondContact OD1-OG1 3.5Å; D64-T351 WeakPolarHBondContact OD2-CG2 3.35Å |
| 65 | K | 97.1 | Very high | 96.3 | Very high | 54 Ų | 54 | 54.6 Ų | 54.6 | 24% | 0.235 | 28% | 0.282 | C | S | . | . | trans | -69.5 | 120 | 172.2 | -73.7 | 180 | -179.2 | 167.1 | 0 | 109.2 | L52 A54 A61 E62 K63 | L52-K65 HydrophobicContact CD1-CB 3.99Å; L52-K65 HydrophobicContact CG-CB 4.16Å; A54-K65 HydrophobicContact CB-CG 4.13Å; A61-K65 VanDerWaalsContact O-CE 3.24Å; A61-K65 WeakPolarHBondContact O-CE 3.27Å; A61-K65 WeakPolarHBondContact O-CG 3.41Å; E62-K65 WeakPolarHBondContact OE1-CE 3.4Å; E62-K65 IonicContact OE1-NZ 2.76Å; E62-K65 PolarHBondContact OE1-NZ 3.44Å; E62-K65 IonicContact OE2-NZ 3.62Å; E62-K65 PolarHBondContact OE2-NZ 2.91Å; K63-K65 VanDerWaalsContact C-N 3.27Å | ||
| 66 | G | 97.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | -179.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | L52 S53 D64 Q68 F328 | L52-G66 WeakPolarHBondContact CA-O 3.26Å; S53-G66 PolarHBondContact N-O 2.88Å; S53-G66 PolarHBondContact O-N 3.31Å; D64-G66 PolarHBondContact O-N 3.35Å; G66-Q68 PolarHBondContact O-N 3.49Å; G66-F328 CarbonylContact C-O 3.52Å; G66-F328 WeakPolarHBondContact CA-O 3.07Å |
| 67 | L | 97.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 106.9 | 175.6 | -67 | 173.2 | 0 | 0 | 0 | 109.6 | F28 F34 W38 F50 L78 L317 I327 F328 | F28-L67 HydrophobicContact CD1-CD2 4.45Å; F28-L67 HydrophobicContact CD1-CG 4.35Å; F28-L67 HydrophobicContact CE1-CD1 3.72Å; F28-L67 HydrophobicContact CE1-CD2 3.91Å; F28-L67 HydrophobicContact CE1-CG 3.56Å; F28-L67 HydrophobicContact CE2-CD1 4.4Å; F28-L67 HydrophobicContact CE2-CG 4.07Å; F28-L67 HydrophobicContact CZ-CD1 3.43Å; F28-L67 VanDerWaalsContact CZ-CD1 3.43Å; F28-L67 HydrophobicContact CZ-CD2 4.28Å; F28-L67 HydrophobicContact CZ-CG 3.41Å; F28-L67 VanDerWaalsContact CZ-CG 3.41Å; F34-L67 HydrophobicContact CD2-CD2 3.78Å; F34-L67 HydrophobicContact CE2-CD2 3.56Å; F34-L67 HydrophobicContact CZ-CD2 4.21Å; W38-L67 HydrophobicContact CD2-CD1 4.05Å; W38-L67 HydrophobicContact CE3-CD1 4.16Å; W38-L67 HydrophobicContact CH2-CD1 4.16Å; W38-L67 HydrophobicContact CZ2-CD1 4.1Å; W38-L67 HydrophobicContact CZ3-CD1 4.2Å; F50-L67 HydrophobicContact CB-CD2 4.2Å; F50-L67 HydrophobicContact CD1-CB 3.88Å; F50-L67 HydrophobicContact CG-CB 4.46Å; L67-L78 HydrophobicContact CD1-CD2 3.62Å; L67-L78 HydrophobicContact CD2-CD2 4.24Å; L67-L317 HydrophobicContact CD1-CD1 3.98Å; L67-I327 WeakPolarHBondContact O-CA 3.47Å; L67-F328 PolarHBondContact N-O 2.79Å; L67-F328 PolarHBondContact O-N 2.82Å |
| 68 | Q | 98.1 | Very high | 96.6 | Very high | 24 Ų | 24 | 46.1 Ų | 46.1 | 11% | 0.112 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 132 | 177.2 | -165.7 | 168.6 | 29.5 | 0 | 0 | 111.7 | F50 V51 S53 G66 E101 G325 T326 I327 | F50-Q68 CarbonylContact C-O 3.59Å; F50-Q68 WeakPolarHBondContact CA-O 3.46Å; V51-Q68 PolarHBondContact N-O 3.48Å; V51-Q68 WeakPolarHBondContact O-CA 3.32Å; V51-Q68 WeakPolarHBondContact O-CB 3.46Å; V51-Q68 PolarHBondContact O-N 3.26Å; S53-Q68 PolarHBondContact OG-OE1 3.26Å; G66-Q68 PolarHBondContact O-N 3.49Å; Q68-E101 PolarHBondContact NE2-OE1 3.39Å; Q68-G325 PolarHBondContact NE2-O 3.35Å; Q68-T326 CarbonylContact C-O 3.58Å; Q68-T326 VanDerWaalsContact CA-O 3.27Å; Q68-T326 WeakPolarHBondContact CA-O 3.42Å; Q68-I327 HydrophobicContact CB-CG1 3.87Å; Q68-I327 HydrophobicContact CG-CD1 4.41Å; Q68-I327 HydrophobicContact CG-CG1 3.64Å |
| 69 | T | 98.1 | Very high | 96.7 | Very high | 1 Ų | 1 | 42.8 Ų | 42.8 | 1% | 0.006 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 129.4 | 166.7 | 55.9 | 0 | 0 | 0 | 0 | 109.9 | F50 Y76 L319 Q321 S324 G325 T326 | F50-T69 HydrophobicContact CD1-CG2 4.21Å; F50-T69 HydrophobicContact CE1-CG2 3.62Å; F50-T69 HydrophobicContact CZ-CG2 4.24Å; T69-Y76 VanDerWaalsContact CB-CZ 3.47Å; T69-Y76 HydrophobicContact CG2-CD1 3.88Å; T69-Y76 HydrophobicContact CG2-CD2 3.99Å; T69-Y76 HydrophobicContact CG2-CE1 3.74Å; T69-Y76 HydrophobicContact CG2-CE2 3.9Å; T69-Y76 HydrophobicContact CG2-CG 4Å; T69-L319 HydrophobicContact CG2-CD1 4.21Å; T69-Q321 PolarHBondContact OG1-OE1 2.61Å; T69-S324 WeakPolarHBondContact O-CB 3.5Å; T69-G325 WeakPolarHBondContact O-CA 3.31Å; T69-G325 PolarHBondContact O-N 3.05Å; T69-G325 PolarHBondContact OG1-N 2.81Å; T69-T326 PolarHBondContact N-O 2.68Å; T69-T326 PolarHBondContact OG1-N 3.15Å; T69-T326 VanDerWaalsContact OG1-N 3.08Å |
| 70 | S | 97.1 | Very high | 96.8 | Very high | 56 Ų | 56 | 41.6 Ų | 41.6 | 39% | 0.392 | 22% | 0.215 | S | C | . | . | trans | -112.6 | -9.1 | -169.6 | 65.8 | 0 | 0 | 0 | 0 | 116.2 | K49 Y76 | K49-S70 WeakPolarHBondContact O-CB 3.41Å; K49-S70 PolarHBondContact O-N 3.34Å; K49-S70 PolarHBondContact O-OG 3.26Å; S70-Y76 PolarHBondContact N-OH 2.83Å | ||
| 71 | Q | 97.7 | Very high | 97 | Very high | 62 Ų | 62 | 44 Ų | 44 | 29% | 0.29 | 22% | 0.22 | S | C | . | . | S | Bend | trans | -131 | 125.9 | -173.8 | -60 | 179.6 | -80.5 | 0 | 0 | 111.8 | R74 Y76 S324 | Q71-R74 HydrophobicContact CB-CG 3.91Å; Q71-Y76 WeakPolarHBondContact CA-OH 3.36Å; Q71-Y76 PolarHBondContact N-OH 3.28Å; Q71-Y76 PolarHBondContact O-OH 2.92Å; Q71-S324 VanDerWaalsContact C-CB 3.41Å; Q71-S324 VanDerWaalsContact C-OG 3.28Å; Q71-S324 PolarHBondContact N-OG 2.89Å; Q71-S324 WeakPolarHBondContact O-CB 3.37Å |
| 72 | D | 97.3 | Very high | 97.2 | Very high | 98 Ų | 98 | 43.2 Ų | 43.2 | 52% | 0.524 | 21% | 0.209 | S | C | . | . | S | Bend | trans | -68.4 | 152.1 | 178 | -67.5 | -9.2 | 0 | 0 | 0 | 112.1 | R74 V322 S324 | D72-R74 VanDerWaalsContact C-N 3.33Å; D72-R74 PolarHBondContact O-N 3.02Å; D72-V322 CarbonylContact C-O 3.59Å; D72-V322 VanDerWaalsContact CA-O 3.3Å; D72-V322 WeakPolarHBondContact CA-O 3.24Å; D72-V322 VanDerWaalsContact CB-O 3.28Å; D72-V322 WeakPolarHBondContact CB-O 3.46Å; D72-S324 PolarHBondContact N-OG 2.93Å; D72-S324 VanDerWaalsContact OD1-CB 3.32Å; D72-S324 WeakPolarHBondContact OD1-CB 3.24Å; D72-S324 PolarHBondContact OD1-N 3.41Å; D72-S324 PolarHBondContact OD1-OG 3.42Å |
| 73 | A | 96.1 | Very high | 97.3 | Very high | 53 Ų | 53 | 44.3 Ų | 44.3 | 44% | 0.438 | 22% | 0.219 | S | C | . | . | S | Bend | trans | 51 | 48.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113 | W320 Q321 V322 | A73-W320 VanDerWaalsContact C-CZ3 3.4Å; A73-W320 HydrophobicContact CB-CH2 3.95Å; A73-W320 HydrophobicContact CB-CZ2 4.3Å; A73-W320 VanDerWaalsContact O-CH2 3.25Å; A73-W320 WeakPolarHBondContact O-CH2 3.23Å; A73-W320 WeakPolarHBondContact O-CZ3 3.28Å; A73-Q321 VanDerWaalsContact CA-O 3.26Å; A73-Q321 WeakPolarHBondContact CA-O 3.15Å; A73-Q321 PolarHBondContact N-O 3.28Å; A73-Q321 VanDerWaalsContact N-O 3.11Å; A73-V322 PolarHBondContact N-O 3.38Å |
| 74 | R | 97.3 | Very high | 97.5 | Very high | 77 Ų | 77 | 43 Ų | 43 | 29% | 0.291 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 148.5 | 178.3 | -70.2 | -58.1 | -172.9 | 89.7 | 1.9 | 112.1 | D46 Y47 Q71 D72 Y76 W320 Q321 | D46-R74 WeakPolarHBondContact O-CD 3.34Å; D46-R74 PolarHBondContact O-NH1 2.69Å; Y47-R74 PolarHBondContact O-NH1 2.99Å; Q71-R74 HydrophobicContact CB-CG 3.91Å; D72-R74 VanDerWaalsContact C-N 3.33Å; D72-R74 PolarHBondContact O-N 3.02Å; R74-Y76 HydrophobicContact CB-CD2 4.46Å; R74-Y76 HydrophobicContact CB-CE2 3.88Å; R74-Y76 WeakPolarHBondContact O-CD2 3.28Å; R74-W320 VanDerWaalsContact C-CZ3 3.47Å; R74-Q321 PolarHBondContact N-O 2.58Å; R74-Q321 PolarHBondContact O-N 3.05Å; R74-Q321 VanDerWaalsContact O-N 3.13Å |
| 75 | F | 97.4 | Very high | 97.6 | Very high | 86 Ų | 86 | 43.2 Ų | 43.2 | 38% | 0.377 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 146 | 158.1 | -71.2 | -83.3 | 0 | 0 | 0 | 108.6 | Y47 G48 L319 W320 | Y47-F75 CarbonylContact C-O 3.48Å; Y47-F75 WeakPolarHBondContact CA-O 3.3Å; Y47-F75 HydrophobicContact CD1-CB 3.85Å; Y47-F75 WeakPolarHBondContact CD1-O 3.42Å; Y47-F75 HydrophobicContact CE1-CB 3.84Å; G48-F75 PolarHBondContact N-O 3.42Å; F75-L319 CarbonylContact C-O 3.59Å; F75-L319 WeakPolarHBondContact CA-O 3.23Å; F75-W320 HydrophobicContact CD1-CB 3.9Å; F75-W320 AromaticContact CD1-CE3 3.99Å; F75-W320 HydrophobicContact CD1-CE3 3.99Å; F75-W320 AromaticContact CD2-CE3 3.48Å; F75-W320 HydrophobicContact CD2-CE3 3.48Å; F75-W320 VanDerWaalsContact CD2-CE3 3.48Å; F75-W320 AromaticContact CD2-CZ3 3.74Å; F75-W320 HydrophobicContact CD2-CZ3 3.74Å; F75-W320 HydrophobicContact CE1-CB 3.72Å; F75-W320 HydrophobicContact CE1-CD2 4.33Å; F75-W320 AromaticContact CE1-CE3 3.98Å; F75-W320 HydrophobicContact CE1-CE3 3.98Å; F75-W320 HydrophobicContact CE1-CG 4.27Å; F75-W320 HydrophobicContact CE2-CD2 4.33Å; F75-W320 AromaticContact CE2-CE3 3.46Å; F75-W320 HydrophobicContact CE2-CE3 3.46Å; F75-W320 VanDerWaalsContact CE2-CE3 3.46Å; F75-W320 AromaticContact CE2-CZ3 3.73Å; F75-W320 HydrophobicContact CE2-CZ3 3.73Å; F75-W320 AromaticContact CG-CE3 3.74Å; F75-W320 HydrophobicContact CG-CE3 3.74Å; F75-W320 HydrophobicContact CG-CZ3 4.39Å; F75-W320 HydrophobicContact CZ-CB 4.39Å; F75-W320 HydrophobicContact CZ-CD2 4.18Å; F75-W320 AromaticContact CZ-CE3 3.71Å; F75-W320 HydrophobicContact CZ-CE3 3.71Å; F75-W320 HydrophobicContact CZ-CG 4.47Å; F75-W320 HydrophobicContact CZ-CZ3 4.38Å |
| 76 | Y | 98.1 | Very high | 97.6 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 140.2 | 175.7 | -72.5 | -94.5 | 0 | 0 | 0 | 108.2 | G48 K49 F50 T69 S70 Q71 R74 D318 L319 | G48-Y76 WeakPolarHBondContact O-CD1 3.43Å; K49-Y76 WeakPolarHBondContact O-CE1 3.46Å; F50-Y76 HydrophobicContact CD1-CD1 4.44Å; F50-Y76 AromaticContact CD2-CD1 3.93Å; F50-Y76 HydrophobicContact CD2-CD1 3.93Å; F50-Y76 HydrophobicContact CE1-CD1 4.14Å; F50-Y76 AromaticContact CE2-CD1 3.6Å; F50-Y76 HydrophobicContact CE2-CD1 3.6Å; F50-Y76 HydrophobicContact CE2-CG 4.08Å; F50-Y76 HydrophobicContact CG-CD1 4.36Å; F50-Y76 AromaticContact CZ-CD1 3.72Å; F50-Y76 HydrophobicContact CZ-CD1 3.72Å; F50-Y76 AromaticContact CZ-CG 3.97Å; F50-Y76 HydrophobicContact CZ-CG 3.97Å; T69-Y76 VanDerWaalsContact CB-CZ 3.47Å; T69-Y76 HydrophobicContact CG2-CD1 3.88Å; T69-Y76 HydrophobicContact CG2-CD2 3.99Å; T69-Y76 HydrophobicContact CG2-CE1 3.74Å; T69-Y76 HydrophobicContact CG2-CE2 3.9Å; T69-Y76 HydrophobicContact CG2-CG 4Å; S70-Y76 PolarHBondContact N-OH 2.83Å; Q71-Y76 WeakPolarHBondContact CA-OH 3.36Å; Q71-Y76 PolarHBondContact N-OH 3.28Å; Q71-Y76 PolarHBondContact O-OH 2.92Å; R74-Y76 HydrophobicContact CB-CD2 4.46Å; R74-Y76 HydrophobicContact CB-CE2 3.88Å; R74-Y76 WeakPolarHBondContact O-CD2 3.28Å; Y76-D318 CarbonylContact O-C 3.57Å; Y76-D318 VanDerWaalsContact O-CA 3.24Å; Y76-D318 WeakPolarHBondContact O-CA 3.31Å; Y76-L319 HydrophobicContact CD2-CD1 4.01Å; Y76-L319 HydrophobicContact CG-CD1 4.18Å; Y76-L319 PolarHBondContact N-O 3.42Å; Y76-L319 PolarHBondContact O-N 2.88Å |
| 77 | A | 97.9 | Very high | 97.5 | Very high | 3 Ų | 3 | 42.8 Ų | 42.8 | 3% | 0.025 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 94.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | S41 Y47 M123 L317 | S41-A77 PolarHBondContact N-O 3.24Å; Y47-A77 HydrophobicContact CD1-CB 3.84Å; Y47-A77 HydrophobicContact CD2-CB 4.17Å; Y47-A77 HydrophobicContact CE1-CB 3.55Å; Y47-A77 HydrophobicContact CE2-CB 3.89Å; Y47-A77 HydrophobicContact CG-CB 4.16Å; A77-M123 HydrophobicContact CB-CE 3.88Å; A77-L317 CarbonylContact C-O 3.29Å; A77-L317 WeakPolarHBondContact CA-O 3.32Å |
| 78 | L | 98.1 | Very high | 97.5 | Very high | 5 Ų | 5 | 48.6 Ų | 48.6 | 3% | 0.026 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 138.4 | 179.3 | -169 | 80.4 | 0 | 0 | 0 | 109.7 | W38 M39 E40 F50 L67 G316 L317 | W38-L78 HydrophobicContact CB-CD1 4.13Å; W38-L78 HydrophobicContact CB-CD2 3.91Å; W38-L78 HydrophobicContact CB-CG 4Å; W38-L78 HydrophobicContact CD2-CD2 3.95Å; W38-L78 HydrophobicContact CD2-CG 4.4Å; W38-L78 HydrophobicContact CE3-CB 4.49Å; W38-L78 HydrophobicContact CE3-CD2 3.54Å; W38-L78 HydrophobicContact CE3-CG 3.74Å; W38-L78 HydrophobicContact CG-CD2 4.14Å; W38-L78 HydrophobicContact CZ3-CD2 4.31Å; M39-L78 WeakPolarHBondContact O-CA 3.32Å; E40-L78 HydrophobicContact CB-CD1 4.27Å; E40-L78 HydrophobicContact CG-CD1 3.45Å; E40-L78 VanDerWaalsContact CG-CD1 3.45Å; F50-L78 HydrophobicContact CB-CD2 4.39Å; F50-L78 HydrophobicContact CD2-CB 3.68Å; F50-L78 HydrophobicContact CD2-CD2 3.83Å; F50-L78 HydrophobicContact CD2-CG 4.22Å; F50-L78 HydrophobicContact CE2-CB 3.53Å; F50-L78 HydrophobicContact CE2-CD2 4.32Å; F50-L78 HydrophobicContact CG-CD2 4.17Å; L67-L78 HydrophobicContact CD1-CD2 3.62Å; L67-L78 HydrophobicContact CD2-CD2 4.24Å; L78-G316 CarbonylContact O-C 3.55Å; L78-G316 WeakPolarHBondContact O-CA 3.35Å; L78-L317 PolarHBondContact N-O 3.43Å; L78-L317 PolarHBondContact O-N 2.81Å |
| 79 | S | 98.2 | Very high | 97.3 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 148 | -177.9 | 59.9 | 0 | 0 | 0 | 0 | 113.3 | W38 M39 Q120 I315 | W38-S79 CarbonylContact C-O 3.53Å; W38-S79 WeakPolarHBondContact CA-O 3.39Å; M39-S79 PolarHBondContact N-O 3.12Å; M39-S79 PolarHBondContact O-N 2.96Å; M39-S79 PolarHBondContact O-OG 2.84Å; S79-Q120 PolarHBondContact O-NE2 3.35Å; S79-Q120 VanDerWaalsContact O-NE2 3.11Å; S79-Q120 WeakPolarHBondContact OG-CB 3.44Å; S79-Q120 VanDerWaalsContact OG-CG 3.27Å; S79-Q120 WeakPolarHBondContact OG-CG 3.44Å; S79-Q120 PolarHBondContact OG-NE2 3.14Å; S79-I315 CarbonylContact C-O 3.42Å; S79-I315 WeakPolarHBondContact CA-O 3.27Å; S79-I315 WeakPolarHBondContact CB-O 3.4Å |
| 80 | A | 98.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 139.8 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | F24 W38 V314 I315 | F24-A80 HydrophobicContact CE2-CB 4.06Å; F24-A80 HydrophobicContact CZ-CB 3.95Å; W38-A80 HydrophobicContact CD2-CB 3.67Å; W38-A80 HydrophobicContact CE3-CB 3.86Å; W38-A80 HydrophobicContact CG-CB 4.13Å; W38-A80 HydrophobicContact CH2-CB 4.35Å; W38-A80 HydrophobicContact CZ2-CB 4.13Å; W38-A80 HydrophobicContact CZ3-CB 4.21Å; A80-V314 WeakPolarHBondContact O-CA 3.46Å; A80-I315 HydrophobicContact CB-CG2 3.89Å; A80-I315 PolarHBondContact N-O 2.8Å; A80-I315 PolarHBondContact O-N 3.3Å |
| 81 | R | 97.8 | Very high | 97.2 | Very high | 108 Ų | 108 | 51.8 Ų | 51.8 | 41% | 0.408 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 143.3 | 177.7 | -179.2 | 178.4 | -61.4 | -84.9 | 0.8 | 110.4 | S116 L118 G313 V314 | R81-S116 PolarHBondContact NH1-O 3.06Å; R81-L118 PolarHBondContact NH2-O 2.91Å; R81-G313 WeakPolarHBondContact CA-O 3.41Å; R81-V314 HydrophobicContact CB-CG2 4.22Å; R81-V314 HydrophobicContact CG-CG2 4.2Å |
| 82 | F | 97.2 | Very high | 97.2 | Very high | 23 Ų | 23 | 48.8 Ų | 48.8 | 10% | 0.101 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | -178.8 | 175.9 | 52.9 | -94.7 | 0 | 0 | 0 | 110.3 | F24 D84 F85 I312 G313 I315 I333 | F24-F82 HydrophobicContact CB-CB 4.41Å; F24-F82 HydrophobicContact CB-CD1 3.86Å; F24-F82 HydrophobicContact CB-CD2 4.42Å; F24-F82 HydrophobicContact CB-CE1 4.22Å; F24-F82 HydrophobicContact CB-CG 3.97Å; F24-F82 HydrophobicContact CD2-CB 3.85Å; F24-F82 AromaticContact CD2-CD1 3.58Å; F24-F82 HydrophobicContact CD2-CD1 3.58Å; F24-F82 HydrophobicContact CD2-CE1 4.46Å; F24-F82 AromaticContact CD2-CG 3.96Å; F24-F82 HydrophobicContact CD2-CG 3.96Å; F24-F82 HydrophobicContact CE2-CD1 4.27Å; F24-F82 AromaticContact CG-CD1 3.79Å; F24-F82 HydrophobicContact CG-CD1 3.79Å; F24-F82 HydrophobicContact CG-CE1 4.28Å; F24-F82 HydrophobicContact CG-CG 4.26Å; F82-D84 PolarHBondContact O-N 2.95Å; F82-F85 HydrophobicContact CD2-CE1 4.49Å; F82-F85 AromaticContact CE2-CD1 3.97Å; F82-F85 HydrophobicContact CE2-CD1 3.97Å; F82-F85 AromaticContact CE2-CE1 3.67Å; F82-F85 HydrophobicContact CE2-CE1 3.67Å; F82-F85 HydrophobicContact CZ-CE1 4.44Å; F82-I312 HydrophobicContact CE2-CG2 4.23Å; F82-I312 HydrophobicContact CZ-CG2 4.01Å; F82-G313 VanDerWaalsContact CE2-CA 3.43Å; F82-G313 PolarHBondContact N-O 3.11Å; F82-I315 HydrophobicContact CD1-CG2 4.4Å; F82-I315 HydrophobicContact CE1-CB 4.07Å; F82-I315 HydrophobicContact CE1-CG2 4.1Å; F82-I333 HydrophobicContact CE1-CD1 3.78Å; F82-I333 HydrophobicContact CZ-CD1 3.65Å |
| 83 | D | 97.1 | Very high | 97.3 | Very high | 141 Ų | 141 | 44.2 Ų | 44.2 | 75% | 0.754 | 23% | 0.234 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -63.7 | 129.5 | -178 | -70.1 | -27.5 | 0 | 0 | 0 | 111.1 | F85 | D83-F85 PolarHBondContact O-N 2.95Å |
| 84 | D | 97.4 | Very high | 97.4 | Very high | 94 Ų | 94 | 41.7 Ų | 41.7 | 50% | 0.503 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.7 | 130.5 | -179.5 | -171.9 | 37.1 | 0 | 0 | 0 | 111.4 | F82 S116 S311 I312 | F82-D84 PolarHBondContact O-N 2.95Å; D84-S116 WeakPolarHBondContact CB-OG 3.39Å; D84-S116 WeakPolarHBondContact OD1-CB 3.39Å; D84-S116 PolarHBondContact OD1-OG 3.25Å; D84-S311 WeakPolarHBondContact OD1-CA 3.39Å; D84-S311 WeakPolarHBondContact OD1-CB 3.49Å; D84-S311 PolarHBondContact OD1-OG 3Å; D84-S311 PolarHBondContact OD2-OG 2.95Å; D84-I312 PolarHBondContact OD1-N 3.38Å |
| 85 | F | 97.3 | Very high | 97.5 | Very high | 23 Ų | 23 | 38.1 Ų | 38.1 | 10% | 0.101 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 164.3 | 175.4 | 79.6 | -82.3 | 0 | 0 | 0 | 112.5 | Y23 F82 D83 L92 S311 I312 I333 | Y23-F85 HydrophobicContact CD1-CB 4.09Å; Y23-F85 AromaticContact CD1-CD1 3.85Å; Y23-F85 HydrophobicContact CD1-CD1 3.85Å; Y23-F85 AromaticContact CD1-CD2 3.89Å; Y23-F85 HydrophobicContact CD1-CD2 3.89Å; Y23-F85 HydrophobicContact CD1-CE1 4.22Å; Y23-F85 HydrophobicContact CD1-CE2 4.27Å; Y23-F85 AromaticContact CD1-CG 3.67Å; Y23-F85 HydrophobicContact CD1-CG 3.67Å; Y23-F85 HydrophobicContact CD1-CZ 4.43Å; Y23-F85 HydrophobicContact CD2-CD1 4.34Å; Y23-F85 HydrophobicContact CD2-CD2 4.04Å; Y23-F85 AromaticContact CD2-CE1 3.89Å; Y23-F85 HydrophobicContact CD2-CE1 3.89Å; Y23-F85 AromaticContact CD2-CE2 3.58Å; Y23-F85 HydrophobicContact CD2-CE2 3.58Å; Y23-F85 HydrophobicContact CD2-CG 4.41Å; Y23-F85 AromaticContact CD2-CZ 3.5Å; Y23-F85 HydrophobicContact CD2-CZ 3.5Å; Y23-F85 HydrophobicContact CE1-CB 4.16Å; Y23-F85 HydrophobicContact CE1-CD1 4.5Å; Y23-F85 AromaticContact CE1-CD2 3.72Å; Y23-F85 HydrophobicContact CE1-CD2 3.72Å; Y23-F85 HydrophobicContact CE1-CE2 4.23Å; Y23-F85 AromaticContact CE1-CG 3.88Å; Y23-F85 HydrophobicContact CE1-CG 3.88Å; Y23-F85 AromaticContact CE2-CD2 3.86Å; Y23-F85 HydrophobicContact CE2-CD2 3.86Å; Y23-F85 AromaticContact CE2-CE2 3.51Å; Y23-F85 HydrophobicContact CE2-CE2 3.51Å; Y23-F85 AromaticContact CE2-CZ 3.94Å; Y23-F85 HydrophobicContact CE2-CZ 3.94Å; Y23-F85 AromaticContact CG-CD1 3.76Å; Y23-F85 HydrophobicContact CG-CD1 3.76Å; Y23-F85 HydrophobicContact CG-CD2 4.04Å; Y23-F85 AromaticContact CG-CE1 3.65Å; Y23-F85 HydrophobicContact CG-CE1 3.65Å; Y23-F85 AromaticContact CG-CE2 3.96Å; Y23-F85 HydrophobicContact CG-CE2 3.96Å; Y23-F85 AromaticContact CG-CG 3.95Å; Y23-F85 HydrophobicContact CG-CG 3.95Å; Y23-F85 AromaticContact CG-CZ 3.77Å; Y23-F85 HydrophobicContact CG-CZ 3.77Å; Y23-F85 AromaticContact CZ-CD2 3.7Å; Y23-F85 AromaticContact CZ-CE2 3.85Å; F82-F85 HydrophobicContact CD2-CE1 4.49Å; F82-F85 AromaticContact CE2-CD1 3.97Å; F82-F85 HydrophobicContact CE2-CD1 3.97Å; F82-F85 AromaticContact CE2-CE1 3.67Å; F82-F85 HydrophobicContact CE2-CE1 3.67Å; F82-F85 HydrophobicContact CZ-CE1 4.44Å; D83-F85 PolarHBondContact O-N 2.95Å; F85-L92 HydrophobicContact CE2-CD1 4Å; F85-L92 HydrophobicContact CZ-CD1 3.76Å; F85-S311 CarbonylContact O-C 3.43Å; F85-I312 HydrophobicContact CD1-CB 4.26Å; F85-I312 WeakPolarHBondContact CD1-O 3.16Å; F85-I312 HydrophobicContact CE1-CB 3.92Å; F85-I312 HydrophobicContact CE1-CG2 3.85Å; F85-I312 HydrophobicContact CE2-CD1 4.21Å; F85-I312 HydrophobicContact CZ-CB 4.15Å; F85-I312 HydrophobicContact CZ-CD1 4.07Å; F85-I312 HydrophobicContact CZ-CG2 4.12Å; F85-I312 PolarHBondContact N-O 2.66Å; F85-I312 PolarHBondContact O-N 2.76Å; F85-I333 HydrophobicContact CE1-CG2 4.12Å; F85-I333 HydrophobicContact CZ-CG2 3.76Å |
| 86 | S | 97.2 | Very high | 97.6 | Very high | 44 Ų | 44 | 34 Ų | 34 | 31% | 0.308 | 18% | 0.182 | S | C | . | . | trans | -117.9 | 140.9 | 171.3 | 175.9 | 0 | 0 | 0 | 0 | 109.3 | K88 Y309 | S86-K88 PolarHBondContact O-N 2.75Å; S86-K88 WeakPolarHBondContact OG-CB 3.31Å; S86-K88 PolarHBondContact OG-N 2.74Å; S86-Y309 WeakPolarHBondContact CB-O 3.2Å; S86-Y309 PolarHBondContact OG-O 3.08Å | ||
| 87 | N | 96.4 | Very high | 97.6 | Very high | 1 Ų | 1 | 34.1 Ų | 34.1 | 1% | 0.005 | 18% | 0.182 | C | C | . | . | trans | -84 | 12.9 | 172.8 | 69.9 | -32.3 | 0 | 0 | 0 | 112.9 | G89 Q90 L92 Y307 K308 Y309 | N87-G89 PolarHBondContact O-N 3.22Å; N87-G89 VanDerWaalsContact O-N 3.09Å; N87-Q90 PolarHBondContact O-N 3.18Å; N87-Q90 VanDerWaalsContact O-N 3.08Å; N87-L92 HydrophobicContact CB-CB 3.93Å; N87-Y307 PolarHBondContact ND2-O 2.94Å; N87-Y307 WeakPolarHBondContact O-CE2 3.45Å; N87-K308 WeakPolarHBondContact OD1-CA 3.45Å; N87-Y309 PolarHBondContact OD1-N 2.06Å; N87-Y309 PolarHBondContact OD1-O 2.88Å | ||
| 88 | K | 96.5 | Very high | 97.6 | Very high | 121 Ų | 121 | 34.1 Ų | 34.1 | 53% | 0.526 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | 118.8 | 179.7 | -172.9 | -179.9 | -167.1 | 167.9 | 0 | 111.4 | S86 Q90 E305 K308 | S86-K88 PolarHBondContact O-N 2.75Å; S86-K88 WeakPolarHBondContact OG-CB 3.31Å; S86-K88 PolarHBondContact OG-N 2.74Å; K88-Q90 PolarHBondContact O-N 3.5Å; K88-E305 WeakPolarHBondContact CE-OE1 3.24Å; K88-E305 IonicContact NZ-OE1 3.46Å; K88-K308 HydrophobicContact CB-CD 4.2Å; K88-K308 HydrophobicContact CB-CG 4.03Å; K88-K308 HydrophobicContact CD-CD 4.18Å; K88-K308 HydrophobicContact CG-CD 3.95Å; K88-K308 HydrophobicContact CG-CG 4.27Å |
| 89 | G | 95.6 | Very high | 97.6 | Very high | 52 Ų | 52 | 34.1 Ų | 34.1 | 54% | 0.536 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 73.4 | 9.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | N87 Y307 | N87-G89 PolarHBondContact O-N 3.22Å; N87-G89 VanDerWaalsContact O-N 3.09Å; G89-Y307 PolarHBondContact N-OH 3.13Å |
| 90 | Q | 95.6 | Very high | 97.5 | Very high | 65 Ų | 65 | 34.5 Ų | 34.5 | 30% | 0.304 | 18% | 0.183 | S | C | . | . | S | Bend | trans | -135.6 | 149.7 | 177.9 | -60.2 | -173.2 | -3.3 | 0 | 0 | 110.8 | Y23 N87 K88 P179 N335 | Y23-Q90 PolarHBondContact OH-OE1 3.27Å; Y23-Q90 VanDerWaalsContact OH-OE1 3.1Å; N87-Q90 PolarHBondContact O-N 3.18Å; N87-Q90 VanDerWaalsContact O-N 3.08Å; K88-Q90 PolarHBondContact O-N 3.5Å; Q90-P179 VanDerWaalsContact C-CG 3.42Å; Q90-N335 HydrophobicContact CB-CB 4.46Å; Q90-N335 PolarHBondContact OE1-ND2 3.1Å |
| 91 | P | 97.1 | Very high | 97.3 | Very high | 31 Ų | 31 | 35.6 Ų | 35.6 | 20% | 0.201 | 19% | 0.188 | C | C | . | . | trans | -61 | 147.9 | 171.6 | -18.9 | 31.6 | 0 | 0 | 0 | 111.1 | V177 N335 | P91-V177 CarbonylContact C-O 3.53Å; P91-V177 VanDerWaalsContact CA-O 3.28Å; P91-V177 WeakPolarHBondContact CA-O 3.48Å; P91-N335 WeakPolarHBondContact CB-O 3.45Å; P91-N335 WeakPolarHBondContact O-CA 3.45Å; P91-N335 VanDerWaalsContact O-CB 3.29Å; P91-N335 WeakPolarHBondContact O-CB 3.06Å | ||
| 92 | L | 98.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 123.1 | 168 | 175.1 | 62.5 | 0 | 0 | 0 | 108 | F85 N87 I94 I131 I176 V177 I312 I333 | F85-L92 HydrophobicContact CE2-CD1 4Å; F85-L92 HydrophobicContact CZ-CD1 3.76Å; N87-L92 HydrophobicContact CB-CB 3.93Å; L92-I94 HydrophobicContact CD1-CG1 4.29Å; L92-I94 HydrophobicContact CD2-CD1 4.05Å; L92-I94 HydrophobicContact CD2-CG1 4.43Å; L92-I94 HydrophobicContact CG-CD1 4.19Å; L92-I94 HydrophobicContact CG-CG1 4.05Å; L92-I131 HydrophobicContact CD2-CD1 3.61Å; L92-I176 CarbonylContact O-C 3.6Å; L92-I176 WeakPolarHBondContact O-CA 3.35Å; L92-V177 HydrophobicContact CB-CB 4.45Å; L92-V177 PolarHBondContact N-O 2.84Å; L92-V177 PolarHBondContact O-N 3.27Å; L92-I312 HydrophobicContact CD1-CD1 4.34Å; L92-I312 HydrophobicContact CD2-CD1 3.81Å; L92-I333 HydrophobicContact CD1-CG2 3.85Å |
| 93 | V | 98.5 | Very high | 96.9 | Very high | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.006 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 125.9 | 177.8 | -170.5 | 0 | 0 | 0 | 0 | 108.9 | T174 L175 I176 I333 A334 P337 A340 | V93-T174 HydrophobicContact CG1-CG2 3.91Å; V93-L175 WeakPolarHBondContact CA-O 3.11Å; V93-I176 HydrophobicContact CG1-CG1 4.05Å; V93-I176 HydrophobicContact CG2-CG1 4.27Å; V93-I176 HydrophobicContact CG2-CG2 4.39Å; V93-I333 CarbonylContact O-C 3.5Å; V93-I333 VanDerWaalsContact O-CA 3.31Å; V93-I333 WeakPolarHBondContact O-CA 3.49Å; V93-A334 PolarHBondContact N-O 3.15Å; V93-A334 PolarHBondContact O-N 2.73Å; V93-P337 HydrophobicContact CG2-CB 4.47Å; V93-P337 HydrophobicContact CG2-CG 3.95Å; V93-A340 HydrophobicContact CB-CB 4.49Å; V93-A340 HydrophobicContact CG1-CB 3.43Å; V93-A340 VanDerWaalsContact CG1-CB 3.43Å |
| 94 | I | 98.6 | Very high | 96.6 | Very high | 1 Ų | 1 | 28.1 Ų | 28.1 | 1% | 0.005 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 121.1 | -178.1 | -54.4 | 164.8 | 0 | 0 | 0 | 107 | L92 I111 L113 I131 F133 T174 L175 | L92-I94 HydrophobicContact CD1-CG1 4.29Å; L92-I94 HydrophobicContact CD2-CD1 4.05Å; L92-I94 HydrophobicContact CD2-CG1 4.43Å; L92-I94 HydrophobicContact CG-CD1 4.19Å; L92-I94 HydrophobicContact CG-CG1 4.05Å; I94-I111 HydrophobicContact CG2-CD1 3.46Å; I94-I111 VanDerWaalsContact CG2-CD1 3.46Å; I94-L113 HydrophobicContact CD1-CD1 3.34Å; I94-L113 HydrophobicContact CD1-CG 4.27Å; I94-L113 HydrophobicContact CG1-CD1 3.8Å; I94-I131 HydrophobicContact CD1-CD1 4.09Å; I94-I131 HydrophobicContact CD1-CG2 4.4Å; I94-F133 HydrophobicContact CG2-CD1 4.39Å; I94-T174 CarbonylContact O-C 3.59Å; I94-T174 VanDerWaalsContact O-CA 3.31Å; I94-T174 WeakPolarHBondContact O-CA 3.49Å; I94-L175 HydrophobicContact CB-CB 4.48Å; I94-L175 HydrophobicContact CD1-CD2 4.24Å; I94-L175 PolarHBondContact N-O 2.84Å; I94-L175 PolarHBondContact O-N 2.93Å |
| 95 | Q | 98.7 | Very high | 96.4 | Very high | 2 Ų | 2 | 27.6 Ų | 27.6 | 1% | 0.009 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 140.7 | -175.2 | -179.2 | 170.4 | -72 | 0 | 0 | 110.8 | L172 Y173 T174 F331 L332 A340 | Q95-L172 HydrophobicContact CG-CD1 3.53Å; Q95-L172 HydrophobicContact CG-CG 4.17Å; Q95-Y173 VanDerWaalsContact CA-O 3.28Å; Q95-Y173 WeakPolarHBondContact CA-O 3.5Å; Q95-T174 HydrophobicContact CB-CG2 4.12Å; Q95-T174 HydrophobicContact CG-CG2 4.42Å; Q95-T174 WeakPolarHBondContact CG-OG1 3.41Å; Q95-T174 PolarHBondContact OE1-OG1 3.44Å; Q95-F331 CarbonylContact O-C 3.56Å; Q95-F331 WeakPolarHBondContact O-CA 3.31Å; Q95-L332 HydrophobicContact CB-CB 4.23Å; Q95-L332 PolarHBondContact N-O 3.29Å; Q95-L332 PolarHBondContact O-N 3.49Å; Q95-A340 PolarHBondContact NE2-O 3.18Å; Q95-A340 PolarHBondContact OE1-O 3.28Å |
| 96 | F | 98.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.5 | 162.4 | 174 | 65.7 | -71.8 | 0 | 0 | 0 | 110 | V98 G109 I111 F133 Y173 F328 F331 | F96-V98 HydrophobicContact CD2-CG2 3.5Å; F96-V98 HydrophobicContact CE2-CG2 3.15Å; F96-V98 HydrophobicContact CZ-CG2 4.16Å; F96-G109 WeakPolarHBondContact CE2-O 3.28Å; F96-I111 HydrophobicContact CD1-CD1 3.77Å; F96-I111 HydrophobicContact CD1-CG1 4.15Å; F96-I111 HydrophobicContact CD1-CG2 4.47Å; F96-I111 HydrophobicContact CD2-CG2 4.16Å; F96-I111 HydrophobicContact CE1-CD1 3.89Å; F96-I111 HydrophobicContact CE1-CG1 3.77Å; F96-I111 HydrophobicContact CE1-CG2 4.38Å; F96-I111 HydrophobicContact CE2-CG2 4Å; F96-I111 HydrophobicContact CG-CD1 4.46Å; F96-I111 HydrophobicContact CG-CG2 4.38Å; F96-I111 HydrophobicContact CZ-CG1 4.11Å; F96-I111 HydrophobicContact CZ-CG2 4.14Å; F96-F133 AromaticContact CE1-CD1 3.77Å; F96-F133 HydrophobicContact CE1-CD1 3.77Å; F96-F133 AromaticContact CE1-CE1 3.94Å; F96-F133 HydrophobicContact CE1-CE1 3.94Å; F96-Y173 PolarHBondContact N-O 2.97Å; F96-Y173 VanDerWaalsContact N-O 3.09Å; F96-Y173 PolarHBondContact O-N 3.33Å; F96-F328 HydrophobicContact CD2-CD1 4.28Å; F96-F328 HydrophobicContact CE2-CD1 4.22Å; F96-F328 HydrophobicContact CE2-CE1 4.44Å; F96-F331 HydrophobicContact CB-CD1 3.57Å; F96-F331 HydrophobicContact CB-CE1 3.98Å; F96-F331 HydrophobicContact CB-CG 4.25Å; F96-F331 HydrophobicContact CD2-CE1 4.26Å; F96-F331 HydrophobicContact CG-CD1 4.29Å; F96-F331 HydrophobicContact CG-CE1 4.35Å |
| 97 | T | 98.6 | Very high | 96.2 | Very high | 2 Ų | 2 | 25.6 Ų | 25.6 | 1% | 0.012 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 145 | 174 | 54.6 | 0 | 0 | 0 | 0 | 110.8 | T170 H171 L172 F328 D329 N330 W348 | T97-T170 HydrophobicContact CG2-CG2 4.17Å; T97-H171 CarbonylContact C-O 3.48Å; T97-H171 VanDerWaalsContact CA-O 3.25Å; T97-H171 WeakPolarHBondContact CA-O 3.37Å; T97-L172 HydrophobicContact CG2-CB 4.27Å; T97-L172 HydrophobicContact CG2-CD1 3.54Å; T97-F328 WeakPolarHBondContact O-CA 3.44Å; T97-D329 PolarHBondContact N-O 2.75Å; T97-D329 PolarHBondContact O-N 3.34Å; T97-D329 VanDerWaalsContact O-N 3.13Å; T97-D329 PolarHBondContact OG1-O 3.5Å; T97-N330 HydrophobicContact CG2-CB 4.09Å; T97-N330 VanDerWaalsContact CG2-OD1 3.3Å; T97-N330 WeakPolarHBondContact CG2-OD1 3.44Å; T97-N330 PolarHBondContact OG1-OD1 3Å; T97-W348 HydrophobicContact CG2-CB 3.92Å |
| 98 | V | 98.3 | Very high | 96.2 | Very high | 2 Ų | 2 | 25.6 Ų | 25.6 | 1% | 0.012 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 133.2 | 175.1 | -171.9 | 0 | 0 | 0 | 0 | 108.4 | F96 P135 H171 Y173 T326 I327 F328 | F96-V98 HydrophobicContact CD2-CG2 3.5Å; F96-V98 HydrophobicContact CE2-CG2 3.15Å; F96-V98 HydrophobicContact CZ-CG2 4.16Å; V98-P135 HydrophobicContact CB-CG 4.39Å; V98-P135 HydrophobicContact CG1-CG 4.4Å; V98-P135 HydrophobicContact CG2-CG 4.2Å; V98-H171 PolarHBondContact N-O 2.57Å; V98-H171 PolarHBondContact O-N 2.76Å; V98-Y173 HydrophobicContact CB-CD2 4.47Å; V98-Y173 HydrophobicContact CB-CE2 4.29Å; V98-Y173 HydrophobicContact CG2-CD2 4.21Å; V98-Y173 HydrophobicContact CG2-CE2 4.44Å; V98-T326 HydrophobicContact CG1-CG2 3.56Å; V98-I327 WeakPolarHBondContact CA-O 3.33Å; V98-F328 HydrophobicContact CG1-CD1 4.39Å; V98-F328 HydrophobicContact CG1-CE1 4.16Å; V98-F328 HydrophobicContact CG2-CD1 3.87Å; V98-F328 HydrophobicContact CG2-CE1 4.01Å |
