| 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 | 39.3 | Very low | 45.4 | Very low | 229 Ų | 229 | 158.8 Ų | 158.8 | 100% | 1.128 | 84% | 0.84 | S | S | * | * | 0 | 103.1 | 0 | -69.1 | 175.8 | -160.5 | 0 | 0 | 107.1 | |||||
| 2 | V | 43.3 | Very low | 46.4 | Very low | 128 Ų | 128 | 154.8 Ų | 154.8 | 78% | 0.776 | 82% | 0.817 | S | S | * | * | trans | -94 | 130.2 | 177 | 174 | 0 | 0 | 0 | 0 | 105.8 | P4 | V2-P4 HydrophobicContact CG1-CG 4.48Š| ||
| 3 | Y | 47.4 | Very low | 47 | Very low | 218 Ų | 218 | 157.5 Ų | 157.5 | 86% | 0.855 | 82% | 0.818 | S | S | * | * | trans | -110.6 | 116 | 162 | -75.5 | -78.6 | 0 | 0 | 0 | 108 | ||||
| 4 | P | 43.8 | Very low | 47.6 | Very low | 104 Ų | 104 | 155.5 Ų | 155.5 | 68% | 0.675 | 81% | 0.808 | S | S | * | * | trans | -109.3 | 128.6 | 174.8 | 35.4 | -23.8 | 0 | 0 | 0 | 111.5 | V2 | V2-P4 HydrophobicContact CG1-CG 4.48Š| ||
| 5 | I | 52.9 | Low | 48.3 | Very low | 178 Ų | 178 | 150.6 Ų | 150.6 | 91% | 0.913 | 80% | 0.8 | S | S | * | * | trans | -167.9 | 117.4 | 162 | 12 | 172.7 | 0 | 0 | 0 | 104.8 | ||||
| 6 | G | 41.7 | Very low | 49.5 | Very low | 69 Ų | 69 | 151.4 Ų | 151.4 | 71% | 0.711 | 80% | 0.803 | S | S | * | * | 122 | 87.5 | 51.7 | 0 | 0 | 0 | 0 | 0 | 107.8 | |||||
| 7 | S | 44.4 | Very low | 51 | Low | 124 Ų | 124 | 144.1 Ų | 144.1 | 87% | 0.867 | 77% | 0.767 | S | S | * | * | trans | 24.8 | 96.3 | 157.8 | -176.4 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 8 | K | 49.1 | Very low | 53.2 | Low | 195 Ų | 195 | 137.2 Ų | 137.2 | 85% | 0.848 | 73% | 0.73 | S | S | * | * | trans | -151.6 | 122.2 | 156.2 | -67.4 | -165.4 | 172.4 | -179.6 | 0 | 111 | ||||
| 9 | F | 48.6 | Very low | 55.2 | Low | 209 Ų | 209 | 131.5 Ų | 131.5 | 92% | 0.917 | 70% | 0.701 | S | S | * | * | trans | 29.1 | 99.9 | 162 | -73.3 | -91.9 | 0 | 0 | 0 | 118.4 | N11 | F9-N11 PolarHBondContact O-N 3.27Š| ||
| 10 | L | 45.5 | Very low | 57.2 | Low | 156 Ų | 156 | 124.9 Ų | 124.9 | 82% | 0.817 | 67% | 0.666 | S | S | * | * | trans | -76 | 85.4 | 171.7 | -162.9 | 78.4 | 0 | 0 | 0 | 110.3 | I12 | L10-I12 HydrophobicContact CD1-CG1 4.47Å; L10-I12 HydrophobicContact CD2-CD1 3.62Å; L10-I12 HydrophobicContact CD2-CG1 3.69Å; L10-I12 HydrophobicContact CG-CD1 4.17Å; L10-I12 HydrophobicContact CG-CG1 3.64Å; L10-I12 PolarHBondContact O-N 3.04Å | ||
| 11 | N | 43.5 | Very low | 58.9 | Low | 137 Ų | 137 | 120.6 Ų | 120.6 | 73% | 0.733 | 64% | 0.64 | S | S | * | * | trans | -82.5 | 87.7 | 165 | -126.5 | -19.8 | 0 | 0 | 0 | 107.4 | F9 F13 | F9-N11 PolarHBondContact O-N 3.27Å; N11-F13 PolarHBondContact O-N 3.13Å; N11-F13 VanDerWaalsContact O-N 3.13Å | ||
| 12 | I | 57 | Low | 61.5 | Low | 111 Ų | 111 | 112.4 Ų | 112.4 | 57% | 0.569 | 60% | 0.601 | S | S | * | * | trans | -74 | 98.9 | 171.3 | -53.2 | -179.8 | 0 | 0 | 0 | 106.7 | L10 L14 | L10-I12 HydrophobicContact CD1-CG1 4.47Å; L10-I12 HydrophobicContact CD2-CD1 3.62Å; L10-I12 HydrophobicContact CD2-CG1 3.69Å; L10-I12 HydrophobicContact CG-CD1 4.17Å; L10-I12 HydrophobicContact CG-CG1 3.64Å; L10-I12 PolarHBondContact O-N 3.04Å; I12-L14 HydrophobicContact CG2-CD1 4.27Å; I12-L14 HydrophobicContact CG2-CG 3.84Å; I12-L14 PolarHBondContact O-N 2.91Å | ||
| 13 | F | 54.5 | Low | 63.9 | Low | 189 Ų | 189 | 107 Ų | 107 | 83% | 0.829 | 57% | 0.568 | S | S | * | * | trans | -69.1 | 85.1 | 158.6 | -78.7 | -83.9 | 0 | 0 | 0 | 107.4 | N11 A15 | N11-F13 PolarHBondContact O-N 3.13Å; N11-F13 VanDerWaalsContact O-N 3.13Å; F13-A15 PolarHBondContact O-N 2.88Å; F13-A15 VanDerWaalsContact O-N 3.11Å | ||
| 14 | L | 55.8 | Low | 66.2 | Low | 130 Ų | 130 | 99.7 Ų | 99.7 | 68% | 0.681 | 55% | 0.55 | S | S | * | . | trans | -61.4 | 110.4 | 162.2 | -91.1 | 148.5 | 0 | 0 | 0 | 105.9 | I12 L16 | I12-L14 HydrophobicContact CG2-CD1 4.27Å; I12-L14 HydrophobicContact CG2-CG 3.84Å; I12-L14 PolarHBondContact O-N 2.91Å; L14-L16 VanDerWaalsContact C-N 3.25Å; L14-L16 PolarHBondContact O-N 3.11Å | ||
| 15 | A | 57.8 | Low | 68.6 | Low | 82 Ų | 82 | 94.8 Ų | 94.8 | 68% | 0.678 | 52% | 0.518 | S | S | * | . | trans | -65.5 | 93.6 | 167.7 | 0 | 0 | 0 | 0 | 0 | 107 | F13 C17 | F13-A15 PolarHBondContact O-N 2.88Å; F13-A15 VanDerWaalsContact O-N 3.11Å; A15-C17 PolarHBondContact O-N 3.45Å; A15-C17 VanDerWaalsContact O-N 3.1Å | ||
| 16 | L | 66.9 | Low | 70.6 | Confident | 163 Ų | 163 | 89.8 Ų | 89.8 | 85% | 0.853 | 50% | 0.495 | S | S | * | . | trans | -70.1 | 106.7 | 179.4 | -69 | 168.5 | 0 | 0 | 0 | 107.7 | L14 | L14-L16 VanDerWaalsContact C-N 3.25Å; L14-L16 PolarHBondContact O-N 3.11Å | ||
| 17 | C | 75.9 | Confident | 73.1 | Confident | 28 Ų | 28 | 89.8 Ų | 89.8 | 19% | 0.189 | 48% | 0.479 | C | S | . | . | P | Polyproline II helix | trans | -77.8 | 138.1 | 169.3 | -64.5 | 0 | 0 | 0 | 0 | 108.1 | A15 E50 P63 | A15-C17 PolarHBondContact O-N 3.45Å; A15-C17 VanDerWaalsContact O-N 3.1Å; C17-E50 VanDerWaalsContact CB-CA 3.46Å; C17-E50 HydrophobicContact CB-CB 4.02Å; C17-E50 HydrophobicContact CB-CG 4.4Å; C17-P63 HydrophobicContact CB-CB 4.5Å; C17-P63 WeakPolarHBondContact SG-CB 3.42Å |
| 18 | L | 89.6 | Confident | 75.4 | Confident | 20 Ų | 20 | 89 Ų | 89 | 11% | 0.105 | 46% | 0.461 | C | S | . | . | P | Polyproline II helix | trans | -66.6 | 144.1 | 179.1 | -163.9 | 67.7 | 0 | 0 | 0 | 110.9 | C51 A64 C67 | L18-C51 WeakPolarHBondContact O-CB 3.48Å; L18-C51 PolarHBondContact O-N 2.64Å; L18-A64 WeakPolarHBondContact CB-O 3.29Å; L18-A64 PolarHBondContact N-O 2.01Å; L18-C67 HydrophobicContact CD2-CB 4.49Å; L18-C67 WeakPolarHBondContact CD2-SG 3.49Å |
| 19 | T | 92.7 | Very high | 77.6 | Confident | 28 Ų | 28 | 83.8 Ų | 83.8 | 17% | 0.172 | 45% | 0.449 | C | S | . | . | P | Polyproline II helix | trans | -96.2 | 125 | 171.1 | -56.3 | 0 | 0 | 0 | 0 | 109.2 | L47 Q48 D124 G125 | T19-L47 HydrophobicContact CG2-CD1 3.45Å; T19-L47 VanDerWaalsContact CG2-CD1 3.45Å; T19-L47 HydrophobicContact CG2-CD2 3.96Å; T19-L47 HydrophobicContact CG2-CG 3.43Å; T19-L47 VanDerWaalsContact CG2-CG 3.43Å; T19-Q48 WeakPolarHBondContact CA-O 3.32Å; T19-Q48 WeakPolarHBondContact CG2-O 3.4Å; T19-D124 WeakPolarHBondContact CB-OD1 3.32Å; T19-D124 PolarHBondContact N-OD1 3.28Å; T19-D124 CarbonylContact O-C 3.52Å; T19-D124 WeakPolarHBondContact O-CA 3.37Å; T19-D124 PolarHBondContact OG1-OD1 2.82Å; T19-G125 PolarHBondContact O-N 3.37Å |
| 20 | C | 93.9 | Very high | 79.7 | Confident | 0 Ų | 0 | 75 Ų | 75 | 0% | 0 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 163.4 | 179.8 | -57.1 | 0 | 0 | 0 | 0 | 111.7 | L22 Q48 C67 C85 | C20-L22 HydrophobicContact CB-CD1 4.02Å; C20-L22 WeakPolarHBondContact O-CD1 3.4Å; C20-Q48 PolarHBondContact N-O 3.23Å; C20-Q48 PolarHBondContact O-N 3.13Å; C20-C67 VanDerWaalsContact CA-SG 3.56Å; C20-C67 HydrophobicContact CB-CB 3.75Å; C20-C67 WeakPolarHBondContact CB-SG 3.14Å; C20-C67 WeakPolarHBondContact SG-CA 3.09Å; C20-C67 WeakPolarHBondContact SG-CB 3.28Å; C20-C67 CovalentContact SG-SG 2.03Å; C20-C67 PolarHBondContact SG-SG 3.4Å; C20-C85 WeakPolarHBondContact CB-SG 3.28Å |
| 21 | Y | 93.6 | Very high | 81.8 | Confident | 34 Ų | 34 | 71.3 Ų | 71.3 | 13% | 0.133 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 134.3 | 164.4 | -65.8 | -73.4 | 0 | 0 | 0 | 110.3 | F37 T39 Y46 L47 R83 G125 N127 A128 | Y21-F37 AromaticContact CD1-CE1 3.53Å; Y21-F37 HydrophobicContact CD1-CE1 3.53Å; Y21-F37 HydrophobicContact CD1-CE2 4.4Å; Y21-F37 AromaticContact CD1-CZ 3.26Å; Y21-F37 HydrophobicContact CD1-CZ 3.26Å; Y21-F37 HydrophobicContact CD2-CE1 4.07Å; Y21-F37 HydrophobicContact CD2-CZ 4.44Å; Y21-F37 AromaticContact CE1-CE1 3.46Å; Y21-F37 HydrophobicContact CE1-CE1 3.46Å; Y21-F37 VanDerWaalsContact CE1-CE1 3.46Å; Y21-F37 AromaticContact CE1-CZ 3.57Å; Y21-F37 HydrophobicContact CE1-CZ 3.57Å; Y21-F37 HydrophobicContact CE2-CE1 4.04Å; Y21-F37 AromaticContact CG-CE1 3.82Å; Y21-F37 HydrophobicContact CG-CE1 3.82Å; Y21-F37 AromaticContact CG-CZ 3.74Å; Y21-F37 HydrophobicContact CG-CZ 3.74Å; Y21-F37 AromaticContact CZ-CE1 3.74Å; Y21-T39 HydrophobicContact CE1-CG2 4.08Å; Y21-T39 WeakPolarHBondContact OH-CG2 2.9Å; Y21-Y46 CarbonylContact C-O 3.57Å; Y21-Y46 WeakPolarHBondContact CA-O 2.98Å; Y21-L47 HydrophobicContact CD1-CB 4.22Å; Y21-L47 HydrophobicContact CD1-CD1 4.1Å; Y21-L47 HydrophobicContact CD2-CD1 4.49Å; Y21-L47 HydrophobicContact CE1-CB 3.96Å; Y21-L47 HydrophobicContact CE1-CD1 3.79Å; Y21-L47 HydrophobicContact CE1-CG 4.45Å; Y21-L47 HydrophobicContact CE2-CD1 4.18Å; Y21-L47 HydrophobicContact CG-CD1 4.45Å; Y21-R83 CarbonylContact O-C 3.57Å; Y21-R83 WeakPolarHBondContact O-CB 3.37Å; Y21-G125 WeakPolarHBondContact CE2-O 3.29Å; Y21-N127 WeakPolarHBondContact CB-OD1 3.31Å; Y21-N127 WeakPolarHBondContact CD2-OD1 3.09Å; Y21-N127 PolarHBondContact N-OD1 3.1Å; Y21-N127 PolarHBondContact O-ND2 3.23Å; Y21-A128 HydrophobicContact CD2-CB 4.14Å; Y21-A128 HydrophobicContact CE2-CB 3.84Å |
| 22 | L | 93.8 | Very high | 83.9 | Confident | 57 Ų | 57 | 69.6 Ų | 69.6 | 30% | 0.298 | 38% | 0.382 | S | S | . | . | trans | -123.3 | 112.4 | 177.5 | -82.2 | 65.3 | 0 | 0 | 0 | 109.4 | C20 Y46 Q48 R83 C85 | C20-L22 HydrophobicContact CB-CD1 4.02Å; C20-L22 WeakPolarHBondContact O-CD1 3.4Å; L22-Y46 PolarHBondContact N-O 3.17Å; L22-Y46 WeakPolarHBondContact O-CB 3.35Å; L22-Y46 WeakPolarHBondContact O-CD1 3.39Å; L22-Q48 HydrophobicContact CD1-CB 3.5Å; L22-Q48 HydrophobicContact CD1-CG 4.3Å; L22-Q48 HydrophobicContact CD2-CB 3.92Å; L22-Q48 HydrophobicContact CD2-CG 4Å; L22-Q48 HydrophobicContact CG-CB 4.19Å; L22-R83 WeakPolarHBondContact CA-O 3.34Å; L22-C85 WeakPolarHBondContact CD1-SG 3.34Å | ||