| 99 | K | 98.1 | Very high | 96.2 | Very high | 6 Ų | 6 | 19.9 Ų | 19.9 | 3% | 0.026 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 121.9 | 173.8 | -179.2 | -174.7 | -178.3 | 156.3 | 0 | 109.8 | F57 E101 E168 T170 T326 I327 E355 | F57-K99 VanDerWaalsContact CE2-NZ 3.26Å; F57-K99 VanDerWaalsContact CZ-CE 3.45Å; F57-K99 PolarHBondContact O-NZ 3.44Å; K99-E101 HydrophobicContact CD-CB 4.25Å; K99-E101 HydrophobicContact CG-CB 4.26Å; K99-E101 PolarHBondContact O-N 2.92Å; K99-E168 WeakPolarHBondContact CE-O 3.32Å; K99-E168 WeakPolarHBondContact CG-O 3.08Å; K99-T170 WeakPolarHBondContact CD-OG1 3.27Å; K99-T326 CarbonylContact O-C 3.53Å; K99-T326 VanDerWaalsContact O-CA 3.26Å; K99-T326 WeakPolarHBondContact O-CA 3.16Å; K99-I327 HydrophobicContact CB-CB 4.32Å; K99-I327 HydrophobicContact CD-CD1 4.39Å; K99-I327 PolarHBondContact N-O 2.88Å; K99-I327 PolarHBondContact O-N 3.06Å; K99-E355 WeakPolarHBondContact CD-OE1 3.45Å; K99-E355 VanDerWaalsContact CE-OE1 3.28Å; K99-E355 WeakPolarHBondContact CE-OE1 3.46Å; K99-E355 IonicContact NZ-OE1 2.66Å; K99-E355 PolarHBondContact NZ-OE1 3.2Å |
| 100 | H | 97.2 | Very high | 96.3 | Very high | 7 Ų | 7 | 19 Ų | 19 | 3% | 0.032 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 65.2 | 175.3 | -64.5 | -57.6 | 0 | 0 | 0 | 110.9 | Q102 T103 I104 E168 T326 | H100-Q102 PolarHBondContact O-N 2.9Å; H100-T103 PolarHBondContact O-N 3.02Å; H100-I104 HydrophobicContact CB-CB 4.14Å; H100-I104 HydrophobicContact CB-CG2 3.75Å; H100-E168 WeakPolarHBondContact O-CA 3.48Å; H100-T326 VanDerWaalsContact CE1-CG2 3.48Å; H100-T326 WeakPolarHBondContact CE1-CG2 3.44Å; H100-T326 VanDerWaalsContact ND1-CG2 3.3Å; H100-T326 WeakPolarHBondContact ND1-CG2 3.34Å; H100-T326 PolarHBondContact ND1-OG1 2.77Å |
| 101 | E | 93.9 | Very high | 96.5 | Very high | 23 Ų | 23 | 16 Ų | 16 | 11% | 0.107 | 9% | 0.088 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -18.8 | -172.5 | 82.8 | 167.3 | 175 | 0 | 0 | 114.4 | G55 K56 F57 Q68 K99 T103 | G55-E101 WeakPolarHBondContact CA-OE1 3.48Å; G55-E101 WeakPolarHBondContact CA-OE2 3.26Å; K56-E101 PolarHBondContact N-OE2 3Å; F57-E101 HydrophobicContact CE1-CB 4.11Å; F57-E101 HydrophobicContact CZ-CB 4.41Å; Q68-E101 PolarHBondContact NE2-OE1 3.39Å; K99-E101 HydrophobicContact CD-CB 4.25Å; K99-E101 HydrophobicContact CG-CB 4.26Å; K99-E101 PolarHBondContact O-N 2.92Å; E101-T103 VanDerWaalsContact C-N 3.31Å; E101-T103 PolarHBondContact O-N 2.88Å |
| 102 | Q | 92.9 | Very high | 96.5 | Very high | 19 Ų | 19 | 14.9 Ų | 14.9 | 9% | 0.089 | 8% | 0.08 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | 4.1 | -174.5 | 73.7 | -85.6 | 32.2 | 0 | 0 | 113.7 | H100 K323 S324 G325 T326 | H100-Q102 PolarHBondContact O-N 2.9Å; Q102-K323 HydrophobicContact CB-CD 4.19Å; Q102-K323 HydrophobicContact CB-CG 4.32Å; Q102-K323 HydrophobicContact CG-CB 4.26Å; Q102-K323 HydrophobicContact CG-CD 3.96Å; Q102-K323 HydrophobicContact CG-CG 3.88Å; Q102-K323 PolarHBondContact NE2-O 3.03Å; Q102-K323 WeakPolarHBondContact O-CD 3.23Å; Q102-K323 WeakPolarHBondContact O-CE 3.42Å; Q102-K323 PolarHBondContact O-NZ 3.29Å; Q102-S324 VanDerWaalsContact CB-O 3.29Å; Q102-S324 WeakPolarHBondContact CB-O 3.23Å; Q102-S324 WeakPolarHBondContact CG-O 3.26Å; Q102-G325 PolarHBondContact OE1-O 3Å; Q102-T326 VanDerWaalsContact NE2-N 3.18Å; Q102-T326 PolarHBondContact NE2-OG1 3.39Å |
| 103 | T | 91.9 | Very high | 96.5 | Very high | 80 Ų | 80 | 15 Ų | 15 | 49% | 0.491 | 8% | 0.081 | S | C | . | . | trans | 51.7 | 77.4 | -162.5 | -61.8 | 0 | 0 | 0 | 0 | 110.1 | H100 E101 D105 E168 | H100-T103 PolarHBondContact O-N 3.02Å; E101-T103 VanDerWaalsContact C-N 3.31Å; E101-T103 PolarHBondContact O-N 2.88Å; T103-D105 PolarHBondContact O-N 2.88Å; T103-E168 PolarHBondContact N-OE1 3.03Å; T103-E168 PolarHBondContact OG1-OE1 2.92Å | ||
| 104 | I | 92.2 | Very high | 96.5 | Very high | 17 Ų | 17 | 15 Ų | 15 | 9% | 0.087 | 8% | 0.081 | C | C | . | . | trans | -66.2 | 133.7 | -176.5 | -163.1 | 169.5 | 0 | 0 | 0 | 111.4 | H100 I137 Q321 | H100-I104 HydrophobicContact CB-CB 4.14Å; H100-I104 HydrophobicContact CB-CG2 3.75Å; I104-I137 HydrophobicContact CG2-CB 4.16Å; I104-I137 HydrophobicContact CG2-CD1 3.6Å; I104-I137 HydrophobicContact CG2-CG1 4.47Å; I104-I137 HydrophobicContact CG2-CG2 4.15Å; I104-Q321 HydrophobicContact CD1-CG 4.49Å | ||
| 105 | D | 92.3 | Very high | 96.5 | Very high | 82 Ų | 82 | 16.3 Ų | 16.3 | 44% | 0.439 | 9% | 0.09 | S | C | . | . | S | Bend | trans | -99.2 | -46.9 | 178.3 | 59.7 | -20.1 | 0 | 0 | 0 | 111.8 | T103 G139 | T103-D105 PolarHBondContact O-N 2.88Å; D105-G139 PolarHBondContact O-N 2.91Å |
| 106 | C | 95.8 | Very high | 96.4 | Very high | 24 Ų | 24 | 17.3 Ų | 17.3 | 16% | 0.162 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 115 | 171.4 | -176.8 | 0 | 0 | 0 | 0 | 111.7 | I137 C138 V322 | C106-I137 CarbonylContact C-O 3.58Å; C106-I137 VanDerWaalsContact CA-O 3.23Å; C106-I137 WeakPolarHBondContact CA-O 3.39Å; C106-C138 HydrophobicContact CB-CB 3.93Å; C106-C138 WeakPolarHBondContact CB-SG 3.45Å; C106-C138 WeakPolarHBondContact SG-CB 3.28Å; C106-C138 CovalentContact SG-SG 2.06Å; C106-C138 PolarHBondContact SG-SG 3.22Å; C106-V322 HydrophobicContact CB-CB 4.42Å; C106-V322 HydrophobicContact CB-CG2 3.86Å; C106-V322 WeakPolarHBondContact O-CB 3.41Å; C106-V322 WeakPolarHBondContact O-CG2 3.43Å; C106-V322 PolarHBondContact O-N 3.34Å |
| 107 | G | 95.4 | Very high | 96.2 | Very high | 2 Ų | 2 | 26.1 Ų | 26.1 | 2% | 0.021 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 179.3 | 159.9 | 168.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | I137 W320 | G107-I137 PolarHBondContact N-O 3.18Å; G107-I137 PolarHBondContact O-N 2.87Å; G107-I137 VanDerWaalsContact O-O 3.13Å; G107-W320 CarbonylContact C-O 3.59Å; G107-W320 WeakPolarHBondContact CA-O 3.16Å |
| 108 | G | 95.3 | Very high | 96.1 | Very high | 1 Ų | 1 | 27 Ų | 27 | 1% | 0.01 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 140.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | W320 Q321 | G108-W320 PolarHBondContact N-O 2.87Å; G108-Q321 PolarHBondContact O-NE2 3.11Å |
| 109 | G | 97.2 | Very high | 96.1 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 17% | 0.165 | C | C | . | . | trans | -123.2 | 25.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | F96 P135 | F96-G109 WeakPolarHBondContact CE2-O 3.28Å; G109-P135 CarbonylContact C-O 3.59Å; G109-P135 VanDerWaalsContact C-O 3.29Å; G109-P135 VanDerWaalsContact CA-O 3.26Å; G109-P135 WeakPolarHBondContact CA-O 3.36Å; G109-P135 PolarHBondContact N-O 3Å; G109-P135 WeakPolarHBondContact O-CD 3.49Å; G109-P135 WeakPolarHBondContact O-CG 3.42Å | ||
| 110 | Y | 98.3 | Very high | 96.1 | Very high | 34 Ų | 34 | 31.7 Ų | 31.7 | 13% | 0.133 | 17% | 0.167 | C | C | . | . | trans | -102.1 | 160.2 | -176.7 | 50.4 | -99.1 | 0 | 0 | 0 | 113.3 | M132 F133 P135 D136 H146 D318 | Y110-M132 HydrophobicContact CD2-CG 3.69Å; Y110-M132 HydrophobicContact CD2-SD 3.57Å; Y110-M132 VanDerWaalsContact CD2-SD 3.57Å; Y110-M132 HydrophobicContact CE2-CE 4.46Å; Y110-M132 HydrophobicContact CE2-CG 4.29Å; Y110-M132 HydrophobicContact CE2-SD 3.6Å; Y110-M132 HydrophobicContact CG-CG 4.14Å; Y110-M132 HydrophobicContact CG-SD 4.08Å; Y110-F133 WeakPolarHBondContact CA-O 3.35Å; Y110-F133 WeakPolarHBondContact CB-O 3.4Å; Y110-P135 PolarHBondContact N-O 3.45Å; Y110-D136 HydrophobicContact CD1-CB 4.13Å; Y110-D136 HydrophobicContact CE1-CB 4.22Å; Y110-H146 AromaticContact CD1-CD2 3.98Å; Y110-D318 WeakPolarHBondContact CE2-O 3.44Å | ||
| 111 | I | 98.6 | Very high | 96.1 | Very high | 2 Ų | 2 | 35.4 Ų | 35.4 | 1% | 0.01 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 158.1 | 169.7 | 60.2 | 171.2 | 0 | 0 | 0 | 110.5 | I94 F96 M132 F133 I315 L317 F331 | I94-I111 HydrophobicContact CG2-CD1 3.46Å; I94-I111 VanDerWaalsContact CG2-CD1 3.46Å; F96-I111 HydrophobicContact CD1-CD1 3.77Å; F96-I111 HydrophobicContact CD1-CG1 4.15Å; F96-I111 HydrophobicContact CD1-CG2 4.47Å; F96-I111 HydrophobicContact CD2-CG2 4.16Å; F96-I111 HydrophobicContact CE1-CD1 3.89Å; F96-I111 HydrophobicContact CE1-CG1 3.77Å; F96-I111 HydrophobicContact CE1-CG2 4.38Å; F96-I111 HydrophobicContact CE2-CG2 4Å; F96-I111 HydrophobicContact CG-CD1 4.46Å; F96-I111 HydrophobicContact CG-CG2 4.38Å; F96-I111 HydrophobicContact CZ-CG1 4.11Å; F96-I111 HydrophobicContact CZ-CG2 4.14Å; I111-M132 WeakPolarHBondContact O-CA 3.3Å; I111-F133 WeakPolarHBondContact CG1-O 3.28Å; I111-F133 PolarHBondContact N-O 3.13Å; I111-F133 PolarHBondContact O-N 2.91Å; I111-I315 HydrophobicContact CB-CD1 4.46Å; I111-I315 HydrophobicContact CB-CG1 4.39Å; I111-I315 HydrophobicContact CD1-CD1 3.85Å; I111-I315 HydrophobicContact CD1-CG1 4.43Å; I111-I315 HydrophobicContact CG2-CD1 4.37Å; I111-L317 HydrophobicContact CG2-CD2 3.71Å; I111-F331 HydrophobicContact CG2-CD1 4.36Å; I111-F331 HydrophobicContact CG2-CE1 3.77Å |
| 112 | K | 98.6 | Very high | 96.2 | Very high | 8 Ų | 8 | 37.8 Ų | 37.8 | 4% | 0.035 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 132.9 | 169.6 | -63.7 | -179.3 | -167 | -172.5 | 0 | 109 | F114 G125 Y129 I131 M132 G316 D318 | K112-F114 HydrophobicContact CB-CD2 4.15Å; K112-F114 HydrophobicContact CB-CE1 4.39Å; K112-F114 HydrophobicContact CB-CE2 3.39Å; K112-F114 HydrophobicContact CB-CZ 3.54Å; K112-F114 HydrophobicContact CD-CE1 4.45Å; K112-F114 HydrophobicContact CD-CE2 4.42Å; K112-F114 HydrophobicContact CD-CZ 3.75Å; K112-F114 HydrophobicContact CG-CZ 4.29Å; K112-G125 PolarHBondContact NZ-O 2.93Å; K112-Y129 HydrophobicContact CD-CD1 3.92Å; K112-Y129 HydrophobicContact CD-CE1 4.41Å; K112-Y129 HydrophobicContact CD-CG 4.34Å; K112-Y129 HydrophobicContact CG-CG 4.5Å; K112-I131 CarbonylContact C-O 3.59Å; K112-I131 WeakPolarHBondContact CA-O 3.47Å; K112-M132 HydrophobicContact CD-CE 4.03Å; K112-M132 HydrophobicContact CG-CB 4.21Å; K112-M132 HydrophobicContact CG-CE 4.12Å; K112-M132 HydrophobicContact CG-CG 3.91Å; K112-G316 PolarHBondContact N-O 3.21Å; K112-G316 PolarHBondContact O-N 3.06Å; K112-D318 HydrophobicContact CD-CB 4.25Å; K112-D318 IonicContact NZ-OD2 3.22Å; K112-D318 PolarHBondContact NZ-OD2 3.09Å |
| 113 | L | 98.4 | Very high | 96.5 | Very high | 2 Ų | 2 | 36.9 Ų | 36.9 | 1% | 0.01 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 130.6 | 168.1 | -63.7 | -168.5 | 0 | 0 | 0 | 109.3 | I94 Y129 N130 I131 I312 I315 I333 | I94-L113 HydrophobicContact CD1-CD1 3.34Å; I94-L113 HydrophobicContact CD1-CG 4.27Å; I94-L113 HydrophobicContact CG1-CD1 3.8Å; L113-Y129 CarbonylContact O-C 3.51Å; L113-Y129 WeakPolarHBondContact O-CB 3.36Å; L113-N130 PolarHBondContact O-N 3.16Å; L113-I131 HydrophobicContact CB-CB 4.45Å; L113-I131 PolarHBondContact N-O 3.21Å; L113-I131 PolarHBondContact O-N 3.25Å; L113-I312 HydrophobicContact CB-CG2 4.45Å; L113-I312 HydrophobicContact CD1-CG2 4.22Å; L113-I315 HydrophobicContact CD2-CB 3.96Å; L113-I315 HydrophobicContact CD2-CD1 4.36Å; L113-I315 HydrophobicContact CD2-CG1 3.96Å; L113-I333 HydrophobicContact CD1-CD1 4.37Å; L113-I333 HydrophobicContact CD2-CD1 3.61Å |
| 114 | F | 98.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 156.4 | -176 | -60.6 | -92.5 | 0 | 0 | 0 | 111.2 | K112 L118 M123 V128 G313 V314 | K112-F114 HydrophobicContact CB-CD2 4.15Å; K112-F114 HydrophobicContact CB-CE1 4.39Å; K112-F114 HydrophobicContact CB-CE2 3.39Å; K112-F114 HydrophobicContact CB-CZ 3.54Å; K112-F114 HydrophobicContact CD-CE1 4.45Å; K112-F114 HydrophobicContact CD-CE2 4.42Å; K112-F114 HydrophobicContact CD-CZ 3.75Å; K112-F114 HydrophobicContact CG-CZ 4.29Å; F114-L118 HydrophobicContact CB-CB 4.04Å; F114-L118 HydrophobicContact CB-CD2 3.65Å; F114-L118 HydrophobicContact CB-CG 4.35Å; F114-L118 HydrophobicContact CD1-CD1 4.13Å; F114-L118 HydrophobicContact CD1-CD2 3.63Å; F114-L118 HydrophobicContact CD1-CG 4.35Å; F114-L118 HydrophobicContact CD2-CD2 3.67Å; F114-L118 HydrophobicContact CE1-CD1 4.49Å; F114-L118 HydrophobicContact CE1-CD2 4.09Å; F114-L118 HydrophobicContact CE2-CD2 4.11Å; F114-L118 HydrophobicContact CG-CD2 3.39Å; F114-L118 HydrophobicContact CG-CG 4.38Å; F114-L118 HydrophobicContact CZ-CD2 4.3Å; F114-M123 HydrophobicContact CE2-CG 4.4Å; F114-M123 HydrophobicContact CE2-SD 3.68Å; F114-M123 HydrophobicContact CZ-CG 4.02Å; F114-M123 HydrophobicContact CZ-SD 3.86Å; F114-V128 WeakPolarHBondContact CD1-O 3.43Å; F114-G313 PolarHBondContact O-N 3.46Å; F114-G313 VanDerWaalsContact O-N 3.15Å; F114-V314 HydrophobicContact CB-CB 4.1Å; F114-V314 HydrophobicContact CD2-CG1 4.34Å; F114-V314 PolarHBondContact N-O 2.96Å; F114-V314 PolarHBondContact O-N 3.17Å |
| 115 | P | 97.5 | Very high | 96.8 | Very high | 30 Ų | 30 | 36 Ų | 36 | 20% | 0.195 | 19% | 0.194 | C | C | . | . | trans | -63.2 | 157.7 | 167.8 | 29.5 | -35.9 | 0 | 0 | 0 | 110.9 | E117 L118 V128 S311 | P115-E117 PolarHBondContact O-N 3.37Å; P115-E117 VanDerWaalsContact O-N 3.1Å; P115-L118 PolarHBondContact O-N 2.98Å; P115-V128 WeakPolarHBondContact CD-O 3.35Å; P115-S311 WeakPolarHBondContact CA-O 3.32Å | ||
| 116 | S | 96.3 | Very high | 96.9 | Very high | 22 Ų | 22 | 38.9 Ų | 38.9 | 15% | 0.154 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -19.2 | -179.5 | -72.2 | 0 | 0 | 0 | 0 | 113.9 | R81 D84 L118 S311 G313 | R81-S116 PolarHBondContact NH1-O 3.06Å; D84-S116 WeakPolarHBondContact CB-OG 3.39Å; D84-S116 WeakPolarHBondContact OD1-CB 3.39Å; D84-S116 PolarHBondContact OD1-OG 3.25Å; S116-L118 VanDerWaalsContact C-N 3.27Å; S116-L118 PolarHBondContact O-N 2.9Å; S116-S311 WeakPolarHBondContact CB-OG 3.47Å; S116-S311 PolarHBondContact N-OG 3.18Å; S116-S311 PolarHBondContact OG-OG 3.43Å; S116-G313 VanDerWaalsContact OG-CA 3.29Å; S116-G313 WeakPolarHBondContact OG-CA 3.42Å |
| 117 | E | 95.4 | Very high | 96.9 | Very high | 185 Ų | 185 | 38.4 Ų | 38.4 | 86% | 0.864 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.9 | -9.1 | 179.5 | -61.5 | -176.4 | 172.4 | 0 | 0 | 114 | P115 N119 | P115-E117 PolarHBondContact O-N 3.37Å; P115-E117 VanDerWaalsContact O-N 3.1Å; E117-N119 PolarHBondContact O-N 3.39Å |
| 118 | L | 97.1 | Very high | 97 | Very high | 21 Ų | 21 | 42.9 Ų | 42.9 | 11% | 0.11 | 23% | 0.234 | C | C | . | . | trans | -56.6 | 130.3 | -179.4 | 178.7 | 70.7 | 0 | 0 | 0 | 111.3 | R81 F114 P115 S116 Q120 M123 V314 | R81-L118 PolarHBondContact NH2-O 2.91Å; F114-L118 HydrophobicContact CB-CB 4.04Å; F114-L118 HydrophobicContact CB-CD2 3.65Å; F114-L118 HydrophobicContact CB-CG 4.35Å; F114-L118 HydrophobicContact CD1-CD1 4.13Å; F114-L118 HydrophobicContact CD1-CD2 3.63Å; F114-L118 HydrophobicContact CD1-CG 4.35Å; F114-L118 HydrophobicContact CD2-CD2 3.67Å; F114-L118 HydrophobicContact CE1-CD1 4.49Å; F114-L118 HydrophobicContact CE1-CD2 4.09Å; F114-L118 HydrophobicContact CE2-CD2 4.11Å; F114-L118 HydrophobicContact CG-CD2 3.39Å; F114-L118 HydrophobicContact CG-CG 4.38Å; F114-L118 HydrophobicContact CZ-CD2 4.3Å; P115-L118 PolarHBondContact O-N 2.98Å; S116-L118 VanDerWaalsContact C-N 3.27Å; S116-L118 PolarHBondContact O-N 2.9Å; L118-Q120 PolarHBondContact O-N 3.22Å; L118-M123 HydrophobicContact CD2-CB 4.44Å; L118-M123 HydrophobicContact CD2-CG 4.09Å; L118-M123 HydrophobicContact CD2-SD 4.26Å; L118-V314 HydrophobicContact CD2-CB 4.39Å; L118-V314 HydrophobicContact CD2-CG1 3.9Å | ||
| 119 | N | 97.4 | Very high | 97.1 | Very high | 92 Ų | 92 | 43.6 Ų | 43.6 | 49% | 0.492 | 24% | 0.236 | S | C | . | . | trans | -79.4 | 104 | 166.2 | -178.2 | 12.6 | 0 | 0 | 0 | 110.2 | E117 E121 D122 M123 | E117-N119 PolarHBondContact O-N 3.39Å; N119-E121 VanDerWaalsContact C-N 3.26Å; N119-E121 PolarHBondContact O-N 3.25Å; N119-E121 PolarHBondContact OD1-N 3.17Å; N119-D122 HydrophobicContact CB-CB 4.46Å; N119-D122 CarbonylContact O-C 3.52Å; N119-D122 PolarHBondContact O-N 2.92Å; N119-D122 VanDerWaalsContact O-N 3.09Å; N119-M123 PolarHBondContact O-N 2.98Å | ||
| 120 | Q | 97.6 | Very high | 97.1 | Very high | 15 Ų | 15 | 44.4 Ų | 44.4 | 7% | 0.07 | 24% | 0.24 | C | C | . | . | G | 310 helix | trans | -62.3 | -31 | -178.2 | -69.6 | 177.6 | -95.2 | 0 | 0 | 113.2 | M39 S79 L118 D122 M123 V314 | M39-Q120 HydrophobicContact CB-CB 4.34Å; M39-Q120 HydrophobicContact CG-CB 4.22Å; M39-Q120 HydrophobicContact SD-CB 3.55Å; M39-Q120 VanDerWaalsContact SD-CB 3.55Å; S79-Q120 PolarHBondContact O-NE2 3.35Å; S79-Q120 VanDerWaalsContact O-NE2 3.11Å; S79-Q120 WeakPolarHBondContact OG-CB 3.44Å; S79-Q120 VanDerWaalsContact OG-CG 3.27Å; S79-Q120 WeakPolarHBondContact OG-CG 3.44Å; S79-Q120 PolarHBondContact OG-NE2 3.14Å; L118-Q120 PolarHBondContact O-N 3.22Å; Q120-D122 PolarHBondContact O-N 3.08Å; Q120-M123 PolarHBondContact O-N 3.37Å; Q120-V314 HydrophobicContact CG-CG1 4.1Å; Q120-V314 HydrophobicContact CG-CG2 4.43Å |
| 121 | E | 97.3 | Very high | 97.1 | Very high | 84 Ų | 84 | 42.9 Ų | 42.9 | 39% | 0.393 | 23% | 0.234 | S | C | . | . | G | 310 helix | trans | -69.2 | -17.6 | 177.7 | -62.1 | -163.5 | 139.4 | 0 | 0 | 112.9 | M39 K42 H43 N119 | M39-E121 HydrophobicContact SD-CG 3.7Å; K42-E121 WeakPolarHBondContact CA-O 3.31Å; K42-E121 WeakPolarHBondContact CB-O 3.22Å; K42-E121 PolarHBondContact N-O 3.45Å; K42-E121 IonicContact NZ-OE1 3.55Å; K42-E121 PolarHBondContact NZ-OE1 2.98Å; H43-E121 PolarHBondContact N-O 2.67Å; N119-E121 VanDerWaalsContact C-N 3.26Å; N119-E121 PolarHBondContact O-N 3.25Å; N119-E121 PolarHBondContact OD1-N 3.17Å |
| 122 | D | 97.5 | Very high | 97.1 | Very high | 74 Ų | 74 | 43.4 Ų | 43.4 | 40% | 0.396 | 24% | 0.237 | S | C | . | . | G | 310 helix | trans | -119.8 | 21.1 | -179.3 | -165 | 41.5 | 0 | 0 | 0 | 111.8 | H43 N119 Q120 H124 | H43-D122 IonicContact CE1-OD1 2.62Å; H43-D122 IonicContact CG-OD1 2.74Å; H43-D122 IonicContact ND1-OD1 3.46Å; H43-D122 PolarHBondContact ND1-OD1 2.8Å; N119-D122 HydrophobicContact CB-CB 4.46Å; N119-D122 CarbonylContact O-C 3.52Å; N119-D122 PolarHBondContact O-N 2.92Å; N119-D122 VanDerWaalsContact O-N 3.09Å; Q120-D122 PolarHBondContact O-N 3.08Å; D122-H124 PolarHBondContact O-N 2.75Å; D122-H124 PolarHBondContact O-ND1 2.7Å |
| 123 | M | 97.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 24% | 0.236 | C | C | . | . | trans | -67.2 | 132.8 | 179.1 | -173.4 | -172.1 | 71.1 | 0 | 0 | 111.1 | S41 Y47 A77 F114 L118 N119 Q120 D318 | S41-M123 VanDerWaalsContact CB-O 3.23Å; S41-M123 WeakPolarHBondContact CB-O 3.33Å; S41-M123 PolarHBondContact OG-N 2.63Å; S41-M123 PolarHBondContact OG-O 3.03Å; Y47-M123 PolarHBondContact OH-O 3.12Å; A77-M123 HydrophobicContact CB-CE 3.88Å; F114-M123 HydrophobicContact CE2-CG 4.4Å; F114-M123 HydrophobicContact CE2-SD 3.68Å; F114-M123 HydrophobicContact CZ-CG 4.02Å; F114-M123 HydrophobicContact CZ-SD 3.86Å; L118-M123 HydrophobicContact CD2-CB 4.44Å; L118-M123 HydrophobicContact CD2-CG 4.09Å; L118-M123 HydrophobicContact CD2-SD 4.26Å; N119-M123 PolarHBondContact O-N 2.98Å; Q120-M123 PolarHBondContact O-N 3.37Å; M123-D318 HydrophobicContact CE-CB 4.16Å | ||
| 124 | H | 96.7 | Very high | 97.1 | Very high | 38 Ų | 38 | 43 Ų | 43 | 18% | 0.176 | 24% | 0.235 | C | C | . | . | trans | -157.2 | 179.8 | -179.4 | 60.3 | -79.2 | 0 | 0 | 0 | 111.9 | H43 D122 D126 S127 | H43-H124 HydrophobicContact CB-CB 4.28Å; H43-H124 AromaticContact CD2-CG 3.85Å; H43-H124 AromaticContact CE1-CE1 4Å; H43-H124 AromaticContact CE1-CG 3.82Å; H43-H124 AromaticContact CE1-ND1 3.75Å; H43-H124 AromaticContact CG-CG 3.99Å; H43-H124 AromaticContact ND1-CG 3.98Å; H43-H124 AromaticContact ND1-ND1 3.66Å; H43-H124 AromaticContact NE2-CD2 3.98Å; H43-H124 AromaticContact NE2-CG 3.76Å; D122-H124 PolarHBondContact O-N 2.75Å; D122-H124 PolarHBondContact O-ND1 2.7Å; H124-D126 VanDerWaalsContact C-N 3.28Å; H124-D126 PolarHBondContact CD2-N 2.59Å; H124-D126 PolarHBondContact O-N 2.94Å; H124-D126 VanDerWaalsContact O-N 3.17Å; H124-S127 PolarHBondContact CE1-OG 3.17Å; H124-S127 PolarHBondContact N-OG 3.28Å; H124-S127 PolarHBondContact ND1-OG 2.78Å; H124-S127 WeakPolarHBondContact O-CB 3.48Å; H124-S127 PolarHBondContact O-N 2.63Å; H124-S127 PolarHBondContact O-OG 2.72Å; H124-S127 VanDerWaalsContact O-OG 3.14Å | ||
| 125 | G | 93.2 | Very high | 97.1 | Very high | 40 Ų | 40 | 43 Ų | 43 | 41% | 0.412 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -48.1 | -41.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 116 | K112 D318 | K112-G125 PolarHBondContact NZ-O 2.93Å; G125-D318 WeakPolarHBondContact CA-OD2 3.38Å; G125-D318 PolarHBondContact N-OD2 2.75Å |
| 126 | D | 94.6 | Very high | 97.1 | Very high | 143 Ų | 143 | 43 Ų | 43 | 77% | 0.765 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.7 | -0.1 | -176.1 | -55.7 | -46.4 | 0 | 0 | 0 | 113.4 | H124 V128 | H124-D126 VanDerWaalsContact C-N 3.28Å; H124-D126 PolarHBondContact CD2-N 2.59Å; H124-D126 PolarHBondContact O-N 2.94Å; H124-D126 VanDerWaalsContact O-N 3.17Å; D126-V128 PolarHBondContact O-N 3.35Å |
| 127 | S | 96.5 | Very high | 97.1 | Very high | 13 Ų | 13 | 42 Ų | 42 | 9% | 0.091 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -60 | 132.7 | 174.3 | -65 | 0 | 0 | 0 | 0 | 110.4 | H124 Y129 | H124-S127 PolarHBondContact CE1-OG 3.17Å; H124-S127 PolarHBondContact N-OG 3.28Å; H124-S127 PolarHBondContact ND1-OG 2.78Å; H124-S127 WeakPolarHBondContact O-CB 3.48Å; H124-S127 PolarHBondContact O-N 2.63Å; H124-S127 PolarHBondContact O-OG 2.72Å; H124-S127 VanDerWaalsContact O-OG 3.14Å; S127-Y129 WeakPolarHBondContact O-CD1 3.17Å; S127-Y129 PolarHBondContact O-N 2.91Å; S127-Y129 VanDerWaalsContact O-N 3.09Å |
| 128 | V | 96.4 | Very high | 97.1 | Very high | 97 Ų | 97 | 35.7 Ų | 35.7 | 59% | 0.588 | 20% | 0.202 | S | C | * | . | trans | -70.1 | 107.8 | -177.4 | -177.8 | 0 | 0 | 0 | 0 | 109.8 | F114 P115 D126 | F114-V128 WeakPolarHBondContact CD1-O 3.43Å; P115-V128 WeakPolarHBondContact CD-O 3.35Å; D126-V128 PolarHBondContact O-N 3.35Å | ||
| 129 | Y | 97.8 | Very high | 96.8 | Very high | 16 Ų | 16 | 36.1 Ų | 36.1 | 6% | 0.063 | 21% | 0.211 | C | C | . | . | trans | -98.3 | 158.9 | 172.8 | 56.6 | -92.7 | 0 | 0 | 0 | 110.8 | K112 L113 S127 M132 I148 N150 N155 | K112-Y129 HydrophobicContact CD-CD1 3.92Å; K112-Y129 HydrophobicContact CD-CE1 4.41Å; K112-Y129 HydrophobicContact CD-CG 4.34Å; K112-Y129 HydrophobicContact CG-CG 4.5Å; L113-Y129 CarbonylContact O-C 3.51Å; L113-Y129 WeakPolarHBondContact O-CB 3.36Å; S127-Y129 WeakPolarHBondContact O-CD1 3.17Å; S127-Y129 PolarHBondContact O-N 2.91Å; S127-Y129 VanDerWaalsContact O-N 3.09Å; Y129-M132 HydrophobicContact CD1-CE 4.41Å; Y129-M132 HydrophobicContact CD2-CB 4.1Å; Y129-M132 HydrophobicContact CE1-CE 3.63Å; Y129-M132 HydrophobicContact CE2-CB 3.74Å; Y129-M132 HydrophobicContact CE2-CE 4.08Å; Y129-M132 VanDerWaalsContact CZ-CE 3.43Å; Y129-M132 WeakPolarHBondContact OH-CE 3.4Å; Y129-I148 HydrophobicContact CE2-CB 4.46Å; Y129-I148 HydrophobicContact CE2-CG2 4.16Å; Y129-N150 WeakPolarHBondContact O-CB 3.27Å; Y129-N155 VanDerWaalsContact OH-CG 3.24Å; Y129-N155 PolarHBondContact OH-ND2 3.31Å; Y129-N155 VanDerWaalsContact OH-ND2 3.08Å | ||
| 130 | N | 97.9 | Very high | 96.2 | Very high | 17 Ų | 17 | 38.1 Ų | 38.1 | 9% | 0.091 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -81.6 | -51.8 | 170.9 | -69.4 | -22.8 | 0 | 0 | 0 | 110.8 | L113 N150 Y309 S311 | L113-N130 PolarHBondContact O-N 3.16Å; N130-N150 WeakPolarHBondContact O-CB 3.44Å; N130-N150 PolarHBondContact O-N 3.45Å; N130-Y309 HydrophobicContact CB-CD1 3.5Å; N130-Y309 HydrophobicContact CB-CE1 3.56Å; N130-Y309 HydrophobicContact CB-CG 4.04Å; N130-Y309 VanDerWaalsContact CG-CD1 3.43Å; N130-Y309 PolarHBondContact O-OH 3.2Å; N130-Y309 VanDerWaalsContact O-OH 3.05Å; N130-S311 PolarHBondContact ND2-O 2.98Å |
| 131 | I | 98.5 | Very high | 95.6 | Very high | 1 Ų | 1 | 40.9 Ų | 40.9 | 1% | 0.005 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 136.5 | -174.6 | -54 | 175.5 | 0 | 0 | 0 | 109.2 | L92 I94 K112 L113 F133 I148 F149 L175 Y309 | L92-I131 HydrophobicContact CD2-CD1 3.61Å; I94-I131 HydrophobicContact CD1-CD1 4.09Å; I94-I131 HydrophobicContact CD1-CG2 4.4Å; K112-I131 CarbonylContact C-O 3.59Å; K112-I131 WeakPolarHBondContact CA-O 3.47Å; L113-I131 HydrophobicContact CB-CB 4.45Å; L113-I131 PolarHBondContact N-O 3.21Å; L113-I131 PolarHBondContact O-N 3.25Å; I131-F133 HydrophobicContact CG2-CB 4.48Å; I131-I148 CarbonylContact C-O 3.52Å; I131-I148 VanDerWaalsContact CA-O 3.32Å; I131-I148 WeakPolarHBondContact CA-O 3.43Å; I131-F149 HydrophobicContact CD1-CD1 4.14Å; I131-F149 HydrophobicContact CD1-CE1 3.82Å; I131-F149 HydrophobicContact CG1-CD1 3.8Å; I131-F149 HydrophobicContact CG1-CE1 3.95Å; I131-F149 HydrophobicContact CG2-CD1 4.31Å; I131-F149 HydrophobicContact CG2-CE1 4.1Å; I131-L175 HydrophobicContact CG2-CD2 4.04Å; I131-Y309 HydrophobicContact CD1-CD2 4.1Å; I131-Y309 HydrophobicContact CD1-CE2 3.68Å; I131-Y309 HydrophobicContact CG1-CD2 4.33Å; I131-Y309 HydrophobicContact CG1-CE2 3.62Å |
| 132 | M | 98.6 | Very high | 95.2 | Very high | 14 Ų | 14 | 39.3 Ų | 39.3 | 7% | 0.069 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 127.4 | 164.4 | -174.9 | -171.5 | -48.3 | 0 | 0 | 109.2 | Y110 I111 K112 Y129 V147 I148 | Y110-M132 HydrophobicContact CD2-CG 3.69Å; Y110-M132 HydrophobicContact CD2-SD 3.57Å; Y110-M132 VanDerWaalsContact CD2-SD 3.57Å; Y110-M132 HydrophobicContact CE2-CE 4.46Å; Y110-M132 HydrophobicContact CE2-CG 4.29Å; Y110-M132 HydrophobicContact CE2-SD 3.6Å; Y110-M132 HydrophobicContact CG-CG 4.14Å; Y110-M132 HydrophobicContact CG-SD 4.08Å; I111-M132 WeakPolarHBondContact O-CA 3.3Å; K112-M132 HydrophobicContact CD-CE 4.03Å; K112-M132 HydrophobicContact CG-CB 4.21Å; K112-M132 HydrophobicContact CG-CE 4.12Å; K112-M132 HydrophobicContact CG-CG 3.91Å; Y129-M132 HydrophobicContact CD1-CE 4.41Å; Y129-M132 HydrophobicContact CD2-CB 4.1Å; Y129-M132 HydrophobicContact CE1-CE 3.63Å; Y129-M132 HydrophobicContact CE2-CB 3.74Å; Y129-M132 HydrophobicContact CE2-CE 4.08Å; Y129-M132 VanDerWaalsContact CZ-CE 3.43Å; Y129-M132 WeakPolarHBondContact OH-CE 3.4Å; M132-V147 WeakPolarHBondContact O-CA 3.37Å; M132-I148 HydrophobicContact CB-CB 4.11Å; M132-I148 HydrophobicContact CB-CD1 4.49Å; M132-I148 HydrophobicContact CB-CG1 4.48Å; M132-I148 HydrophobicContact CE-CD1 4.36Å; M132-I148 PolarHBondContact N-O 3.16Å; M132-I148 PolarHBondContact O-N 3.42Å; M132-I148 HydrophobicContact SD-CD1 4Å |
| 133 | F | 98.7 | Very high | 95.1 | Very high | 2 Ų | 2 | 38.8 Ų | 38.8 | 1% | 0.009 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 130.5 | -175.8 | 174.5 | -120.7 | 0 | 0 | 0 | 112.4 | I94 F96 Y110 I111 I131 V145 H146 V147 L175 V185 | I94-F133 HydrophobicContact CG2-CD1 4.39Å; F96-F133 AromaticContact CE1-CD1 3.77Å; F96-F133 HydrophobicContact CE1-CD1 3.77Å; F96-F133 AromaticContact CE1-CE1 3.94Å; F96-F133 HydrophobicContact CE1-CE1 3.94Å; Y110-F133 WeakPolarHBondContact CA-O 3.35Å; Y110-F133 WeakPolarHBondContact CB-O 3.4Å; I111-F133 WeakPolarHBondContact CG1-O 3.28Å; I111-F133 PolarHBondContact N-O 3.13Å; I111-F133 PolarHBondContact O-N 2.91Å; I131-F133 HydrophobicContact CG2-CB 4.48Å; F133-V145 HydrophobicContact CD2-CG1 4.08Å; F133-V145 HydrophobicContact CE2-CG1 3.6Å; F133-V145 HydrophobicContact CZ-CG1 4.47Å; F133-H146 VanDerWaalsContact CA-O 3.27Å; F133-H146 WeakPolarHBondContact CA-O 3.31Å; F133-H146 WeakPolarHBondContact CD2-O 2.83Å; F133-V147 HydrophobicContact CD2-CG2 3.97Å; F133-V147 HydrophobicContact CE2-CG2 4.2Å; F133-L175 HydrophobicContact CB-CD2 3.98Å; F133-L175 HydrophobicContact CD1-CB 3.59Å; F133-L175 HydrophobicContact CD1-CD2 4.39Å; F133-L175 HydrophobicContact CD2-CB 3.92Å; F133-L175 HydrophobicContact CD2-CD2 4.05Å; F133-L175 HydrophobicContact CD2-CG 4.46Å; F133-L175 HydrophobicContact CE1-CB 3.54Å; F133-L175 HydrophobicContact CE2-CB 3.85Å; F133-L175 HydrophobicContact CG-CB 3.8Å; F133-L175 HydrophobicContact CG-CD2 3.87Å; F133-L175 HydrophobicContact CG-CG 4.45Å; F133-L175 HydrophobicContact CZ-CB 3.68Å; F133-V185 HydrophobicContact CE2-CG1 3.99Å; F133-V185 HydrophobicContact CZ-CG1 4.22Å |
| 134 | G | 98.2 | Very high | 95 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 143.1 | 178 | 169.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | V145 H146 | G134-V145 CarbonylContact O-C 3.55Å; G134-V145 WeakPolarHBondContact O-CA 3.48Å; G134-H146 PolarHBondContact N-O 3.38Å; G134-H146 PolarHBondContact O-N 2.85Å |
| 135 | P | 97.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 146.5 | -178.9 | 27.6 | -37 | 0 | 0 | 0 | 113 | V98 G109 Y110 C164 Y173 | V98-P135 HydrophobicContact CB-CG 4.39Å; V98-P135 HydrophobicContact CG1-CG 4.4Å; V98-P135 HydrophobicContact CG2-CG 4.2Å; G109-P135 CarbonylContact C-O 3.59Å; G109-P135 VanDerWaalsContact C-O 3.29Å; G109-P135 VanDerWaalsContact CA-O 3.26Å; G109-P135 WeakPolarHBondContact CA-O 3.36Å; G109-P135 PolarHBondContact N-O 3Å; G109-P135 WeakPolarHBondContact O-CD 3.49Å; G109-P135 WeakPolarHBondContact O-CG 3.42Å; Y110-P135 PolarHBondContact N-O 3.45Å; P135-C164 HydrophobicContact CB-CB 3.72Å; P135-Y173 HydrophobicContact CB-CE1 4.18Å; P135-Y173 HydrophobicContact CB-CE2 4.32Å; P135-Y173 HydrophobicContact CG-CD2 4.23Å; P135-Y173 HydrophobicContact CG-CE1 4.24Å; P135-Y173 HydrophobicContact CG-CE2 3.69Å |
| 136 | D | 97.1 | Very high | 95.3 | Very high | 29 Ų | 29 | 39.7 Ų | 39.7 | 16% | 0.155 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 121.5 | 171.3 | -173.9 | 43.4 | 0 | 0 | 0 | 109.2 | Y110 K144 H146 | Y110-D136 HydrophobicContact CD1-CB 4.13Å; Y110-D136 HydrophobicContact CE1-CB 4.22Å; D136-K144 PolarHBondContact N-O 2.79Å; D136-K144 PolarHBondContact O-N 3.34Å; D136-K144 VanDerWaalsContact O-N 3.1Å; D136-H146 WeakPolarHBondContact CB-CD2 3.28Å; D136-H146 VanDerWaalsContact CB-NE2 3.34Å; D136-H146 WeakPolarHBondContact CB-NE2 3.39Å; D136-H146 IonicContact OD2-CD2 2.92Å; D136-H146 IonicContact OD2-CE1 3.5Å; D136-H146 IonicContact OD2-NE2 3.46Å; D136-H146 PolarHBondContact OD2-NE2 2.96Å |
| 137 | I | 96.7 | Very high | 95.5 | Very high | 1 Ų | 1 | 32.9 Ų | 32.9 | 1% | 0.005 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 126.2 | -175.9 | -64.3 | 169.3 | 0 | 0 | 0 | 107 | I104 C106 G107 T142 K143 C164 D166 | I104-I137 HydrophobicContact CG2-CB 4.16Å; I104-I137 HydrophobicContact CG2-CD1 3.6Å; I104-I137 HydrophobicContact CG2-CG1 4.47Å; I104-I137 HydrophobicContact CG2-CG2 4.15Å; C106-I137 CarbonylContact C-O 3.58Å; C106-I137 VanDerWaalsContact CA-O 3.23Å; C106-I137 WeakPolarHBondContact CA-O 3.39Å; G107-I137 PolarHBondContact N-O 3.18Å; G107-I137 PolarHBondContact O-N 2.87Å; G107-I137 VanDerWaalsContact O-O 3.13Å; I137-T142 CarbonylContact C-O 3.5Å; I137-T142 VanDerWaalsContact CA-O 3.31Å; I137-T142 WeakPolarHBondContact CA-O 3.26Å; I137-K143 HydrophobicContact CG2-CG 4.32Å; I137-C164 VanDerWaalsContact CG1-SG 3.57Å; I137-D166 HydrophobicContact CD1-CB 4.2Å |