| 23 | C | 94.3 | Very high | 85.5 | Confident | 14 Ų | 14 | 64.3 Ų | 64.3 | 10% | 0.095 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.7 | 160.2 | 175.6 | 67.3 | 0 | 0 | 0 | 0 | 110.3 | C33 Y46 V82 R83 | C23-C33 HydrophobicContact CB-CB 3.57Å; C23-C33 WeakPolarHBondContact CB-SG 3.47Å; C23-C33 VanDerWaalsContact SG-CA 3.57Å; C23-C33 WeakPolarHBondContact SG-CB 3.32Å; C23-C33 CovalentContact SG-SG 2.03Å; C23-C33 PolarHBondContact SG-SG 3.23Å; C23-Y46 HydrophobicContact CB-CD1 3.56Å; C23-Y46 HydrophobicContact CB-CD2 4.23Å; C23-Y46 HydrophobicContact CB-CE1 3.77Å; C23-Y46 HydrophobicContact CB-CE2 4.39Å; C23-Y46 HydrophobicContact CB-CG 3.79Å; C23-V82 WeakPolarHBondContact O-CA 3.49Å; C23-R83 PolarHBondContact N-O 3.08Å; C23-R83 PolarHBondContact O-N 2.97Å; C23-R83 PolarHBondContact SG-NH1 3.41Å |
| 24 | S | 94.7 | Very high | 87.2 | Confident | 66 Ų | 66 | 56.5 Ų | 56.5 | 46% | 0.462 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 131.7 | 173.6 | -175.2 | 0 | 0 | 0 | 0 | 109.3 | V81 | S24-V81 CarbonylContact C-O 3.47Å; S24-V81 WeakPolarHBondContact CA-O 3.14Å |
| 25 | S | 94.6 | Very high | 88.1 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 125.6 | 172.4 | -175.3 | 0 | 0 | 0 | 0 | 108.6 | H28 S29 D30 E34 V80 V81 | S25-H28 WeakPolarHBondContact OG-CA 2.92Å; S25-S29 PolarHBondContact OG-N 3.3Å; S25-D30 PolarHBondContact OG-N 2.96Å; S25-D30 PolarHBondContact OG-O 2.96Å; S25-E34 VanDerWaalsContact CB-OE1 3.28Å; S25-E34 WeakPolarHBondContact CB-OE1 3.33Å; S25-E34 PolarHBondContact OG-OE1 2.56Å; S25-V80 CarbonylContact O-C 3.42Å; S25-V80 WeakPolarHBondContact O-CA 3.41Å; S25-V81 PolarHBondContact N-O 3.46Å; S25-V81 PolarHBondContact O-N 2.8Å |
| 26 | V | 94.5 | Very high | 88.7 | Confident | 73 Ų | 73 | 54.4 Ų | 54.4 | 44% | 0.442 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 125.3 | 170.5 | -178.3 | 0 | 0 | 0 | 0 | 106.6 | H28 S29 T79 V80 | V26-H28 PolarHBondContact O-N 3.27Å; V26-S29 PolarHBondContact N-OG 1.97Å; V26-S29 WeakPolarHBondContact O-CB 3.13Å; V26-S29 PolarHBondContact O-N 2.84Å; V26-S29 PolarHBondContact O-OG 2.89Å; V26-T79 CarbonylContact C-O 3.55Å; V26-T79 WeakPolarHBondContact CA-O 3.16Å; V26-V80 HydrophobicContact CG2-CG2 4.38Å |
| 27 | N | 94.4 | Very high | 88.5 | Confident | 70 Ų | 70 | 47.6 Ų | 47.6 | 37% | 0.374 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.3 | 42.4 | -176.3 | -62.2 | -29.1 | 0 | 0 | 0 | 113.4 | S29 Y78 T79 | N27-S29 PolarHBondContact O-N 3.17Å; N27-Y78 WeakPolarHBondContact ND2-CD1 3.39Å; N27-Y78 WeakPolarHBondContact ND2-CE1 3.3Å; N27-Y78 WeakPolarHBondContact OD1-CA 3.4Å; N27-Y78 VanDerWaalsContact OD1-CB 3.31Å; N27-Y78 WeakPolarHBondContact OD1-CB 3.35Å; N27-Y78 VanDerWaalsContact OD1-CD1 3.26Å; N27-Y78 WeakPolarHBondContact OD1-CD1 3.49Å; N27-T79 WeakPolarHBondContact CA-OG1 3.39Å; N27-T79 PolarHBondContact N-O 2.92Å; N27-T79 PolarHBondContact OD1-N 3.14Å |
| 28 | H | 93 | Very high | 88.1 | Confident | 106 Ų | 106 | 49.6 Ų | 49.6 | 49% | 0.491 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.2 | 27.2 | -179.2 | -49.1 | -56.8 | 0 | 0 | 0 | 114 | S25 V26 D30 E34 T79 | S25-H28 WeakPolarHBondContact OG-CA 2.92Å; V26-H28 PolarHBondContact O-N 3.27Å; H28-D30 PolarHBondContact O-N 3.33Å; H28-E34 WeakPolarHBondContact CA-OE1 3.3Å; H28-E34 IonicContact CE1-OE1 2.7Å; H28-E34 IonicContact CE1-OE2 3.43Å; H28-E34 IonicContact CG-OE1 2.81Å; H28-E34 IonicContact ND1-OE1 3.36Å; H28-E34 PolarHBondContact ND1-OE1 3.04Å; H28-E34 IonicContact ND1-OE2 3.4Å; H28-E34 PolarHBondContact ND1-OE2 2.86Å; H28-T79 PolarHBondContact CE1-OG1 2.95Å; H28-T79 PolarHBondContact NE2-OG1 3.27Å |
| 29 | S | 95.1 | Very high | 86.9 | Confident | 86 Ų | 86 | 51 Ų | 51 | 60% | 0.601 | 28% | 0.284 | S | S | * | . | S | Bend | trans | -58.6 | -27.6 | 174 | 62.1 | 0 | 0 | 0 | 0 | 112.6 | S25 V26 N27 | S25-S29 PolarHBondContact OG-N 3.3Å; V26-S29 PolarHBondContact N-OG 1.97Å; V26-S29 WeakPolarHBondContact O-CB 3.13Å; V26-S29 PolarHBondContact O-N 2.84Å; V26-S29 PolarHBondContact O-OG 2.89Å; N27-S29 PolarHBondContact O-N 3.17Å |
| 30 | D | 92.8 | Very high | 85.8 | Confident | 26 Ų | 26 | 55.1 Ų | 55.1 | 14% | 0.139 | 31% | 0.305 | C | S | . | . | trans | -128.2 | 93 | 174.7 | -175.5 | -9.8 | 0 | 0 | 0 | 110.5 | S25 H28 Y32 C33 Y46 | S25-D30 PolarHBondContact OG-N 2.96Å; S25-D30 PolarHBondContact OG-O 2.96Å; H28-D30 PolarHBondContact O-N 3.33Å; D30-Y32 PolarHBondContact O-N 3.36Å; D30-Y32 VanDerWaalsContact O-N 3.13Å; D30-Y32 WeakPolarHBondContact OD1-CB 2.9Å; D30-Y32 PolarHBondContact OD1-N 3.27Å; D30-C33 HydrophobicContact CB-CB 3.97Å; D30-C33 PolarHBondContact O-N 3.24Å; D30-C33 VanDerWaalsContact O-N 3.09Å; D30-C33 PolarHBondContact OD1-N 2.76Å; D30-Y46 PolarHBondContact OD1-OH 3.16Å; D30-Y46 PolarHBondContact OD2-OH 3.11Å | ||
| 31 | P | 88.7 | Confident | 84.8 | Confident | 78 Ų | 78 | 58.8 Ų | 58.8 | 51% | 0.506 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -25 | 178.9 | -25.3 | 34.8 | 0 | 0 | 0 | 114 | E34 | P31-E34 PolarHBondContact O-N 3.04Š|
| 32 | Y | 87.8 | Confident | 84 | Confident | 101 Ų | 101 | 64.3 Ų | 64.3 | 40% | 0.396 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | -23.6 | -178.7 | -53.8 | -68.3 | 0 | 0 | 0 | 112 | D30 E34 F37 Y41 V44 | D30-Y32 PolarHBondContact O-N 3.36Å; D30-Y32 VanDerWaalsContact O-N 3.13Å; D30-Y32 WeakPolarHBondContact OD1-CB 2.9Å; D30-Y32 PolarHBondContact OD1-N 3.27Å; Y32-E34 VanDerWaalsContact C-N 3.33Å; Y32-F37 WeakPolarHBondContact O-CD2 3.47Å; Y32-Y41 AromaticContact CD1-CD1 3.68Å; Y32-Y41 HydrophobicContact CD1-CD1 3.68Å; Y32-Y41 AromaticContact CD1-CD2 3.37Å; Y32-Y41 HydrophobicContact CD1-CD2 3.37Å; Y32-Y41 AromaticContact CD1-CE1 3.85Å; Y32-Y41 HydrophobicContact CD1-CE1 3.85Å; Y32-Y41 AromaticContact CD1-CE2 3.56Å; Y32-Y41 HydrophobicContact CD1-CE2 3.56Å; Y32-Y41 AromaticContact CD1-CG 3.44Å; Y32-Y41 HydrophobicContact CD1-CG 3.44Å; Y32-Y41 VanDerWaalsContact CD1-CG 3.44Å; Y32-Y41 AromaticContact CD1-CZ 3.81Å; Y32-Y41 AromaticContact CE1-CD1 3.56Å; Y32-Y41 HydrophobicContact CE1-CD1 3.56Å; Y32-Y41 HydrophobicContact CE1-CD2 4.13Å; Y32-Y41 AromaticContact CE1-CE1 3.84Å; Y32-Y41 HydrophobicContact CE1-CE1 3.84Å; Y32-Y41 HydrophobicContact CE1-CE2 4.38Å; Y32-Y41 AromaticContact CE1-CG 3.73Å; Y32-Y41 HydrophobicContact CE1-CG 3.73Å; Y32-Y41 HydrophobicContact CG-CD2 4.2Å; Y32-Y41 HydrophobicContact CG-CE2 4.47Å; Y32-Y41 HydrophobicContact CG-CG 4.49Å; Y32-V44 HydrophobicContact CD1-CG2 4.48Å; Y32-V44 HydrophobicContact CD2-CG2 4.08Å; Y32-V44 HydrophobicContact CE2-CG2 4.2Å; Y32-V44 HydrophobicContact CG-CG1 4.29Å; Y32-V44 HydrophobicContact CG-CG2 4.21Å |
| 33 | C | 91.5 | Very high | 83.3 | Confident | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 38% | 0.384 | C | S | . | . | S | Bend | trans | -82 | -6.3 | 171.7 | -170.9 | 0 | 0 | 0 | 0 | 113.1 | C23 D30 V81 R83 | C23-C33 HydrophobicContact CB-CB 3.57Å; C23-C33 WeakPolarHBondContact CB-SG 3.47Å; C23-C33 VanDerWaalsContact SG-CA 3.57Å; C23-C33 WeakPolarHBondContact SG-CB 3.32Å; C23-C33 CovalentContact SG-SG 2.03Å; C23-C33 PolarHBondContact SG-SG 3.23Å; D30-C33 HydrophobicContact CB-CB 3.97Å; D30-C33 PolarHBondContact O-N 3.24Å; D30-C33 VanDerWaalsContact O-N 3.09Å; D30-C33 PolarHBondContact OD1-N 2.76Å; C33-V81 VanDerWaalsContact O-CG1 3.28Å; C33-V81 WeakPolarHBondContact O-CG1 3.01Å; C33-R83 PolarHBondContact O-NH1 2.96Å |
| 34 | E | 90.8 | Very high | 82.7 | Confident | 25 Ų | 25 | 66.8 Ų | 66.8 | 12% | 0.117 | 39% | 0.391 | C | S | . | . | S | Bend | trans | -68.9 | 170.1 | -179.9 | -65.7 | -60.6 | 158.4 | 0 | 0 | 113.1 | S25 H28 P31 Y32 T36 F37 V81 | S25-E34 VanDerWaalsContact CB-OE1 3.28Å; S25-E34 WeakPolarHBondContact CB-OE1 3.33Å; S25-E34 PolarHBondContact OG-OE1 2.56Å; H28-E34 WeakPolarHBondContact CA-OE1 3.3Å; H28-E34 IonicContact CE1-OE1 2.7Å; H28-E34 IonicContact CE1-OE2 3.43Å; H28-E34 IonicContact CG-OE1 2.81Å; H28-E34 IonicContact ND1-OE1 3.36Å; H28-E34 PolarHBondContact ND1-OE1 3.04Å; H28-E34 IonicContact ND1-OE2 3.4Å; H28-E34 PolarHBondContact ND1-OE2 2.86Å; P31-E34 PolarHBondContact O-N 3.04Å; Y32-E34 VanDerWaalsContact C-N 3.33Å; E34-T36 PolarHBondContact O-N 3.16Å; E34-T36 VanDerWaalsContact O-N 3.12Å; E34-F37 VanDerWaalsContact O-CA 3.31Å; E34-F37 WeakPolarHBondContact O-CA 3.41Å; E34-F37 VanDerWaalsContact O-CB 3.28Å; E34-F37 WeakPolarHBondContact O-CB 3.25Å; E34-F37 PolarHBondContact O-N 3.06Å; E34-V81 WeakPolarHBondContact OE2-CG2 3.22Å |
| 35 | D | 74.5 | Confident | 82.3 | Confident | 62 Ų | 62 | 69.7 Ų | 69.7 | 33% | 0.332 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -10.5 | -175.7 | -96.8 | 8.9 | 0 | 0 | 0 | 115.7 | F37 K69 R83 | D35-F37 PolarHBondContact O-N 2.82Å; D35-K69 WeakPolarHBondContact OD1-CE 2.94Å; D35-K69 IonicContact OD1-NZ 3.12Å; D35-K69 PolarHBondContact OD1-NZ 3.14Å; D35-K69 IonicContact OD2-NZ 2.73Å; D35-K69 PolarHBondContact OD2-NZ 2.92Å; D35-R83 IonicContact OD1-NH2 3.34Å; D35-R83 PolarHBondContact OD1-NH2 3.24Å |
| 36 | T | 68.7 | Low | 82.2 | Confident | 106 Ų | 106 | 72.1 Ų | 72.1 | 65% | 0.65 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.6 | 6.4 | 162.5 | 50 | 0 | 0 | 0 | 0 | 113.1 | E34 N38 | E34-T36 PolarHBondContact O-N 3.16Å; E34-T36 VanDerWaalsContact O-N 3.12Å; T36-N38 PolarHBondContact O-N 2.84Å |
| 37 | F | 64.2 | Low | 82 | Confident | 19 Ų | 19 | 71.5 Ų | 71.5 | 8% | 0.083 | 40% | 0.404 | C | S | . | . | trans | -29.7 | 95 | -178.7 | -165.5 | -98.6 | 0 | 0 | 0 | 112.3 | Y21 Y32 E34 D35 T39 Y46 A128 | Y21-F37 AromaticContact CD1-CE1 3.53Å; Y21-F37 HydrophobicContact CD1-CE1 3.53Å; Y21-F37 HydrophobicContact CD1-CE2 4.4Å; Y21-F37 AromaticContact CD1-CZ 3.26Å; Y21-F37 HydrophobicContact CD1-CZ 3.26Å; Y21-F37 HydrophobicContact CD2-CE1 4.07Å; Y21-F37 HydrophobicContact CD2-CZ 4.44Å; Y21-F37 AromaticContact CE1-CE1 3.46Å; Y21-F37 HydrophobicContact CE1-CE1 3.46Å; Y21-F37 VanDerWaalsContact CE1-CE1 3.46Å; Y21-F37 AromaticContact CE1-CZ 3.57Å; Y21-F37 HydrophobicContact CE1-CZ 3.57Å; Y21-F37 HydrophobicContact CE2-CE1 4.04Å; Y21-F37 AromaticContact CG-CE1 3.82Å; Y21-F37 HydrophobicContact CG-CE1 3.82Å; Y21-F37 AromaticContact CG-CZ 3.74Å; Y21-F37 HydrophobicContact CG-CZ 3.74Å; Y21-F37 AromaticContact CZ-CE1 3.74Å; Y32-F37 WeakPolarHBondContact O-CD2 3.47Å; E34-F37 VanDerWaalsContact O-CA 3.31Å; E34-F37 WeakPolarHBondContact O-CA 3.41Å; E34-F37 VanDerWaalsContact O-CB 3.28Å; E34-F37 WeakPolarHBondContact O-CB 3.25Å; E34-F37 PolarHBondContact O-N 3.06Å; D35-F37 PolarHBondContact O-N 2.82Å; F37-T39 HydrophobicContact CD1-CG2 4.05Å; F37-T39 HydrophobicContact CE1-CG2 3.61Å; F37-Y46 AromaticContact CE2-CD2 3.59Å; F37-Y46 HydrophobicContact CE2-CD2 3.59Å; F37-Y46 HydrophobicContact CE2-CE2 4.29Å; F37-Y46 HydrophobicContact CE2-CG 4.45Å; F37-Y46 HydrophobicContact CZ-CD2 4.04Å; F37-A128 HydrophobicContact CD1-CB 4.46Å | ||
| 38 | N | 66.8 | Low | 81.9 | Confident | 70 Ų | 70 | 72.4 Ų | 72.4 | 37% | 0.374 | 41% | 0.406 | S | S | . | . | trans | -94.5 | 119.6 | 171.1 | -172.5 | -0.5 | 0 | 0 | 0 | 106.5 | T36 D40 Y41 | T36-N38 PolarHBondContact O-N 2.84Å; N38-D40 PolarHBondContact O-N 2.81Å; N38-D40 VanDerWaalsContact O-N 3.16Å; N38-D40 WeakPolarHBondContact OD1-CB 3.12Å; N38-D40 PolarHBondContact OD1-N 3.13Å; N38-D40 VanDerWaalsContact OD1-N 3.11Å; N38-Y41 HydrophobicContact CB-CD2 4.08Å; N38-Y41 HydrophobicContact CB-CE1 4.48Å; N38-Y41 HydrophobicContact CB-CE2 3.49Å; N38-Y41 VanDerWaalsContact CB-CE2 3.49Å; N38-Y41 WeakPolarHBondContact O-CD2 3.37Å; N38-Y41 VanDerWaalsContact O-CE2 3.25Å; N38-Y41 WeakPolarHBondContact O-CE2 3.18Å | ||
| 39 | T | 65 | Low | 81.8 | Confident | 49 Ų | 49 | 71 Ų | 71 | 30% | 0.301 | 41% | 0.406 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -12 | 177.3 | 45.3 | 0 | 0 | 0 | 0 | 112.7 | Y21 F37 | Y21-T39 HydrophobicContact CE1-CG2 4.08Å; Y21-T39 WeakPolarHBondContact OH-CG2 2.9Å; F37-T39 HydrophobicContact CD1-CG2 4.05Å; F37-T39 HydrophobicContact CE1-CG2 3.61Å |
| 40 | D | 68.3 | Low | 81.6 | Confident | 115 Ų | 115 | 73.9 Ų | 73.9 | 62% | 0.615 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.7 | 17.8 | -163.7 | -51.6 | -14.3 | 0 | 0 | 0 | 112.4 | N38 V42 | N38-D40 PolarHBondContact O-N 2.81Å; N38-D40 VanDerWaalsContact O-N 3.16Å; N38-D40 WeakPolarHBondContact OD1-CB 3.12Å; N38-D40 PolarHBondContact OD1-N 3.13Å; N38-D40 VanDerWaalsContact OD1-N 3.11Å; D40-V42 PolarHBondContact O-N 3.22Å |
| 41 | Y | 74.1 | Confident | 81.6 | Confident | 77 Ų | 77 | 72.7 Ų | 72.7 | 30% | 0.302 | 40% | 0.404 | S | S | . | . | trans | -71.2 | 116.1 | 173.6 | -66.8 | -66.1 | 0 | 0 | 0 | 110.1 | Y32 N38 G43 V44 | Y32-Y41 AromaticContact CD1-CD1 3.68Å; Y32-Y41 HydrophobicContact CD1-CD1 3.68Å; Y32-Y41 AromaticContact CD1-CD2 3.37Å; Y32-Y41 HydrophobicContact CD1-CD2 3.37Å; Y32-Y41 AromaticContact CD1-CE1 3.85Å; Y32-Y41 HydrophobicContact CD1-CE1 3.85Å; Y32-Y41 AromaticContact CD1-CE2 3.56Å; Y32-Y41 HydrophobicContact CD1-CE2 3.56Å; Y32-Y41 AromaticContact CD1-CG 3.44Å; Y32-Y41 HydrophobicContact CD1-CG 3.44Å; Y32-Y41 VanDerWaalsContact CD1-CG 3.44Å; Y32-Y41 AromaticContact CD1-CZ 3.81Å; Y32-Y41 AromaticContact CE1-CD1 3.56Å; Y32-Y41 HydrophobicContact CE1-CD1 3.56Å; Y32-Y41 HydrophobicContact CE1-CD2 4.13Å; Y32-Y41 AromaticContact CE1-CE1 3.84Å; Y32-Y41 HydrophobicContact CE1-CE1 3.84Å; Y32-Y41 HydrophobicContact CE1-CE2 4.38Å; Y32-Y41 AromaticContact CE1-CG 3.73Å; Y32-Y41 HydrophobicContact CE1-CG 3.73Å; Y32-Y41 HydrophobicContact CG-CD2 4.2Å; Y32-Y41 HydrophobicContact CG-CE2 4.47Å; Y32-Y41 HydrophobicContact CG-CG 4.49Å; N38-Y41 HydrophobicContact CB-CD2 4.08Å; N38-Y41 HydrophobicContact CB-CE1 4.48Å; N38-Y41 HydrophobicContact CB-CE2 3.49Å; N38-Y41 VanDerWaalsContact CB-CE2 3.49Å; N38-Y41 WeakPolarHBondContact O-CD2 3.37Å; N38-Y41 VanDerWaalsContact O-CE2 3.25Å; N38-Y41 WeakPolarHBondContact O-CE2 3.18Å; Y41-G43 PolarHBondContact O-N 3.01Å; Y41-V44 PolarHBondContact O-N 3.42Å; Y41-V44 VanDerWaalsContact O-N 3.08Å | ||
| 42 | V | 75.6 | Confident | 81.7 | Confident | 151 Ų | 151 | 73.1 Ų | 73.1 | 92% | 0.915 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | 122 | 178.7 | -178.8 | 0 | 0 | 0 | 0 | 109.8 | D40 | D40-V42 PolarHBondContact O-N 3.22Š|
| 43 | G | 80.4 | Confident | 81.8 | Confident | 84 Ų | 84 | 68.3 Ų | 68.3 | 87% | 0.866 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.3 | 0.2 | 178 | 0 | 0 | 0 | 0 | 0 | 115.3 | Y41 | Y41-G43 PolarHBondContact O-N 3.01Š|
| 44 | V | 82.3 | Confident | 81.5 | Confident | 39 Ų | 39 | 72.4 Ų | 72.4 | 24% | 0.236 | 41% | 0.408 | C | S | . | . | trans | -112.8 | 114.3 | 176.1 | -176.7 | 0 | 0 | 0 | 0 | 108.9 | Y32 Y41 Y46 | Y32-V44 HydrophobicContact CD1-CG2 4.48Å; Y32-V44 HydrophobicContact CD2-CG2 4.08Å; Y32-V44 HydrophobicContact CE2-CG2 4.2Å; Y32-V44 HydrophobicContact CG-CG1 4.29Å; Y32-V44 HydrophobicContact CG-CG2 4.21Å; Y41-V44 PolarHBondContact O-N 3.42Å; Y41-V44 VanDerWaalsContact O-N 3.08Å; V44-Y46 HydrophobicContact CG1-CD2 3.82Å; V44-Y46 HydrophobicContact CG1-CE1 4.34Å; V44-Y46 HydrophobicContact CG1-CE2 3.21Å | ||
| 45 | N | 86 | Confident | 81.1 | Confident | 126 Ų | 126 | 75 Ų | 75 | 67% | 0.674 | 42% | 0.417 | S | S | * | . | trans | -131.7 | 103.9 | 176.6 | -175.4 | 17.9 | 0 | 0 | 0 | 110.5 | L47 | N45-L47 WeakPolarHBondContact OD1-CB 3.26Å; N45-L47 PolarHBondContact OD1-N 2.98Å | ||
| 46 | Y | 91.1 | Very high | 81.2 | Confident | 52 Ų | 52 | 76.6 Ų | 76.6 | 20% | 0.204 | 42% | 0.421 | C | S | . | . | trans | -90.9 | -3.8 | 173.2 | -62.3 | -61.7 | 0 | 0 | 0 | 113.1 | Y21 L22 C23 D30 F37 V44 Q48 | Y21-Y46 CarbonylContact C-O 3.57Å; Y21-Y46 WeakPolarHBondContact CA-O 2.98Å; L22-Y46 PolarHBondContact N-O 3.17Å; L22-Y46 WeakPolarHBondContact O-CB 3.35Å; L22-Y46 WeakPolarHBondContact O-CD1 3.39Å; C23-Y46 HydrophobicContact CB-CD1 3.56Å; C23-Y46 HydrophobicContact CB-CD2 4.23Å; C23-Y46 HydrophobicContact CB-CE1 3.77Å; C23-Y46 HydrophobicContact CB-CE2 4.39Å; C23-Y46 HydrophobicContact CB-CG 3.79Å; D30-Y46 PolarHBondContact OD1-OH 3.16Å; D30-Y46 PolarHBondContact OD2-OH 3.11Å; F37-Y46 AromaticContact CE2-CD2 3.59Å; F37-Y46 HydrophobicContact CE2-CD2 3.59Å; F37-Y46 HydrophobicContact CE2-CE2 4.29Å; F37-Y46 HydrophobicContact CE2-CG 4.45Å; F37-Y46 HydrophobicContact CZ-CD2 4.04Å; V44-Y46 HydrophobicContact CG1-CD2 3.82Å; V44-Y46 HydrophobicContact CG1-CE1 4.34Å; V44-Y46 HydrophobicContact CG1-CE2 3.21Å; Y46-Q48 PolarHBondContact O-N 2.96Å; Y46-Q48 VanDerWaalsContact O-N 3.17Å | ||
| 47 | L | 90.9 | Very high | 81.7 | Confident | 59 Ų | 59 | 78.5 Ų | 78.5 | 31% | 0.309 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 112.5 | 179.3 | -166.6 | 70 | 0 | 0 | 0 | 108.4 | T19 Y21 N45 P49 | T19-L47 HydrophobicContact CG2-CD1 3.45Å; T19-L47 VanDerWaalsContact CG2-CD1 3.45Å; T19-L47 HydrophobicContact CG2-CD2 3.96Å; T19-L47 HydrophobicContact CG2-CG 3.43Å; T19-L47 VanDerWaalsContact CG2-CG 3.43Å; Y21-L47 HydrophobicContact CD1-CB 4.22Å; Y21-L47 HydrophobicContact CD1-CD1 4.1Å; Y21-L47 HydrophobicContact CD2-CD1 4.49Å; Y21-L47 HydrophobicContact CE1-CB 3.96Å; Y21-L47 HydrophobicContact CE1-CD1 3.79Å; Y21-L47 HydrophobicContact CE1-CG 4.45Å; Y21-L47 HydrophobicContact CE2-CD1 4.18Å; Y21-L47 HydrophobicContact CG-CD1 4.45Å; N45-L47 WeakPolarHBondContact OD1-CB 3.26Å; N45-L47 PolarHBondContact OD1-N 2.98Å; L47-P49 WeakPolarHBondContact O-CD 3.49Å |
| 48 | Q | 91.9 | Very high | 82.6 | Confident | 90 Ų | 90 | 85.7 Ų | 85.7 | 42% | 0.421 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 108.7 | 176.4 | 179.9 | 59.9 | 57.1 | 0 | 0 | 109.1 | T19 C20 L22 Y46 C51 | T19-Q48 WeakPolarHBondContact CA-O 3.32Å; T19-Q48 WeakPolarHBondContact CG2-O 3.4Å; C20-Q48 PolarHBondContact N-O 3.23Å; C20-Q48 PolarHBondContact O-N 3.13Å; L22-Q48 HydrophobicContact CD1-CB 3.5Å; L22-Q48 HydrophobicContact CD1-CG 4.3Å; L22-Q48 HydrophobicContact CD2-CB 3.92Å; L22-Q48 HydrophobicContact CD2-CG 4Å; L22-Q48 HydrophobicContact CG-CB 4.19Å; Y46-Q48 PolarHBondContact O-N 2.96Å; Y46-Q48 VanDerWaalsContact O-N 3.17Å; Q48-C51 HydrophobicContact CG-CB 4.27Å |
| 49 | P | 91.7 | Very high | 83.4 | Confident | 76 Ų | 76 | 94 Ų | 94 | 49% | 0.494 | 48% | 0.48 | S | S | . | . | S | Bend | trans | -68.1 | 153.7 | 168.3 | -9.4 | 26 | 0 | 0 | 0 | 109.9 | L47 C51 | L47-P49 WeakPolarHBondContact O-CD 3.49Å; P49-C51 VanDerWaalsContact C-N 3.33Å; P49-C51 PolarHBondContact O-N 3.09Å |
| 50 | E | 90.3 | Very high | 84.5 | Confident | 147 Ų | 147 | 94 Ų | 94 | 69% | 0.687 | 49% | 0.49 | S | S | * | . | S | Bend | trans | 50.5 | 52.7 | 177.6 | -60.9 | 178.5 | -179.8 | 0 | 0 | 112.9 | C17 M52 | C17-E50 VanDerWaalsContact CB-CA 3.46Å; C17-E50 HydrophobicContact CB-CB 4.02Å; C17-E50 HydrophobicContact CB-CG 4.4Å; E50-M52 WeakPolarHBondContact O-CG 3.25Å; E50-M52 PolarHBondContact O-N 3.3Å |
| 51 | C | 92.4 | Very high | 85.4 | Confident | 1 Ų | 1 | 96.4 Ų | 96.4 | 1% | 0.007 | 49% | 0.491 | C | S | . | . | trans | -69.1 | 139.7 | -168.9 | -159 | 0 | 0 | 0 | 0 | 112.4 | L18 Q48 P49 A64 C85 | L18-C51 WeakPolarHBondContact O-CB 3.48Å; L18-C51 PolarHBondContact O-N 2.64Å; Q48-C51 HydrophobicContact CG-CB 4.27Å; P49-C51 VanDerWaalsContact C-N 3.33Å; P49-C51 PolarHBondContact O-N 3.09Å; C51-A64 HydrophobicContact CB-CB 4.28Å; C51-A64 VanDerWaalsContact O-CB 3.3Å; C51-A64 WeakPolarHBondContact O-CB 3.41Å; C51-A64 PolarHBondContact O-N 2.03Å; C51-C85 HydrophobicContact CB-CB 3.8Å; C51-C85 WeakPolarHBondContact CB-SG 3.46Å; C51-C85 WeakPolarHBondContact SG-CB 3.03Å; C51-C85 CovalentContact SG-SG 1.97Å; C51-C85 PolarHBondContact SG-SG 2.9Å | ||