| 138 | C | 94.6 | Very high | 95.5 | Very high | 52 Ų | 52 | 32.7 Ų | 32.7 | 35% | 0.351 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 100.2 | 168.5 | -162.9 | 0 | 0 | 0 | 0 | 110.7 | C106 T142 | C106-C138 HydrophobicContact CB-CB 3.93Å; C106-C138 WeakPolarHBondContact CB-SG 3.45Å; C106-C138 WeakPolarHBondContact SG-CB 3.28Å; C106-C138 CovalentContact SG-SG 2.06Å; C106-C138 PolarHBondContact SG-SG 3.22Å; C138-T142 PolarHBondContact N-O 3.08Å; C138-T142 WeakPolarHBondContact O-CB 3.47Å; C138-T142 PolarHBondContact O-N 2.94Å |
| 139 | G | 91.3 | Very high | 95.6 | Very high | 30 Ų | 30 | 28.2 Ų | 28.2 | 31% | 0.309 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 63.8 | -165.6 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | D105 G141 | D105-G139 PolarHBondContact O-N 2.91Å; G139-G141 VanDerWaalsContact C-N 3.26Å; G139-G141 PolarHBondContact O-N 3.22Å |
| 140 | P | 85.9 | Confident | 95.6 | Very high | 134 Ų | 134 | 28.7 Ų | 28.7 | 87% | 0.87 | 18% | 0.183 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.5 | -19 | 178.2 | 28.5 | -34 | 0 | 0 | 0 | 113.3 | ||
| 141 | G | 84.4 | Confident | 95.5 | Very high | 74 Ų | 74 | 28.9 Ų | 28.9 | 76% | 0.763 | 18% | 0.182 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.3 | -26.4 | -173.8 | 0 | 0 | 0 | 0 | 0 | 115 | G139 | G139-G141 VanDerWaalsContact C-N 3.26Å; G139-G141 PolarHBondContact O-N 3.22Å |
| 142 | T | 89.4 | Confident | 95.1 | Very high | 50 Ų | 50 | 36.7 Ų | 36.7 | 31% | 0.307 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 102.9 | -177.8 | -49.2 | 0 | 0 | 0 | 0 | 109 | I137 C138 K144 | I137-T142 CarbonylContact C-O 3.5Å; I137-T142 VanDerWaalsContact CA-O 3.31Å; I137-T142 WeakPolarHBondContact CA-O 3.26Å; C138-T142 PolarHBondContact N-O 3.08Å; C138-T142 WeakPolarHBondContact O-CB 3.47Å; C138-T142 PolarHBondContact O-N 2.94Å; T142-K144 HydrophobicContact CG2-CG 4.42Å |
| 143 | K | 94.7 | Very high | 94.8 | Very high | 64 Ų | 64 | 39.2 Ų | 39.2 | 28% | 0.278 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 72.4 | 176 | -69.1 | -172.9 | 173.6 | -174.1 | 0 | 109.6 | I137 C164 D166 | I137-K143 HydrophobicContact CG2-CG 4.32Å; K143-C164 PolarHBondContact O-N 2.86Å; K143-D166 HydrophobicContact CD-CB 4.15Å; K143-D166 WeakPolarHBondContact CD-OD2 3.43Å; K143-D166 WeakPolarHBondContact CE-OD2 3.3Å; K143-D166 IonicContact NZ-OD2 2.72Å; K143-D166 PolarHBondContact NZ-OD2 2.87Å |
| 144 | K | 96.3 | Very high | 94.6 | Very high | 70 Ų | 70 | 45.7 Ų | 45.7 | 30% | 0.304 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 158.5 | -171.1 | 64.6 | -180 | -179.3 | 176.3 | 0 | 112.4 | D136 T142 H146 I162 | D136-K144 PolarHBondContact N-O 2.79Å; D136-K144 PolarHBondContact O-N 3.34Å; D136-K144 VanDerWaalsContact O-N 3.1Å; T142-K144 HydrophobicContact CG2-CG 4.42Å; K144-H146 WeakPolarHBondContact CE-CE1 3.41Å; K144-I162 CarbonylContact C-O 3.56Å; K144-I162 WeakPolarHBondContact CA-O 3.32Å |
| 145 | V | 98 | Very high | 94.6 | Very high | 2 Ų | 2 | 48.5 Ų | 48.5 | 1% | 0.012 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 117.1 | 168.7 | -178.2 | 0 | 0 | 0 | 0 | 107.7 | F133 G134 V147 I162 C164 Y173 I187 | F133-V145 HydrophobicContact CD2-CG1 4.08Å; F133-V145 HydrophobicContact CE2-CG1 3.6Å; F133-V145 HydrophobicContact CZ-CG1 4.47Å; G134-V145 CarbonylContact O-C 3.55Å; G134-V145 WeakPolarHBondContact O-CA 3.48Å; V145-V147 HydrophobicContact CG1-CG2 4.34Å; V145-I162 HydrophobicContact CB-CB 4.1Å; V145-I162 HydrophobicContact CB-CG2 3.93Å; V145-I162 HydrophobicContact CG2-CG2 3.95Å; V145-I162 PolarHBondContact N-O 3.07Å; V145-C164 HydrophobicContact CG2-CB 3.74Å; V145-Y173 HydrophobicContact CG2-CD1 4.16Å; V145-Y173 HydrophobicContact CG2-CE1 3.73Å; V145-I187 HydrophobicContact CG2-CD1 4.1Å |
| 146 | H | 97.9 | Very high | 94.5 | Very high | 24 Ų | 24 | 49.4 Ų | 49.4 | 11% | 0.111 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 134.3 | 169.8 | -74.6 | -61.5 | 0 | 0 | 0 | 109.5 | Y110 F133 G134 D136 K144 I148 | Y110-H146 AromaticContact CD1-CD2 3.98Å; F133-H146 VanDerWaalsContact CA-O 3.27Å; F133-H146 WeakPolarHBondContact CA-O 3.31Å; F133-H146 WeakPolarHBondContact CD2-O 2.83Å; G134-H146 PolarHBondContact N-O 3.38Å; G134-H146 PolarHBondContact O-N 2.85Å; D136-H146 WeakPolarHBondContact CB-CD2 3.28Å; D136-H146 VanDerWaalsContact CB-NE2 3.34Å; D136-H146 WeakPolarHBondContact CB-NE2 3.39Å; D136-H146 IonicContact OD2-CD2 2.92Å; D136-H146 IonicContact OD2-CE1 3.5Å; D136-H146 IonicContact OD2-NE2 3.46Å; D136-H146 PolarHBondContact OD2-NE2 2.96Å; K144-H146 WeakPolarHBondContact CE-CE1 3.41Å; H146-I148 HydrophobicContact CB-CD1 4.27Å; H146-I148 HydrophobicContact CB-CG1 4.19Å |
| 147 | V | 98.1 | Very high | 94.5 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 95.1 | 166.6 | -167.4 | 0 | 0 | 0 | 0 | 105.9 | M132 F133 V145 F149 I158 I162 L175 V185 W201 | M132-V147 WeakPolarHBondContact O-CA 3.37Å; F133-V147 HydrophobicContact CD2-CG2 3.97Å; F133-V147 HydrophobicContact CE2-CG2 4.2Å; V145-V147 HydrophobicContact CG1-CG2 4.34Å; V147-F149 HydrophobicContact CG1-CE2 3.78Å; V147-F149 HydrophobicContact CG1-CZ 4.11Å; V147-I158 HydrophobicContact CB-CB 4.3Å; V147-I158 HydrophobicContact CB-CD1 4.42Å; V147-I158 HydrophobicContact CB-CG2 4.23Å; V147-I158 HydrophobicContact CG2-CD1 4.43Å; V147-I158 PolarHBondContact O-N 3.22Å; V147-I162 HydrophobicContact CG2-CD1 4.13Å; V147-L175 HydrophobicContact CG1-CD1 3.93Å; V147-L175 HydrophobicContact CG1-CD2 3.99Å; V147-V185 HydrophobicContact CG2-CG2 4.03Å; V147-W201 HydrophobicContact CB-CZ2 3.84Å; V147-W201 HydrophobicContact CG1-CH2 4.15Å; V147-W201 HydrophobicContact CG1-CZ2 3.59Å; V147-W201 PolarHBondContact O-NE1 2.89Å |
| 148 | I | 98.2 | Very high | 94.5 | Very high | 10 Ų | 10 | 53.2 Ų | 53.2 | 5% | 0.051 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 125.2 | -172.2 | -49.1 | -179.8 | 0 | 0 | 0 | 108.5 | Y129 I131 M132 H146 N155 H156 L157 | Y129-I148 HydrophobicContact CE2-CB 4.46Å; Y129-I148 HydrophobicContact CE2-CG2 4.16Å; I131-I148 CarbonylContact C-O 3.52Å; I131-I148 VanDerWaalsContact CA-O 3.32Å; I131-I148 WeakPolarHBondContact CA-O 3.43Å; M132-I148 HydrophobicContact CB-CB 4.11Å; M132-I148 HydrophobicContact CB-CD1 4.49Å; M132-I148 HydrophobicContact CB-CG1 4.48Å; M132-I148 HydrophobicContact CE-CD1 4.36Å; M132-I148 PolarHBondContact N-O 3.16Å; M132-I148 PolarHBondContact O-N 3.42Å; M132-I148 HydrophobicContact SD-CD1 4Å; H146-I148 HydrophobicContact CB-CD1 4.27Å; H146-I148 HydrophobicContact CB-CG1 4.19Å; I148-N155 HydrophobicContact CG2-CB 3.82Å; I148-H156 VanDerWaalsContact CA-O 3.31Å; I148-H156 WeakPolarHBondContact CA-O 3.44Å; I148-H156 WeakPolarHBondContact CG2-O 3.43Å; I148-L157 HydrophobicContact CD1-CD1 4.47Å; I148-L157 HydrophobicContact CD1-CG 3.99Å; I148-L157 HydrophobicContact CG1-CG 4.09Å |
| 149 | F | 98.3 | Very high | 94.5 | Very high | 3 Ų | 3 | 55.1 Ų | 55.1 | 1% | 0.013 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 133.3 | 176.4 | -68 | -76.3 | 0 | 0 | 0 | 109.6 | I131 V147 H156 L175 V177 L197 W201 F203 Y309 | I131-F149 HydrophobicContact CD1-CD1 4.14Å; I131-F149 HydrophobicContact CD1-CE1 3.82Å; I131-F149 HydrophobicContact CG1-CD1 3.8Å; I131-F149 HydrophobicContact CG1-CE1 3.95Å; I131-F149 HydrophobicContact CG2-CD1 4.31Å; I131-F149 HydrophobicContact CG2-CE1 4.1Å; V147-F149 HydrophobicContact CG1-CE2 3.78Å; V147-F149 HydrophobicContact CG1-CZ 4.11Å; F149-H156 PolarHBondContact N-O 3.49Å; F149-H156 VanDerWaalsContact N-O 3.1Å; F149-H156 PolarHBondContact O-N 3.5Å; F149-L175 HydrophobicContact CZ-CD2 4.34Å; F149-V177 HydrophobicContact CE1-CG2 3.94Å; F149-V177 HydrophobicContact CZ-CG2 3.79Å; F149-L197 HydrophobicContact CD2-CD2 4.15Å; F149-L197 HydrophobicContact CE2-CD2 3.57Å; F149-L197 HydrophobicContact CZ-CD2 3.94Å; F149-W201 HydrophobicContact CD2-CD2 4.21Å; F149-W201 AromaticContact CD2-CE2 3.6Å; F149-W201 HydrophobicContact CD2-CH2 4.41Å; F149-W201 AromaticContact CD2-CZ2 3.74Å; F149-W201 HydrophobicContact CD2-CZ2 3.74Å; F149-W201 AromaticContact CD2-NE1 3.68Å; F149-W201 HydrophobicContact CE2-CD2 4.49Å; F149-W201 AromaticContact CE2-CE2 3.81Å; F149-W201 AromaticContact CE2-CH2 3.78Å; F149-W201 HydrophobicContact CE2-CH2 3.78Å; F149-W201 AromaticContact CE2-CZ2 3.43Å; F149-W201 HydrophobicContact CE2-CZ2 3.43Å; F149-W201 VanDerWaalsContact CE2-CZ2 3.43Å; F149-W201 HydrophobicContact CE2-CZ3 4.41Å; F149-F203 HydrophobicContact CB-CE1 3.81Å; F149-F203 HydrophobicContact CB-CZ 3.71Å; F149-F203 AromaticContact CD2-CZ 3.95Å; F149-F203 HydrophobicContact CD2-CZ 3.95Å; F149-F203 HydrophobicContact CG-CZ 4.12Å; F149-Y309 HydrophobicContact CD1-CE2 4.19Å; F149-Y309 WeakPolarHBondContact CD1-OH 3.21Å |
| 150 | N | 97.4 | Very high | 94.7 | Very high | 25 Ų | 25 | 56.6 Ų | 56.6 | 13% | 0.134 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 123.7 | 164.9 | -170.4 | -79.8 | 0 | 0 | 0 | 109.1 | Y129 N130 K154 N155 Y309 | Y129-N150 WeakPolarHBondContact O-CB 3.27Å; N130-N150 WeakPolarHBondContact O-CB 3.44Å; N130-N150 PolarHBondContact O-N 3.45Å; N150-K154 WeakPolarHBondContact CA-O 3.25Å; N150-N155 PolarHBondContact ND2-OD1 2.96Å; N150-Y309 PolarHBondContact N-OH 3.11Å; N150-Y309 WeakPolarHBondContact O-CE1 3.23Å; N150-Y309 PolarHBondContact O-OH 3.35Å |
| 151 | Y | 95.7 | Very high | 95.1 | Very high | 21 Ų | 21 | 56.6 Ų | 56.6 | 8% | 0.082 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 125.4 | 176 | -179 | -106.8 | 0 | 0 | 0 | 108.8 | G153 K154 F203 L204 D303 I306 | Y151-G153 PolarHBondContact O-N 3.15Å; Y151-G153 VanDerWaalsContact O-N 3.15Å; Y151-K154 PolarHBondContact N-O 2.89Å; Y151-K154 PolarHBondContact O-N 3.05Å; Y151-F203 HydrophobicContact CD1-CB 4.05Å; Y151-F203 AromaticContact CD1-CD1 3.95Å; Y151-F203 HydrophobicContact CD1-CD1 3.95Å; Y151-F203 HydrophobicContact CD1-CG 4.4Å; Y151-F203 HydrophobicContact CE1-CB 4.21Å; Y151-F203 AromaticContact CG-CD1 3.86Å; Y151-F203 HydrophobicContact CG-CD1 3.86Å; Y151-F203 HydrophobicContact CG-CE1 4.47Å; Y151-L204 HydrophobicContact CE1-CD2 4.27Å; Y151-D303 PolarHBondContact OH-OD2 3.01Å; Y151-I306 HydrophobicContact CD2-CG2 4.37Å; Y151-I306 HydrophobicContact CE2-CG1 4Å |
| 152 | K | 90.8 | Very high | 95.7 | Very high | 165 Ų | 165 | 53.4 Ų | 53.4 | 72% | 0.717 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.6 | 38.1 | -178.4 | -65.2 | 177 | 173.9 | 156.7 | 0 | 113.7 | K154 | K152-K154 VanDerWaalsContact C-N 3.31Å; K152-K154 PolarHBondContact O-N 2.8Å |
| 153 | G | 90.8 | Very high | 96 | Very high | 68 Ų | 68 | 59.5 Ų | 59.5 | 70% | 0.701 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.1 | 5.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115 | Y151 | Y151-G153 PolarHBondContact O-N 3.15Å; Y151-G153 VanDerWaalsContact O-N 3.15Å |
| 154 | K | 95.3 | Very high | 95.9 | Very high | 137 Ų | 137 | 56.6 Ų | 56.6 | 60% | 0.596 | 28% | 0.281 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 141.3 | 174.3 | -173.5 | 179.4 | 176.5 | -169.4 | 0 | 110.3 | N150 Y151 K152 H156 | N150-K154 WeakPolarHBondContact CA-O 3.25Å; Y151-K154 PolarHBondContact N-O 2.89Å; Y151-K154 PolarHBondContact O-N 3.05Å; K152-K154 VanDerWaalsContact C-N 3.31Å; K152-K154 PolarHBondContact O-N 2.8Å; K154-H156 PolarHBondContact O-CD2 2.95Å; K154-H156 VanDerWaalsContact O-CD2 3.26Å |
| 155 | N | 97 | Very high | 95.9 | Very high | 60 Ų | 60 | 57.2 Ų | 57.2 | 32% | 0.321 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 119.6 | 173.3 | -63.2 | -29.9 | 0 | 0 | 0 | 109.4 | Y129 I148 N150 | Y129-N155 VanDerWaalsContact OH-CG 3.24Å; Y129-N155 PolarHBondContact OH-ND2 3.31Å; Y129-N155 VanDerWaalsContact OH-ND2 3.08Å; I148-N155 HydrophobicContact CG2-CB 3.82Å; N150-N155 PolarHBondContact ND2-OD1 2.96Å |
| 156 | H | 96.9 | Very high | 95.6 | Very high | 19 Ų | 19 | 60.4 Ų | 60.4 | 9% | 0.088 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 122.3 | 178.9 | -66.3 | -99.4 | 0 | 0 | 0 | 109.5 | I148 F149 K154 W201 D202 F203 | I148-H156 VanDerWaalsContact CA-O 3.31Å; I148-H156 WeakPolarHBondContact CA-O 3.44Å; I148-H156 WeakPolarHBondContact CG2-O 3.43Å; F149-H156 PolarHBondContact N-O 3.49Å; F149-H156 VanDerWaalsContact N-O 3.1Å; F149-H156 PolarHBondContact O-N 3.5Å; K154-H156 PolarHBondContact O-CD2 2.95Å; K154-H156 VanDerWaalsContact O-CD2 3.26Å; H156-W201 PolarHBondContact O-NE1 3.4Å; H156-D202 PolarHBondContact CE1-O 2.99Å; H156-D202 PolarHBondContact ND1-O 3.47Å; H156-F203 HydrophobicContact CB-CD1 3.96Å; H156-F203 HydrophobicContact CB-CE1 3.67Å; H156-F203 AromaticContact CD2-CD1 3.81Å; H156-F203 AromaticContact CG-CD1 3.74Å; H156-F203 AromaticContact CG-CE1 3.93Å |
| 157 | L | 96.8 | Very high | 95.5 | Very high | 87 Ų | 87 | 62.2 Ų | 62.2 | 46% | 0.455 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 149 | 176.1 | -71.2 | 75.1 | 0 | 0 | 0 | 109.6 | I148 | I148-L157 HydrophobicContact CD1-CD1 4.47Å; I148-L157 HydrophobicContact CD1-CG 3.99Å; I148-L157 HydrophobicContact CG1-CG 4.09Å |
| 158 | I | 96.8 | Very high | 95.4 | Very high | 23 Ų | 23 | 64.4 Ų | 64.4 | 12% | 0.118 | 32% | 0.321 | C | S | . | . | trans | -63.5 | 136.5 | 171.9 | -167.4 | 174.9 | 0 | 0 | 0 | 110.3 | V147 K160 I162 Y183 W201 | V147-I158 HydrophobicContact CB-CB 4.3Å; V147-I158 HydrophobicContact CB-CD1 4.42Å; V147-I158 HydrophobicContact CB-CG2 4.23Å; V147-I158 HydrophobicContact CG2-CD1 4.43Å; V147-I158 PolarHBondContact O-N 3.22Å; I158-K160 VanDerWaalsContact C-N 3.32Å; I158-K160 HydrophobicContact CD1-CB 4.13Å; I158-K160 HydrophobicContact CG1-CB 4.14Å; I158-I162 HydrophobicContact CD1-CD1 3.73Å; I158-I162 HydrophobicContact CD1-CG1 4.4Å; I158-Y183 HydrophobicContact CD1-CE2 4.02Å; I158-W201 HydrophobicContact CB-CD2 4.39Å; I158-W201 HydrophobicContact CB-CH2 4.2Å; I158-W201 HydrophobicContact CB-CZ2 3.45Å; I158-W201 VanDerWaalsContact CB-CZ2 3.45Å; I158-W201 HydrophobicContact CD1-CH2 3.6Å; I158-W201 HydrophobicContact CD1-CZ2 3.7Å; I158-W201 HydrophobicContact CD1-CZ3 4.37Å; I158-W201 HydrophobicContact CG1-CD2 4.35Å; I158-W201 HydrophobicContact CG1-CH2 3.73Å; I158-W201 HydrophobicContact CG1-CZ2 3.51Å; I158-W201 HydrophobicContact CG1-CZ3 4.25Å | ||
| 159 | N | 95.1 | Very high | 95.4 | Very high | 91 Ų | 91 | 66.3 Ų | 66.3 | 49% | 0.487 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -77.3 | -21.2 | 178.9 | -71.3 | -23.8 | 0 | 0 | 0 | 112.5 | D200 D202 | N159-D200 WeakPolarHBondContact CB-O 3.49Å; N159-D200 PolarHBondContact N-O 3.37Å; N159-D202 PolarHBondContact ND2-OD1 2.88Å |
| 160 | K | 94.9 | Very high | 95.4 | Very high | 62 Ų | 62 | 67 Ų | 67 | 27% | 0.27 | 33% | 0.333 | S | S | . | . | S | Bend | trans | -83.7 | 143.2 | 178 | -66.4 | -176.1 | 171.5 | 161.1 | 0 | 111.9 | I158 E193 S194 D200 | I158-K160 VanDerWaalsContact C-N 3.32Å; I158-K160 HydrophobicContact CD1-CB 4.13Å; I158-K160 HydrophobicContact CG1-CB 4.14Å; K160-E193 HydrophobicContact CD-CG 3.96Å; K160-E193 WeakPolarHBondContact CD-OE1 3.18Å; K160-E193 WeakPolarHBondContact CD-OE2 3.39Å; K160-E193 IonicContact NZ-OE1 3.41Å; K160-E193 PolarHBondContact NZ-OE1 3.19Å; K160-S194 PolarHBondContact NZ-O 2.92Å; K160-D200 VanDerWaalsContact CE-CG 3.43Å; K160-D200 WeakPolarHBondContact CE-OD1 3.31Å; K160-D200 VanDerWaalsContact CE-OD2 3.29Å; K160-D200 WeakPolarHBondContact CE-OD2 3.23Å; K160-D200 IonicContact NZ-OD1 3.42Å; K160-D200 PolarHBondContact NZ-OD1 3.32Å; K160-D200 IonicContact NZ-OD2 3.43Å; K160-D200 PolarHBondContact NZ-OD2 3.41Å |
| 161 | D | 94.4 | Very high | 95.4 | Very high | 133 Ų | 133 | 66.5 Ų | 66.5 | 71% | 0.711 | 33% | 0.329 | S | S | * | . | trans | -91.5 | 103 | 175.1 | -171 | 15.6 | 0 | 0 | 0 | 110.6 | ||||
| 162 | I | 96.1 | Very high | 95.6 | Very high | 7 Ų | 7 | 65.5 Ų | 65.5 | 4% | 0.036 | 33% | 0.326 | C | S | . | . | trans | -97.5 | 108.2 | 177.5 | -55.4 | 175.3 | 0 | 0 | 0 | 108.1 | K144 V145 V147 I158 C164 V185 V192 E193 | K144-I162 CarbonylContact C-O 3.56Å; K144-I162 WeakPolarHBondContact CA-O 3.32Å; V145-I162 HydrophobicContact CB-CB 4.1Å; V145-I162 HydrophobicContact CB-CG2 3.93Å; V145-I162 HydrophobicContact CG2-CG2 3.95Å; V145-I162 PolarHBondContact N-O 3.07Å; V147-I162 HydrophobicContact CG2-CD1 4.13Å; I158-I162 HydrophobicContact CD1-CD1 3.73Å; I158-I162 HydrophobicContact CD1-CG1 4.4Å; I162-C164 PolarHBondContact O-N 3.39Å; I162-V185 HydrophobicContact CD1-CB 4.26Å; I162-V185 HydrophobicContact CD1-CG1 4.43Å; I162-V185 HydrophobicContact CD1-CG2 3.92Å; I162-V192 HydrophobicContact CG2-CG2 4.05Å; I162-E193 HydrophobicContact CD1-CB 3.79Å; I162-E193 HydrophobicContact CD1-CG 3.89Å; I162-E193 HydrophobicContact CG1-CB 4.05Å; I162-E193 HydrophobicContact CG1-CG 4.1Å | ||
| 163 | R | 95.6 | Very high | 96 | Very high | 178 Ų | 178 | 57.7 Ų | 57.7 | 67% | 0.672 | 29% | 0.292 | S | S | * | . | B | Isolated β-bridge | trans | -68.5 | 125.9 | 179.9 | -171.9 | 166.5 | -179.5 | 164.5 | -0 | 111.5 | ||
| 164 | C | 94.3 | Very high | 96.3 | Very high | 4 Ų | 4 | 54.6 Ų | 54.6 | 3% | 0.027 | 26% | 0.259 | C | S | . | . | P | Polyproline II helix | trans | -81.2 | 168.5 | 173 | 69.2 | 0 | 0 | 0 | 0 | 111.8 | P135 I137 K143 V145 I162 | P135-C164 HydrophobicContact CB-CB 3.72Å; I137-C164 VanDerWaalsContact CG1-SG 3.57Å; K143-C164 PolarHBondContact O-N 2.86Å; V145-C164 HydrophobicContact CG2-CB 3.74Å; I162-C164 PolarHBondContact O-N 3.39Å |
| 165 | K | 95.1 | Very high | 96.5 | Very high | 83 Ų | 83 | 48 Ų | 48 | 36% | 0.361 | 23% | 0.231 | S | C | . | . | P | Polyproline II helix | trans | -83 | 137.1 | 171.3 | -59.6 | -70.4 | -171.9 | 176.8 | 0 | 109.8 | H171 Y173 I187 | K165-H171 HydrophobicContact CB-CB 4.37Å; K165-H171 WeakPolarHBondContact CB-CD2 3.5Å; K165-H171 VanDerWaalsContact CB-NE2 3.31Å; K165-H171 WeakPolarHBondContact CB-NE2 3.4Å; K165-H171 HydrophobicContact CG-CB 4.3Å; K165-Y173 PolarHBondContact N-OH 3.06Å; K165-Y173 VanDerWaalsContact N-OH 3.16Å; K165-I187 HydrophobicContact CG-CG2 3.86Å |
| 166 | D | 92.8 | Very high | 96.6 | Very high | 69 Ų | 69 | 45.5 Ų | 45.5 | 37% | 0.369 | 22% | 0.217 | S | C | . | . | trans | -126 | 14.7 | -174.3 | 61.9 | -20 | 0 | 0 | 0 | 113 | I137 K143 | I137-D166 HydrophobicContact CD1-CB 4.2Å; K143-D166 HydrophobicContact CD-CB 4.15Å; K143-D166 WeakPolarHBondContact CD-OD2 3.43Å; K143-D166 WeakPolarHBondContact CE-OD2 3.3Å; K143-D166 IonicContact NZ-OD2 2.72Å; K143-D166 PolarHBondContact NZ-OD2 2.87Å | ||
| 167 | D | 94.9 | Very high | 96.6 | Very high | 61 Ų | 61 | 44.6 Ų | 44.6 | 33% | 0.326 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -87.6 | 179.1 | 169.8 | 71.3 | 51.3 | 0 | 0 | 0 | 111.3 | Y169 H171 | D167-Y169 HydrophobicContact CB-CD2 4.36Å; D167-Y169 VanDerWaalsContact OD1-CB 3.31Å; D167-Y169 WeakPolarHBondContact OD1-CB 3.26Å; D167-Y169 WeakPolarHBondContact OD1-CD2 3.43Å; D167-Y169 PolarHBondContact OD1-N 3.31Å; D167-H171 VanDerWaalsContact CG-NE2 3.27Å; D167-H171 IonicContact OD1-CD2 3.84Å; D167-H171 IonicContact OD1-CE1 3.28Å; D167-H171 IonicContact OD1-NE2 2.72Å; D167-H171 PolarHBondContact OD1-NE2 3.48Å; D167-H171 IonicContact OD2-CE1 2.63Å; D167-H171 IonicContact OD2-NE2 2.75Å; D167-H171 PolarHBondContact OD2-NE2 3.25Å |
| 168 | E | 96.4 | Very high | 96.7 | Very high | 46 Ų | 46 | 42.2 Ų | 42.2 | 22% | 0.215 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -90.9 | -1.6 | -173.9 | -63.3 | 175.7 | 128.1 | 0 | 0 | 113.7 | F57 K99 H100 T103 K359 | F57-E168 HydrophobicContact CZ-CB 4.11Å; F57-E168 WeakPolarHBondContact CZ-O 3.39Å; K99-E168 WeakPolarHBondContact CE-O 3.32Å; K99-E168 WeakPolarHBondContact CG-O 3.08Å; H100-E168 WeakPolarHBondContact O-CA 3.48Å; T103-E168 PolarHBondContact N-OE1 3.03Å; T103-E168 PolarHBondContact OG1-OE1 2.92Å; E168-K359 WeakPolarHBondContact OE2-CE 3.06Å; E168-K359 IonicContact OE2-NZ 3.72Å; E168-K359 PolarHBondContact OE2-NZ 2.88Å |
| 169 | Y | 97.7 | Very high | 96.7 | Very high | 51 Ų | 51 | 43 Ų | 43 | 20% | 0.2 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -81.6 | 166.4 | -177.8 | -60.9 | -69.9 | 0 | 0 | 0 | 112 | F57 D167 H171 E355 R356 K359 | F57-Y169 HydrophobicContact CE2-CD1 4.02Å; F57-Y169 HydrophobicContact CE2-CE1 4.29Å; D167-Y169 HydrophobicContact CB-CD2 4.36Å; D167-Y169 VanDerWaalsContact OD1-CB 3.31Å; D167-Y169 WeakPolarHBondContact OD1-CB 3.26Å; D167-Y169 WeakPolarHBondContact OD1-CD2 3.43Å; D167-Y169 PolarHBondContact OD1-N 3.31Å; Y169-H171 PolarHBondContact O-CD2 3.46Å; Y169-E355 HydrophobicContact CD1-CG 4.31Å; Y169-R356 HydrophobicContact CE1-CB 4.08Å; Y169-R356 HydrophobicContact CE1-CG 4.15Å; Y169-K359 HydrophobicContact CD1-CD 4.3Å; Y169-K359 HydrophobicContact CE1-CB 4.07Å; Y169-K359 HydrophobicContact CE1-CD 3.44Å; Y169-K359 VanDerWaalsContact CE1-CD 3.44Å; Y169-K359 HydrophobicContact CE1-CG 4.39Å |
| 170 | T | 98.2 | Very high | 96.7 | Very high | 16 Ų | 16 | 43.7 Ų | 43.7 | 10% | 0.098 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 129.4 | 173.6 | -57.6 | 0 | 0 | 0 | 0 | 110 | T97 K99 W348 E355 | T97-T170 HydrophobicContact CG2-CG2 4.17Å; K99-T170 WeakPolarHBondContact CD-OG1 3.27Å; T170-W348 VanDerWaalsContact O-CD1 3.25Å; T170-W348 PolarHBondContact O-NE1 2.72Å; T170-E355 PolarHBondContact N-OE2 3.39Å; T170-E355 PolarHBondContact OG1-OE1 3.4Å |
| 171 | H | 98.5 | Very high | 96.7 | Very high | 15 Ų | 15 | 41.3 Ų | 41.3 | 7% | 0.069 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 141.5 | 175.1 | -70 | -66.4 | 0 | 0 | 0 | 112.2 | T97 V98 K165 D167 Y169 Y173 D188 | T97-H171 CarbonylContact C-O 3.48Å; T97-H171 VanDerWaalsContact CA-O 3.25Å; T97-H171 WeakPolarHBondContact CA-O 3.37Å; V98-H171 PolarHBondContact N-O 2.57Å; V98-H171 PolarHBondContact O-N 2.76Å; K165-H171 HydrophobicContact CB-CB 4.37Å; K165-H171 WeakPolarHBondContact CB-CD2 3.5Å; K165-H171 VanDerWaalsContact CB-NE2 3.31Å; K165-H171 WeakPolarHBondContact CB-NE2 3.4Å; K165-H171 HydrophobicContact CG-CB 4.3Å; D167-H171 VanDerWaalsContact CG-NE2 3.27Å; D167-H171 IonicContact OD1-CD2 3.84Å; D167-H171 IonicContact OD1-CE1 3.28Å; D167-H171 IonicContact OD1-NE2 2.72Å; D167-H171 PolarHBondContact OD1-NE2 3.48Å; D167-H171 IonicContact OD2-CE1 2.63Å; D167-H171 IonicContact OD2-NE2 2.75Å; D167-H171 PolarHBondContact OD2-NE2 3.25Å; Y169-H171 PolarHBondContact O-CD2 3.46Å; H171-Y173 HydrophobicContact CB-CD2 4.46Å; H171-Y173 HydrophobicContact CB-CE2 3.75Å; H171-D188 WeakPolarHBondContact CA-OD1 3.43Å; H171-D188 IonicContact CE1-OD2 3.84Å; H171-D188 IonicContact CG-OD1 3.94Å; H171-D188 IonicContact ND1-OD1 2.7Å; H171-D188 PolarHBondContact ND1-OD1 2.93Å; H171-D188 VanDerWaalsContact ND1-OD1 3.15Å; H171-D188 IonicContact ND1-OD2 3.95Å; H171-D188 PolarHBondContact ND1-OD2 2.93Å |
| 172 | L | 98.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 125 | 178.4 | -177.7 | 71.6 | 0 | 0 | 0 | 109.8 | Q95 T97 I187 D188 W348 | Q95-L172 HydrophobicContact CG-CD1 3.53Å; Q95-L172 HydrophobicContact CG-CG 4.17Å; T97-L172 HydrophobicContact CG2-CB 4.27Å; T97-L172 HydrophobicContact CG2-CD1 3.54Å; L172-I187 CarbonylContact O-C 3.53Å; L172-I187 VanDerWaalsContact O-CA 3.27Å; L172-I187 WeakPolarHBondContact O-CA 3.5Å; L172-D188 PolarHBondContact N-OD1 2.83Å; L172-D188 PolarHBondContact O-N 3.22Å; L172-W348 HydrophobicContact CB-CB 4.16Å; L172-W348 HydrophobicContact CB-CD2 4.03Å; L172-W348 HydrophobicContact CB-CE3 4.37Å; L172-W348 HydrophobicContact CB-CG 3.91Å; L172-W348 HydrophobicContact CD2-CE3 4.32Å |
| 173 | Y | 98.8 | Very high | 97 | Very high | 2 Ų | 2 | 36.4 Ų | 36.4 | 1% | 0.008 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 127.3 | 175.3 | -67.9 | -91.4 | 0 | 0 | 0 | 109.8 | Q95 F96 V98 P135 V145 K165 H171 I187 | Q95-Y173 VanDerWaalsContact CA-O 3.28Å; Q95-Y173 WeakPolarHBondContact CA-O 3.5Å; F96-Y173 PolarHBondContact N-O 2.97Å; F96-Y173 VanDerWaalsContact N-O 3.09Å; F96-Y173 PolarHBondContact O-N 3.33Å; V98-Y173 HydrophobicContact CB-CD2 4.47Å; V98-Y173 HydrophobicContact CB-CE2 4.29Å; V98-Y173 HydrophobicContact CG2-CD2 4.21Å; V98-Y173 HydrophobicContact CG2-CE2 4.44Å; P135-Y173 HydrophobicContact CB-CE1 4.18Å; P135-Y173 HydrophobicContact CB-CE2 4.32Å; P135-Y173 HydrophobicContact CG-CD2 4.23Å; P135-Y173 HydrophobicContact CG-CE1 4.24Å; P135-Y173 HydrophobicContact CG-CE2 3.69Å; V145-Y173 HydrophobicContact CG2-CD1 4.16Å; V145-Y173 HydrophobicContact CG2-CE1 3.73Å; K165-Y173 PolarHBondContact N-OH 3.06Å; K165-Y173 VanDerWaalsContact N-OH 3.16Å; H171-Y173 HydrophobicContact CB-CD2 4.46Å; H171-Y173 HydrophobicContact CB-CE2 3.75Å; Y173-I187 HydrophobicContact CD1-CD1 4.34Å; Y173-I187 HydrophobicContact CD1-CG1 3.92Å; Y173-I187 HydrophobicContact CE1-CD1 3.89Å; Y173-I187 HydrophobicContact CE1-CG1 3.91Å; Y173-I187 HydrophobicContact CE1-CG2 4.34Å |
| 174 | T | 98.8 | Very high | 97.1 | Very high | 2 Ų | 2 | 30.1 Ų | 30.1 | 1% | 0.012 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 126.9 | 179.5 | -46.1 | 0 | 0 | 0 | 0 | 110.3 | V93 I94 Q95 I176 V185 K186 | V93-T174 HydrophobicContact CG1-CG2 3.91Å; I94-T174 CarbonylContact O-C 3.59Å; I94-T174 VanDerWaalsContact O-CA 3.31Å; I94-T174 WeakPolarHBondContact O-CA 3.49Å; Q95-T174 HydrophobicContact CB-CG2 4.12Å; Q95-T174 HydrophobicContact CG-CG2 4.42Å; Q95-T174 WeakPolarHBondContact CG-OG1 3.41Å; Q95-T174 PolarHBondContact OE1-OG1 3.44Å; T174-I176 HydrophobicContact CG2-CG1 4.22Å; T174-V185 WeakPolarHBondContact O-CA 3.4Å; T174-K186 PolarHBondContact N-O 3.38Å; T174-K186 PolarHBondContact O-N 2.68Å |
| 175 | L | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 128.9 | 170 | 174.4 | 64.1 | 0 | 0 | 0 | 108.8 | V93 I94 I131 F133 V147 F149 V177 Y183 V185 | V93-L175 WeakPolarHBondContact CA-O 3.11Å; I94-L175 HydrophobicContact CB-CB 4.48Å; I94-L175 HydrophobicContact CD1-CD2 4.24Å; I94-L175 PolarHBondContact N-O 2.84Å; I94-L175 PolarHBondContact O-N 2.93Å; I131-L175 HydrophobicContact CG2-CD2 4.04Å; F133-L175 HydrophobicContact CB-CD2 3.98Å; F133-L175 HydrophobicContact CD1-CB 3.59Å; F133-L175 HydrophobicContact CD1-CD2 4.39Å; F133-L175 HydrophobicContact CD2-CB 3.92Å; F133-L175 HydrophobicContact CD2-CD2 4.05Å; F133-L175 HydrophobicContact CD2-CG 4.46Å; F133-L175 HydrophobicContact CE1-CB 3.54Å; F133-L175 HydrophobicContact CE2-CB 3.85Å; F133-L175 HydrophobicContact CG-CB 3.8Å; F133-L175 HydrophobicContact CG-CD2 3.87Å; F133-L175 HydrophobicContact CG-CG 4.45Å; F133-L175 HydrophobicContact CZ-CB 3.68Å; V147-L175 HydrophobicContact CG1-CD1 3.93Å; V147-L175 HydrophobicContact CG1-CD2 3.99Å; F149-L175 HydrophobicContact CZ-CD2 4.34Å; L175-V177 HydrophobicContact CD1-CG2 4.2Å; L175-V177 HydrophobicContact CD2-CG2 4.23Å; L175-V177 HydrophobicContact CG-CG2 3.97Å; L175-Y183 HydrophobicContact CD1-CD2 4.47Å; L175-V185 HydrophobicContact CD1-CG2 3.94Å |
| 176 | I | 98.6 | Very high | 97.5 | Very high | 6 Ų | 6 | 27 Ų | 27 | 3% | 0.031 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 127.5 | 174.7 | -58.6 | 159 | 0 | 0 | 0 | 107.3 | L92 V93 T174 Y183 E184 K186 P337 | L92-I176 CarbonylContact O-C 3.6Å; L92-I176 WeakPolarHBondContact O-CA 3.35Å; V93-I176 HydrophobicContact CG1-CG1 4.05Å; V93-I176 HydrophobicContact CG2-CG1 4.27Å; V93-I176 HydrophobicContact CG2-CG2 4.39Å; T174-I176 HydrophobicContact CG2-CG1 4.22Å; I176-Y183 CarbonylContact O-C 3.56Å; I176-Y183 WeakPolarHBondContact O-CA 3.16Å; I176-Y183 WeakPolarHBondContact O-CB 3.29Å; I176-E184 HydrophobicContact CB-CB 4.26Å; I176-E184 HydrophobicContact CD1-CB 4.4Å; I176-E184 PolarHBondContact N-O 2.8Å; I176-E184 PolarHBondContact O-N 2.98Å; I176-K186 HydrophobicContact CD1-CD 4.4Å; I176-P337 HydrophobicContact CD1-CB 3.94Å; I176-P337 HydrophobicContact CD1-CG 4.38Å; I176-P337 HydrophobicContact CG1-CB 4.46Å; I176-P337 HydrophobicContact CG2-CG 3.93Å |
| 177 | V | 98.3 | Very high | 97.8 | Very high | 1 Ų | 1 | 24 Ų | 24 | 1% | 0.006 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 120.7 | 176.4 | -170.9 | 0 | 0 | 0 | 0 | 108.3 | P91 L92 F149 L175 L197 | P91-V177 CarbonylContact C-O 3.53Å; P91-V177 VanDerWaalsContact CA-O 3.28Å; P91-V177 WeakPolarHBondContact CA-O 3.48Å; L92-V177 HydrophobicContact CB-CB 4.45Å; L92-V177 PolarHBondContact N-O 2.84Å; L92-V177 PolarHBondContact O-N 3.27Å; F149-V177 HydrophobicContact CE1-CG2 3.94Å; F149-V177 HydrophobicContact CZ-CG2 3.79Å; L175-V177 HydrophobicContact CD1-CG2 4.2Å; L175-V177 HydrophobicContact CD2-CG2 4.23Å; L175-V177 HydrophobicContact CG-CG2 3.97Å; V177-L197 HydrophobicContact CG1-CD1 4.08Å |
| 178 | N | 97.5 | Very high | 97.9 | Very high | 36 Ų | 36 | 22.2 Ų | 22.2 | 19% | 0.193 | 11% | 0.114 | C | C | . | . | trans | -101.5 | 157.9 | -172.7 | -65.4 | -51.2 | 0 | 0 | 0 | 112.3 | D180 N181 T182 | N178-D180 WeakPolarHBondContact CB-OD1 3.49Å; N178-D180 PolarHBondContact O-N 3.05Å; N178-D180 VanDerWaalsContact O-N 3.13Å; N178-N181 PolarHBondContact O-N 3.5Å; N178-T182 WeakPolarHBondContact CB-OG1 3.28Å; N178-T182 PolarHBondContact N-O 3.21Å; N178-T182 PolarHBondContact ND2-OG1 3.22Å | ||
| 179 | P | 96.4 | Very high | 97.9 | Very high | 41 Ų | 41 | 21 Ų | 21 | 27% | 0.266 | 11% | 0.11 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66 | -10.7 | 178.5 | -23.9 | 36 | 0 | 0 | 0 | 116.3 | Q90 N181 Y307 | Q90-P179 VanDerWaalsContact C-CG 3.42Å; P179-N181 VanDerWaalsContact C-N 3.29Å; P179-Y307 VanDerWaalsContact CA-CZ 3.47Å; P179-Y307 HydrophobicContact CB-CE1 4.25Å; P179-Y307 HydrophobicContact CB-CE2 3.92Å; P179-Y307 HydrophobicContact CG-CE2 4.3Å; P179-Y307 WeakPolarHBondContact O-CE1 3.49Å |
| 180 | D | 95.4 | Very high | 97.9 | Very high | 105 Ų | 105 | 25.9 Ų | 25.9 | 56% | 0.561 | 13% | 0.132 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.9 | 18.9 | 178.3 | 62.9 | -4.7 | 0 | 0 | 0 | 112.5 | N178 T182 | N178-D180 WeakPolarHBondContact CB-OD1 3.49Å; N178-D180 PolarHBondContact O-N 3.05Å; N178-D180 VanDerWaalsContact O-N 3.13Å; D180-T182 PolarHBondContact O-N 2.98Å; D180-T182 WeakPolarHBondContact OD1-CB 3.29Å; D180-T182 WeakPolarHBondContact OD1-CG2 3.21Å; D180-T182 PolarHBondContact OD1-N 2.92Å; D180-T182 VanDerWaalsContact OD1-N 3.13Å; D180-T182 PolarHBondContact OD1-OG1 3.46Å |
| 181 | N | 96.1 | Very high | 97.9 | Very high | 11 Ų | 11 | 31.1 Ų | 31.1 | 6% | 0.059 | 15% | 0.153 | C | C | . | . | S | Bend | trans | 60.3 | 22 | -173.6 | -73.2 | -26.1 | 0 | 0 | 0 | 113.8 | N178 P179 N196 L197 D303 I306 Y307 | N178-N181 PolarHBondContact O-N 3.5Å; P179-N181 VanDerWaalsContact C-N 3.29Å; N181-N196 CarbonylContact O-C 3.55Å; N181-N196 WeakPolarHBondContact O-CA 3.26Å; N181-L197 HydrophobicContact CB-CB 4.39Å; N181-L197 HydrophobicContact CB-CD1 4.44Å; N181-L197 WeakPolarHBondContact O-CB 3.29Å; N181-L197 WeakPolarHBondContact O-CG 3.41Å; N181-L197 PolarHBondContact O-N 3.25Å; N181-D303 PolarHBondContact ND2-O 2.76Å; N181-I306 PolarHBondContact OD1-N 3.46Å; N181-Y307 WeakPolarHBondContact OD1-CD1 3.34Å; N181-Y307 PolarHBondContact OD1-N 2.76Å |