| 52 | M | 91.3 | Very high | 86.1 | Confident | 86 Ų | 86 | 95.7 Ų | 95.7 | 42% | 0.424 | 49% | 0.49 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 133.1 | -174.9 | -64.7 | -64.4 | -76.4 | 0 | 0 | 109.6 | E50 Y61 F62 P63 | E50-M52 WeakPolarHBondContact O-CG 3.25Å; E50-M52 PolarHBondContact O-N 3.3Å; M52-Y61 HydrophobicContact CB-CD1 4.46Å; M52-Y61 WeakPolarHBondContact CE-O 3.19Å; M52-F62 CarbonylContact C-O 3.56Å; M52-F62 WeakPolarHBondContact CA-O 3.16Å; M52-P63 HydrophobicContact SD-CG 4.27Å |
| 53 | A | 89.8 | Confident | 86.9 | Confident | 0 Ų | 0 | 91.1 Ų | 91.1 | 0% | 0 | 46% | 0.463 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 151 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112 | F62 A64 C85 M87 | A53-F62 PolarHBondContact N-O 2.83Å; A53-F62 PolarHBondContact O-N 3.24Å; A53-A64 HydrophobicContact CB-CB 4.06Å; A53-C85 HydrophobicContact CB-CB 4.37Å; A53-M87 HydrophobicContact CB-CB 4.22Å |
| 54 | P | 85.8 | Confident | 87.4 | Confident | 87 Ų | 87 | 87.3 Ų | 87.3 | 57% | 0.565 | 42% | 0.424 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 146.9 | 169.1 | 30.5 | -34.1 | 0 | 0 | 0 | 110 | ||
| 55 | R | 81.9 | Confident | 87.7 | Confident | 79 Ų | 79 | 88.4 Ų | 88.4 | 30% | 0.298 | 43% | 0.428 | S | S | . | . | trans | -110.1 | 135.6 | 172.4 | -174.9 | 179 | 175.1 | 165.4 | 5.5 | 109.2 | D57 R58 F62 M87 S89 | R55-D57 PolarHBondContact O-N 2.8Å; R55-R58 HydrophobicContact CB-CB 4.19Å; R55-R58 HydrophobicContact CB-CG 4.4Å; R55-R58 HydrophobicContact CG-CG 4.22Å; R55-R58 PolarHBondContact O-N 2.84Å; R55-R58 VanDerWaalsContact O-N 3.13Å; R55-F62 HydrophobicContact CB-CD2 3.59Å; R55-F62 HydrophobicContact CB-CE2 3.85Å; R55-F62 HydrophobicContact CB-CG 4.41Å; R55-M87 HydrophobicContact CB-SD 3.96Å; R55-M87 HydrophobicContact CG-SD 4.07Å; R55-S89 WeakPolarHBondContact CG-OG 3.48Å; R55-S89 PolarHBondContact NE-O 3.26Å; R55-S89 PolarHBondContact NH2-O 3.37Å | ||
| 56 | K | 77.6 | Confident | 88 | Confident | 96 Ų | 96 | 84.2 Ų | 84.2 | 42% | 0.417 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.6 | 136.9 | 178.7 | -169 | -178.4 | 174.8 | 177.3 | 0 | 110.3 | R58 S89 T96 | K56-R58 PolarHBondContact O-N 2.79Å; K56-R58 VanDerWaalsContact O-N 3.13Å; K56-S89 WeakPolarHBondContact CB-OG 3.46Å; K56-S89 PolarHBondContact N-OG 3.04Å; K56-T96 PolarHBondContact NZ-OG1 2.03Å |
| 57 | D | 79.3 | Confident | 88.2 | Confident | 146 Ų | 146 | 81.8 Ų | 81.8 | 78% | 0.781 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.4 | 19.6 | 179.4 | -52.6 | -41.8 | 0 | 0 | 0 | 115.2 | R55 | R55-D57 PolarHBondContact O-N 2.8Š|
| 58 | R | 81.3 | Confident | 88.3 | Confident | 169 Ų | 169 | 79.1 Ų | 79.1 | 64% | 0.638 | 38% | 0.381 | S | S | * | . | trans | -129.7 | 145.4 | 176.6 | -58.2 | -65.1 | 179.3 | 171.5 | 0.5 | 111 | R55 K56 F62 | R55-R58 HydrophobicContact CB-CB 4.19Å; R55-R58 HydrophobicContact CB-CG 4.4Å; R55-R58 HydrophobicContact CG-CG 4.22Å; R55-R58 PolarHBondContact O-N 2.84Å; R55-R58 VanDerWaalsContact O-N 3.13Å; K56-R58 PolarHBondContact O-N 2.79Å; K56-R58 VanDerWaalsContact O-N 3.13Å; R58-F62 HydrophobicContact CB-CE2 3.79Å; R58-F62 HydrophobicContact CB-CZ 4.02Å | ||
| 59 | R | 84.3 | Confident | 88.4 | Confident | 245 Ų | 245 | 75 Ų | 75 | 93% | 0.925 | 36% | 0.362 | S | S | * | . | S | Bend | trans | -88.1 | 141.9 | 173.2 | -69.3 | -170.6 | -71.2 | 173.7 | -3.2 | 110 | ||
| 60 | G | 87.3 | Confident | 88.4 | Confident | 49 Ų | 49 | 72 Ų | 72 | 51% | 0.505 | 34% | 0.342 | S | S | . | . | S | Bend | trans | 94.6 | -176.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 61 | Y | 89.1 | Confident | 88.6 | Confident | 166 Ų | 166 | 65.9 Ų | 65.9 | 65% | 0.651 | 32% | 0.315 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 147.4 | -179.4 | -66.8 | -95.1 | 0 | 0 | 0 | 110.2 | M52 | M52-Y61 HydrophobicContact CB-CD1 4.46Å; M52-Y61 WeakPolarHBondContact CE-O 3.19Å |
| 62 | F | 88.3 | Confident | 88.7 | Confident | 61 Ų | 61 | 66.2 Ų | 66.2 | 27% | 0.268 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 154.1 | -178.6 | -61.9 | -90.8 | 0 | 0 | 0 | 109.6 | M52 A53 R55 R58 A64 M87 | M52-F62 CarbonylContact C-O 3.56Å; M52-F62 WeakPolarHBondContact CA-O 3.16Å; A53-F62 PolarHBondContact N-O 2.83Å; A53-F62 PolarHBondContact O-N 3.24Å; R55-F62 HydrophobicContact CB-CD2 3.59Å; R55-F62 HydrophobicContact CB-CE2 3.85Å; R55-F62 HydrophobicContact CB-CG 4.41Å; R58-F62 HydrophobicContact CB-CE2 3.79Å; R58-F62 HydrophobicContact CB-CZ 4.02Å; F62-A64 PolarHBondContact O-N 3.19Å; F62-A64 VanDerWaalsContact O-N 3.14Å; F62-M87 HydrophobicContact CB-CE 4.07Å; F62-M87 HydrophobicContact CB-SD 3.26Å; F62-M87 WeakPolarHBondContact CB-SD 3.05Å; F62-M87 HydrophobicContact CD2-SD 4.32Å; F62-M87 HydrophobicContact CG-SD 3.82Å |
| 63 | P | 91 | Very high | 89 | Confident | 56 Ų | 56 | 65 Ų | 65 | 36% | 0.364 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -47 | 120.6 | 169.8 | -33 | 40.2 | 0 | 0 | 0 | 111.1 | C17 M52 | C17-P63 HydrophobicContact CB-CB 4.5Å; C17-P63 WeakPolarHBondContact SG-CB 3.42Å; M52-P63 HydrophobicContact SD-CG 4.27Å |
| 64 | A | 91 | Very high | 89.2 | Confident | 4 Ų | 4 | 65.5 Ų | 65.5 | 3% | 0.033 | 32% | 0.32 | C | S | . | . | trans | -71.1 | 142.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | L18 C51 A53 F62 C85 A86 | L18-A64 WeakPolarHBondContact CB-O 3.29Å; L18-A64 PolarHBondContact N-O 2.01Å; C51-A64 HydrophobicContact CB-CB 4.28Å; C51-A64 VanDerWaalsContact O-CB 3.3Å; C51-A64 WeakPolarHBondContact O-CB 3.41Å; C51-A64 PolarHBondContact O-N 2.03Å; A53-A64 HydrophobicContact CB-CB 4.06Å; F62-A64 PolarHBondContact O-N 3.19Å; F62-A64 VanDerWaalsContact O-N 3.14Å; A64-C85 HydrophobicContact CB-CB 3.56Å; A64-A86 WeakPolarHBondContact CB-O 3.3Å | ||
| 65 | D | 90.2 | Very high | 89.4 | Confident | 61 Ų | 61 | 66.4 Ų | 66.4 | 33% | 0.326 | 33% | 0.328 | S | S | . | . | trans | -112.2 | -9.8 | 175.7 | 58.1 | 4.7 | 0 | 0 | 0 | 112.4 | A86 M87 D88 | D65-A86 PolarHBondContact N-O 3.35Å; D65-M87 VanDerWaalsContact OD1-CA 3.25Å; D65-M87 WeakPolarHBondContact OD1-CA 3.35Å; D65-D88 PolarHBondContact OD1-N 2.98Å; D65-D88 WeakPolarHBondContact OD2-CB 3.31Å; D65-D88 PolarHBondContact OD2-N 2.86Å | ||
| 66 | H | 92.3 | Very high | 89.9 | Confident | 39 Ų | 39 | 67.8 Ų | 67.8 | 18% | 0.181 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 147.7 | 177.8 | -62 | 78.7 | 0 | 0 | 0 | 112.6 | C85 A86 V99 C121 | H66-C85 WeakPolarHBondContact O-CA 3.28Å; H66-A86 PolarHBondContact N-O 2.82Å; H66-A86 VanDerWaalsContact N-O 3.13Å; H66-A86 PolarHBondContact O-N 2.76Å; H66-V99 HydrophobicContact CB-CG1 3.79Å; H66-V99 WeakPolarHBondContact ND1-CG1 3.36Å; H66-C121 CarbonylContact C-O 3.56Å; H66-C121 VanDerWaalsContact CA-O 3.29Å; H66-C121 WeakPolarHBondContact CA-O 3.47Å |
| 67 | C | 93.6 | Very high | 90.6 | Very high | 0 Ų | 0 | 69.3 Ų | 69.3 | 0% | 0 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 142 | 164.1 | -50.9 | 0 | 0 | 0 | 0 | 110 | L18 C20 T120 C121 N127 | L18-C67 HydrophobicContact CD2-CB 4.49Å; L18-C67 WeakPolarHBondContact CD2-SG 3.49Å; C20-C67 VanDerWaalsContact CA-SG 3.56Å; C20-C67 HydrophobicContact CB-CB 3.75Å; C20-C67 WeakPolarHBondContact CB-SG 3.14Å; C20-C67 WeakPolarHBondContact SG-CA 3.09Å; C20-C67 WeakPolarHBondContact SG-CB 3.28Å; C20-C67 CovalentContact SG-SG 2.03Å; C20-C67 PolarHBondContact SG-SG 3.4Å; C67-T120 WeakPolarHBondContact O-CA 3.37Å; C67-C121 PolarHBondContact N-O 2.83Å; C67-C121 PolarHBondContact O-N 3.34Å; C67-C121 VanDerWaalsContact O-N 3.09Å; C67-N127 HydrophobicContact CB-CB 3.66Å |
| 68 | I | 93.1 | Very high | 91.2 | Very high | 4 Ų | 4 | 67.7 Ų | 67.7 | 2% | 0.021 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 141.6 | 176.5 | -57.1 | -169.2 | 0 | 0 | 0 | 109.4 | V70 R83 T84 A86 I98 V99 Q119 T120 N127 | I68-V70 HydrophobicContact CG2-CG2 3.88Å; I68-R83 WeakPolarHBondContact O-CA 3.18Å; I68-T84 HydrophobicContact CB-CG2 4.01Å; I68-T84 PolarHBondContact N-O 3.29Å; I68-T84 PolarHBondContact O-N 3.38Å; I68-A86 HydrophobicContact CD1-CB 3.28Å; I68-A86 HydrophobicContact CG1-CB 3.72Å; I68-I98 HydrophobicContact CD1-CB 4.34Å; I68-I98 HydrophobicContact CD1-CD1 4.34Å; I68-I98 HydrophobicContact CD1-CG1 4.11Å; I68-I98 HydrophobicContact CD1-CG2 3.5Å; I68-I98 VanDerWaalsContact CD1-CG2 3.5Å; I68-I98 HydrophobicContact CG2-CD1 4.38Å; I68-V99 HydrophobicContact CD1-CG2 4.39Å; I68-Q119 CarbonylContact C-O 3.5Å; I68-Q119 WeakPolarHBondContact CA-O 3.39Å; I68-T120 HydrophobicContact CD1-CG2 4.42Å; I68-T120 HydrophobicContact CG1-CG2 4.08Å; I68-N127 PolarHBondContact O-ND2 2.73Å |
| 69 | K | 93.9 | Very high | 91.8 | Very high | 4 Ų | 4 | 60.8 Ų | 60.8 | 2% | 0.017 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 123 | 162.9 | -179.7 | -173.2 | 168.7 | -156.4 | 0 | 109.6 | D35 V82 R83 Q119 N127 | D35-K69 WeakPolarHBondContact OD1-CE 2.94Å; D35-K69 IonicContact OD1-NZ 3.12Å; D35-K69 PolarHBondContact OD1-NZ 3.14Å; D35-K69 IonicContact OD2-NZ 2.73Å; D35-K69 PolarHBondContact OD2-NZ 2.92Å; K69-V82 CarbonylContact C-O 3.51Å; K69-V82 WeakPolarHBondContact CA-O 3.39Å; K69-R83 HydrophobicContact CB-CG 4.47Å; K69-R83 HydrophobicContact CG-CG 4.25Å; K69-Q119 HydrophobicContact CB-CB 4.46Å; K69-Q119 PolarHBondContact N-O 3.38Å; K69-Q119 PolarHBondContact O-N 2.91Å; K69-N127 HydrophobicContact CB-CB 4.15Å |
| 70 | V | 93.5 | Very high | 92.3 | Very high | 11 Ų | 11 | 49.3 Ų | 49.3 | 7% | 0.067 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 131.1 | 170.7 | -177.4 | 0 | 0 | 0 | 0 | 107.7 | I68 V81 V82 I98 F107 C117 V118 | I68-V70 HydrophobicContact CG2-CG2 3.88Å; V70-V81 CarbonylContact O-C 3.53Å; V70-V81 VanDerWaalsContact O-CA 3.3Å; V70-V81 WeakPolarHBondContact O-CA 3.32Å; V70-V82 HydrophobicContact CB-CB 4.33Å; V70-V82 PolarHBondContact N-O 3.13Å; V70-V82 PolarHBondContact O-N 2.74Å; V70-I98 HydrophobicContact CG2-CD1 4.38Å; V70-F107 HydrophobicContact CG1-CD2 4.3Å; V70-F107 HydrophobicContact CG1-CE1 4.32Å; V70-F107 HydrophobicContact CG1-CE2 3.44Å; V70-F107 VanDerWaalsContact CG1-CE2 3.44Å; V70-F107 HydrophobicContact CG1-CZ 3.45Å; V70-F107 VanDerWaalsContact CG1-CZ 3.45Å; V70-C117 WeakPolarHBondContact CA-O 2.92Å; V70-V118 HydrophobicContact CG1-CG2 4.37Å; V70-V118 HydrophobicContact CG2-CG1 4.4Å; V70-V118 HydrophobicContact CG2-CG2 4.35Å |
| 71 | S | 94.5 | Very high | 92.7 | Very high | 19 Ų | 19 | 47.3 Ų | 47.3 | 13% | 0.133 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 130.2 | 173.8 | 59.2 | 0 | 0 | 0 | 0 | 109.9 | V80 G116 C117 | S71-V80 CarbonylContact C-O 3.53Å; S71-V80 VanDerWaalsContact CA-O 3.24Å; S71-V80 WeakPolarHBondContact CA-O 3.39Å; S71-G116 CarbonylContact O-C 3.55Å; S71-G116 WeakPolarHBondContact O-CA 2.98Å; S71-C117 PolarHBondContact N-O 3.45Å; S71-C117 PolarHBondContact O-N 3.48Å |
| 72 | G | 94.7 | Very high | 92.9 | Very high | 9 Ų | 9 | 41 Ų | 41 | 9% | 0.093 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -166.5 | 173.6 | -180 | 0 | 0 | 0 | 0 | 0 | 114.5 | T79 V80 S115 | G72-T79 WeakPolarHBondContact O-CA 3.37Å; G72-V80 PolarHBondContact N-O 3.1Å; G72-V80 PolarHBondContact O-N 3.25Å; G72-S115 CarbonylContact C-O 3.47Å; G72-S115 VanDerWaalsContact CA-O 3.23Å; G72-S115 WeakPolarHBondContact CA-O 3.28Å |
| 73 | V | 95.9 | Very high | 93.2 | Very high | 60 Ų | 60 | 38.3 Ų | 38.3 | 36% | 0.364 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 131.3 | 178.2 | -169.9 | 0 | 0 | 0 | 0 | 109.4 | Y78 T79 F114 S115 | V73-Y78 CarbonylContact C-O 3.55Å; V73-Y78 VanDerWaalsContact CA-O 3.28Å; V73-Y78 WeakPolarHBondContact CA-O 3.39Å; V73-T79 HydrophobicContact CG2-CG2 4.26Å; V73-F114 WeakPolarHBondContact O-CA 3.36Å; V73-S115 PolarHBondContact N-O 3.33Å; V73-S115 PolarHBondContact O-N 2.95Å |
| 74 | S | 94.7 | Very high | 93.3 | Very high | 10 Ų | 10 | 38.4 Ų | 38.4 | 7% | 0.07 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 169.6 | 177.4 | 80.6 | 0 | 0 | 0 | 0 | 112.5 | D76 N77 Y78 Y113 | S74-D76 PolarHBondContact O-N 2.93Å; S74-D76 PolarHBondContact OG-N 3.5Å; S74-N77 PolarHBondContact O-N 3.25Å; S74-N77 VanDerWaalsContact O-N 3.11Å; S74-N77 PolarHBondContact OG-N 3.5Å; S74-Y78 PolarHBondContact N-O 3.43Å; S74-Y78 WeakPolarHBondContact OG-CB 3.47Å; S74-Y78 PolarHBondContact OG-N 3.39Å; S74-Y113 VanDerWaalsContact CA-O 3.27Å; S74-Y113 WeakPolarHBondContact CA-O 3.45Å; S74-Y113 WeakPolarHBondContact CB-O 3.31Å |
| 75 | S | 91 | Very high | 93.4 | Very high | 107 Ų | 107 | 38.5 Ų | 38.5 | 75% | 0.748 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -31.1 | 170.6 | 51 | 0 | 0 | 0 | 0 | 113 | N77 | S75-N77 PolarHBondContact O-N 2.67Š|
| 76 | D | 91.2 | Very high | 93.5 | Very high | 107 Ų | 107 | 36 Ų | 36 | 57% | 0.572 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.6 | 14.2 | 177.9 | -54.8 | -42.9 | 0 | 0 | 0 | 112.3 | S74 Y78 | S74-D76 PolarHBondContact O-N 2.93Å; S74-D76 PolarHBondContact OG-N 3.5Å; D76-Y78 HydrophobicContact CB-CD2 3.72Å; D76-Y78 HydrophobicContact CB-CE2 3.64Å; D76-Y78 PolarHBondContact O-N 3.25Å |
| 77 | N | 91.9 | Very high | 93.2 | Very high | 129 Ų | 129 | 35.9 Ų | 35.9 | 69% | 0.69 | 21% | 0.205 | S | C | * | . | trans | 61.8 | 27.1 | -179.6 | -159.9 | 54 | 0 | 0 | 0 | 113.9 | S74 S75 | S74-N77 PolarHBondContact O-N 3.25Å; S74-N77 VanDerWaalsContact O-N 3.11Å; S74-N77 PolarHBondContact OG-N 3.5Å; S75-N77 PolarHBondContact O-N 2.67Å | ||
| 78 | Y | 92.6 | Very high | 92.8 | Very high | 111 Ų | 111 | 37.5 Ų | 37.5 | 44% | 0.435 | 21% | 0.213 | S | C | . | . | trans | -82.5 | 133.6 | 171 | -61.8 | -52.3 | 0 | 0 | 0 | 110.8 | N27 V73 S74 D76 | N27-Y78 WeakPolarHBondContact ND2-CD1 3.39Å; N27-Y78 WeakPolarHBondContact ND2-CE1 3.3Å; N27-Y78 WeakPolarHBondContact OD1-CA 3.4Å; N27-Y78 VanDerWaalsContact OD1-CB 3.31Å; N27-Y78 WeakPolarHBondContact OD1-CB 3.35Å; N27-Y78 VanDerWaalsContact OD1-CD1 3.26Å; N27-Y78 WeakPolarHBondContact OD1-CD1 3.49Å; V73-Y78 CarbonylContact C-O 3.55Å; V73-Y78 VanDerWaalsContact CA-O 3.28Å; V73-Y78 WeakPolarHBondContact CA-O 3.39Å; S74-Y78 PolarHBondContact N-O 3.43Å; S74-Y78 WeakPolarHBondContact OG-CB 3.47Å; S74-Y78 PolarHBondContact OG-N 3.39Å; D76-Y78 HydrophobicContact CB-CD2 3.72Å; D76-Y78 HydrophobicContact CB-CE2 3.64Å; D76-Y78 PolarHBondContact O-N 3.25Å | ||
| 79 | T | 94.3 | Very high | 92 | Very high | 24 Ų | 24 | 38.2 Ų | 38.2 | 15% | 0.147 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 143.5 | 177.4 | 59.9 | 0 | 0 | 0 | 0 | 110.2 | V26 N27 H28 G72 V73 | V26-T79 CarbonylContact C-O 3.55Å; V26-T79 WeakPolarHBondContact CA-O 3.16Å; N27-T79 WeakPolarHBondContact CA-OG1 3.39Å; N27-T79 PolarHBondContact N-O 2.92Å; N27-T79 PolarHBondContact OD1-N 3.14Å; H28-T79 PolarHBondContact CE1-OG1 2.95Å; H28-T79 PolarHBondContact NE2-OG1 3.27Å; G72-T79 WeakPolarHBondContact O-CA 3.37Å; V73-T79 HydrophobicContact CG2-CG2 4.26Å |
| 80 | V | 94.9 | Very high | 90.9 | Very high | 5 Ų | 5 | 40.3 Ų | 40.3 | 3% | 0.03 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 136.3 | 173.2 | 69.7 | 0 | 0 | 0 | 0 | 110 | S25 V26 S71 G72 V82 F107 L109 F114 | S25-V80 CarbonylContact O-C 3.42Å; S25-V80 WeakPolarHBondContact O-CA 3.41Å; V26-V80 HydrophobicContact CG2-CG2 4.38Å; S71-V80 CarbonylContact C-O 3.53Å; S71-V80 VanDerWaalsContact CA-O 3.24Å; S71-V80 WeakPolarHBondContact CA-O 3.39Å; G72-V80 PolarHBondContact N-O 3.1Å; G72-V80 PolarHBondContact O-N 3.25Å; V80-V82 HydrophobicContact CG2-CG2 3.88Å; V80-F107 HydrophobicContact CG1-CZ 4.41Å; V80-L109 HydrophobicContact CG1-CD2 4.34Å; V80-L109 HydrophobicContact CG2-CD2 3.93Å; V80-F114 HydrophobicContact CB-CD1 4.41Å; V80-F114 HydrophobicContact CB-CE1 3.83Å; V80-F114 HydrophobicContact CB-CZ 4.13Å; V80-F114 HydrophobicContact CG1-CD1 3.56Å; V80-F114 HydrophobicContact CG1-CD2 4.46Å; V80-F114 HydrophobicContact CG1-CE1 3.46Å; V80-F114 VanDerWaalsContact CG1-CE1 3.46Å; V80-F114 HydrophobicContact CG1-CE2 4.36Å; V80-F114 HydrophobicContact CG1-CG 4.08Å; V80-F114 HydrophobicContact CG1-CZ 3.89Å |
| 81 | V | 94.6 | Very high | 89.6 | Confident | 7 Ų | 7 | 41.5 Ų | 41.5 | 4% | 0.042 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 118.7 | 165.9 | -176.3 | 0 | 0 | 0 | 0 | 108.3 | S24 S25 C33 E34 V70 | S24-V81 CarbonylContact C-O 3.47Å; S24-V81 WeakPolarHBondContact CA-O 3.14Å; S25-V81 PolarHBondContact N-O 3.46Å; S25-V81 PolarHBondContact O-N 2.8Å; C33-V81 VanDerWaalsContact O-CG1 3.28Å; C33-V81 WeakPolarHBondContact O-CG1 3.01Å; E34-V81 WeakPolarHBondContact OE2-CG2 3.22Å; V70-V81 CarbonylContact O-C 3.53Å; V70-V81 VanDerWaalsContact O-CA 3.3Å; V70-V81 WeakPolarHBondContact O-CA 3.32Å |
| 82 | V | 94.4 | Very high | 87.9 | Confident | 34 Ų | 34 | 49 Ų | 49 | 21% | 0.206 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 129.7 | 175.2 | -177.7 | 0 | 0 | 0 | 0 | 108.9 | C23 K69 V70 V80 L109 | C23-V82 WeakPolarHBondContact O-CA 3.49Å; K69-V82 CarbonylContact C-O 3.51Å; K69-V82 WeakPolarHBondContact CA-O 3.39Å; V70-V82 HydrophobicContact CB-CB 4.33Å; V70-V82 PolarHBondContact N-O 3.13Å; V70-V82 PolarHBondContact O-N 2.74Å; V80-V82 HydrophobicContact CG2-CG2 3.88Å; V82-L109 HydrophobicContact CG2-CD2 4.5Å |
| 83 | R | 93.9 | Very high | 86.2 | Confident | 4 Ų | 4 | 51.8 Ų | 51.8 | 2% | 0.015 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 130.6 | 167.1 | -65 | -169.5 | -177.7 | 75.9 | 6.5 | 108.6 | Y21 L22 C23 C33 D35 I68 K69 N127 | Y21-R83 CarbonylContact O-C 3.57Å; Y21-R83 WeakPolarHBondContact O-CB 3.37Å; L22-R83 WeakPolarHBondContact CA-O 3.34Å; C23-R83 PolarHBondContact N-O 3.08Å; C23-R83 PolarHBondContact O-N 2.97Å; C23-R83 PolarHBondContact SG-NH1 3.41Å; C33-R83 PolarHBondContact O-NH1 2.96Å; D35-R83 IonicContact OD1-NH2 3.34Å; D35-R83 PolarHBondContact OD1-NH2 3.24Å; I68-R83 WeakPolarHBondContact O-CA 3.18Å; K69-R83 HydrophobicContact CB-CG 4.47Å; K69-R83 HydrophobicContact CG-CG 4.25Å; R83-N127 WeakPolarHBondContact CD-O 3.35Å; R83-N127 PolarHBondContact NE-O 3.13Å |
| 84 | T | 93.7 | Very high | 84.5 | Confident | 58 Ų | 58 | 50.7 Ų | 50.7 | 36% | 0.356 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 172.5 | -178.2 | -168.4 | 0 | 0 | 0 | 0 | 110.6 | I68 | I68-T84 HydrophobicContact CB-CG2 4.01Å; I68-T84 PolarHBondContact N-O 3.29Å; I68-T84 PolarHBondContact O-N 3.38Å |
| 85 | C | 93.1 | Very high | 82.5 | Confident | 5 Ų | 5 | 56.7 Ų | 56.7 | 3% | 0.034 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 153.4 | 168.3 | -51.4 | 0 | 0 | 0 | 0 | 109.8 | C20 L22 C51 A53 A64 H66 | C20-C85 WeakPolarHBondContact CB-SG 3.28Å; L22-C85 WeakPolarHBondContact CD1-SG 3.34Å; C51-C85 HydrophobicContact CB-CB 3.8Å; C51-C85 WeakPolarHBondContact CB-SG 3.46Å; C51-C85 WeakPolarHBondContact SG-CB 3.03Å; C51-C85 CovalentContact SG-SG 1.97Å; C51-C85 PolarHBondContact SG-SG 2.9Å; A53-C85 HydrophobicContact CB-CB 4.37Å; A64-C85 HydrophobicContact CB-CB 3.56Å; H66-C85 WeakPolarHBondContact O-CA 3.28Å |