| 182 | T | 97.8 | Very high | 97.8 | Very high | 33 Ų | 33 | 33.7 Ų | 33.7 | 20% | 0.202 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 155 | 169.5 | 67.8 | 0 | 0 | 0 | 0 | 111.5 | N178 D180 G195 | N178-T182 WeakPolarHBondContact CB-OG1 3.28Å; N178-T182 PolarHBondContact N-O 3.21Å; N178-T182 PolarHBondContact ND2-OG1 3.22Å; D180-T182 PolarHBondContact O-N 2.98Å; D180-T182 WeakPolarHBondContact OD1-CB 3.29Å; D180-T182 WeakPolarHBondContact OD1-CG2 3.21Å; D180-T182 PolarHBondContact OD1-N 2.92Å; D180-T182 VanDerWaalsContact OD1-N 3.13Å; D180-T182 PolarHBondContact OD1-OG1 3.46Å; T182-G195 VanDerWaalsContact CA-O 3.28Å; T182-G195 WeakPolarHBondContact CA-O 3.2Å |
| 183 | Y | 98.3 | Very high | 97.8 | Very high | 4 Ų | 4 | 35.9 Ų | 35.9 | 2% | 0.016 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 158.3 | 173 | 78.9 | -73 | 0 | 0 | 0 | 111.1 | I158 L175 I176 V185 E193 S194 G195 L197 D200 W201 | I158-Y183 HydrophobicContact CD1-CE2 4.02Å; L175-Y183 HydrophobicContact CD1-CD2 4.47Å; I176-Y183 CarbonylContact O-C 3.56Å; I176-Y183 WeakPolarHBondContact O-CA 3.16Å; I176-Y183 WeakPolarHBondContact O-CB 3.29Å; Y183-V185 HydrophobicContact CD2-CG2 4.07Å; Y183-V185 HydrophobicContact CE2-CG2 4.09Å; Y183-E193 HydrophobicContact CE2-CG 4.18Å; Y183-S194 VanDerWaalsContact O-CA 3.31Å; Y183-S194 WeakPolarHBondContact O-CA 3.31Å; Y183-G195 WeakPolarHBondContact CD1-O 3.41Å; Y183-G195 VanDerWaalsContact CE1-C 3.47Å; Y183-G195 PolarHBondContact N-O 2.92Å; Y183-G195 PolarHBondContact O-N 2.73Å; Y183-G195 VanDerWaalsContact O-N 3.11Å; Y183-L197 HydrophobicContact CD1-CD2 4.17Å; Y183-L197 HydrophobicContact CG-CD2 4.32Å; Y183-D200 HydrophobicContact CE1-CB 4.02Å; Y183-D200 WeakPolarHBondContact CE1-OD2 3.32Å; Y183-D200 VanDerWaalsContact CZ-OD2 3.28Å; Y183-D200 PolarHBondContact OH-OD2 3.16Å; Y183-W201 AromaticContact CD1-CH2 3.89Å; Y183-W201 HydrophobicContact CD1-CH2 3.89Å; Y183-W201 AromaticContact CD1-CZ3 3.53Å; Y183-W201 HydrophobicContact CD1-CZ3 3.53Å; Y183-W201 AromaticContact CD2-CH2 3.78Å; Y183-W201 HydrophobicContact CD2-CH2 3.78Å; Y183-W201 HydrophobicContact CD2-CZ3 4.28Å; Y183-W201 HydrophobicContact CE1-CE3 4.48Å; Y183-W201 AromaticContact CE1-CH2 3.76Å; Y183-W201 HydrophobicContact CE1-CH2 3.76Å; Y183-W201 AromaticContact CE1-CZ3 3.31Å; Y183-W201 HydrophobicContact CE1-CZ3 3.31Å; Y183-W201 AromaticContact CE2-CH2 3.61Å; Y183-W201 HydrophobicContact CE2-CH2 3.61Å; Y183-W201 HydrophobicContact CE2-CZ3 4.08Å; Y183-W201 AromaticContact CG-CH2 3.91Å; Y183-W201 HydrophobicContact CG-CH2 3.91Å; Y183-W201 HydrophobicContact CG-CZ3 4.03Å; Y183-W201 AromaticContact CZ-CH2 3.59Å; Y183-W201 AromaticContact CZ-CZ3 3.59Å |
| 184 | E | 98.3 | Very high | 97.7 | Very high | 46 Ų | 46 | 38 Ų | 38 | 22% | 0.215 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 135.5 | 173.3 | -175.2 | 176.3 | 152.9 | 0 | 0 | 109.9 | I176 K186 K191 E193 | I176-E184 HydrophobicContact CB-CB 4.26Å; I176-E184 HydrophobicContact CD1-CB 4.4Å; I176-E184 PolarHBondContact N-O 2.8Å; I176-E184 PolarHBondContact O-N 2.98Å; E184-K186 HydrophobicContact CG-CG 4.33Å; E184-K186 WeakPolarHBondContact OE1-CE 3.48Å; E184-K186 IonicContact OE1-NZ 2.67Å; E184-K191 VanDerWaalsContact CD-CD 3.45Å; E184-K191 HydrophobicContact CG-CD 3.77Å; E184-K191 HydrophobicContact CG-CG 3.76Å; E184-K191 WeakPolarHBondContact OE1-CB 3.5Å; E184-K191 WeakPolarHBondContact OE1-CD 3.42Å; E184-K191 WeakPolarHBondContact OE1-CG 3.18Å; E184-E193 WeakPolarHBondContact CA-O 3.5Å |
| 185 | V | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 126.7 | 171.2 | -176.8 | 0 | 0 | 0 | 0 | 108.4 | F133 V147 I162 T174 L175 Y183 V192 E193 | F133-V185 HydrophobicContact CE2-CG1 3.99Å; F133-V185 HydrophobicContact CZ-CG1 4.22Å; V147-V185 HydrophobicContact CG2-CG2 4.03Å; I162-V185 HydrophobicContact CD1-CB 4.26Å; I162-V185 HydrophobicContact CD1-CG1 4.43Å; I162-V185 HydrophobicContact CD1-CG2 3.92Å; T174-V185 WeakPolarHBondContact O-CA 3.4Å; L175-V185 HydrophobicContact CD1-CG2 3.94Å; Y183-V185 HydrophobicContact CD2-CG2 4.07Å; Y183-V185 HydrophobicContact CE2-CG2 4.09Å; V185-V192 HydrophobicContact CB-CG2 4.16Å; V185-V192 HydrophobicContact CG1-CG2 3.88Å; V185-V192 VanDerWaalsContact O-CG2 3.26Å; V185-V192 WeakPolarHBondContact O-CG2 3.31Å; V185-V192 PolarHBondContact O-N 2.94Å; V185-E193 HydrophobicContact CB-CB 4.28Å; V185-E193 PolarHBondContact N-O 2.99Å; V185-E193 PolarHBondContact O-N 3.2Å |
| 186 | K | 98.6 | Very high | 97.5 | Very high | 22 Ų | 22 | 42 Ų | 42 | 10% | 0.096 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 142.6 | 171.7 | -53.2 | -179.6 | 175.6 | 179.3 | 0 | 110.1 | T174 I176 E184 K190 E341 | T174-K186 PolarHBondContact N-O 3.38Å; T174-K186 PolarHBondContact O-N 2.68Å; I176-K186 HydrophobicContact CD1-CD 4.4Å; E184-K186 HydrophobicContact CG-CG 4.33Å; E184-K186 WeakPolarHBondContact OE1-CE 3.48Å; E184-K186 IonicContact OE1-NZ 2.67Å; K186-K190 CarbonylContact C-O 3.53Å; K186-K190 WeakPolarHBondContact CA-O 3.43Å; K186-K190 WeakPolarHBondContact CB-O 3.37Å; K186-E341 IonicContact NZ-OE2 3.73Å |
| 187 | I | 98.4 | Very high | 97.3 | Very high | 6 Ų | 6 | 41.8 Ų | 41.8 | 3% | 0.031 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 130 | 167 | -59.1 | 175.2 | 0 | 0 | 0 | 106.5 | V145 K165 L172 Y173 N189 K190 V192 | V145-I187 HydrophobicContact CG2-CD1 4.1Å; K165-I187 HydrophobicContact CG-CG2 3.86Å; L172-I187 CarbonylContact O-C 3.53Å; L172-I187 VanDerWaalsContact O-CA 3.27Å; L172-I187 WeakPolarHBondContact O-CA 3.5Å; Y173-I187 HydrophobicContact CD1-CD1 4.34Å; Y173-I187 HydrophobicContact CD1-CG1 3.92Å; Y173-I187 HydrophobicContact CE1-CD1 3.89Å; Y173-I187 HydrophobicContact CE1-CG1 3.91Å; Y173-I187 HydrophobicContact CE1-CG2 4.34Å; I187-N189 VanDerWaalsContact C-N 3.29Å; I187-N189 PolarHBondContact O-N 3.09Å; I187-K190 PolarHBondContact N-O 3.03Å; I187-K190 WeakPolarHBondContact O-CB 3.45Å; I187-K190 PolarHBondContact O-N 2.91Å; I187-K190 VanDerWaalsContact O-O 3.13Å; I187-V192 HydrophobicContact CB-CG1 3.94Å; I187-V192 HydrophobicContact CB-CG2 4.49Å; I187-V192 HydrophobicContact CD1-CG1 4.14Å; I187-V192 HydrophobicContact CD1-CG2 3.92Å; I187-V192 HydrophobicContact CG1-CG1 4.07Å; I187-V192 HydrophobicContact CG1-CG2 3.79Å |
| 188 | D | 97.9 | Very high | 97 | Very high | 23 Ų | 23 | 44.2 Ų | 44.2 | 12% | 0.123 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.6 | 41 | 178.6 | -63.1 | -17.9 | 0 | 0 | 0 | 112.5 | H171 L172 K190 W348 | H171-D188 WeakPolarHBondContact CA-OD1 3.43Å; H171-D188 IonicContact CE1-OD2 3.84Å; H171-D188 IonicContact CG-OD1 3.94Å; H171-D188 IonicContact ND1-OD1 2.7Å; H171-D188 PolarHBondContact ND1-OD1 2.93Å; H171-D188 VanDerWaalsContact ND1-OD1 3.15Å; H171-D188 IonicContact ND1-OD2 3.95Å; H171-D188 PolarHBondContact ND1-OD2 2.93Å; L172-D188 PolarHBondContact N-OD1 2.83Å; L172-D188 PolarHBondContact O-N 3.22Å; D188-K190 PolarHBondContact O-N 3.17Å; D188-K190 VanDerWaalsContact O-N 3.08Å; D188-W348 HydrophobicContact CB-CH2 3.43Å; D188-W348 VanDerWaalsContact CB-CH2 3.43Å; D188-W348 HydrophobicContact CB-CZ2 3.45Å; D188-W348 VanDerWaalsContact CB-CZ2 3.45Å; D188-W348 HydrophobicContact CB-CZ3 4.19Å; D188-W348 VanDerWaalsContact CG-CZ2 3.47Å |
| 189 | N | 96.9 | Very high | 96.8 | Very high | 22 Ų | 22 | 46.9 Ų | 46.9 | 12% | 0.118 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.3 | 12.4 | -172.4 | -91.4 | -19.5 | 0 | 0 | 0 | 115.2 | I187 E341 N345 | I187-N189 VanDerWaalsContact C-N 3.29Å; I187-N189 PolarHBondContact O-N 3.09Å; N189-E341 PolarHBondContact ND2-O 3.18Å; N189-E341 VanDerWaalsContact ND2-O 3.13Å; N189-N345 PolarHBondContact ND2-N 3.26Å; N189-N345 PolarHBondContact ND2-OD1 3.4Å |
| 190 | K | 97.3 | Very high | 96.8 | Very high | 153 Ų | 153 | 45.9 Ų | 45.9 | 67% | 0.665 | 24% | 0.238 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -106 | 131.3 | 175 | -64.7 | 175.4 | -176.8 | 173.8 | 0 | 110 | K186 I187 D188 V192 | K186-K190 CarbonylContact C-O 3.53Å; K186-K190 WeakPolarHBondContact CA-O 3.43Å; K186-K190 WeakPolarHBondContact CB-O 3.37Å; I187-K190 PolarHBondContact N-O 3.03Å; I187-K190 WeakPolarHBondContact O-CB 3.45Å; I187-K190 PolarHBondContact O-N 2.91Å; I187-K190 VanDerWaalsContact O-O 3.13Å; D188-K190 PolarHBondContact O-N 3.17Å; D188-K190 VanDerWaalsContact O-N 3.08Å; K190-V192 PolarHBondContact O-N 2.84Å |
| 191 | K | 97.9 | Very high | 96.8 | Very high | 125 Ų | 125 | 41 Ų | 41 | 54% | 0.543 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.8 | 120 | 172.8 | -173.8 | 173.1 | 74.4 | 166.2 | 0 | 110.3 | E184 | E184-K191 VanDerWaalsContact CD-CD 3.45Å; E184-K191 HydrophobicContact CG-CD 3.77Å; E184-K191 HydrophobicContact CG-CG 3.76Å; E184-K191 WeakPolarHBondContact OE1-CB 3.5Å; E184-K191 WeakPolarHBondContact OE1-CD 3.42Å; E184-K191 WeakPolarHBondContact OE1-CG 3.18Å |
| 192 | V | 97.4 | Very high | 96.7 | Very high | 70 Ų | 70 | 45.8 Ų | 45.8 | 42% | 0.424 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | -30.9 | 176 | -64.9 | 0 | 0 | 0 | 0 | 112 | I162 V185 I187 K190 | I162-V192 HydrophobicContact CG2-CG2 4.05Å; V185-V192 HydrophobicContact CB-CG2 4.16Å; V185-V192 HydrophobicContact CG1-CG2 3.88Å; V185-V192 VanDerWaalsContact O-CG2 3.26Å; V185-V192 WeakPolarHBondContact O-CG2 3.31Å; V185-V192 PolarHBondContact O-N 2.94Å; I187-V192 HydrophobicContact CB-CG1 3.94Å; I187-V192 HydrophobicContact CB-CG2 4.49Å; I187-V192 HydrophobicContact CD1-CG1 4.14Å; I187-V192 HydrophobicContact CD1-CG2 3.92Å; I187-V192 HydrophobicContact CG1-CG1 4.07Å; I187-V192 HydrophobicContact CG1-CG2 3.79Å; K190-V192 PolarHBondContact O-N 2.84Å |
| 193 | E | 97.5 | Very high | 96.4 | Very high | 45 Ų | 45 | 44.9 Ų | 44.9 | 21% | 0.21 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 148.9 | -179.9 | -172.3 | 52.4 | -106 | 0 | 0 | 111.1 | K160 I162 Y183 E184 V185 | K160-E193 HydrophobicContact CD-CG 3.96Å; K160-E193 WeakPolarHBondContact CD-OE1 3.18Å; K160-E193 WeakPolarHBondContact CD-OE2 3.39Å; K160-E193 IonicContact NZ-OE1 3.41Å; K160-E193 PolarHBondContact NZ-OE1 3.19Å; I162-E193 HydrophobicContact CD1-CB 3.79Å; I162-E193 HydrophobicContact CD1-CG 3.89Å; I162-E193 HydrophobicContact CG1-CB 4.05Å; I162-E193 HydrophobicContact CG1-CG 4.1Å; Y183-E193 HydrophobicContact CE2-CG 4.18Å; E184-E193 WeakPolarHBondContact CA-O 3.5Å; V185-E193 HydrophobicContact CB-CB 4.28Å; V185-E193 PolarHBondContact N-O 2.99Å; V185-E193 PolarHBondContact O-N 3.2Å |
| 194 | S | 97.4 | Very high | 96.1 | Very high | 46 Ų | 46 | 46.3 Ų | 46.3 | 32% | 0.322 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -160 | 146.8 | 174 | 56.9 | 0 | 0 | 0 | 0 | 111.4 | K160 Y183 | K160-S194 PolarHBondContact NZ-O 2.92Å; Y183-S194 VanDerWaalsContact O-CA 3.31Å; Y183-S194 WeakPolarHBondContact O-CA 3.31Å |
| 195 | G | 96.6 | Very high | 95.6 | Very high | 20 Ų | 20 | 46.9 Ų | 46.9 | 21% | 0.206 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -179.5 | -158.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | T182 Y183 | T182-G195 VanDerWaalsContact CA-O 3.28Å; T182-G195 WeakPolarHBondContact CA-O 3.2Å; Y183-G195 WeakPolarHBondContact CD1-O 3.41Å; Y183-G195 VanDerWaalsContact CE1-C 3.47Å; Y183-G195 PolarHBondContact N-O 2.92Å; Y183-G195 PolarHBondContact O-N 2.73Å; Y183-G195 VanDerWaalsContact O-N 3.11Å |
| 196 | N | 95.6 | Very high | 95.1 | Very high | 68 Ų | 68 | 50.8 Ų | 50.8 | 36% | 0.364 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 143.1 | 174 | -58.7 | -60.6 | 0 | 0 | 0 | 110.1 | N181 E198 D199 D200 | N181-N196 CarbonylContact O-C 3.55Å; N181-N196 WeakPolarHBondContact O-CA 3.26Å; N196-E198 VanDerWaalsContact C-N 3.31Å; N196-E198 PolarHBondContact O-N 3.04Å; N196-D199 HydrophobicContact CB-CB 4.36Å; N196-D199 PolarHBondContact ND2-OD2 2.96Å; N196-D199 PolarHBondContact O-N 3.13Å; N196-D200 PolarHBondContact O-N 2.9Å; N196-D200 VanDerWaalsContact O-N 3.15Å |
| 197 | L | 95.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -59.4 | -40.3 | 174.7 | -67.8 | 179.6 | 0 | 0 | 0 | 111.8 | F149 V177 N181 Y183 D199 W201 F203 I306 | F149-L197 HydrophobicContact CD2-CD2 4.15Å; F149-L197 HydrophobicContact CE2-CD2 3.57Å; F149-L197 HydrophobicContact CZ-CD2 3.94Å; V177-L197 HydrophobicContact CG1-CD1 4.08Å; N181-L197 HydrophobicContact CB-CB 4.39Å; N181-L197 HydrophobicContact CB-CD1 4.44Å; N181-L197 WeakPolarHBondContact O-CB 3.29Å; N181-L197 WeakPolarHBondContact O-CG 3.41Å; N181-L197 PolarHBondContact O-N 3.25Å; Y183-L197 HydrophobicContact CD1-CD2 4.17Å; Y183-L197 HydrophobicContact CG-CD2 4.32Å; L197-D199 VanDerWaalsContact C-N 3.32Å; L197-D199 PolarHBondContact O-N 3.22Å; L197-W201 HydrophobicContact CD2-CE3 4.06Å; L197-W201 HydrophobicContact CD2-CH2 4.22Å; L197-W201 HydrophobicContact CD2-CZ3 3.76Å; L197-W201 PolarHBondContact O-N 2.9Å; L197-F203 HydrophobicContact CB-CD2 4.46Å; L197-F203 HydrophobicContact CB-CE2 3.86Å; L197-F203 VanDerWaalsContact O-CD2 3.23Å; L197-F203 WeakPolarHBondContact O-CD2 3.34Å; L197-F203 WeakPolarHBondContact O-CE2 3.44Å; L197-I306 HydrophobicContact CB-CG2 4.25Å; L197-I306 HydrophobicContact CD1-CG2 4.17Å |
| 198 | E | 92.4 | Very high | 94.1 | Very high | 52 Ų | 52 | 59.8 Ų | 59.8 | 24% | 0.243 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -65.8 | -29.5 | 179.6 | -73.9 | -171.9 | -157.7 | 0 | 0 | 114.5 | N196 L204 K207 Y300 I306 | N196-E198 VanDerWaalsContact C-N 3.31Å; N196-E198 PolarHBondContact O-N 3.04Å; E198-L204 HydrophobicContact CG-CD1 4.33Å; E198-K207 IonicContact OE2-NZ 3.38Å; E198-K207 PolarHBondContact OE2-NZ 2.89Å; E198-Y300 PolarHBondContact OE2-OH 2.76Å; E198-I306 HydrophobicContact CG-CD1 3.65Å |
| 199 | D | 92.6 | Very high | 93.8 | Very high | 93 Ų | 93 | 61.2 Ų | 61.2 | 50% | 0.497 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -93.4 | -34.4 | -172.7 | -61.2 | -35.5 | 0 | 0 | 0 | 111.3 | N196 L197 K207 | N196-D199 HydrophobicContact CB-CB 4.36Å; N196-D199 PolarHBondContact ND2-OD2 2.96Å; N196-D199 PolarHBondContact O-N 3.13Å; L197-D199 VanDerWaalsContact C-N 3.32Å; L197-D199 PolarHBondContact O-N 3.22Å; D199-K207 IonicContact OD1-NZ 2.68Å |
| 200 | D | 96.1 | Very high | 93.4 | Very high | 20 Ų | 20 | 66.7 Ų | 66.7 | 11% | 0.107 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -96.3 | -1.8 | -172.9 | -67.2 | -21.3 | 0 | 0 | 0 | 113.5 | N159 K160 Y183 N196 | N159-D200 WeakPolarHBondContact CB-O 3.49Å; N159-D200 PolarHBondContact N-O 3.37Å; K160-D200 VanDerWaalsContact CE-CG 3.43Å; K160-D200 WeakPolarHBondContact CE-OD1 3.31Å; K160-D200 VanDerWaalsContact CE-OD2 3.29Å; K160-D200 WeakPolarHBondContact CE-OD2 3.23Å; K160-D200 IonicContact NZ-OD1 3.42Å; K160-D200 PolarHBondContact NZ-OD1 3.32Å; K160-D200 IonicContact NZ-OD2 3.43Å; K160-D200 PolarHBondContact NZ-OD2 3.41Å; Y183-D200 HydrophobicContact CE1-CB 4.02Å; Y183-D200 WeakPolarHBondContact CE1-OD2 3.32Å; Y183-D200 VanDerWaalsContact CZ-OD2 3.28Å; Y183-D200 PolarHBondContact OH-OD2 3.16Å; N196-D200 PolarHBondContact O-N 2.9Å; N196-D200 VanDerWaalsContact O-N 3.15Å |
| 201 | W | 96.4 | Very high | 93 | Very high | 2 Ų | 2 | 61.1 Ų | 61.1 | 1% | 0.008 | 32% | 0.318 | C | S | . | . | S | Bend | trans | -138.1 | 149.4 | 172.6 | -73.9 | -102.7 | 0 | 0 | 0 | 111.6 | V147 F149 H156 I158 Y183 L197 F203 | V147-W201 HydrophobicContact CB-CZ2 3.84Å; V147-W201 HydrophobicContact CG1-CH2 4.15Å; V147-W201 HydrophobicContact CG1-CZ2 3.59Å; V147-W201 PolarHBondContact O-NE1 2.89Å; F149-W201 HydrophobicContact CD2-CD2 4.21Å; F149-W201 AromaticContact CD2-CE2 3.6Å; F149-W201 HydrophobicContact CD2-CH2 4.41Å; F149-W201 AromaticContact CD2-CZ2 3.74Å; F149-W201 HydrophobicContact CD2-CZ2 3.74Å; F149-W201 AromaticContact CD2-NE1 3.68Å; F149-W201 HydrophobicContact CE2-CD2 4.49Å; F149-W201 AromaticContact CE2-CE2 3.81Å; F149-W201 AromaticContact CE2-CH2 3.78Å; F149-W201 HydrophobicContact CE2-CH2 3.78Å; F149-W201 AromaticContact CE2-CZ2 3.43Å; F149-W201 HydrophobicContact CE2-CZ2 3.43Å; F149-W201 VanDerWaalsContact CE2-CZ2 3.43Å; F149-W201 HydrophobicContact CE2-CZ3 4.41Å; H156-W201 PolarHBondContact O-NE1 3.4Å; I158-W201 HydrophobicContact CB-CD2 4.39Å; I158-W201 HydrophobicContact CB-CH2 4.2Å; I158-W201 HydrophobicContact CB-CZ2 3.45Å; I158-W201 VanDerWaalsContact CB-CZ2 3.45Å; I158-W201 HydrophobicContact CD1-CH2 3.6Å; I158-W201 HydrophobicContact CD1-CZ2 3.7Å; I158-W201 HydrophobicContact CD1-CZ3 4.37Å; I158-W201 HydrophobicContact CG1-CD2 4.35Å; I158-W201 HydrophobicContact CG1-CH2 3.73Å; I158-W201 HydrophobicContact CG1-CZ2 3.51Å; I158-W201 HydrophobicContact CG1-CZ3 4.25Å; Y183-W201 AromaticContact CD1-CH2 3.89Å; Y183-W201 HydrophobicContact CD1-CH2 3.89Å; Y183-W201 AromaticContact CD1-CZ3 3.53Å; Y183-W201 HydrophobicContact CD1-CZ3 3.53Å; Y183-W201 AromaticContact CD2-CH2 3.78Å; Y183-W201 HydrophobicContact CD2-CH2 3.78Å; Y183-W201 HydrophobicContact CD2-CZ3 4.28Å; Y183-W201 HydrophobicContact CE1-CE3 4.48Å; Y183-W201 AromaticContact CE1-CH2 3.76Å; Y183-W201 HydrophobicContact CE1-CH2 3.76Å; Y183-W201 AromaticContact CE1-CZ3 3.31Å; Y183-W201 HydrophobicContact CE1-CZ3 3.31Å; Y183-W201 AromaticContact CE2-CH2 3.61Å; Y183-W201 HydrophobicContact CE2-CH2 3.61Å; Y183-W201 HydrophobicContact CE2-CZ3 4.08Å; Y183-W201 AromaticContact CG-CH2 3.91Å; Y183-W201 HydrophobicContact CG-CH2 3.91Å; Y183-W201 HydrophobicContact CG-CZ3 4.03Å; Y183-W201 AromaticContact CZ-CH2 3.59Å; Y183-W201 AromaticContact CZ-CZ3 3.59Å; L197-W201 HydrophobicContact CD2-CE3 4.06Å; L197-W201 HydrophobicContact CD2-CH2 4.22Å; L197-W201 HydrophobicContact CD2-CZ3 3.76Å; L197-W201 PolarHBondContact O-N 2.9Å; W201-F203 HydrophobicContact CB-CD1 4.37Å; W201-F203 HydrophobicContact CB-CD2 3.57Å; W201-F203 HydrophobicContact CB-CE1 4.13Å; W201-F203 HydrophobicContact CB-CE2 3.27Å; W201-F203 HydrophobicContact CB-CG 4.12Å; W201-F203 HydrophobicContact CB-CZ 3.57Å; W201-F203 AromaticContact CD1-CZ 3.89Å; W201-F203 HydrophobicContact CD2-CE2 4.06Å; W201-F203 HydrophobicContact CD2-CZ 4.12Å; W201-F203 HydrophobicContact CE3-CE2 4.29Å; W201-F203 HydrophobicContact CG-CD2 4.42Å; W201-F203 HydrophobicContact CG-CE1 4.33Å; W201-F203 AromaticContact CG-CE2 3.65Å; W201-F203 HydrophobicContact CG-CE2 3.65Å; W201-F203 AromaticContact CG-CZ 3.59Å; W201-F203 HydrophobicContact CG-CZ 3.59Å; W201-F203 PolarHBondContact O-N 2.81Å |
| 202 | D | 93.8 | Very high | 92.5 | Very high | 111 Ų | 111 | 59.9 Ų | 59.9 | 59% | 0.594 | 32% | 0.322 | S | S | * | . | trans | -84.1 | 56.3 | 178.1 | -59.3 | -24.3 | 0 | 0 | 0 | 112.4 | H156 N159 | H156-D202 PolarHBondContact CE1-O 2.99Å; H156-D202 PolarHBondContact ND1-O 3.47Å; N159-D202 PolarHBondContact ND2-OD1 2.88Å | ||
| 203 | F | 91.7 | Very high | 91.9 | Very high | 15 Ų | 15 | 63.1 Ų | 63.1 | 7% | 0.066 | 34% | 0.337 | C | S | . | . | trans | -73.1 | -42.5 | 179.2 | -65.7 | -57.8 | 0 | 0 | 0 | 113.1 | F149 Y151 H156 L197 W201 I306 | F149-F203 HydrophobicContact CB-CE1 3.81Å; F149-F203 HydrophobicContact CB-CZ 3.71Å; F149-F203 AromaticContact CD2-CZ 3.95Å; F149-F203 HydrophobicContact CD2-CZ 3.95Å; F149-F203 HydrophobicContact CG-CZ 4.12Å; Y151-F203 HydrophobicContact CD1-CB 4.05Å; Y151-F203 AromaticContact CD1-CD1 3.95Å; Y151-F203 HydrophobicContact CD1-CD1 3.95Å; Y151-F203 HydrophobicContact CD1-CG 4.4Å; Y151-F203 HydrophobicContact CE1-CB 4.21Å; Y151-F203 AromaticContact CG-CD1 3.86Å; Y151-F203 HydrophobicContact CG-CD1 3.86Å; Y151-F203 HydrophobicContact CG-CE1 4.47Å; H156-F203 HydrophobicContact CB-CD1 3.96Å; H156-F203 HydrophobicContact CB-CE1 3.67Å; H156-F203 AromaticContact CD2-CD1 3.81Å; H156-F203 AromaticContact CG-CD1 3.74Å; H156-F203 AromaticContact CG-CE1 3.93Å; L197-F203 HydrophobicContact CB-CD2 4.46Å; L197-F203 HydrophobicContact CB-CE2 3.86Å; L197-F203 VanDerWaalsContact O-CD2 3.23Å; L197-F203 WeakPolarHBondContact O-CD2 3.34Å; L197-F203 WeakPolarHBondContact O-CE2 3.44Å; W201-F203 HydrophobicContact CB-CD1 4.37Å; W201-F203 HydrophobicContact CB-CD2 3.57Å; W201-F203 HydrophobicContact CB-CE1 4.13Å; W201-F203 HydrophobicContact CB-CE2 3.27Å; W201-F203 HydrophobicContact CB-CG 4.12Å; W201-F203 HydrophobicContact CB-CZ 3.57Å; W201-F203 AromaticContact CD1-CZ 3.89Å; W201-F203 HydrophobicContact CD2-CE2 4.06Å; W201-F203 HydrophobicContact CD2-CZ 4.12Å; W201-F203 HydrophobicContact CE3-CE2 4.29Å; W201-F203 HydrophobicContact CG-CD2 4.42Å; W201-F203 HydrophobicContact CG-CE1 4.33Å; W201-F203 AromaticContact CG-CE2 3.65Å; W201-F203 HydrophobicContact CG-CE2 3.65Å; W201-F203 AromaticContact CG-CZ 3.59Å; W201-F203 HydrophobicContact CG-CZ 3.59Å; W201-F203 PolarHBondContact O-N 2.81Å; F203-I306 HydrophobicContact CB-CD1 4.48Å; F203-I306 HydrophobicContact CD1-CG2 4.39Å; F203-I306 HydrophobicContact CD2-CD1 4.39Å; F203-I306 HydrophobicContact CD2-CG2 3.67Å; F203-I306 HydrophobicContact CE1-CG2 4.39Å; F203-I306 HydrophobicContact CE2-CG2 3.67Å; F203-I306 HydrophobicContact CG-CG2 4.04Å; F203-I306 HydrophobicContact CZ-CG2 4.05Å | ||
| 204 | L | 91.4 | Very high | 91.4 | Very high | 34 Ų | 34 | 61.9 Ų | 61.9 | 18% | 0.178 | 34% | 0.335 | C | S | . | . | S | Bend | trans | -114.7 | 154.9 | -172.3 | -60.4 | 178.1 | 0 | 0 | 0 | 110.3 | Y151 E198 Y300 D303 I306 | Y151-L204 HydrophobicContact CE1-CD2 4.27Å; E198-L204 HydrophobicContact CG-CD1 4.33Å; L204-Y300 HydrophobicContact CB-CD2 4.3Å; L204-Y300 HydrophobicContact CB-CE2 4.23Å; L204-Y300 HydrophobicContact CD1-CE2 3.83Å; L204-D303 HydrophobicContact CD2-CB 4.46Å; L204-I306 HydrophobicContact CD1-CD1 4.18Å; L204-I306 HydrophobicContact CG-CD1 4.42Å |
| 205 | P | 88.9 | Confident | 90.8 | Very high | 57 Ų | 57 | 68 Ų | 68 | 37% | 0.37 | 36% | 0.356 | S | S | . | . | trans | -54.9 | 155.1 | 169 | -24.4 | 35 | 0 | 0 | 0 | 111.8 | K207 N297 E299 Y300 | P205-K207 PolarHBondContact O-N 3Å; P205-N297 WeakPolarHBondContact CB-ND2 3.37Å; P205-E299 HydrophobicContact CG-CB 4.47Å; P205-Y300 WeakPolarHBondContact O-CD2 3.47Å | ||
| 206 | P | 87.4 | Confident | 90.2 | Very high | 83 Ų | 83 | 71.4 Ų | 71.4 | 54% | 0.539 | 37% | 0.365 | S | S | . | . | trans | -60.2 | 139.8 | 179.4 | 26.3 | -35.1 | 0 | 0 | 0 | 110.4 | K208 I209 N297 | P206-K208 PolarHBondContact O-N 3.4Å; P206-I209 HydrophobicContact CG-CG2 4.05Å; P206-N297 WeakPolarHBondContact O-CB 3.38Å; P206-N297 PolarHBondContact O-ND2 2.91Å | ||
| 207 | K | 87.9 | Confident | 89.7 | Confident | 97 Ų | 97 | 70.2 Ų | 70.2 | 42% | 0.422 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -58.5 | -33 | 179.8 | -70.2 | 172.9 | 176.8 | 165.8 | 0 | 112.2 | E198 D199 P205 N297 Y300 | E198-K207 IonicContact OE2-NZ 3.38Å; E198-K207 PolarHBondContact OE2-NZ 2.89Å; D199-K207 IonicContact OD1-NZ 2.68Å; P205-K207 PolarHBondContact O-N 3Å; K207-N297 PolarHBondContact O-N 3.05Å; K207-Y300 HydrophobicContact CD-CE2 4.45Å; K207-Y300 WeakPolarHBondContact CE-OH 3.46Å; K207-Y300 HydrophobicContact CG-CD1 4.36Å; K207-Y300 HydrophobicContact CG-CD2 3.95Å; K207-Y300 HydrophobicContact CG-CE1 4.1Å; K207-Y300 HydrophobicContact CG-CE2 3.67Å; K207-Y300 HydrophobicContact CG-CG 4.3Å |
| 208 | K | 88.4 | Confident | 89 | Confident | 119 Ų | 119 | 80.1 Ų | 80.1 | 52% | 0.517 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 142 | -179.9 | -65.6 | -176.1 | 178 | -177.1 | 0 | 111.5 | P206 E294 I295 | P206-K208 PolarHBondContact O-N 3.4Å; K208-E294 HydrophobicContact CB-CB 4.32Å; K208-E294 HydrophobicContact CD-CB 4.41Å; K208-I295 CarbonylContact C-O 3.45Å; K208-I295 VanDerWaalsContact CA-O 3.29Å; K208-I295 WeakPolarHBondContact CA-O 3.41Å |
| 209 | I | 90 | Very high | 88.4 | Confident | 53 Ų | 53 | 82.7 Ų | 82.7 | 27% | 0.272 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 154.9 | 174 | 58.3 | 172.7 | 0 | 0 | 0 | 109.9 | P206 D211 E294 I295 N297 | P206-I209 HydrophobicContact CG-CG2 4.05Å; I209-D211 PolarHBondContact O-N 2.93Å; I209-E294 CarbonylContact O-C 3.58Å; I209-E294 WeakPolarHBondContact O-CA 3.38Å; I209-I295 HydrophobicContact CG1-CD1 4.47Å; I209-I295 HydrophobicContact CG1-CG1 3.94Å; I209-I295 PolarHBondContact N-O 2.87Å; I209-I295 PolarHBondContact O-N 3.11Å; I209-N297 HydrophobicContact CG1-CB 4.28Å; I209-N297 HydrophobicContact CG2-CB 3.97Å |
| 210 | K | 89.6 | Confident | 87.8 | Confident | 138 Ų | 138 | 80.6 Ų | 80.6 | 60% | 0.6 | 41% | 0.408 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -63.2 | 131 | 170.7 | -76.1 | -177.6 | -177.3 | 176.2 | 0 | 109.5 | P212 H292 | K210-P212 VanDerWaalsContact O-CD 3.26Å; K210-P212 WeakPolarHBondContact O-CD 3.4Å; K210-P212 VanDerWaalsContact O-N 3.09Å; K210-H292 HydrophobicContact CD-CB 4.22Å; K210-H292 HydrophobicContact CG-CB 4.44Å |
| 211 | D | 88.4 | Confident | 87.1 | Confident | 35 Ų | 35 | 81.2 Ų | 81.2 | 19% | 0.187 | 41% | 0.411 | C | S | . | . | trans | -59 | 108 | -179.5 | -176.9 | -7.2 | 0 | 0 | 0 | 112.4 | I209 N213 A214 H292 P293 I295 | I209-D211 PolarHBondContact O-N 2.93Å; D211-N213 PolarHBondContact O-N 2.93Å; D211-N213 WeakPolarHBondContact OD1-CB 3.28Å; D211-N213 PolarHBondContact OD1-N 3.08Å; D211-N213 PolarHBondContact OD1-ND2 2.9Å; D211-A214 HydrophobicContact CB-CB 3.77Å; D211-A214 PolarHBondContact O-N 2.96Å; D211-H292 PolarHBondContact N-CE1 3.29Å; D211-H292 VanDerWaalsContact N-CE1 3.34Å; D211-H292 PolarHBondContact O-CE1 2.81Å; D211-P293 HydrophobicContact CB-CG 4.13Å; D211-P293 PolarHBondContact N-O 2.76Å; D211-I295 HydrophobicContact CB-CD1 4.29Å; D211-I295 HydrophobicContact CB-CG1 4.27Å; D211-I295 HydrophobicContact CB-CG2 3.87Å | ||
| 212 | P | 87.4 | Confident | 86.4 | Confident | 99 Ų | 99 | 84.2 Ų | 84.2 | 64% | 0.643 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -16.6 | -176.3 | 27.6 | -35.3 | 0 | 0 | 0 | 113.4 | K210 | K210-P212 VanDerWaalsContact O-CD 3.26Å; K210-P212 WeakPolarHBondContact O-CD 3.4Å; K210-P212 VanDerWaalsContact O-N 3.09Å |
| 213 | N | 85.6 | Confident | 85.8 | Confident | 138 Ų | 138 | 85.9 Ų | 85.9 | 74% | 0.738 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.9 | -15.9 | 178.2 | -55.5 | -62.3 | 0 | 0 | 0 | 113.3 | D211 K215 | D211-N213 PolarHBondContact O-N 2.93Å; D211-N213 WeakPolarHBondContact OD1-CB 3.28Å; D211-N213 PolarHBondContact OD1-N 3.08Å; D211-N213 PolarHBondContact OD1-ND2 2.9Å; N213-K215 PolarHBondContact O-N 2.67Å |
| 214 | A | 86.3 | Confident | 85.4 | Confident | 19 Ų | 19 | 90.8 Ų | 90.8 | 16% | 0.157 | 45% | 0.448 | C | S | . | . | trans | -77.1 | 126.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | D211 H292 P293 | D211-A214 HydrophobicContact CB-CB 3.77Å; D211-A214 PolarHBondContact O-N 2.96Å; A214-H292 PolarHBondContact O-NE2 2.82Å; A214-P293 HydrophobicContact CB-CG 3.29Å | ||
| 215 | K | 85.8 | Confident | 85.1 | Confident | 175 Ų | 175 | 94.5 Ų | 94.5 | 76% | 0.761 | 46% | 0.463 | S | S | * | . | trans | -119.8 | 147 | 171.4 | -66 | -176.3 | -178.4 | 179.6 | 0 | 108.7 | N213 P217 | N213-K215 PolarHBondContact O-N 2.67Å; K215-P217 WeakPolarHBondContact O-CD 3.3Å | ||
| 216 | K | 83.1 | Confident | 84.9 | Confident | 92 Ų | 92 | 93.2 Ų | 93.2 | 40% | 0.4 | 45% | 0.453 | S | S | . | . | trans | -57 | 124.2 | 171.4 | -176.2 | -179.2 | 173.7 | -163.9 | 0 | 108.3 | W220 D222 W290 | K216-W220 WeakPolarHBondContact CE-O 3.34Å; K216-W220 HydrophobicContact CG-CB 4.24Å; K216-W220 PolarHBondContact NZ-O 3.04Å; K216-W220 VanDerWaalsContact NZ-O 3.15Å; K216-D222 WeakPolarHBondContact CE-OD2 3.43Å; K216-D222 IonicContact NZ-OD1 2.65Å; K216-D222 PolarHBondContact NZ-OD1 3.48Å; K216-D222 IonicContact NZ-OD2 2.67Å; K216-D222 PolarHBondContact NZ-OD2 3.18Å; K216-W290 HydrophobicContact CB-CG 4.18Å; K216-W290 HydrophobicContact CD-CB 4.12Å; K216-W290 HydrophobicContact CD-CG 4.33Å; K216-W290 HydrophobicContact CG-CB 4.02Å; K216-W290 HydrophobicContact CG-CD2 4.35Å; K216-W290 HydrophobicContact CG-CG 3.77Å | ||
| 217 | P | 85.4 | Confident | 84.7 | Confident | 43 Ų | 43 | 92.8 Ų | 92.8 | 28% | 0.279 | 45% | 0.45 | S | S | . | . | trans | -60.7 | 142.6 | 177.1 | -23.4 | 34.3 | 0 | 0 | 0 | 111.5 | K215 D219 W220 W290 | K215-P217 WeakPolarHBondContact O-CD 3.3Å; P217-D219 WeakPolarHBondContact CB-OD1 3.45Å; P217-D219 PolarHBondContact O-N 3.49Å; P217-W220 HydrophobicContact CB-CB 4.25Å; P217-W220 HydrophobicContact CG-CE3 4.43Å; P217-W220 VanDerWaalsContact O-CB 3.28Å; P217-W220 WeakPolarHBondContact O-CB 3.37Å; P217-W220 PolarHBondContact O-N 3.02Å; P217-W220 VanDerWaalsContact O-N 3.12Å; P217-W290 HydrophobicContact CG-CH2 4.14Å; P217-W290 HydrophobicContact CG-CZ3 4.13Å | ||
| 218 | E | 80.1 | Confident | 84.4 | Confident | 208 Ų | 208 | 90.1 Ų | 90.1 | 97% | 0.972 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -24.4 | 178 | -66.7 | -173.9 | 165 | 0 | 0 | 112.4 | W220 | E218-W220 PolarHBondContact O-N 3.19Š|
| 219 | D | 79.9 | Confident | 84 | Confident | 106 Ų | 106 | 90 Ų | 90 | 57% | 0.567 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | 2.4 | 175.8 | 74.2 | -53.6 | 0 | 0 | 0 | 113.5 | P217 D221 K287 | P217-D219 WeakPolarHBondContact CB-OD1 3.45Å; P217-D219 PolarHBondContact O-N 3.49Å; D219-D221 PolarHBondContact O-N 2.68Å; D219-K287 IonicContact OD2-NZ 3.33Å; D219-K287 PolarHBondContact OD2-NZ 2.92Å |
| 220 | W | 81.3 | Confident | 83.4 | Confident | 48 Ų | 48 | 91.2 Ų | 91.2 | 18% | 0.182 | 47% | 0.469 | C | S | . | . | trans | -89.7 | 97.6 | -177 | -162.1 | -72.3 | 0 | 0 | 0 | 111.9 | K216 P217 E218 D222 K287 G288 W290 | K216-W220 WeakPolarHBondContact CE-O 3.34Å; K216-W220 HydrophobicContact CG-CB 4.24Å; K216-W220 PolarHBondContact NZ-O 3.04Å; K216-W220 VanDerWaalsContact NZ-O 3.15Å; P217-W220 HydrophobicContact CB-CB 4.25Å; P217-W220 HydrophobicContact CG-CE3 4.43Å; P217-W220 VanDerWaalsContact O-CB 3.28Å; P217-W220 WeakPolarHBondContact O-CB 3.37Å; P217-W220 PolarHBondContact O-N 3.02Å; P217-W220 VanDerWaalsContact O-N 3.12Å; E218-W220 PolarHBondContact O-N 3.19Å; W220-D222 PolarHBondContact NE1-OD1 3.05Å; W220-D222 PolarHBondContact O-N 2.79Å; W220-K287 HydrophobicContact CD2-CB 4.3Å; W220-K287 HydrophobicContact CD2-CD 4.45Å; W220-K287 HydrophobicContact CE3-CB 4.28Å; W220-K287 HydrophobicContact CE3-CD 3.85Å; W220-K287 HydrophobicContact CH2-CB 3.45Å; W220-K287 VanDerWaalsContact CH2-CB 3.45Å; W220-K287 HydrophobicContact CH2-CD 4.17Å; W220-K287 HydrophobicContact CH2-CG 4.45Å; W220-K287 HydrophobicContact CZ2-CB 3.45Å; W220-K287 VanDerWaalsContact CZ2-CB 3.45Å; W220-K287 WeakPolarHBondContact CZ2-O 3.1Å; W220-K287 HydrophobicContact CZ3-CB 3.88Å; W220-K287 HydrophobicContact CZ3-CD 3.69Å; W220-K287 HydrophobicContact CZ3-CG 4.44Å; W220-G288 VanDerWaalsContact CE2-O 3.31Å; W220-G288 WeakPolarHBondContact CZ2-O 3.48Å; W220-G288 PolarHBondContact NE1-O 2.95Å; W220-W290 HydrophobicContact CD2-CB 4.43Å; W220-W290 HydrophobicContact CD2-CD2 4.48Å; W220-W290 AromaticContact CD2-CE3 3.65Å; W220-W290 HydrophobicContact CD2-CE3 3.65Å; W220-W290 HydrophobicContact CD2-CZ3 4.35Å; W220-W290 AromaticContact CE2-CE3 3.82Å; W220-W290 AromaticContact CE3-CE3 3.61Å; W220-W290 HydrophobicContact CE3-CE3 3.61Å; W220-W290 AromaticContact CE3-CZ3 3.84Å; W220-W290 HydrophobicContact CE3-CZ3 3.84Å; W220-W290 HydrophobicContact CG-CB 4.26Å; W220-W290 HydrophobicContact CG-CE3 4.34Å; W220-W290 AromaticContact CH2-CE3 3.9Å; W220-W290 HydrophobicContact CH2-CE3 3.9Å; W220-W290 HydrophobicContact CH2-CZ3 4.15Å; W220-W290 AromaticContact CZ2-CE3 3.95Å; W220-W290 HydrophobicContact CZ2-CE3 3.95Å; W220-W290 AromaticContact CZ3-CE3 3.74Å; W220-W290 HydrophobicContact CZ3-CE3 3.74Å; W220-W290 AromaticContact CZ3-CZ3 3.73Å; W220-W290 HydrophobicContact CZ3-CZ3 3.73Å | ||