| 86 | A | 90.9 | Very high | 80.8 | Confident | 10 Ų | 10 | 54.7 Ų | 54.7 | 8% | 0.083 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 158.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | A64 D65 H66 I68 V99 | A64-A86 WeakPolarHBondContact CB-O 3.3Å; D65-A86 PolarHBondContact N-O 3.35Å; H66-A86 PolarHBondContact N-O 2.82Å; H66-A86 VanDerWaalsContact N-O 3.13Å; H66-A86 PolarHBondContact O-N 2.76Å; I68-A86 HydrophobicContact CD1-CB 3.28Å; I68-A86 HydrophobicContact CG1-CB 3.72Å; A86-V99 HydrophobicContact CB-CG2 3.43Å; A86-V99 VanDerWaalsContact CB-CG2 3.43Å |
| 87 | M | 87.6 | Confident | 79.6 | Confident | 36 Ų | 36 | 50.1 Ų | 50.1 | 18% | 0.177 | 29% | 0.29 | C | S | . | . | trans | -119.2 | 129.3 | 174.7 | -169.2 | -168.7 | -172.3 | 0 | 0 | 108.9 | A53 R55 F62 D65 S89 | A53-M87 HydrophobicContact CB-CB 4.22Å; R55-M87 HydrophobicContact CB-SD 3.96Å; R55-M87 HydrophobicContact CG-SD 4.07Å; F62-M87 HydrophobicContact CB-CE 4.07Å; F62-M87 HydrophobicContact CB-SD 3.26Å; F62-M87 WeakPolarHBondContact CB-SD 3.05Å; F62-M87 HydrophobicContact CD2-SD 4.32Å; F62-M87 HydrophobicContact CG-SD 3.82Å; D65-M87 VanDerWaalsContact OD1-CA 3.25Å; D65-M87 WeakPolarHBondContact OD1-CA 3.35Å; M87-S89 PolarHBondContact O-N 3.39Å | ||
| 88 | D | 85 | Confident | 78.8 | Confident | 33 Ų | 33 | 48.1 Ų | 48.1 | 18% | 0.176 | 28% | 0.279 | C | S | . | . | trans | -61.7 | 119.4 | 167.2 | -171.6 | -37.6 | 0 | 0 | 0 | 108.9 | D65 G90 V99 R100 | D65-D88 PolarHBondContact OD1-N 2.98Å; D65-D88 WeakPolarHBondContact OD2-CB 3.31Å; D65-D88 PolarHBondContact OD2-N 2.86Å; D88-G90 PolarHBondContact O-N 2.8Å; D88-G90 WeakPolarHBondContact OD1-CA 3.44Å; D88-G90 PolarHBondContact OD1-N 2.82Å; D88-V99 HydrophobicContact CB-CG1 4.12Å; D88-R100 VanDerWaalsContact CG-NH2 3.33Å; D88-R100 IonicContact OD1-CZ 3.83Å; D88-R100 IonicContact OD1-NE 3.93Å; D88-R100 PolarHBondContact OD1-NE 2.78Å; D88-R100 IonicContact OD1-NH2 3.76Å; D88-R100 PolarHBondContact OD1-NH2 3.21Å; D88-R100 IonicContact OD2-CZ 3.35Å; D88-R100 IonicContact OD2-NE 2.72Å; D88-R100 PolarHBondContact OD2-NE 3.23Å; D88-R100 IonicContact OD2-NH2 2.98Å; D88-R100 PolarHBondContact OD2-NH2 3.23Å; D88-R100 VanDerWaalsContact OD2-NH2 3.12Å | ||
| 89 | S | 75.7 | Confident | 77.9 | Confident | 20 Ų | 20 | 43.1 Ų | 43.1 | 14% | 0.14 | 26% | 0.26 | C | S | . | . | trans | -80.6 | -5.1 | -177.5 | -55.4 | 0 | 0 | 0 | 0 | 112.4 | R55 K56 M87 S91 E97 | R55-S89 WeakPolarHBondContact CG-OG 3.48Å; R55-S89 PolarHBondContact NE-O 3.26Å; R55-S89 PolarHBondContact NH2-O 3.37Å; K56-S89 WeakPolarHBondContact CB-OG 3.46Å; K56-S89 PolarHBondContact N-OG 3.04Å; M87-S89 PolarHBondContact O-N 3.39Å; S89-S91 VanDerWaalsContact C-N 3.29Å; S89-E97 WeakPolarHBondContact CA-OE1 3.37Å; S89-E97 WeakPolarHBondContact CB-OE1 3.3Å; S89-E97 VanDerWaalsContact N-CD 3.34Å; S89-E97 PolarHBondContact N-OE1 3.05Å; S89-E97 PolarHBondContact N-OE2 3.05Å | ||
| 90 | G | 70.4 | Confident | 77 | Confident | 48 Ų | 48 | 46.5 Ų | 46.5 | 50% | 0.495 | 27% | 0.27 | S | S | . | . | trans | 77.1 | 13.9 | 178 | 0 | 0 | 0 | 0 | 0 | 112.9 | D88 E97 | D88-G90 PolarHBondContact O-N 2.8Å; D88-G90 WeakPolarHBondContact OD1-CA 3.44Å; D88-G90 PolarHBondContact OD1-N 2.82Å; G90-E97 PolarHBondContact N-OE1 2.73Å | ||
| 91 | S | 66.7 | Low | 76.1 | Confident | 35 Ų | 35 | 49.8 Ų | 49.8 | 25% | 0.245 | 29% | 0.285 | C | S | . | . | trans | -60.2 | 148.8 | 178.1 | -174.5 | 0 | 0 | 0 | 0 | 110.6 | S89 T93 E97 R100 | S89-S91 VanDerWaalsContact C-N 3.29Å; S91-T93 PolarHBondContact O-N 2.72Å; S91-T93 PolarHBondContact OG-N 3.12Å; S91-T93 PolarHBondContact OG-OG1 3.35Å; S91-E97 WeakPolarHBondContact CA-OE1 3.34Å; S91-E97 WeakPolarHBondContact CB-OE1 2.8Å; S91-E97 PolarHBondContact N-OE1 2.84Å; S91-R100 PolarHBondContact O-NH1 2.89Å; S91-R100 PolarHBondContact O-NH2 3.12Å | ||
| 92 | L | 59 | Low | 75.8 | Confident | 177 Ų | 177 | 52.7 Ų | 52.7 | 93% | 0.927 | 31% | 0.306 | S | S | * | . | S | Bend | trans | -72 | -15.2 | 172.9 | -65.2 | 174.7 | 0 | 0 | 0 | 112.2 | ||
| 93 | T | 59.4 | Low | 75.7 | Confident | 67 Ų | 67 | 54.5 Ų | 54.5 | 41% | 0.411 | 31% | 0.313 | S | S | . | . | trans | -101.6 | 97.1 | -179.9 | 50.6 | 0 | 0 | 0 | 0 | 110.3 | S91 D95 T96 | S91-T93 PolarHBondContact O-N 2.72Å; S91-T93 PolarHBondContact OG-N 3.12Å; S91-T93 PolarHBondContact OG-OG1 3.35Å; T93-D95 PolarHBondContact O-N 3.45Å; T93-D95 VanDerWaalsContact O-N 3.17Å; T93-T96 PolarHBondContact O-N 2.59Å; T93-T96 PolarHBondContact O-OG1 3.48Å; T93-T96 VanDerWaalsContact OG1-CG2 3.29Å; T93-T96 WeakPolarHBondContact OG1-CG2 3.38Å; T93-T96 PolarHBondContact OG1-OG1 3.4Å | ||
| 94 | A | 59.3 | Low | 75.6 | Confident | 37 Ų | 37 | 58.5 Ų | 58.5 | 31% | 0.306 | 34% | 0.34 | S | S | . | . | G | 310 helix | trans | -55.1 | -31.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | T96 E97 R100 | A94-T96 PolarHBondContact O-N 2.98Å; A94-T96 VanDerWaalsContact O-N 3.13Å; A94-E97 PolarHBondContact O-N 2.83Å; A94-R100 HydrophobicContact CB-CB 4.17Å |
| 95 | D | 52.5 | Low | 75.6 | Confident | 137 Ų | 137 | 57 Ų | 57 | 73% | 0.733 | 34% | 0.337 | S | S | * | . | G | 310 helix | trans | -67.3 | -12.8 | -180 | -51.6 | -29.3 | 0 | 0 | 0 | 113.8 | T93 M101 | T93-D95 PolarHBondContact O-N 3.45Å; T93-D95 VanDerWaalsContact O-N 3.17Å; D95-M101 WeakPolarHBondContact OD1-CE 3.38Å |
| 96 | T | 56.6 | Low | 75.6 | Confident | 65 Ų | 65 | 64 Ų | 64 | 40% | 0.399 | 37% | 0.368 | S | S | . | . | G | 310 helix | trans | -101.3 | -2.1 | -179.3 | 70 | 0 | 0 | 0 | 0 | 113.7 | K56 T93 A94 | K56-T96 PolarHBondContact NZ-OG1 2.03Å; T93-T96 PolarHBondContact O-N 2.59Å; T93-T96 PolarHBondContact O-OG1 3.48Å; T93-T96 VanDerWaalsContact OG1-CG2 3.29Å; T93-T96 WeakPolarHBondContact OG1-CG2 3.38Å; T93-T96 PolarHBondContact OG1-OG1 3.4Å; A94-T96 PolarHBondContact O-N 2.98Å; A94-T96 VanDerWaalsContact O-N 3.13Å |
| 97 | E | 66.1 | Low | 75.6 | Confident | 10 Ų | 10 | 64.5 Ų | 64.5 | 5% | 0.047 | 37% | 0.369 | C | S | . | . | trans | -126.1 | 109.6 | -177.6 | -64.8 | -170.9 | -164.6 | 0 | 0 | 110.1 | S89 G90 S91 A94 V99 R100 | S89-E97 WeakPolarHBondContact CA-OE1 3.37Å; S89-E97 WeakPolarHBondContact CB-OE1 3.3Å; S89-E97 VanDerWaalsContact N-CD 3.34Å; S89-E97 PolarHBondContact N-OE1 3.05Å; S89-E97 PolarHBondContact N-OE2 3.05Å; G90-E97 PolarHBondContact N-OE1 2.73Å; S91-E97 WeakPolarHBondContact CA-OE1 3.34Å; S91-E97 WeakPolarHBondContact CB-OE1 2.8Å; S91-E97 PolarHBondContact N-OE1 2.84Å; A94-E97 PolarHBondContact O-N 2.83Å; E97-V99 PolarHBondContact O-N 3.09Å; E97-R100 PolarHBondContact O-N 2.8Å | ||
| 98 | I | 73.7 | Confident | 75.7 | Confident | 87 Ų | 87 | 67.6 Ų | 67.6 | 45% | 0.446 | 39% | 0.385 | S | S | . | . | G | 310 helix | trans | -51.6 | -28 | 179 | -170.1 | 170.2 | 0 | 0 | 0 | 112.7 | I68 V70 R100 M101 V118 T120 | I68-I98 HydrophobicContact CD1-CB 4.34Å; I68-I98 HydrophobicContact CD1-CD1 4.34Å; I68-I98 HydrophobicContact CD1-CG1 4.11Å; I68-I98 HydrophobicContact CD1-CG2 3.5Å; I68-I98 VanDerWaalsContact CD1-CG2 3.5Å; I68-I98 HydrophobicContact CG2-CD1 4.38Å; V70-I98 HydrophobicContact CG2-CD1 4.38Å; I98-R100 VanDerWaalsContact C-N 3.27Å; I98-R100 PolarHBondContact O-N 2.94Å; I98-M101 PolarHBondContact O-N 3.36Å; I98-V118 HydrophobicContact CD1-CG1 3.92Å; I98-V118 HydrophobicContact CG1-CG1 3.66Å; I98-T120 VanDerWaalsContact O-CG2 3.3Å; I98-T120 WeakPolarHBondContact O-CG2 3.24Å |
| 99 | V | 74.4 | Confident | 75.8 | Confident | 6 Ų | 6 | 68.4 Ų | 68.4 | 4% | 0.036 | 39% | 0.389 | C | S | . | . | G | 310 helix | trans | -57.2 | -36.8 | 177.5 | -179.7 | 0 | 0 | 0 | 0 | 112.8 | H66 I68 A86 D88 E97 T120 | H66-V99 HydrophobicContact CB-CG1 3.79Å; H66-V99 WeakPolarHBondContact ND1-CG1 3.36Å; I68-V99 HydrophobicContact CD1-CG2 4.39Å; A86-V99 HydrophobicContact CB-CG2 3.43Å; A86-V99 VanDerWaalsContact CB-CG2 3.43Å; D88-V99 HydrophobicContact CB-CG1 4.12Å; E97-V99 PolarHBondContact O-N 3.09Å; V99-T120 WeakPolarHBondContact O-CB 3.39Å; V99-T120 WeakPolarHBondContact O-CG2 3.21Å; V99-T120 PolarHBondContact O-OG1 3.38Å |
| 100 | R | 74.9 | Confident | 76.3 | Confident | 96 Ų | 96 | 73.9 Ų | 73.9 | 36% | 0.362 | 42% | 0.416 | S | S | . | . | G | 310 helix | trans | -93.5 | 0.1 | -172.2 | -65 | -175.4 | 177.6 | 176.3 | 10.9 | 114.2 | D88 S91 A94 E97 I98 | D88-R100 VanDerWaalsContact CG-NH2 3.33Å; D88-R100 IonicContact OD1-CZ 3.83Å; D88-R100 IonicContact OD1-NE 3.93Å; D88-R100 PolarHBondContact OD1-NE 2.78Å; D88-R100 IonicContact OD1-NH2 3.76Å; D88-R100 PolarHBondContact OD1-NH2 3.21Å; D88-R100 IonicContact OD2-CZ 3.35Å; D88-R100 IonicContact OD2-NE 2.72Å; D88-R100 PolarHBondContact OD2-NE 3.23Å; D88-R100 IonicContact OD2-NH2 2.98Å; D88-R100 PolarHBondContact OD2-NH2 3.23Å; D88-R100 VanDerWaalsContact OD2-NH2 3.12Å; S91-R100 PolarHBondContact O-NH1 2.89Å; S91-R100 PolarHBondContact O-NH2 3.12Å; A94-R100 HydrophobicContact CB-CB 4.17Å; E97-R100 PolarHBondContact O-N 2.8Å; I98-R100 VanDerWaalsContact C-N 3.27Å; I98-R100 PolarHBondContact O-N 2.94Å |
| 101 | M | 76.5 | Confident | 77.1 | Confident | 73 Ų | 73 | 78.8 Ų | 78.8 | 36% | 0.36 | 43% | 0.432 | S | S | . | . | trans | -128.4 | 82.8 | -171.9 | -162.6 | 70.8 | 72.5 | 0 | 0 | 112.2 | D95 I98 H103 | D95-M101 WeakPolarHBondContact OD1-CE 3.38Å; I98-M101 PolarHBondContact O-N 3.36Å; M101-H103 PolarHBondContact O-N 2.81Å; M101-H103 PolarHBondContact O-ND1 2.7Å | ||
| 102 | S | 88.1 | Confident | 78.2 | Confident | 69 Ų | 69 | 81.6 Ų | 81.6 | 48% | 0.483 | 44% | 0.44 | S | S | . | . | trans | -77.2 | 111.1 | 165.3 | -82.1 | 0 | 0 | 0 | 0 | 110.2 | V118 T120 | S102-V118 CarbonylContact C-O 3.53Å; S102-V118 VanDerWaalsContact CA-O 3.32Å; S102-V118 WeakPolarHBondContact CA-O 3.37Å; S102-T120 PolarHBondContact OG-N 3.27Å; S102-T120 PolarHBondContact OG-O 3.03Å; S102-T120 PolarHBondContact OG-OG1 3.49Å | ||
| 103 | H | 91.5 | Very high | 79.8 | Confident | 72 Ų | 72 | 80.7 Ų | 80.7 | 33% | 0.333 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 158.6 | -179.9 | 72.3 | -71.3 | 0 | 0 | 0 | 112.2 | M101 C117 V118 | M101-H103 PolarHBondContact O-N 2.81Å; M101-H103 PolarHBondContact O-ND1 2.7Å; H103-C117 WeakPolarHBondContact O-CA 3.16Å; H103-V118 PolarHBondContact N-O 2.91Å; H103-V118 PolarHBondContact O-N 3.49Å; H103-V118 VanDerWaalsContact O-O 3.09Å |
| 104 | C | 93.5 | Very high | 81.5 | Confident | 87 Ų | 87 | 78.5 Ų | 78.5 | 59% | 0.588 | 41% | 0.411 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 141.4 | 168.3 | -61.7 | 0 | 0 | 0 | 0 | 109.1 | G116 C117 | C104-G116 CarbonylContact C-O 3.58Å; C104-G116 WeakPolarHBondContact CA-O 3.37Å; C104-C117 HydrophobicContact CB-CB 4.11Å; C104-C117 WeakPolarHBondContact CB-SG 3.42Å; C104-C117 WeakPolarHBondContact SG-CB 3.34Å; C104-C117 CovalentContact SG-SG 2.05Å; C104-C117 PolarHBondContact SG-SG 3.02Å |
| 105 | G | 93.3 | Very high | 83.2 | Confident | 28 Ų | 28 | 79.8 Ų | 79.8 | 29% | 0.289 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 150.4 | -145.1 | -173.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | G116 | G105-G116 PolarHBondContact N-O 2.78Å; G105-G116 PolarHBondContact O-N 2.86Å; G105-G116 VanDerWaalsContact O-O 3.13Å |
| 106 | H | 92.1 | Very high | 85.2 | Confident | 150 Ų | 150 | 74.1 Ų | 74.1 | 69% | 0.694 | 39% | 0.392 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 136.5 | 179.8 | -58.9 | -65.8 | 0 | 0 | 0 | 111.1 | F114 | H106-F114 VanDerWaalsContact CA-O 3.28Å; H106-F114 WeakPolarHBondContact CA-O 3.44Å |
| 107 | F | 91 | Very high | 87 | Confident | 22 Ų | 22 | 72.5 Ų | 72.5 | 10% | 0.096 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 159.3 | 172.9 | 64.7 | -89.2 | 0 | 0 | 0 | 110.6 | V70 V80 L109 F114 V118 | V70-F107 HydrophobicContact CG1-CD2 4.3Å; V70-F107 HydrophobicContact CG1-CE1 4.32Å; V70-F107 HydrophobicContact CG1-CE2 3.44Å; V70-F107 VanDerWaalsContact CG1-CE2 3.44Å; V70-F107 HydrophobicContact CG1-CZ 3.45Å; V70-F107 VanDerWaalsContact CG1-CZ 3.45Å; V80-F107 HydrophobicContact CG1-CZ 4.41Å; F107-L109 HydrophobicContact CD2-CB 4.21Å; F107-L109 HydrophobicContact CE2-CB 4.06Å; F107-F114 HydrophobicContact CD1-CB 4.21Å; F107-F114 HydrophobicContact CD2-CB 4.08Å; F107-F114 HydrophobicContact CD2-CD2 4.48Å; F107-F114 HydrophobicContact CE1-CB 3.74Å; F107-F114 HydrophobicContact CE2-CB 3.59Å; F107-F114 AromaticContact CE2-CD2 3.95Å; F107-F114 HydrophobicContact CE2-CD2 3.95Å; F107-F114 AromaticContact CE2-CG 3.94Å; F107-F114 HydrophobicContact CE2-CG 3.94Å; F107-F114 HydrophobicContact CG-CB 4.38Å; F107-F114 HydrophobicContact CZ-CB 3.4Å; F107-F114 HydrophobicContact CZ-CD2 4.48Å; F107-F114 HydrophobicContact CZ-CG 4.01Å; F107-F114 PolarHBondContact N-O 3.4Å; F107-F114 PolarHBondContact O-N 2.9Å; F107-V118 HydrophobicContact CB-CG2 4.5Å; F107-V118 HydrophobicContact CD1-CG2 4.21Å; F107-V118 HydrophobicContact CG-CG2 4.21Å |
| 108 | I | 89.5 | Confident | 88.3 | Confident | 101 Ų | 101 | 72.3 Ų | 72.3 | 52% | 0.518 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 130.5 | 174.7 | -58.9 | 173.1 | 0 | 0 | 0 | 107.7 | H112 Y113 | I108-H112 WeakPolarHBondContact CA-O 3.33Å; I108-Y113 HydrophobicContact CD1-CD1 4.25Å; I108-Y113 HydrophobicContact CD1-CE1 3.59Å; I108-Y113 HydrophobicContact CG1-CD1 3.8Å; I108-Y113 HydrophobicContact CG1-CE1 3.68Å; I108-Y113 HydrophobicContact CG1-CG 4.41Å |
| 109 | L | 87.4 | Confident | 89.2 | Confident | 50 Ų | 50 | 71 Ų | 71 | 26% | 0.262 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 125.9 | 173.5 | 177.8 | 67 | 0 | 0 | 0 | 107.9 | V80 V82 F107 D111 H112 F114 | V80-L109 HydrophobicContact CG1-CD2 4.34Å; V80-L109 HydrophobicContact CG2-CD2 3.93Å; V82-L109 HydrophobicContact CG2-CD2 4.5Å; F107-L109 HydrophobicContact CD2-CB 4.21Å; F107-L109 HydrophobicContact CE2-CB 4.06Å; L109-D111 VanDerWaalsContact C-N 3.32Å; L109-D111 PolarHBondContact O-N 3.32Å; L109-H112 PolarHBondContact N-O 3.45Å; L109-H112 PolarHBondContact O-N 3.02Å; L109-F114 HydrophobicContact CB-CD2 3.99Å; L109-F114 HydrophobicContact CB-CE2 3.92Å |
| 110 | D | 86.8 | Confident | 90 | Very high | 134 Ų | 134 | 72.2 Ų | 72.2 | 72% | 0.717 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 45.8 | 51.3 | -178.8 | -60.2 | -24.1 | 0 | 0 | 0 | 113.3 | H112 | D110-H112 PolarHBondContact O-CE1 2.96Å; D110-H112 PolarHBondContact O-N 3.21Å; D110-H112 VanDerWaalsContact O-N 3.14Å; D110-H112 PolarHBondContact O-ND1 3.42Å |
| 111 | D | 86.9 | Confident | 90.8 | Very high | 152 Ų | 152 | 69.2 Ų | 69.2 | 81% | 0.813 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.1 | 10.2 | -178.8 | -56.7 | -46.2 | 0 | 0 | 0 | 116.3 | L109 | L109-D111 VanDerWaalsContact C-N 3.32Å; L109-D111 PolarHBondContact O-N 3.32Å |
| 112 | H | 89.1 | Confident | 91.5 | Very high | 93 Ų | 93 | 71 Ų | 71 | 43% | 0.431 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 140.3 | 175.8 | -62.5 | 79 | 0 | 0 | 0 | 111.6 | I108 L109 D110 F114 | I108-H112 WeakPolarHBondContact CA-O 3.33Å; L109-H112 PolarHBondContact N-O 3.45Å; L109-H112 PolarHBondContact O-N 3.02Å; D110-H112 PolarHBondContact O-CE1 2.96Å; D110-H112 PolarHBondContact O-N 3.21Å; D110-H112 VanDerWaalsContact O-N 3.14Å; D110-H112 PolarHBondContact O-ND1 3.42Å; H112-F114 HydrophobicContact CB-CD2 4.29Å; H112-F114 HydrophobicContact CB-CE2 3.56Å; H112-F114 HydrophobicContact CB-CZ 4.06Å; H112-F114 WeakPolarHBondContact O-CD2 3.49Å |
| 113 | Y | 93.2 | Very high | 91.7 | Very high | 159 Ų | 159 | 71.7 Ų | 71.7 | 62% | 0.624 | 39% | 0.387 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 128.4 | 174.9 | -72.9 | -91.3 | 0 | 0 | 0 | 110.6 | S74 I108 | S74-Y113 VanDerWaalsContact CA-O 3.27Å; S74-Y113 WeakPolarHBondContact CA-O 3.45Å; S74-Y113 WeakPolarHBondContact CB-O 3.31Å; I108-Y113 HydrophobicContact CD1-CD1 4.25Å; I108-Y113 HydrophobicContact CD1-CE1 3.59Å; I108-Y113 HydrophobicContact CG1-CD1 3.8Å; I108-Y113 HydrophobicContact CG1-CE1 3.68Å; I108-Y113 HydrophobicContact CG1-CG 4.41Å |
| 114 | F | 95.1 | Very high | 91.7 | Very high | 20 Ų | 20 | 73.5 Ų | 73.5 | 9% | 0.088 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 148.5 | 176.1 | -67.8 | -88.9 | 0 | 0 | 0 | 111.2 | V73 V80 H106 F107 L109 H112 | V73-F114 WeakPolarHBondContact O-CA 3.36Å; V80-F114 HydrophobicContact CB-CD1 4.41Å; V80-F114 HydrophobicContact CB-CE1 3.83Å; V80-F114 HydrophobicContact CB-CZ 4.13Å; V80-F114 HydrophobicContact CG1-CD1 3.56Å; V80-F114 HydrophobicContact CG1-CD2 4.46Å; V80-F114 HydrophobicContact CG1-CE1 3.46Å; V80-F114 VanDerWaalsContact CG1-CE1 3.46Å; V80-F114 HydrophobicContact CG1-CE2 4.36Å; V80-F114 HydrophobicContact CG1-CG 4.08Å; V80-F114 HydrophobicContact CG1-CZ 3.89Å; H106-F114 VanDerWaalsContact CA-O 3.28Å; H106-F114 WeakPolarHBondContact CA-O 3.44Å; F107-F114 HydrophobicContact CD1-CB 4.21Å; F107-F114 HydrophobicContact CD2-CB 4.08Å; F107-F114 HydrophobicContact CD2-CD2 4.48Å; F107-F114 HydrophobicContact CE1-CB 3.74Å; F107-F114 HydrophobicContact CE2-CB 3.59Å; F107-F114 AromaticContact CE2-CD2 3.95Å; F107-F114 HydrophobicContact CE2-CD2 3.95Å; F107-F114 AromaticContact CE2-CG 3.94Å; F107-F114 HydrophobicContact CE2-CG 3.94Å; F107-F114 HydrophobicContact CG-CB 4.38Å; F107-F114 HydrophobicContact CZ-CB 3.4Å; F107-F114 HydrophobicContact CZ-CD2 4.48Å; F107-F114 HydrophobicContact CZ-CG 4.01Å; F107-F114 PolarHBondContact N-O 3.4Å; F107-F114 PolarHBondContact O-N 2.9Å; L109-F114 HydrophobicContact CB-CD2 3.99Å; L109-F114 HydrophobicContact CB-CE2 3.92Å; H112-F114 HydrophobicContact CB-CD2 4.29Å; H112-F114 HydrophobicContact CB-CE2 3.56Å; H112-F114 HydrophobicContact CB-CZ 4.06Å; H112-F114 WeakPolarHBondContact O-CD2 3.49Å |
| 115 | S | 95.9 | Very high | 91.5 | Very high | 64 Ų | 64 | 70.1 Ų | 70.1 | 45% | 0.448 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 120.8 | 164.9 | -174.4 | 0 | 0 | 0 | 0 | 108.7 | G72 V73 | G72-S115 CarbonylContact C-O 3.47Å; G72-S115 VanDerWaalsContact CA-O 3.23Å; G72-S115 WeakPolarHBondContact CA-O 3.28Å; V73-S115 PolarHBondContact N-O 3.33Å; V73-S115 PolarHBondContact O-N 2.95Å |
| 116 | G | 94.2 | Very high | 91.5 | Very high | 19 Ų | 19 | 70.6 Ų | 70.6 | 20% | 0.196 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 175.1 | -147.5 | -174 | 0 | 0 | 0 | 0 | 0 | 114.2 | S71 C104 G105 | S71-G116 CarbonylContact O-C 3.55Å; S71-G116 WeakPolarHBondContact O-CA 2.98Å; C104-G116 CarbonylContact C-O 3.58Å; C104-G116 WeakPolarHBondContact CA-O 3.37Å; G105-G116 PolarHBondContact N-O 2.78Å; G105-G116 PolarHBondContact O-N 2.86Å; G105-G116 VanDerWaalsContact O-O 3.13Å |
| 117 | C | 93.8 | Very high | 91.5 | Very high | 30 Ų | 30 | 63.7 Ų | 63.7 | 20% | 0.203 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 141.2 | -178.5 | -62.8 | 0 | 0 | 0 | 0 | 111.5 | V70 S71 H103 C104 Q119 | V70-C117 WeakPolarHBondContact CA-O 2.92Å; S71-C117 PolarHBondContact N-O 3.45Å; S71-C117 PolarHBondContact O-N 3.48Å; H103-C117 WeakPolarHBondContact O-CA 3.16Å; C104-C117 HydrophobicContact CB-CB 4.11Å; C104-C117 WeakPolarHBondContact CB-SG 3.42Å; C104-C117 WeakPolarHBondContact SG-CB 3.34Å; C104-C117 CovalentContact SG-SG 2.05Å; C104-C117 PolarHBondContact SG-SG 3.02Å; C117-Q119 HydrophobicContact CB-CG 4.1Å |