| 221 | D | 81.3 | Confident | 82.9 | Confident | 33 Ų | 33 | 86.7 Ų | 86.7 | 18% | 0.176 | 45% | 0.452 | C | S | . | . | B | Isolated β-bridge | trans | -81.3 | 115.5 | 175.2 | -159.3 | -18.6 | 0 | 0 | 0 | 110.7 | D219 R223 N283 Y286 | D219-D221 PolarHBondContact O-N 2.68Å; D221-R223 VanDerWaalsContact C-N 3.3Å; D221-R223 WeakPolarHBondContact OD1-CB 3.1Å; D221-R223 VanDerWaalsContact OD1-CG 3.32Å; D221-R223 WeakPolarHBondContact OD1-CG 3.41Å; D221-R223 IonicContact OD1-CZ 3.75Å; D221-R223 PolarHBondContact OD1-N 2.61Å; D221-R223 IonicContact OD1-NE 2.89Å; D221-R223 PolarHBondContact OD1-NE 3.32Å; D221-R223 IonicContact OD1-NH2 3.73Å; D221-R223 IonicContact OD2-CZ 3.43Å; D221-R223 IonicContact OD2-NE 3.28Å; D221-R223 PolarHBondContact OD2-NE 3.14Å; D221-R223 IonicContact OD2-NH2 2.73Å; D221-R223 PolarHBondContact OD2-NH2 3.36Å; D221-N283 PolarHBondContact OD2-ND2 2.82Å; D221-Y286 WeakPolarHBondContact O-CD2 3.35Å |
| 222 | D | 81.6 | Confident | 82.4 | Confident | 65 Ų | 65 | 93.1 Ų | 93.1 | 35% | 0.348 | 48% | 0.478 | S | S | . | . | trans | -85.7 | -2.3 | 176.1 | -73.9 | -22.2 | 0 | 0 | 0 | 112.3 | K216 W220 E224 Y286 W290 | K216-D222 WeakPolarHBondContact CE-OD2 3.43Å; K216-D222 IonicContact NZ-OD1 2.65Å; K216-D222 PolarHBondContact NZ-OD1 3.48Å; K216-D222 IonicContact NZ-OD2 2.67Å; K216-D222 PolarHBondContact NZ-OD2 3.18Å; W220-D222 PolarHBondContact NE1-OD1 3.05Å; W220-D222 PolarHBondContact O-N 2.79Å; D222-E224 PolarHBondContact O-N 3.01Å; D222-Y286 WeakPolarHBondContact O-CE2 3.25Å; D222-W290 PolarHBondContact OD1-N 2.59Å | ||
| 223 | R | 80.9 | Confident | 81.9 | Confident | 146 Ų | 146 | 92.2 Ų | 92.2 | 55% | 0.551 | 46% | 0.464 | S | S | * | . | trans | -80.9 | 112.2 | -179.4 | -61 | 172.9 | -65.7 | 177.2 | 4.8 | 109.3 | D221 K225 I226 N283 | D221-R223 VanDerWaalsContact C-N 3.3Å; D221-R223 WeakPolarHBondContact OD1-CB 3.1Å; D221-R223 VanDerWaalsContact OD1-CG 3.32Å; D221-R223 WeakPolarHBondContact OD1-CG 3.41Å; D221-R223 IonicContact OD1-CZ 3.75Å; D221-R223 PolarHBondContact OD1-N 2.61Å; D221-R223 IonicContact OD1-NE 2.89Å; D221-R223 PolarHBondContact OD1-NE 3.32Å; D221-R223 IonicContact OD1-NH2 3.73Å; D221-R223 IonicContact OD2-CZ 3.43Å; D221-R223 IonicContact OD2-NE 3.28Å; D221-R223 PolarHBondContact OD2-NE 3.14Å; D221-R223 IonicContact OD2-NH2 2.73Å; D221-R223 PolarHBondContact OD2-NH2 3.36Å; R223-K225 PolarHBondContact O-N 2.93Å; R223-I226 HydrophobicContact CB-CG2 4.26Å; R223-N283 WeakPolarHBondContact O-CB 3.1Å; R223-N283 PolarHBondContact O-ND2 3.43Å | ||
| 224 | E | 82.3 | Confident | 81.6 | Confident | 119 Ų | 119 | 88.6 Ų | 88.6 | 56% | 0.556 | 45% | 0.448 | S | S | * | . | S | Bend | trans | -60.4 | -36.8 | 173.1 | -73.4 | -177.3 | 178.9 | 0 | 0 | 111.9 | D222 N283 Y286 | D222-E224 PolarHBondContact O-N 3.01Å; E224-N283 PolarHBondContact O-N 3.26Å; E224-Y286 HydrophobicContact CB-CE1 4.49Å; E224-Y286 HydrophobicContact CG-CD1 4.04Å; E224-Y286 HydrophobicContact CG-CD2 4.27Å; E224-Y286 HydrophobicContact CG-CE1 3.46Å; E224-Y286 VanDerWaalsContact CG-CE1 3.46Å; E224-Y286 HydrophobicContact CG-CE2 3.75Å; E224-Y286 HydrophobicContact CG-CG 4.4Å; E224-Y286 WeakPolarHBondContact CG-OH 3.28Å; E224-Y286 PolarHBondContact OE1-OH 2.96Å |
| 225 | K | 86.6 | Confident | 81 | Confident | 111 Ų | 111 | 97.4 Ų | 97.4 | 48% | 0.483 | 49% | 0.486 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 140.5 | 179.5 | -61.4 | -174.9 | -178.6 | -179.4 | 0 | 111.2 | R223 E280 I281 | R223-K225 PolarHBondContact O-N 2.93Å; K225-E280 HydrophobicContact CB-CB 4.16Å; K225-E280 HydrophobicContact CD-CB 4.16Å; K225-I281 CarbonylContact C-O 3.58Å; K225-I281 VanDerWaalsContact CA-O 3.29Å; K225-I281 WeakPolarHBondContact CA-O 3.46Å |
| 226 | I | 84.3 | Confident | 80.3 | Confident | 30 Ų | 30 | 94 Ų | 94 | 15% | 0.154 | 48% | 0.476 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 151 | 174.4 | 56.2 | 173.2 | 0 | 0 | 0 | 109.4 | R223 D228 E280 I281 N283 | R223-I226 HydrophobicContact CB-CG2 4.26Å; I226-D228 PolarHBondContact O-N 2.8Å; I226-E280 WeakPolarHBondContact O-CA 3.37Å; I226-I281 HydrophobicContact CG1-CD1 4.47Å; I226-I281 HydrophobicContact CG1-CG1 3.98Å; I226-I281 PolarHBondContact N-O 3.3Å; I226-I281 WeakPolarHBondContact O-CG1 3.41Å; I226-I281 PolarHBondContact O-N 3.13Å; I226-N283 HydrophobicContact CD1-CB 4.29Å; I226-N283 HydrophobicContact CG1-CB 4.04Å; I226-N283 HydrophobicContact CG2-CB 3.93Å |
| 227 | P | 83.3 | Confident | 79.8 | Confident | 74 Ų | 74 | 92.6 Ų | 92.6 | 48% | 0.481 | 47% | 0.469 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.7 | 134.1 | 171.9 | 26.4 | -34.6 | 0 | 0 | 0 | 109.8 | P229 P278 | P227-P229 VanDerWaalsContact O-CD 3.25Å; P227-P229 WeakPolarHBondContact O-CD 3.32Å; P227-P278 HydrophobicContact CB-CB 4Å; P227-P278 HydrophobicContact CB-CG 3.43Å; P227-P278 VanDerWaalsContact CB-CG 3.43Å |
| 228 | D | 81.9 | Confident | 79.2 | Confident | 42 Ų | 42 | 96.2 Ų | 96.2 | 23% | 0.225 | 49% | 0.485 | C | S | . | . | trans | -62.7 | 113.6 | -179.8 | -173.9 | -10.9 | 0 | 0 | 0 | 109.7 | I226 A230 D231 R279 I281 | I226-D228 PolarHBondContact O-N 2.8Å; D228-A230 PolarHBondContact O-N 2.93Å; D228-A230 WeakPolarHBondContact OD1-CB 3.48Å; D228-A230 PolarHBondContact OD1-N 3.2Å; D228-D231 HydrophobicContact CB-CB 3.76Å; D228-D231 PolarHBondContact O-N 3.11Å; D228-D231 VanDerWaalsContact O-N 3.17Å; D228-R279 VanDerWaalsContact CB-O 3.26Å; D228-R279 WeakPolarHBondContact CB-O 3.34Å; D228-R279 PolarHBondContact N-O 3.1Å; D228-I281 HydrophobicContact CB-CD1 4.3Å; D228-I281 HydrophobicContact CB-CG1 4.21Å; D228-I281 HydrophobicContact CB-CG2 3.8Å | ||
| 229 | P | 78.3 | Confident | 79.1 | Confident | 116 Ų | 116 | 88.3 Ų | 88.3 | 75% | 0.753 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | -15 | -179.8 | 29.6 | -34.7 | 0 | 0 | 0 | 112.9 | P227 | P227-P229 VanDerWaalsContact O-CD 3.25Å; P227-P229 WeakPolarHBondContact O-CD 3.32Å |
| 230 | A | 77.9 | Confident | 78.9 | Confident | 78 Ų | 78 | 87.1 Ų | 87.1 | 65% | 0.645 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.6 | -15.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | D228 K232 | D228-A230 PolarHBondContact O-N 2.93Å; D228-A230 WeakPolarHBondContact OD1-CB 3.48Å; D228-A230 PolarHBondContact OD1-N 3.2Å; A230-K232 PolarHBondContact O-N 2.81Å |
| 231 | D | 79.8 | Confident | 78.8 | Confident | 44 Ų | 44 | 90 Ų | 90 | 24% | 0.235 | 46% | 0.461 | C | S | . | . | trans | -76 | 120.2 | 176.7 | -164.5 | 17.8 | 0 | 0 | 0 | 109.1 | D228 W276 P278 R279 | D228-D231 HydrophobicContact CB-CB 3.76Å; D228-D231 PolarHBondContact O-N 3.11Å; D228-D231 VanDerWaalsContact O-N 3.17Å; D231-W276 HydrophobicContact CB-CZ2 4.35Å; D231-W276 WeakPolarHBondContact O-CH2 3.38Å; D231-P278 HydrophobicContact CB-CB 4.39Å; D231-R279 VanDerWaalsContact OD2-CG 3.27Å; D231-R279 WeakPolarHBondContact OD2-CG 3.07Å; D231-R279 PolarHBondContact OD2-N 3.09Å | ||
| 232 | K | 77.4 | Confident | 78.9 | Confident | 169 Ų | 169 | 91.8 Ų | 91.8 | 74% | 0.735 | 47% | 0.471 | S | S | * | . | trans | -113.8 | 137.3 | -179.3 | -70.6 | -176.4 | 179.7 | -179.7 | 0 | 108.1 | A230 P234 W276 | A230-K232 PolarHBondContact O-N 2.81Å; K232-P234 WeakPolarHBondContact O-CD 3.42Å; K232-P234 VanDerWaalsContact O-N 3.07Å; K232-W276 VanDerWaalsContact C-CZ2 3.48Å | ||
| 233 | K | 77.2 | Confident | 78.9 | Confident | 80 Ų | 80 | 90.9 Ų | 90.9 | 35% | 0.348 | 47% | 0.465 | S | S | . | . | trans | -50.4 | 117.1 | 171.8 | -171.9 | 172.6 | -171 | 177.6 | 0 | 109.5 | W237 D238 W276 | K233-W237 HydrophobicContact CG-CB 4.15Å; K233-D238 VanDerWaalsContact CE-OD1 3.26Å; K233-D238 WeakPolarHBondContact CE-OD1 3.08Å; K233-D238 WeakPolarHBondContact CE-OD2 3.13Å; K233-D238 IonicContact NZ-OD1 2.61Å; K233-D238 PolarHBondContact NZ-OD1 2.86Å; K233-D238 IonicContact NZ-OD2 2.63Å; K233-D238 PolarHBondContact NZ-OD2 2.77Å; K233-W276 VanDerWaalsContact CA-CE2 3.49Å; K233-W276 HydrophobicContact CB-CD2 3.68Å; K233-W276 HydrophobicContact CB-CE3 3.8Å; K233-W276 HydrophobicContact CB-CG 4.07Å; K233-W276 HydrophobicContact CB-CH2 4.44Å; K233-W276 HydrophobicContact CB-CZ2 4.36Å; K233-W276 HydrophobicContact CB-CZ3 4.18Å; K233-W276 HydrophobicContact CD-CB 3.93Å; K233-W276 HydrophobicContact CD-CD2 4.4Å; K233-W276 HydrophobicContact CD-CE3 4.43Å; K233-W276 HydrophobicContact CD-CG 4.22Å; K233-W276 HydrophobicContact CG-CB 3.91Å; K233-W276 HydrophobicContact CG-CD2 3.88Å; K233-W276 HydrophobicContact CG-CE3 4.26Å; K233-W276 HydrophobicContact CG-CG 3.72Å; K233-W276 VanDerWaalsContact N-CZ2 3.28Å | ||
| 234 | P | 79.6 | Confident | 79 | Confident | 63 Ų | 63 | 87.1 Ų | 87.1 | 41% | 0.409 | 46% | 0.46 | S | S | . | . | trans | -60.7 | 140.9 | 174.8 | -23 | 34.2 | 0 | 0 | 0 | 109.8 | K232 D236 W237 | K232-P234 WeakPolarHBondContact O-CD 3.42Å; K232-P234 VanDerWaalsContact O-N 3.07Å; P234-D236 PolarHBondContact O-N 2.86Å; P234-D236 VanDerWaalsContact O-N 3.12Å; P234-W237 HydrophobicContact CB-CB 4.48Å; P234-W237 HydrophobicContact CG-CE3 4.3Å; P234-W237 VanDerWaalsContact O-CB 3.26Å; P234-W237 WeakPolarHBondContact O-CB 3.37Å; P234-W237 PolarHBondContact O-N 2.85Å | ||
| 235 | E | 72.8 | Confident | 78.9 | Confident | 204 Ų | 204 | 83.5 Ų | 83.5 | 95% | 0.953 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -25.1 | 179.2 | -66.8 | -177.3 | 169 | 0 | 0 | 112.4 | W237 | E235-W237 VanDerWaalsContact C-N 3.33Å; E235-W237 PolarHBondContact O-N 2.84Å |
| 236 | D | 70.6 | Confident | 78.6 | Confident | 102 Ų | 102 | 83 Ų | 83 | 55% | 0.545 | 45% | 0.453 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | 12.2 | 178.6 | -164.7 | 40.6 | 0 | 0 | 0 | 114 | P234 K239 | P234-D236 PolarHBondContact O-N 2.86Å; P234-D236 VanDerWaalsContact O-N 3.12Å; D236-K239 VanDerWaalsContact CG-CE 3.49Å; D236-K239 WeakPolarHBondContact OD1-CE 3.29Å; D236-K239 IonicContact OD1-NZ 2.67Å; D236-K239 PolarHBondContact OD1-NZ 2.67Å; D236-K239 IonicContact OD2-NZ 3.82Å; D236-K239 PolarHBondContact OD2-NZ 2.86Å |
| 237 | W | 74.3 | Confident | 78.3 | Confident | 64 Ų | 64 | 88.5 Ų | 88.5 | 24% | 0.242 | 48% | 0.482 | C | S | . | . | S | Bend | trans | -89.5 | -35.4 | -178.9 | -164.4 | -74.6 | 0 | 0 | 0 | 113.3 | K233 P234 E235 K239 K273 G274 W276 | K233-W237 HydrophobicContact CG-CB 4.15Å; P234-W237 HydrophobicContact CB-CB 4.48Å; P234-W237 HydrophobicContact CG-CE3 4.3Å; P234-W237 VanDerWaalsContact O-CB 3.26Å; P234-W237 WeakPolarHBondContact O-CB 3.37Å; P234-W237 PolarHBondContact O-N 2.85Å; E235-W237 VanDerWaalsContact C-N 3.33Å; E235-W237 PolarHBondContact O-N 2.84Å; W237-K239 PolarHBondContact O-N 2.83Å; W237-K273 HydrophobicContact CD2-CB 4.08Å; W237-K273 HydrophobicContact CD2-CD 4.23Å; W237-K273 HydrophobicContact CE3-CB 4.42Å; W237-K273 HydrophobicContact CE3-CD 3.81Å; W237-K273 HydrophobicContact CH2-CB 3.89Å; W237-K273 HydrophobicContact CH2-CD 4Å; W237-K273 HydrophobicContact CH2-CG 4.49Å; W237-K273 HydrophobicContact CZ2-CB 3.48Å; W237-K273 VanDerWaalsContact CZ2-CB 3.48Å; W237-K273 HydrophobicContact CZ2-CD 4.38Å; W237-K273 HydrophobicContact CZ3-CB 4.33Å; W237-K273 HydrophobicContact CZ3-CD 3.69Å; W237-G274 PolarHBondContact NE1-O 2.79Å; W237-W276 HydrophobicContact CD2-CB 4.35Å; W237-W276 AromaticContact CD2-CD1 3.65Å; W237-W276 HydrophobicContact CD2-CG 4.38Å; W237-W276 AromaticContact CE2-CD1 3.74Å; W237-W276 HydrophobicContact CG-CB 4.08Å; W237-W276 AromaticContact CG-CD1 4Å; W237-W276 HydrophobicContact CG-CG 4.37Å |
| 238 | D | 71.5 | Confident | 78.2 | Confident | 118 Ų | 118 | 86.2 Ų | 86.2 | 63% | 0.631 | 47% | 0.47 | S | S | * | . | trans | -80.1 | 72.9 | 176.8 | -84 | -31.3 | 0 | 0 | 0 | 110.7 | K233 | K233-D238 VanDerWaalsContact CE-OD1 3.26Å; K233-D238 WeakPolarHBondContact CE-OD1 3.08Å; K233-D238 WeakPolarHBondContact CE-OD2 3.13Å; K233-D238 IonicContact NZ-OD1 2.61Å; K233-D238 PolarHBondContact NZ-OD1 2.86Å; K233-D238 IonicContact NZ-OD2 2.63Å; K233-D238 PolarHBondContact NZ-OD2 2.77Å | ||
| 239 | K | 78.7 | Confident | 78.1 | Confident | 42 Ų | 42 | 93 Ų | 93 | 18% | 0.183 | 50% | 0.497 | C | S | . | . | trans | -92.4 | 144.3 | 168.9 | -70.2 | -177.4 | 177.3 | 179 | 0 | 109.6 | D236 W237 E241 D271 Y272 | D236-K239 VanDerWaalsContact CG-CE 3.49Å; D236-K239 WeakPolarHBondContact OD1-CE 3.29Å; D236-K239 IonicContact OD1-NZ 2.67Å; D236-K239 PolarHBondContact OD1-NZ 2.67Å; D236-K239 IonicContact OD2-NZ 3.82Å; D236-K239 PolarHBondContact OD2-NZ 2.86Å; W237-K239 PolarHBondContact O-N 2.83Å; K239-E241 PolarHBondContact O-N 2.9Å; K239-D271 HydrophobicContact CD-CB 3.35Å; K239-D271 IonicContact NZ-OD2 2.77Å; K239-D271 PolarHBondContact NZ-OD2 3.48Å; K239-Y272 WeakPolarHBondContact O-CD2 3.34Å | ||
| 240 | P | 76.3 | Confident | 78.1 | Confident | 81 Ų | 81 | 90.9 Ų | 90.9 | 53% | 0.526 | 48% | 0.476 | S | S | . | . | trans | -62 | 139.4 | 175.8 | 27.1 | -34.1 | 0 | 0 | 0 | 109.6 | N242 I243 N269 | P240-N242 PolarHBondContact O-N 2.78Å; P240-I243 HydrophobicContact CG-CG2 3.89Å; P240-N269 WeakPolarHBondContact O-CB 3.49Å; P240-N269 PolarHBondContact O-ND2 2.81Å | ||
| 241 | E | 79.1 | Confident | 78.3 | Confident | 109 Ų | 109 | 90.4 Ų | 90.4 | 51% | 0.509 | 47% | 0.467 | S | S | . | . | S | Bend | trans | -60.9 | -31 | -179.5 | -179 | 169.7 | -156.6 | 0 | 0 | 112 | K239 T268 N269 Y272 | K239-E241 PolarHBondContact O-N 2.9Å; E241-T268 WeakPolarHBondContact O-CA 3.2Å; E241-N269 PolarHBondContact O-N 3.24Å; E241-Y272 HydrophobicContact CB-CD1 4.07Å; E241-Y272 HydrophobicContact CB-CD2 4.37Å; E241-Y272 HydrophobicContact CB-CE1 3.92Å; E241-Y272 HydrophobicContact CB-CE2 4.25Å; E241-Y272 HydrophobicContact CB-CG 4.27Å; E241-Y272 HydrophobicContact CG-CD1 3.83Å; E241-Y272 HydrophobicContact CG-CE1 3.67Å; E241-Y272 HydrophobicContact CG-CG 4.48Å |
| 242 | N | 82.3 | Confident | 78.3 | Confident | 71 Ų | 71 | 96.9 Ų | 96.9 | 38% | 0.38 | 50% | 0.501 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 136.2 | 175.5 | -56.1 | -72 | 0 | 0 | 0 | 110.9 | P240 M266 I267 | P240-N242 PolarHBondContact O-N 2.78Å; N242-M266 HydrophobicContact CB-CB 4.09Å; N242-I267 CarbonylContact C-O 3.55Å; N242-I267 VanDerWaalsContact CA-O 3.26Å; N242-I267 WeakPolarHBondContact CA-O 3.41Å |
| 243 | I | 81.2 | Confident | 78.3 | Confident | 45 Ų | 45 | 96.6 Ų | 96.6 | 23% | 0.231 | 51% | 0.508 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 150.5 | 173.9 | 55.9 | 174.2 | 0 | 0 | 0 | 109.2 | P240 D245 M266 I267 N269 | P240-I243 HydrophobicContact CG-CG2 3.89Å; I243-D245 PolarHBondContact O-N 2.86Å; I243-M266 VanDerWaalsContact C-SD 3.6Å; I243-M266 CarbonylContact O-C 3.53Å; I243-M266 WeakPolarHBondContact O-CA 3.38Å; I243-I267 HydrophobicContact CG1-CG1 4.11Å; I243-I267 PolarHBondContact N-O 3.21Å; I243-I267 WeakPolarHBondContact O-CG1 3.36Å; I243-I267 PolarHBondContact O-N 2.62Å; I243-N269 HydrophobicContact CB-CB 4.5Å; I243-N269 HydrophobicContact CD1-CB 4.23Å; I243-N269 HydrophobicContact CG1-CB 4Å; I243-N269 HydrophobicContact CG2-CB 3.94Å |
| 244 | P | 83.3 | Confident | 78.5 | Confident | 68 Ų | 68 | 96.9 Ų | 96.9 | 44% | 0.442 | 51% | 0.507 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.2 | 135.9 | 172.6 | -17.7 | 29.8 | 0 | 0 | 0 | 110.1 | P246 P264 M266 | P244-P246 VanDerWaalsContact O-CD 3.31Å; P244-P246 WeakPolarHBondContact O-CD 3.16Å; P244-P264 HydrophobicContact CB-CB 4.02Å; P244-P264 HydrophobicContact CB-CG 3.84Å; P244-M266 HydrophobicContact CB-SD 4.37Å; P244-M266 HydrophobicContact CG-SD 3.86Å |
| 245 | D | 80.9 | Confident | 78.4 | Confident | 43 Ų | 43 | 97.7 Ų | 97.7 | 23% | 0.23 | 51% | 0.508 | C | S | . | . | trans | -60.8 | 114.7 | -179.6 | -173.3 | -13.2 | 0 | 0 | 0 | 110.8 | I243 D247 A248 P265 I267 | I243-D245 PolarHBondContact O-N 2.86Å; D245-D247 PolarHBondContact O-N 2.97Å; D245-D247 PolarHBondContact OD1-N 3.07Å; D245-A248 HydrophobicContact CB-CB 3.75Å; D245-A248 PolarHBondContact O-N 3.02Å; D245-A248 PolarHBondContact OD1-N 3.17Å; D245-P265 HydrophobicContact CB-CG 4.18Å; D245-P265 WeakPolarHBondContact CB-O 3.36Å; D245-P265 PolarHBondContact N-O 2.81Å; D245-I267 HydrophobicContact CB-CD1 4.16Å; D245-I267 HydrophobicContact CB-CG1 4.14Å; D245-I267 HydrophobicContact CB-CG2 3.8Å | ||
| 246 | P | 79.9 | Confident | 78.8 | Confident | 101 Ų | 101 | 92 Ų | 92 | 66% | 0.656 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.5 | -18.9 | -178.2 | 29.7 | -35 | 0 | 0 | 0 | 113.2 | P244 | P244-P246 VanDerWaalsContact O-CD 3.31Å; P244-P246 WeakPolarHBondContact O-CD 3.16Å |
| 247 | D | 78.1 | Confident | 79.1 | Confident | 144 Ų | 144 | 96 Ų | 96 | 77% | 0.77 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.2 | -8.2 | 179.3 | -70.5 | -40.6 | 0 | 0 | 0 | 112.4 | D245 K249 | D245-D247 PolarHBondContact O-N 2.97Å; D245-D247 PolarHBondContact OD1-N 3.07Å; D247-K249 PolarHBondContact O-N 2.88Å |
| 248 | A | 81.2 | Confident | 79.3 | Confident | 27 Ų | 27 | 100.6 Ų | 100.6 | 22% | 0.223 | 53% | 0.525 | C | S | . | . | trans | -67.5 | 124.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | D245 W262 P264 P265 | D245-A248 HydrophobicContact CB-CB 3.75Å; D245-A248 PolarHBondContact O-N 3.02Å; D245-A248 PolarHBondContact OD1-N 3.17Å; A248-W262 HydrophobicContact CB-CH2 4.02Å; A248-W262 HydrophobicContact CB-CZ2 4.29Å; A248-W262 WeakPolarHBondContact O-CH2 3.34Å; A248-P264 HydrophobicContact CB-CB 4.18Å; A248-P265 HydrophobicContact CB-CG 4.01Å | ||
| 249 | K | 78.9 | Confident | 79.4 | Confident | 183 Ų | 183 | 99.9 Ų | 99.9 | 80% | 0.796 | 52% | 0.521 | S | S | * | . | trans | -106.7 | 139.1 | 173.3 | -66.8 | 179.6 | -175.8 | 174 | 0 | 109 | D247 P251 | D247-K249 PolarHBondContact O-N 2.88Å; K249-P251 WeakPolarHBondContact O-CD 3.36Å | ||
| 250 | K | 78.7 | Confident | 79.6 | Confident | 72 Ų | 72 | 99.3 Ų | 99.3 | 31% | 0.313 | 53% | 0.528 | S | S | . | . | trans | -53.7 | 125.1 | 170.3 | -175.8 | 175.2 | 171.3 | 179 | 0 | 109.3 | W254 D256 W262 | K250-W254 VanDerWaalsContact CE-CG 3.48Å; K250-W254 HydrophobicContact CG-CB 4.08Å; K250-W254 HydrophobicContact CG-CG 4.3Å; K250-D256 IonicContact NZ-OD1 2.78Å; K250-D256 PolarHBondContact NZ-OD1 3.05Å; K250-D256 IonicContact NZ-OD2 2.89Å; K250-D256 PolarHBondContact NZ-OD2 3.27Å; K250-W262 HydrophobicContact CB-CD2 3.75Å; K250-W262 HydrophobicContact CB-CE3 3.73Å; K250-W262 HydrophobicContact CB-CG 4.23Å; K250-W262 HydrophobicContact CB-CH2 4.47Å; K250-W262 HydrophobicContact CB-CZ2 4.49Å; K250-W262 HydrophobicContact CB-CZ3 4.1Å; K250-W262 HydrophobicContact CD-CB 3.96Å; K250-W262 HydrophobicContact CD-CD2 4.48Å; K250-W262 HydrophobicContact CD-CG 4.22Å; K250-W262 HydrophobicContact CG-CB 4.08Å; K250-W262 HydrophobicContact CG-CD2 3.88Å; K250-W262 HydrophobicContact CG-CE3 4.24Å; K250-W262 HydrophobicContact CG-CG 3.8Å | ||
| 251 | P | 82.6 | Confident | 79.8 | Confident | 68 Ų | 68 | 104 Ų | 104 | 44% | 0.442 | 54% | 0.543 | S | S | . | . | trans | -58.5 | 143.1 | 175.8 | -24.3 | 34.3 | 0 | 0 | 0 | 111.2 | K249 D253 W254 | K249-P251 WeakPolarHBondContact O-CD 3.36Å; P251-D253 PolarHBondContact O-N 2.77Å; P251-D253 VanDerWaalsContact O-N 3.12Å; P251-W254 WeakPolarHBondContact O-CB 3.5Å; P251-W254 PolarHBondContact O-N 2.82Å | ||
| 252 | D | 79 | Confident | 79.8 | Confident | 181 Ų | 181 | 101.8 Ų | 101.8 | 97% | 0.968 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | -17.9 | -179 | -67.8 | -40.5 | 0 | 0 | 0 | 113.2 | ||
| 253 | D | 77.7 | Confident | 79.6 | Confident | 162 Ų | 162 | 106.2 Ų | 106.2 | 87% | 0.866 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.3 | 16.2 | -178.1 | -149.8 | 26.8 | 0 | 0 | 0 | 113.1 | P251 | P251-D253 PolarHBondContact O-N 2.77Å; P251-D253 VanDerWaalsContact O-N 3.12Å |
| 254 | W | 81.4 | Confident | 79.6 | Confident | 87 Ų | 87 | 106.1 Ų | 106.1 | 33% | 0.33 | 55% | 0.55 | S | S | . | * | trans | -90.7 | 126.8 | 179.8 | -175.4 | -72.3 | 0 | 0 | 0 | 112.6 | K250 P251 D256 D259 G260 W262 | K250-W254 VanDerWaalsContact CE-CG 3.48Å; K250-W254 HydrophobicContact CG-CB 4.08Å; K250-W254 HydrophobicContact CG-CG 4.3Å; P251-W254 WeakPolarHBondContact O-CB 3.5Å; P251-W254 PolarHBondContact O-N 2.82Å; W254-D256 VanDerWaalsContact CD1-OD1 3.29Å; W254-D256 PolarHBondContact NE1-OD1 2.81Å; W254-D259 HydrophobicContact CD2-CB 4.48Å; W254-D259 HydrophobicContact CH2-CB 4.37Å; W254-D259 HydrophobicContact CZ2-CB 3.91Å; W254-G260 PolarHBondContact NE1-O 2.77Å; W254-W262 HydrophobicContact CD2-CB 4.16Å; W254-W262 AromaticContact CD2-CD1 3.61Å; W254-W262 HydrophobicContact CD2-CG 4.23Å; W254-W262 AromaticContact CE2-CD1 3.77Å; W254-W262 AromaticContact CE3-CD1 3.66Å; W254-W262 HydrophobicContact CG-CB 4.33Å; W254-W262 HydrophobicContact CZ2-CB 4.13Å; W254-W262 AromaticContact CZ2-CD1 3.96Å; W254-W262 HydrophobicContact CZ2-CG 4.48Å; W254-W262 AromaticContact CZ3-CD1 3.87Å | ||
| 255 | D | 78.1 | Confident | 79.6 | Confident | 79 Ų | 79 | 106.4 Ų | 106.4 | 42% | 0.422 | 55% | 0.552 | S | S | . | * | trans | -108.1 | 108.6 | -179.9 | -171.2 | -33.9 | 0 | 0 | 0 | 111.4 | E257 M258 D259 | D255-E257 PolarHBondContact O-N 3.4Å; D255-E257 WeakPolarHBondContact OD1-CB 3.38Å; D255-E257 PolarHBondContact OD1-N 3.1Å; D255-M258 HydrophobicContact CB-CB 4.32Å; D255-M258 PolarHBondContact O-N 2.79Å; D255-M258 PolarHBondContact OD1-N 2.9Å; D255-D259 WeakPolarHBondContact O-CB 3.27Å; D255-D259 PolarHBondContact O-N 2.84Å | ||
| 256 | D | 81.8 | Confident | 79.8 | Confident | 84 Ų | 84 | 110.3 Ų | 110.3 | 45% | 0.449 | 57% | 0.57 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -66.2 | -20.8 | -177.1 | -64.3 | -39.7 | 0 | 0 | 0 | 113.8 | K250 W254 G260 | K250-D256 IonicContact NZ-OD1 2.78Å; K250-D256 PolarHBondContact NZ-OD1 3.05Å; K250-D256 IonicContact NZ-OD2 2.89Å; K250-D256 PolarHBondContact NZ-OD2 3.27Å; W254-D256 VanDerWaalsContact CD1-OD1 3.29Å; W254-D256 PolarHBondContact NE1-OD1 2.81Å; D256-G260 WeakPolarHBondContact O-CA 3.4Å; D256-G260 PolarHBondContact O-N 2.65Å |
| 257 | E | 76.4 | Confident | 79.8 | Confident | 188 Ų | 188 | 108.3 Ų | 108.3 | 88% | 0.879 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.2 | -26.7 | -178 | -150.8 | 174.9 | -163.1 | 0 | 0 | 111.6 | D255 | D255-E257 PolarHBondContact O-N 3.4Å; D255-E257 WeakPolarHBondContact OD1-CB 3.38Å; D255-E257 PolarHBondContact OD1-N 3.1Å |
| 258 | M | 77.3 | Confident | 79.9 | Confident | 160 Ų | 160 | 106.2 Ų | 106.2 | 79% | 0.788 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.2 | -37.2 | 179.5 | -66.2 | -73.1 | -117.4 | 0 | 0 | 113.5 | D255 | D255-M258 HydrophobicContact CB-CB 4.32Å; D255-M258 PolarHBondContact O-N 2.79Å; D255-M258 PolarHBondContact OD1-N 2.9Å |
| 259 | D | 75.5 | Confident | 79.8 | Confident | 102 Ų | 102 | 105.5 Ų | 105.5 | 55% | 0.545 | 54% | 0.539 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.9 | -11.2 | -173.3 | -60.1 | -44.1 | 0 | 0 | 0 | 113.9 | W254 D255 | W254-D259 HydrophobicContact CD2-CB 4.48Å; W254-D259 HydrophobicContact CH2-CB 4.37Å; W254-D259 HydrophobicContact CZ2-CB 3.91Å; D255-D259 WeakPolarHBondContact O-CB 3.27Å; D255-D259 PolarHBondContact O-N 2.84Å |
| 260 | G | 81.3 | Confident | 79.8 | Confident | 31 Ų | 31 | 102.2 Ų | 102.2 | 32% | 0.32 | 54% | 0.536 | S | S | . | . | trans | 90.8 | 176.7 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | W254 D256 W262 | W254-G260 PolarHBondContact NE1-O 2.77Å; D256-G260 WeakPolarHBondContact O-CA 3.4Å; D256-G260 PolarHBondContact O-N 2.65Å; G260-W262 PolarHBondContact O-N 2.71Å | ||
| 261 | E | 80.4 | Confident | 79.7 | Confident | 179 Ų | 179 | 102.6 Ų | 102.6 | 84% | 0.836 | 54% | 0.541 | S | S | * | . | S | Bend | trans | -61.6 | 122.1 | 176.7 | -73.6 | -170.2 | 166.6 | 0 | 0 | 110.1 | E263 | E261-E263 PolarHBondContact O-N 3.17Š|
| 262 | W | 80.8 | Confident | 79.6 | Confident | 63 Ų | 63 | 103.3 Ų | 103.3 | 24% | 0.239 | 54% | 0.536 | C | S | . | . | trans | -65.4 | 122.7 | 178.8 | -178.7 | 76.6 | 0 | 0 | 0 | 111.6 | A248 K250 W254 G260 P264 | A248-W262 HydrophobicContact CB-CH2 4.02Å; A248-W262 HydrophobicContact CB-CZ2 4.29Å; A248-W262 WeakPolarHBondContact O-CH2 3.34Å; K250-W262 HydrophobicContact CB-CD2 3.75Å; K250-W262 HydrophobicContact CB-CE3 3.73Å; K250-W262 HydrophobicContact CB-CG 4.23Å; K250-W262 HydrophobicContact CB-CH2 4.47Å; K250-W262 HydrophobicContact CB-CZ2 4.49Å; K250-W262 HydrophobicContact CB-CZ3 4.1Å; K250-W262 HydrophobicContact CD-CB 3.96Å; K250-W262 HydrophobicContact CD-CD2 4.48Å; K250-W262 HydrophobicContact CD-CG 4.22Å; K250-W262 HydrophobicContact CG-CB 4.08Å; K250-W262 HydrophobicContact CG-CD2 3.88Å; K250-W262 HydrophobicContact CG-CE3 4.24Å; K250-W262 HydrophobicContact CG-CG 3.8Å; W254-W262 HydrophobicContact CD2-CB 4.16Å; W254-W262 AromaticContact CD2-CD1 3.61Å; W254-W262 HydrophobicContact CD2-CG 4.23Å; W254-W262 AromaticContact CE2-CD1 3.77Å; W254-W262 AromaticContact CE3-CD1 3.66Å; W254-W262 HydrophobicContact CG-CB 4.33Å; W254-W262 HydrophobicContact CZ2-CB 4.13Å; W254-W262 AromaticContact CZ2-CD1 3.96Å; W254-W262 HydrophobicContact CZ2-CG 4.48Å; W254-W262 AromaticContact CZ3-CD1 3.87Å; G260-W262 PolarHBondContact O-N 2.71Å; W262-P264 HydrophobicContact CH2-CB 3.87Å; W262-P264 HydrophobicContact CH2-CG 4.17Å; W262-P264 HydrophobicContact CZ2-CB 4.44Å; W262-P264 HydrophobicContact CZ3-CB 4.21Å; W262-P264 HydrophobicContact CZ3-CG 3.99Å | ||
| 263 | E | 77.7 | Confident | 79.3 | Confident | 164 Ų | 164 | 100.4 Ų | 100.4 | 77% | 0.766 | 52% | 0.515 | S | S | * | . | trans | -106.7 | 132.4 | 172.2 | -66.4 | -171.2 | 167.4 | 0 | 0 | 110.6 | E261 | E261-E263 PolarHBondContact O-N 3.17Š| ||
| 264 | P | 81.2 | Confident | 79.2 | Confident | 43 Ų | 43 | 93.7 Ų | 93.7 | 28% | 0.279 | 48% | 0.484 | S | S | . | . | P | Polyproline II helix | trans | -63.9 | 148 | 177.4 | -3.5 | 12.1 | 0 | 0 | 0 | 111.5 | P244 A248 W262 M266 | P244-P264 HydrophobicContact CB-CB 4.02Å; P244-P264 HydrophobicContact CB-CG 3.84Å; A248-P264 HydrophobicContact CB-CB 4.18Å; W262-P264 HydrophobicContact CH2-CB 3.87Å; W262-P264 HydrophobicContact CH2-CG 4.17Å; W262-P264 HydrophobicContact CZ2-CB 4.44Å; W262-P264 HydrophobicContact CZ3-CB 4.21Å; W262-P264 HydrophobicContact CZ3-CG 3.99Å; P264-M266 PolarHBondContact O-N 2.66Å |
| 265 | P | 82.1 | Confident | 78.8 | Confident | 73 Ų | 73 | 97.7 Ų | 97.7 | 47% | 0.474 | 51% | 0.506 | S | S | . | . | P | Polyproline II helix | trans | -60 | 137.6 | 173.4 | 26.3 | -33.2 | 0 | 0 | 0 | 110.5 | D245 A248 I267 | D245-P265 HydrophobicContact CB-CG 4.18Å; D245-P265 WeakPolarHBondContact CB-O 3.36Å; D245-P265 PolarHBondContact N-O 2.81Å; A248-P265 HydrophobicContact CB-CG 4.01Å; P265-I267 PolarHBondContact O-N 2.8Å |
| 266 | M | 84.8 | Confident | 78.9 | Confident | 125 Ų | 125 | 96.8 Ų | 96.8 | 62% | 0.616 | 50% | 0.497 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 120.3 | 176.5 | -70.7 | -71.6 | -137.8 | 0 | 0 | 109.7 | N242 I243 P244 P264 | N242-M266 HydrophobicContact CB-CB 4.09Å; I243-M266 VanDerWaalsContact C-SD 3.6Å; I243-M266 CarbonylContact O-C 3.53Å; I243-M266 WeakPolarHBondContact O-CA 3.38Å; P244-M266 HydrophobicContact CB-SD 4.37Å; P244-M266 HydrophobicContact CG-SD 3.86Å; P264-M266 PolarHBondContact O-N 2.66Å |
| 267 | I | 81.1 | Confident | 78.7 | Confident | 60 Ų | 60 | 100.8 Ų | 100.8 | 31% | 0.308 | 51% | 0.51 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 152.3 | 173.8 | 58.9 | 168 | 0 | 0 | 0 | 110.4 | N242 I243 D245 P265 N269 | N242-I267 CarbonylContact C-O 3.55Å; N242-I267 VanDerWaalsContact CA-O 3.26Å; N242-I267 WeakPolarHBondContact CA-O 3.41Å; I243-I267 HydrophobicContact CG1-CG1 4.11Å; I243-I267 PolarHBondContact N-O 3.21Å; I243-I267 WeakPolarHBondContact O-CG1 3.36Å; I243-I267 PolarHBondContact O-N 2.62Å; D245-I267 HydrophobicContact CB-CD1 4.16Å; D245-I267 HydrophobicContact CB-CG1 4.14Å; D245-I267 HydrophobicContact CB-CG2 3.8Å; P265-I267 PolarHBondContact O-N 2.8Å; I267-N269 PolarHBondContact O-N 3.41Å |
| 268 | T | 81 | Confident | 78.8 | Confident | 100 Ų | 100 | 93.8 Ų | 93.8 | 61% | 0.613 | 48% | 0.481 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -61.2 | 124.3 | 174.4 | -53.3 | 0 | 0 | 0 | 0 | 109.4 | E241 P270 | E241-T268 WeakPolarHBondContact O-CA 3.2Å; T268-P270 VanDerWaalsContact O-CD 3.24Å; T268-P270 WeakPolarHBondContact O-CD 3.34Å |
| 269 | N | 79.1 | Confident | 79 | Confident | 12 Ų | 12 | 94.9 Ų | 94.9 | 6% | 0.064 | 48% | 0.477 | C | S | . | . | trans | -66.5 | 117.7 | -177.6 | -176 | -7.4 | 0 | 0 | 0 | 110.2 | P240 E241 I243 I267 D271 Y272 | P240-N269 WeakPolarHBondContact O-CB 3.49Å; P240-N269 PolarHBondContact O-ND2 2.81Å; E241-N269 PolarHBondContact O-N 3.24Å; I243-N269 HydrophobicContact CB-CB 4.5Å; I243-N269 HydrophobicContact CD1-CB 4.23Å; I243-N269 HydrophobicContact CG1-CB 4Å; I243-N269 HydrophobicContact CG2-CB 3.94Å; I267-N269 PolarHBondContact O-N 3.41Å; N269-D271 PolarHBondContact O-N 2.84Å; N269-D271 VanDerWaalsContact O-N 3.1Å; N269-D271 WeakPolarHBondContact OD1-CB 3.37Å; N269-D271 PolarHBondContact OD1-N 2.62Å; N269-Y272 WeakPolarHBondContact O-CB 3.29Å; N269-Y272 PolarHBondContact O-N 2.78Å | ||
| 270 | P | 78.1 | Confident | 79.5 | Confident | 113 Ų | 113 | 96.7 Ų | 96.7 | 73% | 0.734 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -23.5 | 178.5 | -23.3 | 34.6 | 0 | 0 | 0 | 113.5 | T268 | T268-P270 VanDerWaalsContact O-CD 3.24Å; T268-P270 WeakPolarHBondContact O-CD 3.34Å |
| 271 | D | 75.6 | Confident | 79.7 | Confident | 81 Ų | 81 | 98 Ų | 98 | 43% | 0.433 | 48% | 0.481 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | -0.4 | 178 | -70.1 | -23.1 | 0 | 0 | 0 | 113.7 | K239 N269 K273 | K239-D271 HydrophobicContact CD-CB 3.35Å; K239-D271 IonicContact NZ-OD2 2.77Å; K239-D271 PolarHBondContact NZ-OD2 3.48Å; N269-D271 PolarHBondContact O-N 2.84Å; N269-D271 VanDerWaalsContact O-N 3.1Å; N269-D271 WeakPolarHBondContact OD1-CB 3.37Å; N269-D271 PolarHBondContact OD1-N 2.62Å; D271-K273 PolarHBondContact O-N 3.34Å |
| 272 | Y | 80.4 | Confident | 79.9 | Confident | 83 Ų | 83 | 95.4 Ų | 95.4 | 33% | 0.325 | 47% | 0.473 | S | S | . | . | trans | -71.6 | 112.6 | 175.2 | 179.4 | -120 | 0 | 0 | 0 | 110.4 | K239 E241 N269 | K239-Y272 WeakPolarHBondContact O-CD2 3.34Å; E241-Y272 HydrophobicContact CB-CD1 4.07Å; E241-Y272 HydrophobicContact CB-CD2 4.37Å; E241-Y272 HydrophobicContact CB-CE1 3.92Å; E241-Y272 HydrophobicContact CB-CE2 4.25Å; E241-Y272 HydrophobicContact CB-CG 4.27Å; E241-Y272 HydrophobicContact CG-CD1 3.83Å; E241-Y272 HydrophobicContact CG-CE1 3.67Å; E241-Y272 HydrophobicContact CG-CG 4.48Å; N269-Y272 WeakPolarHBondContact O-CB 3.29Å; N269-Y272 PolarHBondContact O-N 2.78Å | ||
| 273 | K | 73.1 | Confident | 80 | Confident | 119 Ų | 119 | 93.1 Ų | 93.1 | 52% | 0.517 | 47% | 0.465 | S | S | . | . | trans | -97.8 | 9.5 | -175.6 | -65.7 | 172.7 | -174.2 | 170.3 | 0 | 113.5 | W237 D271 | W237-K273 HydrophobicContact CD2-CB 4.08Å; W237-K273 HydrophobicContact CD2-CD 4.23Å; W237-K273 HydrophobicContact CE3-CB 4.42Å; W237-K273 HydrophobicContact CE3-CD 3.81Å; W237-K273 HydrophobicContact CH2-CB 3.89Å; W237-K273 HydrophobicContact CH2-CD 4Å; W237-K273 HydrophobicContact CH2-CG 4.49Å; W237-K273 HydrophobicContact CZ2-CB 3.48Å; W237-K273 VanDerWaalsContact CZ2-CB 3.48Å; W237-K273 HydrophobicContact CZ2-CD 4.38Å; W237-K273 HydrophobicContact CZ3-CB 4.33Å; W237-K273 HydrophobicContact CZ3-CD 3.69Å; D271-K273 PolarHBondContact O-N 3.34Å | ||
| 274 | G | 75.6 | Confident | 80.2 | Confident | 22 Ų | 22 | 91.1 Ų | 91.1 | 23% | 0.227 | 47% | 0.466 | C | S | . | . | trans | 72.8 | -172.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | W237 W276 | W237-G274 PolarHBondContact NE1-O 2.79Å; G274-W276 PolarHBondContact O-N 3.08Å | ||
| 275 | E | 74.3 | Confident | 80.1 | Confident | 170 Ų | 170 | 91.4 Ų | 91.4 | 79% | 0.794 | 47% | 0.473 | S | S | * | . | S | Bend | trans | -61.5 | 121.3 | 177.1 | -67 | -171.8 | 156.7 | 0 | 0 | 111 | K277 | E275-K277 PolarHBondContact O-N 3.39Š|
| 276 | W | 79.1 | Confident | 80.2 | Confident | 61 Ų | 61 | 91.3 Ų | 91.3 | 23% | 0.231 | 46% | 0.463 | C | S | . | . | trans | -63.6 | 128.5 | 179.2 | -178.2 | 78.7 | 0 | 0 | 0 | 111.1 | D231 K232 K233 W237 G274 P278 | D231-W276 HydrophobicContact CB-CZ2 4.35Å; D231-W276 WeakPolarHBondContact O-CH2 3.38Å; K232-W276 VanDerWaalsContact C-CZ2 3.48Å; K233-W276 VanDerWaalsContact CA-CE2 3.49Å; K233-W276 HydrophobicContact CB-CD2 3.68Å; K233-W276 HydrophobicContact CB-CE3 3.8Å; K233-W276 HydrophobicContact CB-CG 4.07Å; K233-W276 HydrophobicContact CB-CH2 4.44Å; K233-W276 HydrophobicContact CB-CZ2 4.36Å; K233-W276 HydrophobicContact CB-CZ3 4.18Å; K233-W276 HydrophobicContact CD-CB 3.93Å; K233-W276 HydrophobicContact CD-CD2 4.4Å; K233-W276 HydrophobicContact CD-CE3 4.43Å; K233-W276 HydrophobicContact CD-CG 4.22Å; K233-W276 HydrophobicContact CG-CB 3.91Å; K233-W276 HydrophobicContact CG-CD2 3.88Å; K233-W276 HydrophobicContact CG-CE3 4.26Å; K233-W276 HydrophobicContact CG-CG 3.72Å; K233-W276 VanDerWaalsContact N-CZ2 3.28Å; W237-W276 HydrophobicContact CD2-CB 4.35Å; W237-W276 AromaticContact CD2-CD1 3.65Å; W237-W276 HydrophobicContact CD2-CG 4.38Å; W237-W276 AromaticContact CE2-CD1 3.74Å; W237-W276 HydrophobicContact CG-CB 4.08Å; W237-W276 AromaticContact CG-CD1 4Å; W237-W276 HydrophobicContact CG-CG 4.37Å; G274-W276 PolarHBondContact O-N 3.08Å; W276-P278 HydrophobicContact CH2-CB 3.58Å; W276-P278 HydrophobicContact CH2-CG 4.19Å; W276-P278 HydrophobicContact CZ2-CB 3.97Å; W276-P278 HydrophobicContact CZ3-CB 4.12Å; W276-P278 HydrophobicContact CZ3-CG 4.23Å | ||
| 277 | K | 77.3 | Confident | 79.9 | Confident | 167 Ų | 167 | 91 Ų | 91 | 73% | 0.726 | 46% | 0.458 | S | S | * | . | trans | -118.9 | 130.3 | 168.3 | -66.4 | -178.6 | -178.5 | 177.5 | 0 | 108.7 | E275 | E275-K277 PolarHBondContact O-N 3.39Š| ||
| 278 | P | 79.1 | Confident | 80 | Confident | 41 Ų | 41 | 89.1 Ų | 89.1 | 27% | 0.266 | 45% | 0.454 | S | S | . | . | P | Polyproline II helix | trans | -58.6 | 147.5 | 175.3 | 22.5 | -31.6 | 0 | 0 | 0 | 110.7 | P227 D231 W276 | P227-P278 HydrophobicContact CB-CB 4Å; P227-P278 HydrophobicContact CB-CG 3.43Å; P227-P278 VanDerWaalsContact CB-CG 3.43Å; D231-P278 HydrophobicContact CB-CB 4.39Å; W276-P278 HydrophobicContact CH2-CB 3.58Å; W276-P278 HydrophobicContact CH2-CG 4.19Å; W276-P278 HydrophobicContact CZ2-CB 3.97Å; W276-P278 HydrophobicContact CZ3-CB 4.12Å; W276-P278 HydrophobicContact CZ3-CG 4.23Å |
| 279 | R | 80.7 | Confident | 80 | Confident | 184 Ų | 184 | 92 Ų | 92 | 69% | 0.694 | 46% | 0.458 | S | S | * | . | P | Polyproline II helix | trans | -59.4 | 141.3 | 174.5 | -68.7 | 173.9 | 70 | 168 | 2.9 | 110.4 | D228 D231 | D228-R279 VanDerWaalsContact CB-O 3.26Å; D228-R279 WeakPolarHBondContact CB-O 3.34Å; D228-R279 PolarHBondContact N-O 3.1Å; D231-R279 VanDerWaalsContact OD2-CG 3.27Å; D231-R279 WeakPolarHBondContact OD2-CG 3.07Å; D231-R279 PolarHBondContact OD2-N 3.09Å |
| 280 | E | 86.7 | Confident | 80.3 | Confident | 140 Ų | 140 | 95 Ų | 95 | 65% | 0.654 | 47% | 0.469 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 128 | 174.9 | -67.4 | -174.8 | 162.9 | 0 | 0 | 110.3 | K225 I226 | K225-E280 HydrophobicContact CB-CB 4.16Å; K225-E280 HydrophobicContact CD-CB 4.16Å; I226-E280 WeakPolarHBondContact O-CA 3.37Å |
| 281 | I | 85.1 | Confident | 80.6 | Confident | 57 Ų | 57 | 95.4 Ų | 95.4 | 29% | 0.292 | 47% | 0.469 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 152 | 171.5 | 58 | 169.2 | 0 | 0 | 0 | 110 | K225 I226 D228 N283 | K225-I281 CarbonylContact C-O 3.58Å; K225-I281 VanDerWaalsContact CA-O 3.29Å; K225-I281 WeakPolarHBondContact CA-O 3.46Å; I226-I281 HydrophobicContact CG1-CD1 4.47Å; I226-I281 HydrophobicContact CG1-CG1 3.98Å; I226-I281 PolarHBondContact N-O 3.3Å; I226-I281 WeakPolarHBondContact O-CG1 3.41Å; I226-I281 PolarHBondContact O-N 3.13Å; D228-I281 HydrophobicContact CB-CD1 4.3Å; D228-I281 HydrophobicContact CB-CG1 4.21Å; D228-I281 HydrophobicContact CB-CG2 3.8Å; I281-N283 PolarHBondContact O-N 3.13Å |
| 282 | D | 85.3 | Confident | 81.1 | Confident | 125 Ų | 125 | 94.1 Ų | 94.1 | 67% | 0.668 | 46% | 0.46 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -62.2 | 128.2 | 173.8 | -62.7 | -35.8 | 0 | 0 | 0 | 109.2 | P284 | D282-P284 WeakPolarHBondContact O-CD 3.4Å |
| 283 | N | 83.2 | Confident | 81.5 | Confident | 16 Ų | 16 | 92.6 Ų | 92.6 | 9% | 0.086 | 46% | 0.46 | C | S | . | . | trans | -72.2 | 112.8 | -175.8 | -177.9 | 2.1 | 0 | 0 | 0 | 110.5 | D221 R223 E224 I226 I281 A285 Y286 | D221-N283 PolarHBondContact OD2-ND2 2.82Å; R223-N283 WeakPolarHBondContact O-CB 3.1Å; R223-N283 PolarHBondContact O-ND2 3.43Å; E224-N283 PolarHBondContact O-N 3.26Å; I226-N283 HydrophobicContact CD1-CB 4.29Å; I226-N283 HydrophobicContact CG1-CB 4.04Å; I226-N283 HydrophobicContact CG2-CB 3.93Å; I281-N283 PolarHBondContact O-N 3.13Å; N283-A285 PolarHBondContact O-N 3.41Å; N283-A285 VanDerWaalsContact O-N 3.09Å; N283-A285 WeakPolarHBondContact OD1-CB 3.26Å; N283-A285 PolarHBondContact OD1-N 2.94Å; N283-Y286 WeakPolarHBondContact O-CB 3.16Å; N283-Y286 PolarHBondContact O-N 2.86Å | ||
| 284 | P | 81.3 | Confident | 82.4 | Confident | 121 Ų | 121 | 93 Ų | 93 | 79% | 0.786 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -17.4 | -179.9 | -19.9 | 34.4 | 0 | 0 | 0 | 113.3 | D282 | D282-P284 WeakPolarHBondContact O-CD 3.4Š|
| 285 | A | 79.6 | Confident | 83.1 | Confident | 50 Ų | 50 | 94.8 Ų | 94.8 | 41% | 0.413 | 47% | 0.468 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | -2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | N283 K287 | N283-A285 PolarHBondContact O-N 3.41Å; N283-A285 VanDerWaalsContact O-N 3.09Å; N283-A285 WeakPolarHBondContact OD1-CB 3.26Å; N283-A285 PolarHBondContact OD1-N 2.94Å; A285-K287 PolarHBondContact O-N 2.79Å |
| 286 | Y | 84.5 | Confident | 83.9 | Confident | 71 Ų | 71 | 92.8 Ų | 92.8 | 28% | 0.278 | 46% | 0.462 | S | S | . | . | B | Isolated β-bridge | trans | -69.8 | 113.5 | 177.1 | -179.7 | -115 | 0 | 0 | 0 | 110.6 | D221 D222 E224 N283 G288 K289 | D221-Y286 WeakPolarHBondContact O-CD2 3.35Å; D222-Y286 WeakPolarHBondContact O-CE2 3.25Å; E224-Y286 HydrophobicContact CB-CE1 4.49Å; E224-Y286 HydrophobicContact CG-CD1 4.04Å; E224-Y286 HydrophobicContact CG-CD2 4.27Å; E224-Y286 HydrophobicContact CG-CE1 3.46Å; E224-Y286 VanDerWaalsContact CG-CE1 3.46Å; E224-Y286 HydrophobicContact CG-CE2 3.75Å; E224-Y286 HydrophobicContact CG-CG 4.4Å; E224-Y286 WeakPolarHBondContact CG-OH 3.28Å; E224-Y286 PolarHBondContact OE1-OH 2.96Å; N283-Y286 WeakPolarHBondContact O-CB 3.16Å; N283-Y286 PolarHBondContact O-N 2.86Å; Y286-G288 VanDerWaalsContact CZ-CA 3.41Å; Y286-K289 PolarHBondContact OH-N 2.76Å |
| 287 | K | 78.6 | Confident | 84.5 | Confident | 117 Ų | 117 | 90.7 Ų | 90.7 | 51% | 0.509 | 46% | 0.456 | S | S | . | . | trans | -97.5 | 10.9 | 179.2 | -64.4 | 171.8 | -172.6 | 167 | 0 | 112.5 | D219 W220 A285 | D219-K287 IonicContact OD2-NZ 3.33Å; D219-K287 PolarHBondContact OD2-NZ 2.92Å; W220-K287 HydrophobicContact CD2-CB 4.3Å; W220-K287 HydrophobicContact CD2-CD 4.45Å; W220-K287 HydrophobicContact CE3-CB 4.28Å; W220-K287 HydrophobicContact CE3-CD 3.85Å; W220-K287 HydrophobicContact CH2-CB 3.45Å; W220-K287 VanDerWaalsContact CH2-CB 3.45Å; W220-K287 HydrophobicContact CH2-CD 4.17Å; W220-K287 HydrophobicContact CH2-CG 4.45Å; W220-K287 HydrophobicContact CZ2-CB 3.45Å; W220-K287 VanDerWaalsContact CZ2-CB 3.45Å; W220-K287 WeakPolarHBondContact CZ2-O 3.1Å; W220-K287 HydrophobicContact CZ3-CB 3.88Å; W220-K287 HydrophobicContact CZ3-CD 3.69Å; W220-K287 HydrophobicContact CZ3-CG 4.44Å; A285-K287 PolarHBondContact O-N 2.79Å | ||
| 288 | G | 81.5 | Confident | 85.1 | Confident | 22 Ų | 22 | 87.7 Ų | 87.7 | 23% | 0.227 | 45% | 0.454 | C | S | . | . | trans | 93 | 165.5 | -168.7 | 0 | 0 | 0 | 0 | 0 | 112 | W220 Y286 W290 | W220-G288 VanDerWaalsContact CE2-O 3.31Å; W220-G288 WeakPolarHBondContact CZ2-O 3.48Å; W220-G288 PolarHBondContact NE1-O 2.95Å; Y286-G288 VanDerWaalsContact CZ-CA 3.41Å; G288-W290 PolarHBondContact O-N 3.33Å | ||
| 289 | K | 82.3 | Confident | 85.5 | Confident | 161 Ų | 161 | 92.7 Ų | 92.7 | 70% | 0.7 | 47% | 0.473 | S | S | * | . | S | Bend | trans | -62 | 127.8 | 173.4 | -173 | 175.2 | -178.1 | 176.8 | 0 | 109.9 | Y286 V291 | Y286-K289 PolarHBondContact OH-N 2.76Å; K289-V291 PolarHBondContact O-N 3.15Å; K289-V291 VanDerWaalsContact O-N 3.15Å |
| 290 | W | 84.1 | Confident | 86 | Confident | 74 Ų | 74 | 86.6 Ų | 86.6 | 28% | 0.28 | 45% | 0.451 | S | S | . | . | P | Polyproline II helix | trans | -58.5 | 120.6 | 177.7 | 178.8 | -107.2 | 0 | 0 | 0 | 111.1 | K216 P217 W220 D222 G288 | K216-W290 HydrophobicContact CB-CG 4.18Å; K216-W290 HydrophobicContact CD-CB 4.12Å; K216-W290 HydrophobicContact CD-CG 4.33Å; K216-W290 HydrophobicContact CG-CB 4.02Å; K216-W290 HydrophobicContact CG-CD2 4.35Å; K216-W290 HydrophobicContact CG-CG 3.77Å; P217-W290 HydrophobicContact CG-CH2 4.14Å; P217-W290 HydrophobicContact CG-CZ3 4.13Å; W220-W290 HydrophobicContact CD2-CB 4.43Å; W220-W290 HydrophobicContact CD2-CD2 4.48Å; W220-W290 AromaticContact CD2-CE3 3.65Å; W220-W290 HydrophobicContact CD2-CE3 3.65Å; W220-W290 HydrophobicContact CD2-CZ3 4.35Å; W220-W290 AromaticContact CE2-CE3 3.82Å; W220-W290 AromaticContact CE3-CE3 3.61Å; W220-W290 HydrophobicContact CE3-CE3 3.61Å; W220-W290 AromaticContact CE3-CZ3 3.84Å; W220-W290 HydrophobicContact CE3-CZ3 3.84Å; W220-W290 HydrophobicContact CG-CB 4.26Å; W220-W290 HydrophobicContact CG-CE3 4.34Å; W220-W290 AromaticContact CH2-CE3 3.9Å; W220-W290 HydrophobicContact CH2-CE3 3.9Å; W220-W290 HydrophobicContact CH2-CZ3 4.15Å; W220-W290 AromaticContact CZ2-CE3 3.95Å; W220-W290 HydrophobicContact CZ2-CE3 3.95Å; W220-W290 AromaticContact CZ3-CE3 3.74Å; W220-W290 HydrophobicContact CZ3-CE3 3.74Å; W220-W290 AromaticContact CZ3-CZ3 3.73Å; W220-W290 HydrophobicContact CZ3-CZ3 3.73Å; D222-W290 PolarHBondContact OD1-N 2.59Å; G288-W290 PolarHBondContact O-N 3.33Å |
| 291 | V | 85.4 | Confident | 86.1 | Confident | 121 Ų | 121 | 85 Ų | 85 | 73% | 0.733 | 45% | 0.45 | S | S | * | . | P | Polyproline II helix | trans | -102.7 | 122.9 | 171.9 | -177.5 | 0 | 0 | 0 | 0 | 107.8 | K289 | K289-V291 PolarHBondContact O-N 3.15Å; K289-V291 VanDerWaalsContact O-N 3.15Å |
| 292 | H | 86.9 | Confident | 86.3 | Confident | 55 Ų | 55 | 85 Ų | 85 | 26% | 0.255 | 46% | 0.459 | S | S | . | . | P | Polyproline II helix | trans | -64.9 | 126.1 | 179.8 | -166.6 | -63.4 | 0 | 0 | 0 | 110 | K210 D211 A214 | K210-H292 HydrophobicContact CD-CB 4.22Å; K210-H292 HydrophobicContact CG-CB 4.44Å; D211-H292 PolarHBondContact N-CE1 3.29Å; D211-H292 VanDerWaalsContact N-CE1 3.34Å; D211-H292 PolarHBondContact O-CE1 2.81Å; A214-H292 PolarHBondContact O-NE2 2.82Å |
| 293 | P | 88.7 | Confident | 86.7 | Confident | 51 Ų | 51 | 80.8 Ų | 80.8 | 33% | 0.331 | 44% | 0.436 | S | S | . | . | P | Polyproline II helix | trans | -63.8 | 144.2 | -177.7 | 26.3 | -33.9 | 0 | 0 | 0 | 110.9 | D211 A214 | D211-P293 HydrophobicContact CB-CG 4.13Å; D211-P293 PolarHBondContact N-O 2.76Å; A214-P293 HydrophobicContact CB-CG 3.29Å |
| 294 | E | 91.3 | Very high | 87.2 | Confident | 126 Ų | 126 | 84.5 Ų | 84.5 | 59% | 0.589 | 46% | 0.461 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 132.4 | 175.5 | -62 | -175.7 | 144.7 | 0 | 0 | 109.3 | K208 I209 | K208-E294 HydrophobicContact CB-CB 4.32Å; K208-E294 HydrophobicContact CD-CB 4.41Å; I209-E294 CarbonylContact O-C 3.58Å; I209-E294 WeakPolarHBondContact O-CA 3.38Å |
| 295 | I | 90.2 | Very high | 87.8 | Confident | 61 Ų | 61 | 82.5 Ų | 82.5 | 31% | 0.313 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 158.4 | 176 | 59.4 | 169.8 | 0 | 0 | 0 | 109.8 | K208 I209 D211 N297 | K208-I295 CarbonylContact C-O 3.45Å; K208-I295 VanDerWaalsContact CA-O 3.29Å; K208-I295 WeakPolarHBondContact CA-O 3.41Å; I209-I295 HydrophobicContact CG1-CD1 4.47Å; I209-I295 HydrophobicContact CG1-CG1 3.94Å; I209-I295 PolarHBondContact N-O 2.87Å; I209-I295 PolarHBondContact O-N 3.11Å; D211-I295 HydrophobicContact CB-CD1 4.29Å; D211-I295 HydrophobicContact CB-CG1 4.27Å; D211-I295 HydrophobicContact CB-CG2 3.87Å; I295-N297 PolarHBondContact O-N 2.9Å |
| 296 | D | 91.4 | Very high | 88.6 | Confident | 127 Ų | 127 | 80.5 Ų | 80.5 | 68% | 0.679 | 42% | 0.424 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -62.4 | 134.5 | 173.6 | -63 | -30.3 | 0 | 0 | 0 | 109.8 | P298 | D296-P298 WeakPolarHBondContact O-CD 3.38Å |
| 297 | N | 91.4 | Very high | 89.1 | Confident | 18 Ų | 18 | 77.9 Ų | 77.9 | 10% | 0.096 | 41% | 0.414 | C | S | . | . | trans | -75.4 | 117.9 | -177.6 | -175.1 | 0.2 | 0 | 0 | 0 | 110.2 | P205 P206 K207 I209 I295 E299 Y300 | P205-N297 WeakPolarHBondContact CB-ND2 3.37Å; P206-N297 WeakPolarHBondContact O-CB 3.38Å; P206-N297 PolarHBondContact O-ND2 2.91Å; K207-N297 PolarHBondContact O-N 3.05Å; I209-N297 HydrophobicContact CG1-CB 4.28Å; I209-N297 HydrophobicContact CG2-CB 3.97Å; I295-N297 PolarHBondContact O-N 2.9Å; N297-E299 PolarHBondContact O-N 2.82Å; N297-E299 WeakPolarHBondContact OD1-CB 3.3Å; N297-E299 PolarHBondContact OD1-N 2.94Å; N297-Y300 WeakPolarHBondContact O-CB 3.49Å; N297-Y300 PolarHBondContact O-N 2.94Å | ||
| 298 | P | 89.5 | Confident | 90 | Very high | 104 Ų | 104 | 74.2 Ų | 74.2 | 68% | 0.675 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -21.3 | 178.7 | 27.2 | -35.3 | 0 | 0 | 0 | 113.2 | D296 | D296-P298 WeakPolarHBondContact O-CD 3.38Š|
| 299 | E | 88.6 | Confident | 90.7 | Very high | 146 Ų | 146 | 74 Ų | 74 | 68% | 0.682 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.7 | -10.1 | 177.1 | -59.7 | -65.2 | 130.7 | 0 | 0 | 112.8 | P205 N297 | P205-E299 HydrophobicContact CG-CB 4.47Å; N297-E299 PolarHBondContact O-N 2.82Å; N297-E299 WeakPolarHBondContact OD1-CB 3.3Å; N297-E299 PolarHBondContact OD1-N 2.94Å |
| 300 | Y | 89.9 | Confident | 91.4 | Very high | 56 Ų | 56 | 72.2 Ų | 72.2 | 22% | 0.22 | 39% | 0.388 | C | S | . | . | trans | -77.7 | 126.9 | 176.8 | 173 | -98.9 | 0 | 0 | 0 | 110.3 | E198 L204 P205 K207 N297 A302 | E198-Y300 PolarHBondContact OE2-OH 2.76Å; L204-Y300 HydrophobicContact CB-CD2 4.3Å; L204-Y300 HydrophobicContact CB-CE2 4.23Å; L204-Y300 HydrophobicContact CD1-CE2 3.83Å; P205-Y300 WeakPolarHBondContact O-CD2 3.47Å; K207-Y300 HydrophobicContact CD-CE2 4.45Å; K207-Y300 WeakPolarHBondContact CE-OH 3.46Å; K207-Y300 HydrophobicContact CG-CD1 4.36Å; K207-Y300 HydrophobicContact CG-CD2 3.95Å; K207-Y300 HydrophobicContact CG-CE1 4.1Å; K207-Y300 HydrophobicContact CG-CE2 3.67Å; K207-Y300 HydrophobicContact CG-CG 4.3Å; N297-Y300 WeakPolarHBondContact O-CB 3.49Å; N297-Y300 PolarHBondContact O-N 2.94Å; Y300-A302 HydrophobicContact CE1-CB 4.28Å | ||
| 301 | T | 89.6 | Confident | 92 | Very high | 105 Ų | 105 | 69.9 Ų | 69.9 | 64% | 0.644 | 38% | 0.383 | S | S | * | . | trans | -134.4 | 123.4 | 168.6 | -62.1 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 302 | A | 89.5 | Confident | 92.6 | Very high | 57 Ų | 57 | 64.1 Ų | 64.1 | 47% | 0.471 | 35% | 0.348 | S | S | . | . | trans | -64.6 | 137.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | Y300 | Y300-A302 HydrophobicContact CE1-CB 4.28Š| ||
| 303 | D | 92.8 | Very high | 93.1 | Very high | 37 Ų | 37 | 61.5 Ų | 61.5 | 20% | 0.198 | 34% | 0.336 | C | S | . | . | trans | -122.7 | 104.2 | 179.7 | -172.3 | -10.8 | 0 | 0 | 0 | 109.7 | Y151 N181 L204 E305 I306 | Y151-D303 PolarHBondContact OH-OD2 3.01Å; N181-D303 PolarHBondContact ND2-O 2.76Å; L204-D303 HydrophobicContact CD2-CB 4.46Å; D303-E305 PolarHBondContact O-N 2.91Å; D303-E305 PolarHBondContact OD1-N 2.77Å; D303-I306 HydrophobicContact CB-CD1 4.19Å; D303-I306 HydrophobicContact CB-CG1 3.84Å; D303-I306 WeakPolarHBondContact O-CD1 3.38Å; D303-I306 WeakPolarHBondContact O-CG1 3.29Å | ||
| 304 | P | 93.7 | Very high | 93.6 | Very high | 94 Ų | 94 | 59 Ų | 59 | 61% | 0.61 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.2 | -6.4 | -179.9 | 32.5 | -35.4 | 0 | 0 | 0 | 113.2 | Y307 | P304-Y307 WeakPolarHBondContact O-CE1 3.46Š|
| 305 | E | 94.5 | Very high | 93.9 | Very high | 80 Ų | 80 | 53.1 Ų | 53.1 | 37% | 0.374 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.6 | 20.8 | -176.6 | -62.4 | -163.4 | 141.3 | 0 | 0 | 112.8 | K88 D303 Y307 K308 | K88-E305 WeakPolarHBondContact CE-OE1 3.24Å; K88-E305 IonicContact NZ-OE1 3.46Å; D303-E305 PolarHBondContact O-N 2.91Å; D303-E305 PolarHBondContact OD1-N 2.77Å; E305-Y307 VanDerWaalsContact C-N 3.26Å; E305-Y307 PolarHBondContact O-N 2.77Å; E305-K308 HydrophobicContact CB-CB 4.19Å; E305-K308 HydrophobicContact CB-CD 4.22Å; E305-K308 HydrophobicContact CG-CD 4.39Å; E305-K308 VanDerWaalsContact O-CB 3.3Å; E305-K308 WeakPolarHBondContact O-CB 3.16Å; E305-K308 PolarHBondContact O-N 2.76Å; E305-K308 IonicContact OE2-NZ 2.81Å |
| 306 | I | 95.2 | Very high | 94.3 | Very high | 7 Ų | 7 | 50.2 Ų | 50.2 | 4% | 0.036 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -39.7 | 177.3 | -65 | 165.1 | 0 | 0 | 0 | 111.6 | Y151 N181 L197 E198 F203 L204 D303 K308 | Y151-I306 HydrophobicContact CD2-CG2 4.37Å; Y151-I306 HydrophobicContact CE2-CG1 4Å; N181-I306 PolarHBondContact OD1-N 3.46Å; L197-I306 HydrophobicContact CB-CG2 4.25Å; L197-I306 HydrophobicContact CD1-CG2 4.17Å; E198-I306 HydrophobicContact CG-CD1 3.65Å; F203-I306 HydrophobicContact CB-CD1 4.48Å; F203-I306 HydrophobicContact CD1-CG2 4.39Å; F203-I306 HydrophobicContact CD2-CD1 4.39Å; F203-I306 HydrophobicContact CD2-CG2 3.67Å; F203-I306 HydrophobicContact CE1-CG2 4.39Å; F203-I306 HydrophobicContact CE2-CG2 3.67Å; F203-I306 HydrophobicContact CG-CG2 4.04Å; F203-I306 HydrophobicContact CZ-CG2 4.05Å; L204-I306 HydrophobicContact CD1-CD1 4.18Å; L204-I306 HydrophobicContact CG-CD1 4.42Å; D303-I306 HydrophobicContact CB-CD1 4.19Å; D303-I306 HydrophobicContact CB-CG1 3.84Å; D303-I306 WeakPolarHBondContact O-CD1 3.38Å; D303-I306 WeakPolarHBondContact O-CG1 3.29Å; I306-K308 PolarHBondContact O-N 3.43Å |
| 307 | Y | 96.1 | Very high | 94.6 | Very high | 16 Ų | 16 | 44.2 Ų | 44.2 | 6% | 0.063 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -20.4 | 178.8 | 77.3 | -85.7 | 0 | 0 | 0 | 114.2 | N87 G89 P179 N181 P304 E305 | N87-Y307 PolarHBondContact ND2-O 2.94Å; N87-Y307 WeakPolarHBondContact O-CE2 3.45Å; G89-Y307 PolarHBondContact N-OH 3.13Å; P179-Y307 VanDerWaalsContact CA-CZ 3.47Å; P179-Y307 HydrophobicContact CB-CE1 4.25Å; P179-Y307 HydrophobicContact CB-CE2 3.92Å; P179-Y307 HydrophobicContact CG-CE2 4.3Å; P179-Y307 WeakPolarHBondContact O-CE1 3.49Å; N181-Y307 WeakPolarHBondContact OD1-CD1 3.34Å; N181-Y307 PolarHBondContact OD1-N 2.76Å; P304-Y307 WeakPolarHBondContact O-CE1 3.46Å; E305-Y307 VanDerWaalsContact C-N 3.26Å; E305-Y307 PolarHBondContact O-N 2.77Å |
| 308 | K | 96.9 | Very high | 94.9 | Very high | 41 Ų | 41 | 43.8 Ų | 43.8 | 18% | 0.178 | 24% | 0.243 | C | C | . | . | trans | -87.6 | 131.1 | -163.1 | 178 | -160.8 | 157.1 | -129.2 | 0 | 111 | N87 K88 E305 I306 D310 | N87-K308 WeakPolarHBondContact OD1-CA 3.45Å; K88-K308 HydrophobicContact CB-CD 4.2Å; K88-K308 HydrophobicContact CB-CG 4.03Å; K88-K308 HydrophobicContact CD-CD 4.18Å; K88-K308 HydrophobicContact CG-CD 3.95Å; K88-K308 HydrophobicContact CG-CG 4.27Å; E305-K308 HydrophobicContact CB-CB 4.19Å; E305-K308 HydrophobicContact CB-CD 4.22Å; E305-K308 HydrophobicContact CG-CD 4.39Å; E305-K308 VanDerWaalsContact O-CB 3.3Å; E305-K308 WeakPolarHBondContact O-CB 3.16Å; E305-K308 PolarHBondContact O-N 2.76Å; E305-K308 IonicContact OE2-NZ 2.81Å; I306-K308 PolarHBondContact O-N 3.43Å; K308-D310 WeakPolarHBondContact CE-OD1 3.44Å; K308-D310 IonicContact NZ-OD1 3.76Å; K308-D310 PolarHBondContact NZ-OD1 3.27Å; K308-D310 IonicContact NZ-OD2 2.73Å | ||
| 309 | Y | 97.3 | Very high | 95.2 | Very high | 18 Ų | 18 | 39 Ų | 39 | 7% | 0.071 | 21% | 0.212 | C | C | . | . | trans | -115.2 | 136.3 | 167.4 | -68.2 | -80.7 | 0 | 0 | 0 | 110.4 | S86 N87 N130 I131 F149 N150 | S86-Y309 WeakPolarHBondContact CB-O 3.2Å; S86-Y309 PolarHBondContact OG-O 3.08Å; N87-Y309 PolarHBondContact OD1-N 2.06Å; N87-Y309 PolarHBondContact OD1-O 2.88Å; N130-Y309 HydrophobicContact CB-CD1 3.5Å; N130-Y309 HydrophobicContact CB-CE1 3.56Å; N130-Y309 HydrophobicContact CB-CG 4.04Å; N130-Y309 VanDerWaalsContact CG-CD1 3.43Å; N130-Y309 PolarHBondContact O-OH 3.2Å; N130-Y309 VanDerWaalsContact O-OH 3.05Å; I131-Y309 HydrophobicContact CD1-CD2 4.1Å; I131-Y309 HydrophobicContact CD1-CE2 3.68Å; I131-Y309 HydrophobicContact CG1-CD2 4.33Å; I131-Y309 HydrophobicContact CG1-CE2 3.62Å; F149-Y309 HydrophobicContact CD1-CE2 4.19Å; F149-Y309 WeakPolarHBondContact CD1-OH 3.21Å; N150-Y309 PolarHBondContact N-OH 3.11Å; N150-Y309 WeakPolarHBondContact O-CE1 3.23Å; N150-Y309 PolarHBondContact O-OH 3.35Å | ||
| 310 | D | 95.9 | Very high | 95.6 | Very high | 122 Ų | 122 | 36.1 Ų | 36.1 | 65% | 0.652 | 20% | 0.195 | S | C | * | . | S | Bend | trans | -76.9 | -28.5 | -177.8 | -68.5 | -48.7 | 0 | 0 | 0 | 112.9 | K308 | K308-D310 WeakPolarHBondContact CE-OD1 3.44Å; K308-D310 IonicContact NZ-OD1 3.76Å; K308-D310 PolarHBondContact NZ-OD1 3.27Å; K308-D310 IonicContact NZ-OD2 2.73Å |
| 311 | S | 96.9 | Very high | 95.9 | Very high | 25 Ų | 25 | 33.4 Ų | 33.4 | 18% | 0.175 | 18% | 0.184 | C | C | . | . | trans | -147 | 129 | -179.8 | 170.1 | 0 | 0 | 0 | 0 | 110.5 | D84 F85 P115 S116 N130 | D84-S311 WeakPolarHBondContact OD1-CA 3.39Å; D84-S311 WeakPolarHBondContact OD1-CB 3.49Å; D84-S311 PolarHBondContact OD1-OG 3Å; D84-S311 PolarHBondContact OD2-OG 2.95Å; F85-S311 CarbonylContact O-C 3.43Å; P115-S311 WeakPolarHBondContact CA-O 3.32Å; S116-S311 WeakPolarHBondContact CB-OG 3.47Å; S116-S311 PolarHBondContact N-OG 3.18Å; S116-S311 PolarHBondContact OG-OG 3.43Å; N130-S311 PolarHBondContact ND2-O 2.98Å | ||
| 312 | I | 98.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 120.1 | 172.5 | -55.7 | 173.3 | 0 | 0 | 0 | 106.2 | F82 D84 F85 L92 L113 | F82-I312 HydrophobicContact CE2-CG2 4.23Å; F82-I312 HydrophobicContact CZ-CG2 4.01Å; D84-I312 PolarHBondContact OD1-N 3.38Å; F85-I312 HydrophobicContact CD1-CB 4.26Å; F85-I312 WeakPolarHBondContact CD1-O 3.16Å; F85-I312 HydrophobicContact CE1-CB 3.92Å; F85-I312 HydrophobicContact CE1-CG2 3.85Å; F85-I312 HydrophobicContact CE2-CD1 4.21Å; F85-I312 HydrophobicContact CZ-CB 4.15Å; F85-I312 HydrophobicContact CZ-CD1 4.07Å; F85-I312 HydrophobicContact CZ-CG2 4.12Å; F85-I312 PolarHBondContact N-O 2.66Å; F85-I312 PolarHBondContact O-N 2.76Å; L92-I312 HydrophobicContact CD1-CD1 4.34Å; L92-I312 HydrophobicContact CD2-CD1 3.81Å; L113-I312 HydrophobicContact CB-CG2 4.45Å; L113-I312 HydrophobicContact CD1-CG2 4.22Å |
| 313 | G | 97.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156 | 1.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | R81 F82 F114 S116 | R81-G313 WeakPolarHBondContact CA-O 3.41Å; F82-G313 VanDerWaalsContact CE2-CA 3.43Å; F82-G313 PolarHBondContact N-O 3.11Å; F114-G313 PolarHBondContact O-N 3.46Å; F114-G313 VanDerWaalsContact O-N 3.15Å; S116-G313 VanDerWaalsContact OG-CA 3.29Å; S116-G313 WeakPolarHBondContact OG-CA 3.42Å |
| 314 | V | 98.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 131.1 | 175.1 | 178.4 | 0 | 0 | 0 | 0 | 109.5 | A80 R81 F114 L118 Q120 | A80-V314 WeakPolarHBondContact O-CA 3.46Å; R81-V314 HydrophobicContact CB-CG2 4.22Å; R81-V314 HydrophobicContact CG-CG2 4.2Å; F114-V314 HydrophobicContact CB-CB 4.1Å; F114-V314 HydrophobicContact CD2-CG1 4.34Å; F114-V314 PolarHBondContact N-O 2.96Å; F114-V314 PolarHBondContact O-N 3.17Å; L118-V314 HydrophobicContact CD2-CB 4.39Å; L118-V314 HydrophobicContact CD2-CG1 3.9Å; Q120-V314 HydrophobicContact CG-CG1 4.1Å; Q120-V314 HydrophobicContact CG-CG2 4.43Å |
| 315 | I | 98.6 | Very high | 96.9 | Very high | 2 Ų | 2 | 27.4 Ų | 27.4 | 1% | 0.01 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 135.4 | 166.7 | -177.3 | 169.9 | 0 | 0 | 0 | 107.9 | F24 W38 S79 A80 F82 I111 L113 F331 I333 | F24-I315 HydrophobicContact CD1-CG2 4.18Å; F24-I315 HydrophobicContact CE1-CD1 4.29Å; F24-I315 HydrophobicContact CE1-CG2 3.71Å; F24-I315 HydrophobicContact CE2-CG2 4.37Å; F24-I315 HydrophobicContact CZ-CG2 3.81Å; W38-I315 HydrophobicContact CH2-CG2 4.37Å; S79-I315 CarbonylContact C-O 3.42Å; S79-I315 WeakPolarHBondContact CA-O 3.27Å; S79-I315 WeakPolarHBondContact CB-O 3.4Å; A80-I315 HydrophobicContact CB-CG2 3.89Å; A80-I315 PolarHBondContact N-O 2.8Å; A80-I315 PolarHBondContact O-N 3.3Å; F82-I315 HydrophobicContact CD1-CG2 4.4Å; F82-I315 HydrophobicContact CE1-CB 4.07Å; F82-I315 HydrophobicContact CE1-CG2 4.1Å; I111-I315 HydrophobicContact CB-CD1 4.46Å; I111-I315 HydrophobicContact CB-CG1 4.39Å; I111-I315 HydrophobicContact CD1-CD1 3.85Å; I111-I315 HydrophobicContact CD1-CG1 4.43Å; I111-I315 HydrophobicContact CG2-CD1 4.37Å; L113-I315 HydrophobicContact CD2-CB 3.96Å; L113-I315 HydrophobicContact CD2-CD1 4.36Å; L113-I315 HydrophobicContact CD2-CG1 3.96Å; I315-F331 HydrophobicContact CD1-CD1 3.71Å; I315-F331 HydrophobicContact CD1-CE1 4.3Å; I315-F331 HydrophobicContact CD1-CG 4.39Å; I315-I333 HydrophobicContact CD1-CD1 4.5Å |
| 316 | G | 98.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 144.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | L78 K112 | L78-G316 CarbonylContact O-C 3.55Å; L78-G316 WeakPolarHBondContact O-CA 3.35Å; K112-G316 PolarHBondContact N-O 3.21Å; K112-G316 PolarHBondContact O-N 3.06Å |
| 317 | L | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 98.2 | 168.5 | -67.8 | 166.5 | 0 | 0 | 0 | 106.8 | W38 F50 L67 A77 L78 I111 L319 F328 F331 | W38-L317 HydrophobicContact CH2-CD1 4.26Å; W38-L317 HydrophobicContact CZ3-CD1 3.96Å; W38-L317 HydrophobicContact CZ3-CG 4.33Å; F50-L317 HydrophobicContact CE1-CD1 4.28Å; F50-L317 HydrophobicContact CZ-CB 4.08Å; F50-L317 HydrophobicContact CZ-CD1 4.14Å; L67-L317 HydrophobicContact CD1-CD1 3.98Å; A77-L317 CarbonylContact C-O 3.29Å; A77-L317 WeakPolarHBondContact CA-O 3.32Å; L78-L317 PolarHBondContact N-O 3.43Å; L78-L317 PolarHBondContact O-N 2.81Å; I111-L317 HydrophobicContact CG2-CD2 3.71Å; L317-L319 HydrophobicContact CB-CD2 4.13Å; L317-L319 HydrophobicContact CD2-CD2 4.04Å; L317-F328 HydrophobicContact CD2-CD1 3.81Å; L317-F328 HydrophobicContact CD2-CD2 4.45Å; L317-F328 HydrophobicContact CD2-CE1 3.87Å; L317-F328 HydrophobicContact CD2-CG 4.11Å; L317-F328 HydrophobicContact CD2-CZ 4.23Å; L317-F331 HydrophobicContact CD1-CZ 4.14Å; L317-F331 HydrophobicContact CD2-CE1 4.46Å; L317-F331 HydrophobicContact CD2-CZ 4.45Å |
| 318 | D | 97.1 | Very high | 97.3 | Very high | 10 Ų | 10 | 22.9 Ų | 22.9 | 5% | 0.053 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 98.8 | 175.4 | 173.5 | 63.1 | 0 | 0 | 0 | 108.9 | Y76 Y110 K112 M123 G125 | Y76-D318 CarbonylContact O-C 3.57Å; Y76-D318 VanDerWaalsContact O-CA 3.24Å; Y76-D318 WeakPolarHBondContact O-CA 3.31Å; Y110-D318 WeakPolarHBondContact CE2-O 3.44Å; K112-D318 HydrophobicContact CD-CB 4.25Å; K112-D318 IonicContact NZ-OD2 3.22Å; K112-D318 PolarHBondContact NZ-OD2 3.09Å; M123-D318 HydrophobicContact CE-CB 4.16Å; G125-D318 WeakPolarHBondContact CA-OD2 3.38Å; G125-D318 PolarHBondContact N-OD2 2.75Å |
| 319 | L | 96.4 | Very high | 97.4 | Very high | 2 Ų | 2 | 21.2 Ų | 21.2 | 1% | 0.01 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 152.2 | -165.1 | 51.6 | 96.6 | 0 | 0 | 0 | 112.5 | T69 F75 Y76 L317 Q321 F328 | T69-L319 HydrophobicContact CG2-CD1 4.21Å; F75-L319 CarbonylContact C-O 3.59Å; F75-L319 WeakPolarHBondContact CA-O 3.23Å; Y76-L319 HydrophobicContact CD2-CD1 4.01Å; Y76-L319 HydrophobicContact CG-CD1 4.18Å; Y76-L319 PolarHBondContact N-O 3.42Å; Y76-L319 PolarHBondContact O-N 2.88Å; L317-L319 HydrophobicContact CB-CD2 4.13Å; L317-L319 HydrophobicContact CD2-CD2 4.04Å; L319-Q321 HydrophobicContact CD1-CG 3.7Å; L319-F328 HydrophobicContact CD2-CE1 4.3Å; L319-F328 HydrophobicContact CD2-CE2 4.07Å; L319-F328 HydrophobicContact CD2-CZ 3.56Å |
| 320 | W | 96.6 | Very high | 97.4 | Very high | 86 Ų | 86 | 20.9 Ų | 20.9 | 33% | 0.326 | 11% | 0.108 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 135.9 | 171.4 | 169.2 | -104.5 | 0 | 0 | 0 | 109.1 | A73 R74 F75 G107 G108 V322 | A73-W320 VanDerWaalsContact C-CZ3 3.4Å; A73-W320 HydrophobicContact CB-CH2 3.95Å; A73-W320 HydrophobicContact CB-CZ2 4.3Å; A73-W320 VanDerWaalsContact O-CH2 3.25Å; A73-W320 WeakPolarHBondContact O-CH2 3.23Å; A73-W320 WeakPolarHBondContact O-CZ3 3.28Å; R74-W320 VanDerWaalsContact C-CZ3 3.47Å; F75-W320 HydrophobicContact CD1-CB 3.9Å; F75-W320 AromaticContact CD1-CE3 3.99Å; F75-W320 HydrophobicContact CD1-CE3 3.99Å; F75-W320 AromaticContact CD2-CE3 3.48Å; F75-W320 HydrophobicContact CD2-CE3 3.48Å; F75-W320 VanDerWaalsContact CD2-CE3 3.48Å; F75-W320 AromaticContact CD2-CZ3 3.74Å; F75-W320 HydrophobicContact CD2-CZ3 3.74Å; F75-W320 HydrophobicContact CE1-CB 3.72Å; F75-W320 HydrophobicContact CE1-CD2 4.33Å; F75-W320 AromaticContact CE1-CE3 3.98Å; F75-W320 HydrophobicContact CE1-CE3 3.98Å; F75-W320 HydrophobicContact CE1-CG 4.27Å; F75-W320 HydrophobicContact CE2-CD2 4.33Å; F75-W320 AromaticContact CE2-CE3 3.46Å; F75-W320 HydrophobicContact CE2-CE3 3.46Å; F75-W320 VanDerWaalsContact CE2-CE3 3.46Å; F75-W320 AromaticContact CE2-CZ3 3.73Å; F75-W320 HydrophobicContact CE2-CZ3 3.73Å; F75-W320 AromaticContact CG-CE3 3.74Å; F75-W320 HydrophobicContact CG-CE3 3.74Å; F75-W320 HydrophobicContact CG-CZ3 4.39Å; F75-W320 HydrophobicContact CZ-CB 4.39Å; F75-W320 HydrophobicContact CZ-CD2 4.18Å; F75-W320 AromaticContact CZ-CE3 3.71Å; F75-W320 HydrophobicContact CZ-CE3 3.71Å; F75-W320 HydrophobicContact CZ-CG 4.47Å; F75-W320 HydrophobicContact CZ-CZ3 4.38Å; G107-W320 CarbonylContact C-O 3.59Å; G107-W320 WeakPolarHBondContact CA-O 3.16Å; G108-W320 PolarHBondContact N-O 2.87Å; W320-V322 HydrophobicContact CZ2-CG2 4.25Å |
| 321 | Q | 97 | Very high | 97.5 | Very high | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 8% | 0.077 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 130.4 | 169.6 | -60.9 | -163.7 | -18.8 | 0 | 0 | 110.7 | T69 A73 R74 I104 G108 L319 T326 | T69-Q321 PolarHBondContact OG1-OE1 2.61Å; A73-Q321 VanDerWaalsContact CA-O 3.26Å; A73-Q321 WeakPolarHBondContact CA-O 3.15Å; A73-Q321 PolarHBondContact N-O 3.28Å; A73-Q321 VanDerWaalsContact N-O 3.11Å; R74-Q321 PolarHBondContact N-O 2.58Å; R74-Q321 PolarHBondContact O-N 3.05Å; R74-Q321 VanDerWaalsContact O-N 3.13Å; I104-Q321 HydrophobicContact CD1-CG 4.49Å; G108-Q321 PolarHBondContact O-NE2 3.11Å; L319-Q321 HydrophobicContact CD1-CG 3.7Å; Q321-T326 VanDerWaalsContact NE2-CB 3.34Å; Q321-T326 PolarHBondContact NE2-OG1 3.35Å; Q321-T326 PolarHBondContact OE1-OG1 3.32Å; Q321-T326 VanDerWaalsContact OE1-OG1 3.05Å |
| 322 | V | 95.6 | Very high | 97.6 | Very high | 51 Ų | 51 | 14 Ų | 14 | 31% | 0.309 | 7% | 0.069 | S | C | . | . | S | Bend | trans | -74.1 | -56.5 | 170.7 | 178.5 | 0 | 0 | 0 | 0 | 109 | D72 A73 C106 W320 | D72-V322 CarbonylContact C-O 3.59Å; D72-V322 VanDerWaalsContact CA-O 3.3Å; D72-V322 WeakPolarHBondContact CA-O 3.24Å; D72-V322 VanDerWaalsContact CB-O 3.28Å; D72-V322 WeakPolarHBondContact CB-O 3.46Å; A73-V322 PolarHBondContact N-O 3.38Å; C106-V322 HydrophobicContact CB-CB 4.42Å; C106-V322 HydrophobicContact CB-CG2 3.86Å; C106-V322 WeakPolarHBondContact O-CB 3.41Å; C106-V322 WeakPolarHBondContact O-CG2 3.43Å; C106-V322 PolarHBondContact O-N 3.34Å; W320-V322 HydrophobicContact CZ2-CG2 4.25Å |
| 323 | K | 96.3 | Very high | 97.6 | Very high | 90 Ų | 90 | 14 Ų | 14 | 39% | 0.391 | 7% | 0.069 | S | C | . | . | S | Bend | trans | -102.5 | 117.6 | 173.6 | -161.4 | -178.3 | -176.9 | -178.5 | 0 | 111 | Q102 | Q102-K323 HydrophobicContact CB-CD 4.19Å; Q102-K323 HydrophobicContact CB-CG 4.32Å; Q102-K323 HydrophobicContact CG-CB 4.26Å; Q102-K323 HydrophobicContact CG-CD 3.96Å; Q102-K323 HydrophobicContact CG-CG 3.88Å; Q102-K323 PolarHBondContact NE2-O 3.03Å; Q102-K323 WeakPolarHBondContact O-CD 3.23Å; Q102-K323 WeakPolarHBondContact O-CE 3.42Å; Q102-K323 PolarHBondContact O-NZ 3.29Å |
| 324 | S | 96.6 | Very high | 97.6 | Very high | 18 Ų | 18 | 14 Ų | 14 | 13% | 0.126 | 7% | 0.069 | C | C | . | . | trans | -80.7 | 163.3 | 178.7 | 66.4 | 0 | 0 | 0 | 0 | 112.4 | T69 Q71 D72 Q102 | T69-S324 WeakPolarHBondContact O-CB 3.5Å; Q71-S324 VanDerWaalsContact C-CB 3.41Å; Q71-S324 VanDerWaalsContact C-OG 3.28Å; Q71-S324 PolarHBondContact N-OG 2.89Å; Q71-S324 WeakPolarHBondContact O-CB 3.37Å; D72-S324 PolarHBondContact N-OG 2.93Å; D72-S324 VanDerWaalsContact OD1-CB 3.32Å; D72-S324 WeakPolarHBondContact OD1-CB 3.24Å; D72-S324 PolarHBondContact OD1-N 3.41Å; D72-S324 PolarHBondContact OD1-OG 3.42Å; Q102-S324 VanDerWaalsContact CB-O 3.29Å; Q102-S324 WeakPolarHBondContact CB-O 3.23Å; Q102-S324 WeakPolarHBondContact CG-O 3.26Å | ||
| 325 | G | 96.9 | Very high | 97.6 | Very high | 7 Ų | 7 | 14.3 Ų | 14.3 | 7% | 0.072 | 7% | 0.071 | C | C | . | . | trans | 129.1 | -3.2 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q68 T69 Q102 I327 | Q68-G325 PolarHBondContact NE2-O 3.35Å; T69-G325 WeakPolarHBondContact O-CA 3.31Å; T69-G325 PolarHBondContact O-N 3.05Å; T69-G325 PolarHBondContact OG1-N 2.81Å; Q102-G325 PolarHBondContact OE1-O 3Å; G325-I327 PolarHBondContact O-N 3.1Å | ||
| 326 | T | 98.2 | Very high | 97.5 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 129 | 178.8 | -55.7 | 0 | 0 | 0 | 0 | 109.7 | Q68 T69 V98 K99 H100 Q102 Q321 F328 | Q68-T326 CarbonylContact C-O 3.58Å; Q68-T326 VanDerWaalsContact CA-O 3.27Å; Q68-T326 WeakPolarHBondContact CA-O 3.42Å; T69-T326 PolarHBondContact N-O 2.68Å; T69-T326 PolarHBondContact OG1-N 3.15Å; T69-T326 VanDerWaalsContact OG1-N 3.08Å; V98-T326 HydrophobicContact CG1-CG2 3.56Å; K99-T326 CarbonylContact O-C 3.53Å; K99-T326 VanDerWaalsContact O-CA 3.26Å; K99-T326 WeakPolarHBondContact O-CA 3.16Å; H100-T326 VanDerWaalsContact CE1-CG2 3.48Å; H100-T326 WeakPolarHBondContact CE1-CG2 3.44Å; H100-T326 VanDerWaalsContact ND1-CG2 3.3Å; H100-T326 WeakPolarHBondContact ND1-CG2 3.34Å; H100-T326 PolarHBondContact ND1-OG1 2.77Å; Q102-T326 VanDerWaalsContact NE2-N 3.18Å; Q102-T326 PolarHBondContact NE2-OG1 3.39Å; Q321-T326 VanDerWaalsContact NE2-CB 3.34Å; Q321-T326 PolarHBondContact NE2-OG1 3.35Å; Q321-T326 PolarHBondContact OE1-OG1 3.32Å; Q321-T326 VanDerWaalsContact OE1-OG1 3.05Å; T326-F328 HydrophobicContact CG2-CD2 4.13Å; T326-F328 HydrophobicContact CG2-CE1 4.41Å; T326-F328 HydrophobicContact CG2-CE2 3.55Å; T326-F328 HydrophobicContact CG2-CZ 3.72Å |
| 327 | I | 98.4 | Very high | 97.4 | Very high | 8 Ų | 8 | 18.1 Ų | 18.1 | 4% | 0.041 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 129 | 177.5 | -55 | 173.9 | 0 | 0 | 0 | 108.7 | L67 Q68 V98 K99 G325 | L67-I327 WeakPolarHBondContact O-CA 3.47Å; Q68-I327 HydrophobicContact CB-CG1 3.87Å; Q68-I327 HydrophobicContact CG-CD1 4.41Å; Q68-I327 HydrophobicContact CG-CG1 3.64Å; V98-I327 WeakPolarHBondContact CA-O 3.33Å; K99-I327 HydrophobicContact CB-CB 4.32Å; K99-I327 HydrophobicContact CD-CD1 4.39Å; K99-I327 PolarHBondContact N-O 2.88Å; K99-I327 PolarHBondContact O-N 3.06Å; G325-I327 PolarHBondContact O-N 3.1Å |
| 328 | F | 98.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 133.4 | 172.9 | -58.3 | -99.7 | 0 | 0 | 0 | 110.6 | F50 G66 L67 F96 T97 V98 L317 L319 T326 F331 | F50-F328 HydrophobicContact CE1-CD2 4.43Å; F50-F328 HydrophobicContact CE1-CE2 4.46Å; G66-F328 CarbonylContact C-O 3.52Å; G66-F328 WeakPolarHBondContact CA-O 3.07Å; L67-F328 PolarHBondContact N-O 2.79Å; L67-F328 PolarHBondContact O-N 2.82Å; F96-F328 HydrophobicContact CD2-CD1 4.28Å; F96-F328 HydrophobicContact CE2-CD1 4.22Å; F96-F328 HydrophobicContact CE2-CE1 4.44Å; T97-F328 WeakPolarHBondContact O-CA 3.44Å; V98-F328 HydrophobicContact CG1-CD1 4.39Å; V98-F328 HydrophobicContact CG1-CE1 4.16Å; V98-F328 HydrophobicContact CG2-CD1 3.87Å; V98-F328 HydrophobicContact CG2-CE1 4.01Å; L317-F328 HydrophobicContact CD2-CD1 3.81Å; L317-F328 HydrophobicContact CD2-CD2 4.45Å; L317-F328 HydrophobicContact CD2-CE1 3.87Å; L317-F328 HydrophobicContact CD2-CG 4.11Å; L317-F328 HydrophobicContact CD2-CZ 4.23Å; L319-F328 HydrophobicContact CD2-CE1 4.3Å; L319-F328 HydrophobicContact CD2-CE2 4.07Å; L319-F328 HydrophobicContact CD2-CZ 3.56Å; T326-F328 HydrophobicContact CG2-CD2 4.13Å; T326-F328 HydrophobicContact CG2-CE1 4.41Å; T326-F328 HydrophobicContact CG2-CE2 3.55Å; T326-F328 HydrophobicContact CG2-CZ 3.72Å; F328-F331 HydrophobicContact CB-CE1 4.38Å; F328-F331 HydrophobicContact CB-CE2 4.12Å; F328-F331 HydrophobicContact CB-CZ 3.52Å; F328-F331 HydrophobicContact CG-CZ 4.42Å |
| 329 | D | 98.2 | Very high | 97.2 | Very high | 6 Ų | 6 | 26 Ų | 26 | 3% | 0.032 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 178.6 | 179.6 | -168.5 | 20.8 | 0 | 0 | 0 | 112.2 | Q27 F28 T97 F331 | Q27-D329 WeakPolarHBondContact CA-OD1 3.42Å; F28-D329 VanDerWaalsContact CD2-OD1 3.28Å; F28-D329 WeakPolarHBondContact CD2-OD1 3.35Å; T97-D329 PolarHBondContact N-O 2.75Å; T97-D329 PolarHBondContact O-N 3.34Å; T97-D329 VanDerWaalsContact O-N 3.13Å; T97-D329 PolarHBondContact OG1-O 3.5Å; D329-F331 VanDerWaalsContact C-N 3.28Å; D329-F331 PolarHBondContact O-N 2.94Å; D329-F331 VanDerWaalsContact O-N 3.17Å |
| 330 | N | 97.8 | Very high | 97.2 | Very high | 11 Ų | 11 | 26 Ų | 26 | 6% | 0.059 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 53.7 | 41.1 | 170.1 | -40.5 | 126.7 | 0 | 0 | 0 | 113.3 | E26 T97 L332 T347 | E26-N330 CarbonylContact O-C 3.56Å; E26-N330 WeakPolarHBondContact O-CA 3.37Å; T97-N330 HydrophobicContact CG2-CB 4.09Å; T97-N330 VanDerWaalsContact CG2-OD1 3.3Å; T97-N330 WeakPolarHBondContact CG2-OD1 3.44Å; T97-N330 PolarHBondContact OG1-OD1 3Å; N330-L332 PolarHBondContact O-N 2.66Å; N330-T347 HydrophobicContact CB-CG2 4.34Å |
| 331 | F | 98.6 | Very high | 97.2 | Very high | 1 Ų | 1 | 25.9 Ų | 25.9 | 0% | 0.004 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.6 | 133.9 | 177.1 | -58.8 | -86.4 | 0 | 0 | 0 | 110.1 | F24 R25 E26 F28 W38 Q95 F96 I111 I315 L317 F328 D329 | F24-F331 HydrophobicContact CD1-CB 4.18Å; F24-F331 HydrophobicContact CE1-CB 3.71Å; F24-F331 HydrophobicContact CE1-CG 4.42Å; R25-F331 VanDerWaalsContact CA-O 3.28Å; R25-F331 WeakPolarHBondContact CA-O 3.17Å; E26-F331 HydrophobicContact CB-CB 4.21Å; E26-F331 HydrophobicContact CB-CD2 4.17Å; E26-F331 HydrophobicContact CG-CD2 4.27Å; E26-F331 PolarHBondContact N-O 3.24Å; E26-F331 PolarHBondContact O-N 2.85Å; F28-F331 AromaticContact CE2-CD2 3.95Å; F28-F331 HydrophobicContact CE2-CD2 3.95Å; F28-F331 AromaticContact CE2-CE2 3.7Å; F28-F331 HydrophobicContact CE2-CE2 3.7Å; F28-F331 HydrophobicContact CZ-CD2 4.05Å; F28-F331 AromaticContact CZ-CE2 3.71Å; F28-F331 HydrophobicContact CZ-CE2 3.71Å; W38-F331 HydrophobicContact CH2-CD2 4.32Å; W38-F331 HydrophobicContact CH2-CE1 4.47Å; W38-F331 AromaticContact CH2-CE2 3.99Å; W38-F331 HydrophobicContact CH2-CE2 3.99Å; W38-F331 HydrophobicContact CH2-CZ 4.04Å; W38-F331 HydrophobicContact CZ2-CD2 4.06Å; W38-F331 AromaticContact CZ2-CE2 3.97Å; W38-F331 HydrophobicContact CZ2-CE2 3.97Å; W38-F331 HydrophobicContact CZ2-CZ 4.49Å; Q95-F331 CarbonylContact O-C 3.56Å; Q95-F331 WeakPolarHBondContact O-CA 3.31Å; F96-F331 HydrophobicContact CB-CD1 3.57Å; F96-F331 HydrophobicContact CB-CE1 3.98Å; F96-F331 HydrophobicContact CB-CG 4.25Å; F96-F331 HydrophobicContact CD2-CE1 4.26Å; F96-F331 HydrophobicContact CG-CD1 4.29Å; F96-F331 HydrophobicContact CG-CE1 4.35Å; I111-F331 HydrophobicContact CG2-CD1 4.36Å; I111-F331 HydrophobicContact CG2-CE1 3.77Å; I315-F331 HydrophobicContact CD1-CD1 3.71Å; I315-F331 HydrophobicContact CD1-CE1 4.3Å; I315-F331 HydrophobicContact CD1-CG 4.39Å; L317-F331 HydrophobicContact CD1-CZ 4.14Å; L317-F331 HydrophobicContact CD2-CE1 4.46Å; L317-F331 HydrophobicContact CD2-CZ 4.45Å; F328-F331 HydrophobicContact CB-CE1 4.38Å; F328-F331 HydrophobicContact CB-CE2 4.12Å; F328-F331 HydrophobicContact CB-CZ 3.52Å; F328-F331 HydrophobicContact CG-CZ 4.42Å; D329-F331 VanDerWaalsContact C-N 3.28Å; D329-F331 PolarHBondContact O-N 2.94Å; D329-F331 VanDerWaalsContact O-N 3.17Å |
| 332 | L | 98.5 | Very high | 97.2 | Very high | 2 Ų | 2 | 31.5 Ų | 31.5 | 1% | 0.01 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 128.1 | 178.6 | 177.5 | 72.5 | 0 | 0 | 0 | 109.5 | V22 F24 R25 Q95 N330 A334 A340 V343 | V22-L332 HydrophobicContact CG1-CD1 3.71Å; V22-L332 HydrophobicContact CG2-CD1 4.39Å; F24-L332 CarbonylContact O-C 3.55Å; F24-L332 WeakPolarHBondContact O-CA 3.41Å; R25-L332 HydrophobicContact CB-CD1 4.39Å; R25-L332 HydrophobicContact CG-CD1 4.48Å; Q95-L332 HydrophobicContact CB-CB 4.23Å; Q95-L332 PolarHBondContact N-O 3.29Å; Q95-L332 PolarHBondContact O-N 3.49Å; N330-L332 PolarHBondContact O-N 2.66Å; L332-A334 HydrophobicContact CD1-CB 4.47Å; L332-A334 HydrophobicContact CG-CB 4.39Å; L332-A340 HydrophobicContact CD2-CB 3.99Å; L332-V343 HydrophobicContact CD2-CB 4.02Å; L332-V343 HydrophobicContact CD2-CG1 4.1Å; L332-V343 HydrophobicContact CD2-CG2 4.22Å |
| 333 | I | 98.4 | Very high | 97.2 | Very high | 1 Ų | 1 | 29.6 Ų | 29.6 | 1% | 0.005 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 120.9 | 167.6 | -52.4 | 175.5 | 0 | 0 | 0 | 107.4 | Y23 F24 F82 F85 L92 V93 L113 I315 | Y23-I333 HydrophobicContact CD2-CG2 4.22Å; Y23-I333 PolarHBondContact N-O 2.96Å; F24-I333 HydrophobicContact CB-CB 3.99Å; F24-I333 HydrophobicContact CB-CD1 3.97Å; F24-I333 HydrophobicContact CB-CG1 4.04Å; F24-I333 HydrophobicContact CD1-CD1 4.29Å; F24-I333 HydrophobicContact CD1-CG1 4.36Å; F24-I333 HydrophobicContact CG-CD1 4.45Å; F24-I333 PolarHBondContact N-O 3.22Å; F24-I333 PolarHBondContact O-N 3.42Å; F82-I333 HydrophobicContact CE1-CD1 3.78Å; F82-I333 HydrophobicContact CZ-CD1 3.65Å; F85-I333 HydrophobicContact CE1-CG2 4.12Å; F85-I333 HydrophobicContact CZ-CG2 3.76Å; L92-I333 HydrophobicContact CD1-CG2 3.85Å; V93-I333 CarbonylContact O-C 3.5Å; V93-I333 VanDerWaalsContact O-CA 3.31Å; V93-I333 WeakPolarHBondContact O-CA 3.49Å; L113-I333 HydrophobicContact CD1-CD1 4.37Å; L113-I333 HydrophobicContact CD2-CD1 3.61Å; I315-I333 HydrophobicContact CD1-CD1 4.5Å |
| 334 | A | 97.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 177.4 | -173.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | S21 V93 L332 | S21-A334 VanDerWaalsContact O-CA 3.29Å; S21-A334 WeakPolarHBondContact O-CA 3.22Å; S21-A334 WeakPolarHBondContact O-CB 3.37Å; V93-A334 PolarHBondContact N-O 3.15Å; V93-A334 PolarHBondContact O-N 2.73Å; L332-A334 HydrophobicContact CD1-CB 4.47Å; L332-A334 HydrophobicContact CG-CB 4.39Å |
| 335 | N | 96.9 | Very high | 97.3 | Very high | 6 Ų | 6 | 28.1 Ų | 28.1 | 3% | 0.032 | 14% | 0.142 | C | C | . | . | S | Bend | trans | -111.3 | -3.2 | 174.2 | 69.1 | -3.9 | 0 | 0 | 0 | 115 | E19 S20 S21 Y23 Q90 P91 | E19-N335 PolarHBondContact O-ND2 3.34Å; S20-N335 WeakPolarHBondContact CA-OD1 3.49Å; S21-N335 PolarHBondContact N-OD1 3.46Å; S21-N335 PolarHBondContact O-N 3.47Å; S21-N335 PolarHBondContact O-OD1 3.32Å; Y23-N335 HydrophobicContact CE2-CB 3.87Å; Y23-N335 WeakPolarHBondContact OH-CB 3.37Å; Y23-N335 PolarHBondContact OH-ND2 2.97Å; Q90-N335 HydrophobicContact CB-CB 4.46Å; Q90-N335 PolarHBondContact OE1-ND2 3.1Å; P91-N335 WeakPolarHBondContact CB-O 3.45Å; P91-N335 WeakPolarHBondContact O-CA 3.45Å; P91-N335 VanDerWaalsContact O-CB 3.29Å; P91-N335 WeakPolarHBondContact O-CB 3.06Å |
| 336 | D | 96.6 | Very high | 97.3 | Very high | 46 Ų | 46 | 33 Ų | 33 | 25% | 0.246 | 16% | 0.163 | C | C | . | . | trans | -115.8 | 113.5 | -179.8 | -168.7 | -17.7 | 0 | 0 | 0 | 111.2 | K338 V339 A340 | D336-K338 PolarHBondContact O-N 2.7Å; D336-K338 WeakPolarHBondContact OD1-CB 3.41Å; D336-K338 PolarHBondContact OD1-N 3.34Å; D336-V339 HydrophobicContact CB-CB 4.26Å; D336-V339 HydrophobicContact CB-CG2 4.09Å; D336-V339 PolarHBondContact O-N 3.31Å; D336-A340 PolarHBondContact O-N 2.93Å | ||
| 337 | P | 95.7 | Very high | 97.2 | Very high | 36 Ų | 36 | 33.6 Ų | 33.6 | 23% | 0.234 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -57.3 | -28.5 | 175.1 | -27.5 | 36.2 | 0 | 0 | 0 | 114.4 | V93 I176 A340 E341 | V93-P337 HydrophobicContact CG2-CB 4.47Å; V93-P337 HydrophobicContact CG2-CG 3.95Å; I176-P337 HydrophobicContact CD1-CB 3.94Å; I176-P337 HydrophobicContact CD1-CG 4.38Å; I176-P337 HydrophobicContact CG1-CB 4.46Å; I176-P337 HydrophobicContact CG2-CG 3.93Å; P337-A340 PolarHBondContact O-N 3.32Å; P337-E341 PolarHBondContact O-N 3.12Å |
| 338 | K | 96.2 | Very high | 97.1 | Very high | 145 Ų | 145 | 34.2 Ų | 34.2 | 63% | 0.63 | 17% | 0.168 | S | C | * | . | H | α-helix | trans | -71.2 | -42.4 | 179.3 | -65.3 | 179.7 | 179.7 | 175.3 | 0 | 111.6 | D336 A340 E341 E342 | D336-K338 PolarHBondContact O-N 2.7Å; D336-K338 WeakPolarHBondContact OD1-CB 3.41Å; D336-K338 PolarHBondContact OD1-N 3.34Å; K338-A340 VanDerWaalsContact C-N 3.27Å; K338-A340 PolarHBondContact O-N 3.48Å; K338-E341 PolarHBondContact O-N 2.94Å; K338-E342 WeakPolarHBondContact O-CG 3.45Å; K338-E342 PolarHBondContact O-N 3.34Å |
| 339 | V | 95.6 | Very high | 97 | Very high | 31 Ų | 31 | 34.9 Ų | 34.9 | 19% | 0.188 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -62.2 | -39.5 | 175.3 | 171.6 | 0 | 0 | 0 | 0 | 110.5 | S20 V22 D336 E342 V343 | S20-V339 VanDerWaalsContact OG-CG2 3.23Å; S20-V339 WeakPolarHBondContact OG-CG2 3.4Å; V22-V339 HydrophobicContact CG2-CG1 4.34Å; D336-V339 HydrophobicContact CB-CB 4.26Å; D336-V339 HydrophobicContact CB-CG2 4.09Å; D336-V339 PolarHBondContact O-N 3.31Å; V339-E342 PolarHBondContact O-N 3.39Å; V339-V343 HydrophobicContact CG1-CG2 4.29Å; V339-V343 WeakPolarHBondContact O-CB 3.19Å; V339-V343 VanDerWaalsContact O-CG2 3.26Å; V339-V343 WeakPolarHBondContact O-CG2 3.42Å; V339-V343 PolarHBondContact O-N 3.02Å |
| 340 | A | 96.3 | Very high | 96.9 | Very high | 1 Ų | 1 | 40.8 Ų | 40.8 | 1% | 0.008 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -63.1 | -43.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | V93 Q95 L332 D336 P337 K338 V343 G344 | V93-A340 HydrophobicContact CB-CB 4.49Å; V93-A340 HydrophobicContact CG1-CB 3.43Å; V93-A340 VanDerWaalsContact CG1-CB 3.43Å; Q95-A340 PolarHBondContact NE2-O 3.18Å; Q95-A340 PolarHBondContact OE1-O 3.28Å; L332-A340 HydrophobicContact CD2-CB 3.99Å; D336-A340 PolarHBondContact O-N 2.93Å; P337-A340 PolarHBondContact O-N 3.32Å; K338-A340 VanDerWaalsContact C-N 3.27Å; K338-A340 PolarHBondContact O-N 3.48Å; A340-V343 PolarHBondContact O-N 2.97Å; A340-G344 PolarHBondContact O-N 2.88Å |
| 341 | E | 97.1 | Very high | 96.7 | Very high | 83 Ų | 83 | 40.9 Ų | 40.9 | 39% | 0.388 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -63 | -44.5 | 176.3 | -176.6 | 171.4 | 179.5 | 0 | 0 | 112.3 | K186 N189 P337 K338 G344 N345 | K186-E341 IonicContact NZ-OE2 3.73Å; N189-E341 PolarHBondContact ND2-O 3.18Å; N189-E341 VanDerWaalsContact ND2-O 3.13Å; P337-E341 PolarHBondContact O-N 3.12Å; K338-E341 PolarHBondContact O-N 2.94Å; E341-G344 PolarHBondContact O-N 3.1Å; E341-N345 VanDerWaalsContact O-CG 3.27Å; E341-N345 PolarHBondContact O-N 2.88Å; E341-N345 PolarHBondContact O-ND2 3.09Å; E341-N345 VanDerWaalsContact O-ND2 3.11Å |
| 342 | E | 96.9 | Very high | 96.6 | Very high | 119 Ų | 119 | 44 Ų | 44 | 56% | 0.556 | 22% | 0.216 | S | C | * | . | H | α-helix | trans | -59.8 | -51.1 | 175 | -73.5 | 175.7 | -175.9 | 0 | 0 | 111.3 | K338 V339 G344 N345 E346 | K338-E342 WeakPolarHBondContact O-CG 3.45Å; K338-E342 PolarHBondContact O-N 3.34Å; V339-E342 PolarHBondContact O-N 3.39Å; E342-G344 VanDerWaalsContact C-N 3.32Å; E342-G344 PolarHBondContact O-N 3.31Å; E342-N345 PolarHBondContact O-N 2.82Å; E342-N345 VanDerWaalsContact O-N 3.16Å; E342-E346 WeakPolarHBondContact O-CG 3.42Å; E342-E346 PolarHBondContact O-N 3.26Å |
| 343 | V | 96.6 | Very high | 96.5 | Very high | 10 Ų | 10 | 47 Ų | 47 | 6% | 0.061 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -59.5 | -43.4 | 177.3 | 171.2 | 0 | 0 | 0 | 0 | 110.9 | L332 V339 A340 N345 E346 T347 | L332-V343 HydrophobicContact CD2-CB 4.02Å; L332-V343 HydrophobicContact CD2-CG1 4.1Å; L332-V343 HydrophobicContact CD2-CG2 4.22Å; V339-V343 HydrophobicContact CG1-CG2 4.29Å; V339-V343 WeakPolarHBondContact O-CB 3.19Å; V339-V343 VanDerWaalsContact O-CG2 3.26Å; V339-V343 WeakPolarHBondContact O-CG2 3.42Å; V339-V343 PolarHBondContact O-N 3.02Å; A340-V343 PolarHBondContact O-N 2.97Å; V343-N345 VanDerWaalsContact C-N 3.3Å; V343-N345 PolarHBondContact O-N 2.86Å; V343-E346 PolarHBondContact O-N 3.3Å; V343-E346 VanDerWaalsContact O-N 3.09Å; V343-T347 HydrophobicContact CG1-CG2 4.26Å; V343-T347 PolarHBondContact O-N 3.09Å; V343-T347 PolarHBondContact O-OG1 2.98Å |
| 344 | G | 97 | Very high | 96.4 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63.1 | -34.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | A340 E341 E342 W348 G349 | A340-G344 PolarHBondContact O-N 2.88Å; E341-G344 PolarHBondContact O-N 3.1Å; E342-G344 VanDerWaalsContact C-N 3.32Å; E342-G344 PolarHBondContact O-N 3.31Å; G344-W348 PolarHBondContact O-N 3.31Å; G344-G349 PolarHBondContact O-N 3.08Å |
| 345 | N | 97.3 | Very high | 96.3 | Very high | 78 Ų | 78 | 50.7 Ų | 50.7 | 42% | 0.417 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -73 | -32.6 | 173.4 | -70.6 | -34.2 | 0 | 0 | 0 | 112.2 | N189 E341 E342 V343 G349 | N189-N345 PolarHBondContact ND2-N 3.26Å; N189-N345 PolarHBondContact ND2-OD1 3.4Å; E341-N345 VanDerWaalsContact O-CG 3.27Å; E341-N345 PolarHBondContact O-N 2.88Å; E341-N345 PolarHBondContact O-ND2 3.09Å; E341-N345 VanDerWaalsContact O-ND2 3.11Å; E342-N345 PolarHBondContact O-N 2.82Å; E342-N345 VanDerWaalsContact O-N 3.16Å; V343-N345 VanDerWaalsContact C-N 3.3Å; V343-N345 PolarHBondContact O-N 2.86Å; N345-G349 WeakPolarHBondContact O-CA 3.13Å |
| 346 | E | 96.3 | Very high | 96.3 | Very high | 110 Ų | 110 | 55.3 Ų | 55.3 | 51% | 0.514 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -79.1 | -25.6 | 179.7 | -74.1 | -175.5 | 169.8 | 0 | 0 | 114.6 | E342 V343 K350 | E342-E346 WeakPolarHBondContact O-CG 3.42Å; E342-E346 PolarHBondContact O-N 3.26Å; V343-E346 PolarHBondContact O-N 3.3Å; V343-E346 VanDerWaalsContact O-N 3.09Å; E346-K350 VanDerWaalsContact O-CD 3.23Å; E346-K350 WeakPolarHBondContact O-CD 3.29Å; E346-K350 WeakPolarHBondContact O-CE 3.49Å; E346-K350 PolarHBondContact O-NZ 3.19Å |
| 347 | T | 95.5 | Very high | 96.3 | Very high | 12 Ų | 12 | 58.9 Ų | 58.9 | 7% | 0.074 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.5 | -96.4 | 175.6 | 60 | 0 | 0 | 0 | 0 | 110.1 | N330 V343 G349 K350 T351 | N330-T347 HydrophobicContact CB-CG2 4.34Å; V343-T347 HydrophobicContact CG1-CG2 4.26Å; V343-T347 PolarHBondContact O-N 3.09Å; V343-T347 PolarHBondContact O-OG1 2.98Å; T347-G349 PolarHBondContact O-N 3.01Å; T347-G349 VanDerWaalsContact O-N 3.08Å; T347-K350 PolarHBondContact O-N 3.17Å; T347-T351 PolarHBondContact O-N 2.99Å |
| 348 | W | 97.4 | Very high | 96.3 | Very high | 20 Ų | 20 | 59.7 Ų | 59.7 | 8% | 0.076 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -48.4 | -42.1 | -179.4 | 166.9 | 79.6 | 0 | 0 | 0 | 113.1 | T97 T170 L172 D188 G344 K350 T351 K352 | T97-W348 HydrophobicContact CG2-CB 3.92Å; T170-W348 VanDerWaalsContact O-CD1 3.25Å; T170-W348 PolarHBondContact O-NE1 2.72Å; L172-W348 HydrophobicContact CB-CB 4.16Å; L172-W348 HydrophobicContact CB-CD2 4.03Å; L172-W348 HydrophobicContact CB-CE3 4.37Å; L172-W348 HydrophobicContact CB-CG 3.91Å; L172-W348 HydrophobicContact CD2-CE3 4.32Å; D188-W348 HydrophobicContact CB-CH2 3.43Å; D188-W348 VanDerWaalsContact CB-CH2 3.43Å; D188-W348 HydrophobicContact CB-CZ2 3.45Å; D188-W348 VanDerWaalsContact CB-CZ2 3.45Å; D188-W348 HydrophobicContact CB-CZ3 4.19Å; D188-W348 VanDerWaalsContact CG-CZ2 3.47Å; G344-W348 PolarHBondContact O-N 3.31Å; W348-K350 PolarHBondContact O-N 3.14Å; W348-T351 PolarHBondContact O-N 3.47Å; W348-T351 VanDerWaalsContact O-N 3.17Å; W348-K352 HydrophobicContact CD2-CD 4.35Å; W348-K352 HydrophobicContact CE3-CD 4.43Å; W348-K352 HydrophobicContact CH2-CD 3.64Å; W348-K352 HydrophobicContact CZ2-CB 4.44Å; W348-K352 HydrophobicContact CZ2-CD 3.53Å; W348-K352 HydrophobicContact CZ3-CD 4.11Å; W348-K352 WeakPolarHBondContact O-CB 3.16Å; W348-K352 PolarHBondContact O-N 3.47Å |
| 349 | G | 96 | Very high | 96.2 | Very high | 15 Ų | 15 | 53.7 Ų | 53.7 | 16% | 0.155 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -59.4 | -30.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | G344 N345 T347 | G344-G349 PolarHBondContact O-N 3.08Å; N345-G349 WeakPolarHBondContact O-CA 3.13Å; T347-G349 PolarHBondContact O-N 3.01Å; T347-G349 VanDerWaalsContact O-N 3.08Å |
| 350 | K | 95.8 | Very high | 96.1 | Very high | 129 Ų | 129 | 56.9 Ų | 56.9 | 56% | 0.561 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -85.8 | -33.8 | 175.4 | -65.6 | -173 | -170 | 139.6 | 0 | 112.5 | E346 T347 W348 | E346-K350 VanDerWaalsContact O-CD 3.23Å; E346-K350 WeakPolarHBondContact O-CD 3.29Å; E346-K350 WeakPolarHBondContact O-CE 3.49Å; E346-K350 PolarHBondContact O-NZ 3.19Å; T347-K350 PolarHBondContact O-N 3.17Å; W348-K350 PolarHBondContact O-N 3.14Å |
| 351 | T | 94.3 | Very high | 96.1 | Very high | 14 Ų | 14 | 59.5 Ų | 59.5 | 9% | 0.086 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -73.3 | -43.8 | -177.7 | -63.2 | 0 | 0 | 0 | 0 | 112.9 | D64 T347 W348 D353 D354 E355 | D64-T351 VanDerWaalsContact CG-CG2 3.4Å; D64-T351 WeakPolarHBondContact OD1-CB 3.27Å; D64-T351 WeakPolarHBondContact OD1-CG2 2.88Å; D64-T351 PolarHBondContact OD1-OG1 3.5Å; D64-T351 WeakPolarHBondContact OD2-CG2 3.35Å; T347-T351 PolarHBondContact O-N 2.99Å; W348-T351 PolarHBondContact O-N 3.47Å; W348-T351 VanDerWaalsContact O-N 3.17Å; T351-D353 VanDerWaalsContact C-N 3.31Å; T351-D353 PolarHBondContact O-N 2.63Å; T351-D353 VanDerWaalsContact O-N 3.08Å; T351-D354 PolarHBondContact O-N 2.75Å; T351-E355 HydrophobicContact CG2-CB 4.15Å; T351-E355 VanDerWaalsContact O-CB 3.28Å; T351-E355 WeakPolarHBondContact O-CB 3.44Å; T351-E355 PolarHBondContact O-N 2.77Å |
| 352 | K | 95.6 | Very high | 95.9 | Very high | 67 Ų | 67 | 58.4 Ų | 58.4 | 29% | 0.291 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -54.5 | -36.4 | -165.8 | 71.3 | -172.8 | 179.7 | -174.7 | 0 | 115.9 | W348 R356 | W348-K352 HydrophobicContact CD2-CD 4.35Å; W348-K352 HydrophobicContact CE3-CD 4.43Å; W348-K352 HydrophobicContact CH2-CD 3.64Å; W348-K352 HydrophobicContact CZ2-CB 4.44Å; W348-K352 HydrophobicContact CZ2-CD 3.53Å; W348-K352 HydrophobicContact CZ3-CD 4.11Å; W348-K352 WeakPolarHBondContact O-CB 3.16Å; W348-K352 PolarHBondContact O-N 3.47Å; K352-R356 WeakPolarHBondContact O-CB 3.43Å; K352-R356 PolarHBondContact O-N 3.31Å; K352-R356 VanDerWaalsContact O-N 3.15Å |
| 353 | D | 96.3 | Very high | 95.7 | Very high | 63 Ų | 63 | 57 Ų | 57 | 34% | 0.337 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -81.9 | -36.4 | -173.7 | -74.9 | -41.5 | 0 | 0 | 0 | 111.4 | T351 R356 K357 | T351-D353 VanDerWaalsContact C-N 3.31Å; T351-D353 PolarHBondContact O-N 2.63Å; T351-D353 VanDerWaalsContact O-N 3.08Å; D353-R356 IonicContact OD1-CZ 2.76Å; D353-R356 IonicContact OD1-NH1 3.8Å; D353-R356 IonicContact OD1-NH2 2.77Å; D353-R356 PolarHBondContact OD1-NH2 3.29Å; D353-K357 VanDerWaalsContact O-CG 3.29Å; D353-K357 WeakPolarHBondContact O-CG 3.32Å; D353-K357 PolarHBondContact O-N 2.9Å |
| 354 | D | 96.6 | Very high | 95.5 | Very high | 77 Ų | 77 | 61.7 Ų | 61.7 | 41% | 0.412 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -78.9 | -35.6 | 176.7 | -69.8 | -23.9 | 0 | 0 | 0 | 111.1 | T351 R356 K357 M358 | T351-D354 PolarHBondContact O-N 2.75Å; D354-R356 VanDerWaalsContact C-N 3.33Å; D354-R356 PolarHBondContact O-N 3.32Å; D354-K357 PolarHBondContact O-N 2.85Å; D354-K357 IonicContact OD1-NZ 2.73Å; D354-K357 PolarHBondContact OD1-NZ 3.41Å; D354-M358 PolarHBondContact O-N 3.42Å |
| 355 | E | 96.8 | Very high | 95.3 | Very high | 2 Ų | 2 | 67.2 Ų | 67.2 | 1% | 0.009 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -54.7 | -49 | 168.2 | -179.6 | -175.3 | -119.3 | 0 | 0 | 111.1 | F57 K99 Y169 T170 T351 K357 M358 K359 | F57-E355 HydrophobicContact CD2-CG 3.53Å; F57-E355 HydrophobicContact CE2-CG 3.69Å; K99-E355 WeakPolarHBondContact CD-OE1 3.45Å; K99-E355 VanDerWaalsContact CE-OE1 3.28Å; K99-E355 WeakPolarHBondContact CE-OE1 3.46Å; K99-E355 IonicContact NZ-OE1 2.66Å; K99-E355 PolarHBondContact NZ-OE1 3.2Å; Y169-E355 HydrophobicContact CD1-CG 4.31Å; T170-E355 PolarHBondContact N-OE2 3.39Å; T170-E355 PolarHBondContact OG1-OE1 3.4Å; T351-E355 HydrophobicContact CG2-CB 4.15Å; T351-E355 VanDerWaalsContact O-CB 3.28Å; T351-E355 WeakPolarHBondContact O-CB 3.44Å; T351-E355 PolarHBondContact O-N 2.77Å; E355-K357 PolarHBondContact O-N 2.85Å; E355-M358 PolarHBondContact O-N 2.81Å; E355-K359 PolarHBondContact O-N 3.47Å |
| 356 | R | 95.7 | Very high | 95.1 | Very high | 103 Ų | 103 | 69.9 Ų | 69.9 | 39% | 0.389 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -61.1 | -45.8 | 178 | -176.7 | 173.8 | 64.7 | -126.3 | -14.1 | 112.1 | Y169 K352 D353 D354 M358 K359 E360 | Y169-R356 HydrophobicContact CE1-CB 4.08Å; Y169-R356 HydrophobicContact CE1-CG 4.15Å; K352-R356 WeakPolarHBondContact O-CB 3.43Å; K352-R356 PolarHBondContact O-N 3.31Å; K352-R356 VanDerWaalsContact O-N 3.15Å; D353-R356 IonicContact OD1-CZ 2.76Å; D353-R356 IonicContact OD1-NH1 3.8Å; D353-R356 IonicContact OD1-NH2 2.77Å; D353-R356 PolarHBondContact OD1-NH2 3.29Å; D354-R356 VanDerWaalsContact C-N 3.33Å; D354-R356 PolarHBondContact O-N 3.32Å; R356-M358 VanDerWaalsContact C-N 3.34Å; R356-M358 PolarHBondContact O-N 3.23Å; R356-K359 PolarHBondContact O-N 2.91Å; R356-E360 WeakPolarHBondContact CD-OE1 3.47Å; R356-E360 HydrophobicContact CG-CG 4.22Å; R356-E360 VanDerWaalsContact CG-OE1 3.28Å; R356-E360 WeakPolarHBondContact CG-OE1 3.38Å; R356-E360 IonicContact NE-OE1 3.58Å; R356-E360 WeakPolarHBondContact O-CB 3.43Å; R356-E360 WeakPolarHBondContact O-CG 3.4Å; R356-E360 PolarHBondContact O-N 2.83Å |
| 357 | K | 96.4 | Very high | 94.9 | Very high | 122 Ų | 122 | 73 Ų | 73 | 53% | 0.53 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -60.4 | -43.2 | 177.5 | -71.2 | 169.5 | -158.5 | 157.4 | 0 | 112 | D353 D354 E355 K359 S361 | D353-K357 VanDerWaalsContact O-CG 3.29Å; D353-K357 WeakPolarHBondContact O-CG 3.32Å; D353-K357 PolarHBondContact O-N 2.9Å; D354-K357 PolarHBondContact O-N 2.85Å; D354-K357 IonicContact OD1-NZ 2.73Å; D354-K357 PolarHBondContact OD1-NZ 3.41Å; E355-K357 PolarHBondContact O-N 2.85Å; K357-K359 VanDerWaalsContact C-N 3.34Å; K357-S361 WeakPolarHBondContact O-CB 3.42Å; K357-S361 PolarHBondContact O-N 2.88Å; K357-S361 PolarHBondContact O-OG 3.43Å |
| 358 | M | 95.9 | Very high | 94.8 | Very high | 52 Ų | 52 | 77.5 Ų | 77.5 | 26% | 0.256 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -61.7 | -46 | 178.6 | -175.7 | 170.4 | -178.6 | 0 | 0 | 110.4 | F57 Y58 D354 E355 R356 S361 Q362 | F57-M358 HydrophobicContact CB-CB 4.39Å; F57-M358 HydrophobicContact CB-CG 3.98Å; F57-M358 HydrophobicContact CB-SD 4.19Å; Y58-M358 HydrophobicContact CD2-SD 3.96Å; Y58-M358 HydrophobicContact CE1-CE 4.17Å; Y58-M358 HydrophobicContact CE2-CE 4.06Å; Y58-M358 HydrophobicContact CE2-SD 3.98Å; Y58-M358 HydrophobicContact CG-SD 4.29Å; Y58-M358 PolarHBondContact N-SD 3.07Å; Y58-M358 VanDerWaalsContact N-SD 3.39Å; Y58-M358 VanDerWaalsContact O-SD 3.37Å; D354-M358 PolarHBondContact O-N 3.42Å; E355-M358 PolarHBondContact O-N 2.81Å; R356-M358 VanDerWaalsContact C-N 3.34Å; R356-M358 PolarHBondContact O-N 3.23Å; M358-S361 PolarHBondContact O-N 2.8Å; M358-S361 PolarHBondContact O-OG 2.86Å; M358-Q362 WeakPolarHBondContact O-CG 3.29Å; M358-Q362 PolarHBondContact O-N 2.97Å |
| 359 | K | 94.4 | Very high | 94.6 | Very high | 19 Ų | 19 | 82.1 Ų | 82.1 | 8% | 0.083 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -62.6 | -49.7 | 177.7 | -163.8 | -172 | -175.2 | -153.2 | 0 | 112.7 | F57 E168 Y169 E355 R356 K357 S361 Q362 E363 | F57-K359 HydrophobicContact CB-CB 4.43Å; F57-K359 HydrophobicContact CD1-CG 4.24Å; F57-K359 HydrophobicContact CD2-CB 3.75Å; F57-K359 HydrophobicContact CD2-CD 4.28Å; F57-K359 HydrophobicContact CD2-CG 4.11Å; F57-K359 HydrophobicContact CE1-CD 4.16Å; F57-K359 HydrophobicContact CE1-CG 4.27Å; F57-K359 HydrophobicContact CE2-CB 4.11Å; F57-K359 HydrophobicContact CE2-CD 3.81Å; F57-K359 HydrophobicContact CE2-CG 4.15Å; F57-K359 HydrophobicContact CG-CB 4.02Å; F57-K359 HydrophobicContact CG-CG 4.16Å; F57-K359 HydrophobicContact CZ-CD 3.74Å; F57-K359 HydrophobicContact CZ-CG 4.23Å; E168-K359 WeakPolarHBondContact OE2-CE 3.06Å; E168-K359 IonicContact OE2-NZ 3.72Å; E168-K359 PolarHBondContact OE2-NZ 2.88Å; Y169-K359 HydrophobicContact CD1-CD 4.3Å; Y169-K359 HydrophobicContact CE1-CB 4.07Å; Y169-K359 HydrophobicContact CE1-CD 3.44Å; Y169-K359 VanDerWaalsContact CE1-CD 3.44Å; Y169-K359 HydrophobicContact CE1-CG 4.39Å; E355-K359 PolarHBondContact O-N 3.47Å; R356-K359 PolarHBondContact O-N 2.91Å; K357-K359 VanDerWaalsContact C-N 3.34Å; K359-S361 PolarHBondContact O-N 3.48Å; K359-Q362 PolarHBondContact O-N 3.44Å; K359-Q362 VanDerWaalsContact O-N 3.09Å; K359-E363 WeakPolarHBondContact CE-OE1 3.44Å; K359-E363 HydrophobicContact CG-CG 4.45Å; K359-E363 IonicContact NZ-OE1 3.92Å; K359-E363 PolarHBondContact NZ-OE1 3.23Å; K359-E363 WeakPolarHBondContact O-CG 3.33Å; K359-E363 PolarHBondContact O-N 2.99Å |
| 360 | E | 94.9 | Very high | 94.4 | Very high | 98 Ų | 98 | 89.4 Ų | 89.4 | 46% | 0.458 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -57.2 | -38.6 | 177.9 | -73.2 | 172 | 177.3 | 0 | 0 | 111.4 | R356 E364 | R356-E360 WeakPolarHBondContact CD-OE1 3.47Å; R356-E360 HydrophobicContact CG-CG 4.22Å; R356-E360 VanDerWaalsContact CG-OE1 3.28Å; R356-E360 WeakPolarHBondContact CG-OE1 3.38Å; R356-E360 IonicContact NE-OE1 3.58Å; R356-E360 WeakPolarHBondContact O-CB 3.43Å; R356-E360 WeakPolarHBondContact O-CG 3.4Å; R356-E360 PolarHBondContact O-N 2.83Å; E360-E364 WeakPolarHBondContact O-CB 3.36Å; E360-E364 PolarHBondContact O-N 2.89Å |
| 361 | S | 94.8 | Very high | 94.3 | Very high | 57 Ų | 57 | 87.5 Ų | 87.5 | 40% | 0.399 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -67.4 | -40.7 | 175.9 | 73 | 0 | 0 | 0 | 0 | 113.2 | K357 M358 K359 E364 E365 | K357-S361 WeakPolarHBondContact O-CB 3.42Å; K357-S361 PolarHBondContact O-N 2.88Å; K357-S361 PolarHBondContact O-OG 3.43Å; M358-S361 PolarHBondContact O-N 2.8Å; M358-S361 PolarHBondContact O-OG 2.86Å; K359-S361 PolarHBondContact O-N 3.48Å; S361-E364 PolarHBondContact O-N 2.81Å; S361-E365 WeakPolarHBondContact O-CG 3.36Å; S361-E365 PolarHBondContact O-N 3.44Å |
| 362 | Q | 92.8 | Very high | 94.2 | Very high | 59 Ų | 59 | 92.7 Ų | 92.7 | 28% | 0.276 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -65.8 | -44 | 176.4 | -72.3 | 177.6 | -4.6 | 0 | 0 | 111.1 | K56 M358 K359 E364 E365 E366 | K56-Q362 PolarHBondContact O-NE2 2.57Å; M358-Q362 WeakPolarHBondContact O-CG 3.29Å; M358-Q362 PolarHBondContact O-N 2.97Å; K359-Q362 PolarHBondContact O-N 3.44Å; K359-Q362 VanDerWaalsContact O-N 3.09Å; Q362-E364 VanDerWaalsContact C-N 3.33Å; Q362-E364 PolarHBondContact O-N 3.23Å; Q362-E365 PolarHBondContact O-N 2.87Å; Q362-E366 WeakPolarHBondContact O-CG 3.15Å; Q362-E366 PolarHBondContact O-N 3.23Å |
| 363 | E | 92.8 | Very high | 94 | Very high | 91 Ų | 91 | 94.6 Ų | 94.6 | 43% | 0.425 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -62.5 | -38.3 | 176.6 | -71.5 | 177.5 | -178 | 0 | 0 | 111.8 | K359 R367 | K359-E363 WeakPolarHBondContact CE-OE1 3.44Å; K359-E363 HydrophobicContact CG-CG 4.45Å; K359-E363 IonicContact NZ-OE1 3.92Å; K359-E363 PolarHBondContact NZ-OE1 3.23Å; K359-E363 WeakPolarHBondContact O-CG 3.33Å; K359-E363 PolarHBondContact O-N 2.99Å; E363-R367 VanDerWaalsContact O-CB 3.26Å; E363-R367 WeakPolarHBondContact O-CB 3.25Å; E363-R367 PolarHBondContact O-N 2.74Å |
| 364 | E | 93.6 | Very high | 93.8 | Very high | 107 Ų | 107 | 94.4 Ų | 94.4 | 50% | 0.5 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -66.5 | -41.6 | 175.1 | -169.1 | -174.5 | 157.7 | 0 | 0 | 112 | E360 S361 Q362 R367 K368 | E360-E364 WeakPolarHBondContact O-CB 3.36Å; E360-E364 PolarHBondContact O-N 2.89Å; S361-E364 PolarHBondContact O-N 2.81Å; Q362-E364 VanDerWaalsContact C-N 3.33Å; Q362-E364 PolarHBondContact O-N 3.23Å; E364-R367 PolarHBondContact O-N 3.21Å; E364-K368 WeakPolarHBondContact O-CG 3.36Å; E364-K368 PolarHBondContact O-N 3.33Å; E364-K368 VanDerWaalsContact OE1-CE 3.22Å; E364-K368 WeakPolarHBondContact OE1-CE 3.46Å; E364-K368 IonicContact OE1-NZ 2.67Å; E364-K368 PolarHBondContact OE1-NZ 2.99Å |
| 365 | E | 92.9 | Very high | 93.6 | Very high | 116 Ų | 116 | 97 Ų | 97 | 54% | 0.542 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -64.9 | -43.5 | 175.1 | -75.4 | -171.8 | 179.7 | 0 | 0 | 112.3 | S361 Q362 R367 K368 K369 | S361-E365 WeakPolarHBondContact O-CG 3.36Å; S361-E365 PolarHBondContact O-N 3.44Å; Q362-E365 PolarHBondContact O-N 2.87Å; E365-R367 VanDerWaalsContact C-N 3.34Å; E365-K368 PolarHBondContact O-N 3.15Å; E365-K369 WeakPolarHBondContact O-CG 3.21Å; E365-K369 PolarHBondContact O-N 3.47Å |
| 366 | E | 91.6 | Very high | 93.4 | Very high | 135 Ų | 135 | 103.1 Ų | 103.1 | 63% | 0.631 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -63.5 | -40.6 | 175.7 | -74.8 | -167.9 | 163.4 | 0 | 0 | 111.7 | Q362 K369 R370 | Q362-E366 WeakPolarHBondContact O-CG 3.15Å; Q362-E366 PolarHBondContact O-N 3.23Å; E366-K369 PolarHBondContact O-N 3.03Å; E366-R370 WeakPolarHBondContact O-CB 3.44Å; E366-R370 PolarHBondContact O-N 3.15Å |
| 367 | R | 93.1 | Very high | 93.1 | Very high | 174 Ų | 174 | 105.5 Ų | 105.5 | 66% | 0.657 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -61.7 | -44.9 | 174.9 | -175.6 | 178.7 | 177.9 | -175.8 | 2.1 | 111.9 | E363 E364 E365 K369 R370 D371 | E363-R367 VanDerWaalsContact O-CB 3.26Å; E363-R367 WeakPolarHBondContact O-CB 3.25Å; E363-R367 PolarHBondContact O-N 2.74Å; E364-R367 PolarHBondContact O-N 3.21Å; E365-R367 VanDerWaalsContact C-N 3.34Å; R367-K369 PolarHBondContact O-N 2.71Å; R367-R370 PolarHBondContact O-N 3.34Å; R367-D371 WeakPolarHBondContact O-CB 3.32Å; R367-D371 VanDerWaalsContact O-CG 3.28Å; R367-D371 PolarHBondContact O-N 2.91Å |
| 368 | K | 93.8 | Very high | 92.9 | Very high | 108 Ų | 108 | 108.5 Ų | 108.5 | 47% | 0.47 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -60.8 | -43.7 | 176.3 | -75.1 | 171.1 | -174.7 | 162.3 | 0 | 111.8 | E364 E365 R370 D371 E372 | E364-K368 WeakPolarHBondContact O-CG 3.36Å; E364-K368 PolarHBondContact O-N 3.33Å; E364-K368 VanDerWaalsContact OE1-CE 3.22Å; E364-K368 WeakPolarHBondContact OE1-CE 3.46Å; E364-K368 IonicContact OE1-NZ 2.67Å; E364-K368 PolarHBondContact OE1-NZ 2.99Å; E365-K368 PolarHBondContact O-N 3.15Å; K368-R370 VanDerWaalsContact C-N 3.34Å; K368-R370 PolarHBondContact O-N 3.32Å; K368-D371 PolarHBondContact O-N 2.86Å; K368-E372 WeakPolarHBondContact O-CG 3.26Å; K368-E372 PolarHBondContact O-N 3.41Å |
| 369 | K | 93 | Very high | 92.6 | Very high | 117 Ų | 117 | 109.1 Ų | 109.1 | 51% | 0.509 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -60.7 | -44.2 | 175.7 | -73 | 172.1 | -175.6 | 166.9 | 0 | 111.5 | E365 E366 R367 E372 E373 | E365-K369 WeakPolarHBondContact O-CG 3.21Å; E365-K369 PolarHBondContact O-N 3.47Å; E366-K369 PolarHBondContact O-N 3.03Å; R367-K369 PolarHBondContact O-N 2.71Å; K369-E372 PolarHBondContact O-N 2.94Å; K369-E373 WeakPolarHBondContact O-CG 3.26Å; K369-E373 PolarHBondContact O-N 3.09Å |
| 370 | R | 91.8 | Very high | 92.3 | Very high | 167 Ų | 167 | 113.6 Ų | 113.6 | 63% | 0.63 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -64 | -43.2 | 177.2 | -172.7 | 178.4 | 177.7 | -172.6 | 1.8 | 112.3 | E366 R367 K368 E372 E373 D374 | E366-R370 WeakPolarHBondContact O-CB 3.44Å; E366-R370 PolarHBondContact O-N 3.15Å; R367-R370 PolarHBondContact O-N 3.34Å; K368-R370 VanDerWaalsContact C-N 3.34Å; K368-R370 PolarHBondContact O-N 3.32Å; R370-E372 VanDerWaalsContact C-N 3.3Å; R370-E372 PolarHBondContact O-N 2.62Å; R370-E373 PolarHBondContact O-N 3.03Å; R370-D374 WeakPolarHBondContact O-CB 3.26Å; R370-D374 PolarHBondContact O-N 3.17Å |
| 371 | D | 92.8 | Very high | 92.1 | Very high | 89 Ų | 89 | 112.6 Ų | 112.6 | 48% | 0.476 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.6 | -36.3 | 177 | -69.8 | -16.2 | 0 | 0 | 0 | 111.2 | R367 K368 K375 | R367-D371 WeakPolarHBondContact O-CB 3.32Å; R367-D371 VanDerWaalsContact O-CG 3.28Å; R367-D371 PolarHBondContact O-N 2.91Å; K368-D371 PolarHBondContact O-N 2.86Å; D371-K375 WeakPolarHBondContact O-CB 3.36Å; D371-K375 PolarHBondContact O-N 3.39Å |
| 372 | E | 92.3 | Very high | 91.8 | Very high | 123 Ų | 123 | 115.3 Ų | 115.3 | 58% | 0.575 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -68.8 | -41 | 173.2 | -74.9 | 178.4 | -175.4 | 0 | 0 | 112.8 | K368 K369 R370 K375 K376 | K368-E372 WeakPolarHBondContact O-CG 3.26Å; K368-E372 PolarHBondContact O-N 3.41Å; K369-E372 PolarHBondContact O-N 2.94Å; R370-E372 VanDerWaalsContact C-N 3.3Å; R370-E372 PolarHBondContact O-N 2.62Å; E372-K375 PolarHBondContact O-N 2.86Å; E372-K376 WeakPolarHBondContact O-CG 3.37Å; E372-K376 PolarHBondContact O-N 3.46Å |
| 373 | E | 91.8 | Very high | 91.5 | Very high | 108 Ų | 108 | 118.6 Ų | 118.6 | 51% | 0.505 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -66.2 | -43.7 | 175.1 | -75.4 | 179.4 | -174.9 | 0 | 0 | 112 | K369 R370 K375 K376 R377 | K369-E373 WeakPolarHBondContact O-CG 3.26Å; K369-E373 PolarHBondContact O-N 3.09Å; R370-E373 PolarHBondContact O-N 3.03Å; E373-K375 VanDerWaalsContact C-N 3.27Å; E373-K375 PolarHBondContact O-N 3.25Å; E373-K376 PolarHBondContact O-N 3.33Å; E373-R377 WeakPolarHBondContact O-CG 3.19Å; E373-R377 PolarHBondContact O-N 3.5Å |
| 374 | D | 91.8 | Very high | 91 | Very high | 58 Ų | 58 | 119 Ų | 119 | 31% | 0.31 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -65.5 | -33.1 | 176.4 | -77 | -15.2 | 0 | 0 | 0 | 111.2 | R370 R378 | R370-D374 WeakPolarHBondContact O-CB 3.26Å; R370-D374 PolarHBondContact O-N 3.17Å; D374-R378 VanDerWaalsContact O-CG 3.27Å; D374-R378 WeakPolarHBondContact O-CG 3.48Å; D374-R378 PolarHBondContact O-N 3.35Å; D374-R378 VanDerWaalsContact O-N 3.12Å |
| 375 | K | 92.6 | Very high | 90.5 | Very high | 133 Ų | 133 | 119.2 Ų | 119.2 | 58% | 0.578 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -66.8 | -47.5 | 171.7 | -173.1 | -177.1 | 174.5 | -169.8 | 0 | 111.4 | D371 E372 E373 R377 R378 D379 | D371-K375 WeakPolarHBondContact O-CB 3.36Å; D371-K375 PolarHBondContact O-N 3.39Å; E372-K375 PolarHBondContact O-N 2.86Å; E373-K375 VanDerWaalsContact C-N 3.27Å; E373-K375 PolarHBondContact O-N 3.25Å; K375-R377 VanDerWaalsContact C-N 3.34Å; K375-R377 PolarHBondContact O-N 2.76Å; K375-R378 PolarHBondContact O-N 3.41Å; K375-R378 VanDerWaalsContact O-N 3.13Å; K375-D379 PolarHBondContact O-N 3.04Å |
| 376 | K | 92.1 | Very high | 90 | Very high | 130 Ų | 130 | 119 Ų | 119 | 57% | 0.565 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -58 | -45.4 | 176.7 | -75.5 | 176.1 | -178.1 | 176.3 | 0 | 112 | E372 E373 R378 D379 E380 | E372-K376 WeakPolarHBondContact O-CG 3.37Å; E372-K376 PolarHBondContact O-N 3.46Å; E373-K376 PolarHBondContact O-N 3.33Å; K376-R378 VanDerWaalsContact C-N 3.29Å; K376-R378 PolarHBondContact O-N 3.48Å; K376-D379 PolarHBondContact O-N 3.12Å; K376-D379 VanDerWaalsContact O-N 3.14Å; K376-E380 WeakPolarHBondContact O-CG 3.46Å; K376-E380 PolarHBondContact O-N 3.23Å |
| 377 | R | 91 | Very high | 89.3 | Confident | 153 Ų | 153 | 118.6 Ų | 118.6 | 58% | 0.577 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -60.6 | -36.9 | 175.9 | -72.3 | 176.9 | -178.6 | -172.5 | 2.6 | 112.9 | E373 K375 V381 | E373-R377 WeakPolarHBondContact O-CG 3.19Å; E373-R377 PolarHBondContact O-N 3.5Å; K375-R377 VanDerWaalsContact C-N 3.34Å; K375-R377 PolarHBondContact O-N 2.76Å; R377-V381 VanDerWaalsContact O-CG2 3.26Å; R377-V381 WeakPolarHBondContact O-CG2 3.28Å; R377-V381 PolarHBondContact O-N 3.32Å |
| 378 | R | 91.1 | Very high | 88.6 | Confident | 184 Ų | 184 | 116.6 Ų | 116.6 | 69% | 0.694 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -71.9 | -33.8 | 175.8 | -75.7 | 173 | -175.5 | -127.4 | 2.4 | 112.7 | D374 K375 K376 K382 | D374-R378 VanDerWaalsContact O-CG 3.27Å; D374-R378 WeakPolarHBondContact O-CG 3.48Å; D374-R378 PolarHBondContact O-N 3.35Å; D374-R378 VanDerWaalsContact O-N 3.12Å; K375-R378 PolarHBondContact O-N 3.41Å; K375-R378 VanDerWaalsContact O-N 3.13Å; K376-R378 VanDerWaalsContact C-N 3.29Å; K376-R378 PolarHBondContact O-N 3.48Å; R378-K382 VanDerWaalsContact O-CG 3.31Å; R378-K382 WeakPolarHBondContact O-CG 3.21Å; R378-K382 PolarHBondContact O-N 2.93Å |
| 379 | D | 90.6 | Very high | 87.8 | Confident | 66 Ų | 66 | 117.5 Ų | 117.5 | 35% | 0.353 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -72.9 | -40.3 | 176.6 | -66.1 | -20.6 | 0 | 0 | 0 | 109.6 | K375 K376 K382 E383 | K375-D379 PolarHBondContact O-N 3.04Å; K376-D379 PolarHBondContact O-N 3.12Å; K376-D379 VanDerWaalsContact O-N 3.14Å; D379-K382 PolarHBondContact O-N 3.23Å; D379-E383 PolarHBondContact O-N 2.85Å |
| 380 | E | 88.6 | Confident | 86.9 | Confident | 112 Ų | 112 | 117.2 Ų | 117.2 | 52% | 0.523 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -59.2 | -48.8 | 172.2 | -74.6 | 169.2 | -175.4 | 0 | 0 | 112.1 | K376 K382 E383 D384 | K376-E380 WeakPolarHBondContact O-CG 3.46Å; K376-E380 PolarHBondContact O-N 3.23Å; E380-K382 PolarHBondContact O-N 2.99Å; E380-E383 PolarHBondContact O-N 3.49Å; E380-E383 VanDerWaalsContact O-N 3.11Å; E380-D384 PolarHBondContact O-N 3.29Å |
| 381 | V | 90.1 | Very high | 86.1 | Confident | 77 Ų | 77 | 114 Ų | 114 | 47% | 0.467 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -61 | -33.8 | 177.6 | 169.8 | 0 | 0 | 0 | 0 | 112.3 | R377 E385 | R377-V381 VanDerWaalsContact O-CG2 3.26Å; R377-V381 WeakPolarHBondContact O-CG2 3.28Å; R377-V381 PolarHBondContact O-N 3.32Å; V381-E385 HydrophobicContact CG1-CG 4.49Å; V381-E385 WeakPolarHBondContact O-CB 3.21Å; V381-E385 VanDerWaalsContact O-CG 3.32Å; V381-E385 WeakPolarHBondContact O-CG 3.13Å; V381-E385 PolarHBondContact O-N 3.33Å |
| 382 | K | 88.7 | Confident | 85.1 | Confident | 115 Ų | 115 | 115.9 Ų | 115.9 | 50% | 0.5 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -73.1 | -37.3 | 175.8 | -74.9 | 174.6 | -179.9 | -179.7 | 0 | 112.5 | R378 D379 E380 D384 E385 E386 | R378-K382 VanDerWaalsContact O-CG 3.31Å; R378-K382 WeakPolarHBondContact O-CG 3.21Å; R378-K382 PolarHBondContact O-N 2.93Å; D379-K382 PolarHBondContact O-N 3.23Å; E380-K382 PolarHBondContact O-N 2.99Å; K382-D384 VanDerWaalsContact C-N 3.31Å; K382-E385 PolarHBondContact O-N 3.29Å; K382-E386 WeakPolarHBondContact O-CB 3.32Å; K382-E386 VanDerWaalsContact O-CG 3.3Å; K382-E386 WeakPolarHBondContact O-CG 3.46Å; K382-E386 PolarHBondContact O-N 2.67Å |
| 383 | E | 85.4 | Confident | 84 | Confident | 128 Ų | 128 | 116.4 Ų | 116.4 | 60% | 0.598 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -63.4 | -41.8 | 173.8 | -74.9 | -179.6 | 177.4 | 0 | 0 | 110.1 | D379 E380 E386 E387 | D379-E383 PolarHBondContact O-N 2.85Å; E380-E383 PolarHBondContact O-N 3.49Å; E380-E383 VanDerWaalsContact O-N 3.11Å; E383-E386 PolarHBondContact O-N 2.65Å; E383-E387 PolarHBondContact O-N 3.22Å |
| 384 | D | 83.6 | Confident | 82.9 | Confident | 98 Ų | 98 | 117.7 Ų | 117.7 | 52% | 0.524 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -62.8 | -46.4 | 174.5 | -65 | -19.6 | 0 | 0 | 0 | 111.6 | E380 K382 E386 E387 E388 | E380-D384 PolarHBondContact O-N 3.29Å; K382-D384 VanDerWaalsContact C-N 3.31Å; D384-E386 VanDerWaalsContact C-N 3.34Å; D384-E386 PolarHBondContact O-N 3.37Å; D384-E387 PolarHBondContact O-N 3.19Å; D384-E388 PolarHBondContact O-N 3.42Å |
| 385 | E | 82.8 | Confident | 81.6 | Confident | 113 Ų | 113 | 121.6 Ų | 121.6 | 53% | 0.528 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -61.4 | -38.9 | 175.3 | -76 | 174.8 | 177.1 | 0 | 0 | 112 | V381 K382 E387 E389 | V381-E385 HydrophobicContact CG1-CG 4.49Å; V381-E385 WeakPolarHBondContact O-CB 3.21Å; V381-E385 VanDerWaalsContact O-CG 3.32Å; V381-E385 WeakPolarHBondContact O-CG 3.13Å; V381-E385 PolarHBondContact O-N 3.33Å; K382-E385 PolarHBondContact O-N 3.29Å; E385-E387 VanDerWaalsContact C-N 3.34Å; E385-E389 WeakPolarHBondContact O-CG 3.26Å; E385-E389 PolarHBondContact O-N 2.84Å |
| 386 | E | 82.4 | Confident | 80.2 | Confident | 112 Ų | 112 | 122.1 Ų | 122.1 | 52% | 0.523 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -73.9 | -19.9 | 176.5 | -76.6 | -176.8 | -164.1 | 0 | 0 | 113.7 | K382 E383 D384 K390 | K382-E386 WeakPolarHBondContact O-CB 3.32Å; K382-E386 VanDerWaalsContact O-CG 3.3Å; K382-E386 WeakPolarHBondContact O-CG 3.46Å; K382-E386 PolarHBondContact O-N 2.67Å; E383-E386 PolarHBondContact O-N 2.65Å; D384-E386 VanDerWaalsContact C-N 3.34Å; D384-E386 PolarHBondContact O-N 3.37Å; E386-K390 WeakPolarHBondContact O-CD 3.36Å; E386-K390 WeakPolarHBondContact O-CG 3.26Å; E386-K390 PolarHBondContact O-NZ 3.34Å |
| 387 | E | 76.9 | Confident | 78.7 | Confident | 125 Ų | 125 | 123.6 Ų | 123.6 | 58% | 0.584 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -81.2 | -44.1 | 169.7 | -74.9 | -164.8 | 171.6 | 0 | 0 | 110.6 | E383 D384 E385 E389 K390 D391 | E383-E387 PolarHBondContact O-N 3.22Å; D384-E387 PolarHBondContact O-N 3.19Å; E385-E387 VanDerWaalsContact C-N 3.34Å; E387-E389 PolarHBondContact O-N 3.07Å; E387-K390 PolarHBondContact O-N 3.05Å; E387-K390 VanDerWaalsContact O-N 3.11Å; E387-D391 PolarHBondContact O-N 3.45Å |
| 388 | E | 76.8 | Confident | 77.2 | Confident | 132 Ų | 132 | 123.7 Ų | 123.7 | 62% | 0.617 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -59.6 | -43 | 174.9 | -72.1 | -174.3 | 174.3 | 0 | 0 | 112 | D384 K390 D391 E392 | D384-E388 PolarHBondContact O-N 3.42Å; E388-K390 VanDerWaalsContact C-N 3.28Å; E388-K390 PolarHBondContact O-N 2.93Å; E388-D391 PolarHBondContact O-N 3.44Å; E388-E392 WeakPolarHBondContact O-CG 2.99Å; E388-E392 PolarHBondContact O-N 3.12Å |
| 389 | E | 77.2 | Confident | 75.5 | Confident | 127 Ų | 127 | 123 Ų | 123 | 59% | 0.593 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -62.5 | -33.1 | 175.7 | -78.8 | -172.4 | 172.2 | 0 | 0 | 112.7 | E385 E387 E393 | E385-E389 WeakPolarHBondContact O-CG 3.26Å; E385-E389 PolarHBondContact O-N 2.84Å; E387-E389 PolarHBondContact O-N 3.07Å; E389-E393 WeakPolarHBondContact O-CG 3.39Å; E389-E393 PolarHBondContact O-N 2.89Å; E389-E393 VanDerWaalsContact O-N 3.08Å |
| 390 | K | 75.1 | Confident | 73.8 | Confident | 111 Ų | 111 | 128.5 Ų | 128.5 | 48% | 0.483 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -74.9 | -39.1 | 177.1 | -75.6 | 174.4 | -164.7 | 133.7 | 0 | 112.4 | E386 E387 E388 E392 E393 E394 | E386-K390 WeakPolarHBondContact O-CD 3.36Å; E386-K390 WeakPolarHBondContact O-CG 3.26Å; E386-K390 PolarHBondContact O-NZ 3.34Å; E387-K390 PolarHBondContact O-N 3.05Å; E387-K390 VanDerWaalsContact O-N 3.11Å; E388-K390 VanDerWaalsContact C-N 3.28Å; E388-K390 PolarHBondContact O-N 2.93Å; K390-E392 VanDerWaalsContact C-N 3.3Å; K390-E393 PolarHBondContact O-N 3.35Å; K390-E394 PolarHBondContact O-N 2.98Å |
| 391 | D | 74 | Confident | 72.1 | Confident | 101 Ų | 101 | 126.2 Ų | 126.2 | 54% | 0.54 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -63.7 | -40.1 | 176.2 | -72.4 | -11.8 | 0 | 0 | 0 | 110 | E387 E388 E394 E395 | E387-D391 PolarHBondContact O-N 3.45Å; E388-D391 PolarHBondContact O-N 3.44Å; D391-E394 PolarHBondContact O-N 2.89Å; D391-E395 PolarHBondContact O-N 3.15Å |
| 392 | E | 72.4 | Confident | 70.2 | Confident | 128 Ų | 128 | 130.7 Ų | 130.7 | 60% | 0.598 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -63.6 | -42 | 172.8 | -72.3 | -174.1 | 178 | 0 | 0 | 112.5 | E388 K390 E395 E396 | E388-E392 WeakPolarHBondContact O-CG 2.99Å; E388-E392 PolarHBondContact O-N 3.12Å; K390-E392 VanDerWaalsContact C-N 3.3Å; E392-E395 PolarHBondContact O-N 3.36Å; E392-E396 PolarHBondContact O-N 2.73Å; E392-E396 VanDerWaalsContact O-N 3.09Å |
| 393 | E | 69.9 | Low | 67.8 | Low | 133 Ų | 133 | 134.1 Ų | 134.1 | 62% | 0.621 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -65.1 | -37.6 | 175.4 | -77.1 | -174.9 | 173.6 | 0 | 0 | 112.6 | E389 K390 E397 | E389-E393 WeakPolarHBondContact O-CG 3.39Å; E389-E393 PolarHBondContact O-N 2.89Å; E389-E393 VanDerWaalsContact O-N 3.08Å; K390-E393 PolarHBondContact O-N 3.35Å; E393-E397 PolarHBondContact O-N 3.28Å; E393-E397 VanDerWaalsContact O-N 3.14Å |
| 394 | E | 66.9 | Low | 65.8 | Low | 135 Ų | 135 | 134 Ų | 134 | 63% | 0.631 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -68.1 | -38.8 | 175.5 | -74.9 | -169.7 | -179.9 | 0 | 0 | 112 | K390 D391 E397 E398 | K390-E394 PolarHBondContact O-N 2.98Å; D391-E394 PolarHBondContact O-N 2.89Å; E394-E397 PolarHBondContact O-N 3.43Å; E394-E398 PolarHBondContact O-N 3.5Å; E394-E398 VanDerWaalsContact O-N 3.11Å |
| 395 | E | 65.6 | Low | 63.5 | Low | 141 Ų | 141 | 138.6 Ų | 138.6 | 66% | 0.659 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -64.9 | -39.6 | 174.7 | -75 | -170.1 | 173.6 | 0 | 0 | 112.3 | D391 E392 E398 E399 | D391-E395 PolarHBondContact O-N 3.15Å; E392-E395 PolarHBondContact O-N 3.36Å; E395-E398 PolarHBondContact O-N 2.63Å; E395-E399 PolarHBondContact O-N 2.61Å; E395-E399 VanDerWaalsContact O-N 3.14Å |
| 396 | E | 63.3 | Low | 61.5 | Low | 144 Ų | 144 | 142.1 Ų | 142.1 | 67% | 0.673 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -66.9 | -36.3 | 175.8 | -73.6 | -167.4 | 169.8 | 0 | 0 | 112.6 | E392 E399 E400 | E392-E396 PolarHBondContact O-N 2.73Å; E392-E396 VanDerWaalsContact O-N 3.09Å; E396-E399 PolarHBondContact O-N 2.92Å; E396-E400 PolarHBondContact O-N 3.39Å |
| 397 | E | 61.1 | Low | 59.2 | Low | 160 Ų | 160 | 146.2 Ų | 146.2 | 75% | 0.748 | 71% | 0.713 | S | S | * | * | H | α-helix | trans | -70.5 | -30.9 | 175.3 | -75.4 | -163 | 170.9 | 0 | 0 | 113 | E393 E394 G401 | E393-E397 PolarHBondContact O-N 3.28Å; E393-E397 VanDerWaalsContact O-N 3.14Å; E394-E397 PolarHBondContact O-N 3.43Å; E397-G401 PolarHBondContact O-N 2.91Å |
| 398 | E | 58.1 | Low | 57.2 | Low | 156 Ų | 156 | 149.1 Ų | 149.1 | 73% | 0.729 | 73% | 0.726 | S | S | * | * | H | α-helix | trans | -70.7 | -37.7 | 172.9 | -73.2 | -164 | 165.7 | 0 | 0 | 112.1 | E394 E395 G401 | E394-E398 PolarHBondContact O-N 3.5Å; E394-E398 VanDerWaalsContact O-N 3.11Å; E395-E398 PolarHBondContact O-N 2.63Å; E398-G401 PolarHBondContact O-N 2.93Å |
| 399 | E | 56.2 | Low | 55.1 | Low | 168 Ų | 168 | 150.9 Ų | 150.9 | 79% | 0.785 | 73% | 0.734 | S | S | * | * | H | α-helix | trans | -70 | -33.2 | 176.2 | -77.9 | -158.9 | 159.7 | 0 | 0 | 113.6 | E395 E396 G401 | E395-E399 PolarHBondContact O-N 2.61Å; E395-E399 VanDerWaalsContact O-N 3.14Å; E396-E399 PolarHBondContact O-N 2.92Å; E399-G401 VanDerWaalsContact C-N 3.27Å; E399-G401 PolarHBondContact O-N 2.92Å |
| 400 | E | 55.7 | Low | 53.1 | Low | 183 Ų | 183 | 152.5 Ų | 152.5 | 86% | 0.855 | 74% | 0.742 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.7 | -10.1 | 174.5 | -73.7 | -156.6 | 162.2 | 0 | 0 | 113.8 | E396 | E396-E400 PolarHBondContact O-N 3.39Š|
| 401 | G | 52.7 | Low | 51.1 | Low | 64 Ų | 64 | 155.4 Ų | 155.4 | 66% | 0.66 | 76% | 0.757 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.7 | -17 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | E397 E398 E399 | E397-G401 PolarHBondContact O-N 2.91Å; E398-G401 PolarHBondContact O-N 2.93Å; E399-G401 VanDerWaalsContact C-N 3.27Å; E399-G401 PolarHBondContact O-N 2.92Å |
| 402 | E | 49.7 | Very low | 49.2 | Very low | 171 Ų | 171 | 157.9 Ų | 157.9 | 80% | 0.799 | 77% | 0.766 | S | S | * | * | trans | -109.9 | 82.1 | -179.3 | -68 | -162 | 160 | 0 | 0 | 112 | ||||
| 403 | E | 38.9 | Very low | 47.4 | Very low | 187 Ų | 187 | 159.3 Ų | 159.3 | 87% | 0.874 | 77% | 0.772 | S | S | * | * | trans | -70.8 | 130.9 | 156.9 | -81.4 | -166.6 | 160.6 | 0 | 0 | 109.3 | E405 | E403-E405 PolarHBondContact O-N 3.32Š| ||
| 404 | P | 42.7 | Very low | 45.9 | Very low | 124 Ų | 124 | 161.7 Ų | 161.7 | 81% | 0.805 | 78% | 0.783 | S | S | * | * | trans | -81.2 | 121.4 | -173.7 | 30.7 | -31.6 | 0 | 0 | 0 | 111.7 | ||||
| 405 | E | 34.7 | Very low | 44.4 | Very low | 196 Ų | 196 | 163.8 Ų | 163.8 | 92% | 0.916 | 79% | 0.793 | S | S | * | * | trans | -77.7 | 114.1 | 156.9 | -78.1 | -168.9 | 156.8 | 0 | 0 | 108.6 | E403 | E403-E405 PolarHBondContact O-N 3.32Š| ||
| 406 | E | 41 | Very low | 43 | Very low | 187 Ų | 187 | 165 Ų | 165 | 87% | 0.874 | 81% | 0.805 | S | S | * | * | trans | -62.1 | 127 | 168.8 | -66.4 | -178.3 | 156 | 0 | 0 | 110.6 | ||||
| 407 | E | 35.3 | Very low | 41.8 | Very low | 198 Ų | 198 | 166.3 Ų | 166.3 | 93% | 0.925 | 81% | 0.81 | S | S | * | * | trans | -141.6 | 140.2 | 153.2 | -76.1 | -161.7 | 159.3 | 0 | 0 | 112.3 | ||||
| 408 | E | 33.3 | Very low | 40.6 | Very low | 185 Ų | 185 | 161.6 Ų | 161.6 | 86% | 0.864 | 81% | 0.805 | S | S | * | * | trans | -78.1 | 178.8 | -170.5 | -60.1 | 175.9 | 138 | 0 | 0 | 114.5 | ||||
| 409 | E | 34 | Very low | 39.6 | Very low | 169 Ų | 169 | 161.1 Ų | 161.1 | 79% | 0.79 | 81% | 0.813 | S | S | * | * | trans | 118.3 | 103 | 156.1 | -64.9 | -171.4 | 174.4 | 0 | 0 | 115.4 | ||||
| 410 | E | 33.5 | Very low | 38.9 | Very low | 162 Ų | 162 | 159.2 Ų | 159.2 | 76% | 0.757 | 81% | 0.808 | S | S | * | * | 86.3 | 108.6 | 88 | -78.5 | -168.7 | 176 | 0 | 0 | 113.1 | |||||
| 411 | E | 33.8 | Very low | 38.4 | Very low | 171 Ų | 171 | 154.9 Ų | 154.9 | 80% | 0.799 | 80% | 0.798 | S | S | * | * | 65.1 | 130.5 | 108.5 | -63.4 | -164.5 | 165.3 | 0 | 0 | 113.8 | |||||
| 412 | E | 33.6 | Very low | 38 | Very low | 153 Ų | 153 | 158.9 Ų | 158.9 | 72% | 0.715 | 80% | 0.8 | S | S | * | * | -165.1 | 150.8 | 51.2 | -81.1 | -176.7 | 150.6 | 0 | 0 | 112 | |||||
| 413 | E | 36 | Very low | 37.6 | Very low | 159 Ų | 159 | 156.7 Ų | 156.7 | 74% | 0.743 | 79% | 0.792 | S | S | * | * | trans | 47.2 | 125.7 | 135.1 | -55.8 | -171.8 | 161.9 | 0 | 0 | 123.1 | ||||
| 414 | E | 37.1 | Very low | 37.6 | Very low | 182 Ų | 182 | 155.1 Ų | 155.1 | 85% | 0.85 | 78% | 0.783 | S | S | * | * | -176.4 | 143.1 | 82.5 | -93.5 | -157.3 | 168.9 | 0 | 0 | 112 | |||||
| 415 | E | 35.6 | Very low | 37.6 | Very low | 179 Ų | 179 | 155.1 Ų | 155.1 | 84% | 0.836 | 78% | 0.776 | S | S | * | * | trans | -79.2 | 152.7 | 178.9 | -60.8 | 174 | 145.4 | 0 | 0 | 112.7 | ||||
| 416 | D | 37.6 | Very low | 38 | Very low | 168 Ų | 168 | 154.1 Ų | 154.1 | 90% | 0.898 | 77% | 0.772 | S | S | * | * | trans | -153.8 | 115.8 | 130 | -151.5 | 0.5 | 0 | 0 | 0 | 110.7 | ||||
| 417 | E | 37.7 | Very low | 38 | Very low | 170 Ų | 170 | 156.3 Ų | 156.3 | 79% | 0.794 | 79% | 0.788 | S | S | * | * | trans | -74.3 | 144.7 | 175.7 | -71 | -168.8 | 142.2 | 0 | 0 | 110.8 | ||||
| 418 | G | 36.2 | Very low | 38.2 | Very low | 61 Ų | 61 | 154.3 Ų | 154.3 | 63% | 0.629 | 78% | 0.781 | S | S | * | * | 99.9 | 120.4 | 96 | 0 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 419 | T | 36.9 | Very low | 38.4 | Very low | 146 Ų | 146 | 152.6 Ų | 152.6 | 90% | 0.896 | 78% | 0.777 | S | S | * | * | 164.7 | 156.6 | 94.7 | 38 | 0 | 0 | 0 | 0 | 105.7 | |||||
| 420 | D | 41.8 | Very low | 38.7 | Very low | 128 Ų | 128 | 151.7 Ų | 151.7 | 68% | 0.684 | 78% | 0.776 | S | S | * | * | cis | -174.4 | 158 | -16.5 | 177.8 | 23.9 | 0 | 0 | 0 | 104 | ||||
| 421 | S | 45.3 | Very low | 39 | Very low | 93 Ų | 93 | 151.1 Ų | 151.1 | 65% | 0.65 | 78% | 0.777 | S | S | * | * | trans | 84.4 | 137.4 | 148.4 | 88.8 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 422 | Q | 44 | Very low | 39.3 | Very low | 148 Ų | 148 | 149.9 Ų | 149.9 | 69% | 0.692 | 78% | 0.776 | S | S | * | * | cis | 179.8 | 143.2 | -15.7 | -115.4 | -177.4 | -1.5 | 0 | 0 | 104 | ||||
| 423 | L | 39.9 | Very low | 39.7 | Very low | 124 Ų | 124 | 149.7 Ų | 149.7 | 65% | 0.649 | 78% | 0.78 | S | S | * | * | trans | 63.2 | 142.2 | 137.2 | -57.1 | 166.7 | 0 | 0 | 0 | 117.4 | ||||
| 424 | K | 40.3 | Very low | 39.9 | Very low | 154 Ų | 154 | 149 Ų | 149 | 67% | 0.67 | 78% | 0.783 | S | S | * | * | cis | -179 | 153.5 | 11.2 | -121.2 | 175.6 | 163.6 | -173.7 | 0 | 107.8 | ||||
| 425 | D | 42.1 | Very low | 40.1 | Very low | 125 Ų | 125 | 146.5 Ų | 146.5 | 67% | 0.668 | 78% | 0.777 | S | S | * | * | trans | 65.3 | 146 | 135 | -60.6 | -20.3 | 0 | 0 | 0 | 122.6 | ||||
| 426 | E | 43.6 | Very low | 40.5 | Very low | 175 Ų | 175 | 143.8 Ų | 143.8 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | trans | 87.3 | 103.1 | 158.5 | -63.7 | -171.4 | 159.9 | 0 | 0 | 115.5 | ||||
| 427 | L | 40.7 | Very low | 40.8 | Very low | 233 Ų | 233 | 141.5 Ų | 141.5 | 100% | 1.22 | 76% | 0.761 | S | S | * | * | 99.1 | 0 | 75.2 | -122.1 | 152.7 | 0 | 0 | 0 | 110.3 |
Retrieved 427 of 427 residues in 571.4 ms
(Link to these results)