| 118 | V | 92.9 | Very high | 91.2 | Very high | 6 Ų | 6 | 64.4 Ų | 64.4 | 4% | 0.036 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 119.6 | 164.9 | 179.3 | 0 | 0 | 0 | 0 | 106.7 | V70 I98 S102 H103 F107 | V70-V118 HydrophobicContact CG1-CG2 4.37Å; V70-V118 HydrophobicContact CG2-CG1 4.4Å; V70-V118 HydrophobicContact CG2-CG2 4.35Å; I98-V118 HydrophobicContact CD1-CG1 3.92Å; I98-V118 HydrophobicContact CG1-CG1 3.66Å; S102-V118 CarbonylContact C-O 3.53Å; S102-V118 VanDerWaalsContact CA-O 3.32Å; S102-V118 WeakPolarHBondContact CA-O 3.37Å; H103-V118 PolarHBondContact N-O 2.91Å; H103-V118 PolarHBondContact O-N 3.49Å; H103-V118 VanDerWaalsContact O-O 3.09Å; F107-V118 HydrophobicContact CB-CG2 4.5Å; F107-V118 HydrophobicContact CD1-CG2 4.21Å; F107-V118 HydrophobicContact CG-CG2 4.21Å |
| 119 | Q | 92.2 | Very high | 90.6 | Very high | 61 Ų | 61 | 60.1 Ų | 60.1 | 29% | 0.285 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 132.7 | -174.1 | -50.3 | -174.2 | -78.6 | 0 | 0 | 109.4 | I68 K69 C117 | I68-Q119 CarbonylContact C-O 3.5Å; I68-Q119 WeakPolarHBondContact CA-O 3.39Å; K69-Q119 HydrophobicContact CB-CB 4.46Å; K69-Q119 PolarHBondContact N-O 3.38Å; K69-Q119 PolarHBondContact O-N 2.91Å; C117-Q119 HydrophobicContact CB-CG 4.1Å |
| 120 | T | 92.1 | Very high | 89.7 | Confident | 30 Ų | 30 | 67.3 Ų | 67.3 | 18% | 0.184 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 145.5 | -179.2 | 63.4 | 0 | 0 | 0 | 0 | 110.2 | C67 I68 I98 V99 S102 | C67-T120 WeakPolarHBondContact O-CA 3.37Å; I68-T120 HydrophobicContact CD1-CG2 4.42Å; I68-T120 HydrophobicContact CG1-CG2 4.08Å; I98-T120 VanDerWaalsContact O-CG2 3.3Å; I98-T120 WeakPolarHBondContact O-CG2 3.24Å; V99-T120 WeakPolarHBondContact O-CB 3.39Å; V99-T120 WeakPolarHBondContact O-CG2 3.21Å; V99-T120 PolarHBondContact O-OG1 3.38Å; S102-T120 PolarHBondContact OG-N 3.27Å; S102-T120 PolarHBondContact OG-O 3.03Å; S102-T120 PolarHBondContact OG-OG1 3.49Å |
| 121 | C | 92.2 | Very high | 88.4 | Confident | 34 Ų | 34 | 70.3 Ų | 70.3 | 23% | 0.23 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.7 | 162.6 | -179.9 | 54.7 | 0 | 0 | 0 | 0 | 110.3 | H66 C67 C126 | H66-C121 CarbonylContact C-O 3.56Å; H66-C121 VanDerWaalsContact CA-O 3.29Å; H66-C121 WeakPolarHBondContact CA-O 3.47Å; C67-C121 PolarHBondContact N-O 2.83Å; C67-C121 PolarHBondContact O-N 3.34Å; C67-C121 VanDerWaalsContact O-N 3.09Å; C121-C126 HydrophobicContact CB-CB 3.69Å; C121-C126 WeakPolarHBondContact CB-SG 3Å; C121-C126 WeakPolarHBondContact SG-CB 3.47Å; C121-C126 CovalentContact SG-SG 2.01Å; C121-C126 PolarHBondContact SG-SG 2.97Å |
| 122 | D | 91.6 | Very high | 86.9 | Confident | 110 Ų | 110 | 74 Ų | 74 | 59% | 0.588 | 36% | 0.364 | S | S | * | . | trans | -126.9 | 23 | -163.5 | 61.8 | -12.1 | 0 | 0 | 0 | 113.2 | ||||
| 123 | T | 91.5 | Very high | 85.4 | Confident | 84 Ų | 84 | 80.1 Ų | 80.1 | 52% | 0.515 | 38% | 0.383 | S | S | . | . | S | Bend | trans | -125.7 | 154.3 | 179.1 | 49.9 | 0 | 0 | 0 | 0 | 111.4 | G125 C126 | T123-G125 PolarHBondContact O-N 3.28Å; T123-C126 WeakPolarHBondContact O-CB 3.1Å; T123-C126 PolarHBondContact O-N 3.31Å; T123-C126 VanDerWaalsContact O-N 3.16Å; T123-C126 PolarHBondContact O-SG 2.81Å; T123-C126 VanDerWaalsContact OG1-CB 3.28Å; T123-C126 WeakPolarHBondContact OG1-CB 3.26Å |
| 124 | D | 91.9 | Very high | 83.9 | Confident | 110 Ų | 110 | 78.7 Ų | 78.7 | 59% | 0.588 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | 126.8 | -175.7 | -70.3 | -39.8 | 0 | 0 | 0 | 111.9 | T19 C126 | T19-D124 WeakPolarHBondContact CB-OD1 3.32Å; T19-D124 PolarHBondContact N-OD1 3.28Å; T19-D124 CarbonylContact O-C 3.52Å; T19-D124 WeakPolarHBondContact O-CA 3.37Å; T19-D124 PolarHBondContact OG1-OD1 2.82Å; D124-C126 PolarHBondContact O-N 2.89Å |
| 125 | G | 89.8 | Confident | 82.3 | Confident | 15 Ų | 15 | 82.1 Ų | 82.1 | 16% | 0.155 | 41% | 0.407 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 66.5 | 16.7 | 177 | 0 | 0 | 0 | 0 | 0 | 114.6 | T19 Y21 T123 N127 A128 | T19-G125 PolarHBondContact O-N 3.37Å; Y21-G125 WeakPolarHBondContact CE2-O 3.29Å; T123-G125 PolarHBondContact O-N 3.28Å; G125-N127 VanDerWaalsContact C-N 3.26Å; G125-N127 PolarHBondContact O-N 2.86Å; G125-A128 PolarHBondContact O-N 2.97Å |
| 126 | C | 91.6 | Very high | 80.9 | Confident | 39 Ų | 39 | 81.6 Ų | 81.6 | 26% | 0.264 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -21 | -172.6 | 66.6 | 0 | 0 | 0 | 0 | 114.3 | C121 T123 D124 A128 | C121-C126 HydrophobicContact CB-CB 3.69Å; C121-C126 WeakPolarHBondContact CB-SG 3Å; C121-C126 WeakPolarHBondContact SG-CB 3.47Å; C121-C126 CovalentContact SG-SG 2.01Å; C121-C126 PolarHBondContact SG-SG 2.97Å; T123-C126 WeakPolarHBondContact O-CB 3.1Å; T123-C126 PolarHBondContact O-N 3.31Å; T123-C126 VanDerWaalsContact O-N 3.16Å; T123-C126 PolarHBondContact O-SG 2.81Å; T123-C126 VanDerWaalsContact OG1-CB 3.28Å; T123-C126 WeakPolarHBondContact OG1-CB 3.26Å; D124-C126 PolarHBondContact O-N 2.89Å; C126-A128 PolarHBondContact O-N 3.41Å |
| 127 | N | 92 | Very high | 79.9 | Confident | 5 Ų | 5 | 84.7 Ų | 84.7 | 3% | 0.027 | 42% | 0.424 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | 18.1 | 178.2 | 68.5 | -22 | 0 | 0 | 0 | 113.6 | Y21 C67 I68 K69 R83 G125 | Y21-N127 WeakPolarHBondContact CB-OD1 3.31Å; Y21-N127 WeakPolarHBondContact CD2-OD1 3.09Å; Y21-N127 PolarHBondContact N-OD1 3.1Å; Y21-N127 PolarHBondContact O-ND2 3.23Å; C67-N127 HydrophobicContact CB-CB 3.66Å; I68-N127 PolarHBondContact O-ND2 2.73Å; K69-N127 HydrophobicContact CB-CB 4.15Å; R83-N127 WeakPolarHBondContact CD-O 3.35Å; R83-N127 PolarHBondContact NE-O 3.13Å; G125-N127 VanDerWaalsContact C-N 3.26Å; G125-N127 PolarHBondContact O-N 2.86Å |
| 128 | A | 84.9 | Confident | 79 | Confident | 36 Ų | 36 | 88.6 Ų | 88.6 | 30% | 0.298 | 44% | 0.442 | S | S | . | . | trans | -60.6 | 161.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113 | Y21 F37 G125 C126 | Y21-A128 HydrophobicContact CD2-CB 4.14Å; Y21-A128 HydrophobicContact CE2-CB 3.84Å; F37-A128 HydrophobicContact CD1-CB 4.46Å; G125-A128 PolarHBondContact O-N 2.97Å; C126-A128 PolarHBondContact O-N 3.41Å | ||
| 129 | G | 77.7 | Confident | 78.3 | Confident | 11 Ų | 11 | 93.6 Ų | 93.6 | 11% | 0.113 | 47% | 0.467 | C | S | . | . | trans | -60.5 | 151.4 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | R131 | G129-R131 PolarHBondContact O-N 3.43Š| ||
| 130 | R | 67.7 | Low | 77.7 | Confident | 201 Ų | 201 | 96.1 Ų | 96.1 | 76% | 0.758 | 48% | 0.481 | S | S | * | . | trans | -66.1 | 105.4 | 171.6 | -84.4 | -176.6 | 172.7 | -176.9 | -0 | 108.2 | R132 | R130-R132 PolarHBondContact O-N 3.44Š| ||
| 131 | R | 59.8 | Low | 77.3 | Confident | 197 Ų | 197 | 97.5 Ų | 97.5 | 74% | 0.743 | 50% | 0.496 | S | S | * | . | trans | -56.5 | 115.6 | 162.5 | -70.8 | -170.5 | -174.7 | -166.7 | -0.6 | 107.3 | G129 R133 | G129-R131 PolarHBondContact O-N 3.43Å; R131-R133 PolarHBondContact O-N 2.94Å | ||
| 132 | R | 56.7 | Low | 77.1 | Confident | 229 Ų | 229 | 101.2 Ų | 101.2 | 86% | 0.864 | 51% | 0.513 | S | S | * | . | trans | -56.7 | 104.8 | 168.3 | -73.2 | -172.3 | 176.7 | -164.5 | 0.4 | 106.7 | R130 I134 | R130-R132 PolarHBondContact O-N 3.44Å; R132-I134 HydrophobicContact CB-CG1 4.27Å; R132-I134 PolarHBondContact O-N 2.81Å | ||
| 133 | R | 56.6 | Low | 76.8 | Confident | 222 Ų | 222 | 99.2 Ų | 99.2 | 84% | 0.838 | 51% | 0.508 | S | S | * | . | trans | -71.3 | 83.5 | 173.9 | -72.9 | -170.1 | -178 | -174.3 | 1.8 | 107.9 | R131 V135 | R131-R133 PolarHBondContact O-N 2.94Å; R133-V135 PolarHBondContact O-N 2.97Å | ||
| 134 | I | 61.5 | Low | 76.7 | Confident | 129 Ų | 129 | 101.2 Ų | 101.2 | 66% | 0.662 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | -13.6 | 176 | -62.3 | 170.7 | 0 | 0 | 0 | 111 | R132 P137 | R132-I134 HydrophobicContact CB-CG1 4.27Å; R132-I134 PolarHBondContact O-N 2.81Å; I134-P137 VanDerWaalsContact O-CD 3.31Å; I134-P137 WeakPolarHBondContact O-CD 3.36Å; I134-P137 WeakPolarHBondContact O-CG 3.35Å |
| 135 | V | 62.5 | Low | 76.4 | Confident | 92 Ų | 92 | 98.7 Ų | 98.7 | 56% | 0.558 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.9 | -21.1 | -172.4 | -149.2 | 0 | 0 | 0 | 0 | 114.1 | R133 L138 I139 | R133-V135 PolarHBondContact O-N 2.97Å; V135-L138 PolarHBondContact O-N 2.94Å; V135-I139 HydrophobicContact CG1-CD1 4.22Å; V135-I139 HydrophobicContact CG1-CG1 4.43Å; V135-I139 PolarHBondContact O-N 2.84Å |
| 136 | A | 65.8 | Low | 76.4 | Confident | 53 Ų | 53 | 103.3 Ų | 103.3 | 44% | 0.438 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -58.1 | -45.3 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | L138 I140 | A136-L138 PolarHBondContact O-N 2.81Å; A136-I140 WeakPolarHBondContact O-CG1 3.45Å; A136-I140 PolarHBondContact O-N 3.26Å |
| 137 | P | 72.2 | Confident | 76.1 | Confident | 85 Ų | 85 | 106.4 Ų | 106.4 | 55% | 0.552 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -67.8 | -30.9 | -179.4 | 24.5 | -34.8 | 0 | 0 | 0 | 113.8 | I134 A141 | I134-P137 VanDerWaalsContact O-CD 3.31Å; I134-P137 WeakPolarHBondContact O-CD 3.36Å; I134-P137 WeakPolarHBondContact O-CG 3.35Å; P137-A141 WeakPolarHBondContact O-CB 3.49Å; P137-A141 PolarHBondContact O-N 3.49Å |
| 138 | L | 76.1 | Confident | 75.8 | Confident | 112 Ų | 112 | 110.3 Ų | 110.3 | 59% | 0.586 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -70.3 | -41 | -179.5 | -74.2 | 170.9 | 0 | 0 | 0 | 112.2 | V135 A136 A141 L142 | V135-L138 PolarHBondContact O-N 2.94Å; A136-L138 PolarHBondContact O-N 2.81Å; L138-A141 PolarHBondContact O-N 3.4Å; L138-L142 WeakPolarHBondContact O-CB 3.28Å; L138-L142 PolarHBondContact O-N 3.39Å |
| 139 | I | 77.3 | Confident | 75.6 | Confident | 110 Ų | 110 | 112.1 Ų | 112.1 | 56% | 0.564 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -66.3 | -41.7 | 178.2 | -61.2 | 173.4 | 0 | 0 | 0 | 110.2 | V135 L142 S143 | V135-I139 HydrophobicContact CG1-CD1 4.22Å; V135-I139 HydrophobicContact CG1-CG1 4.43Å; V135-I139 PolarHBondContact O-N 2.84Å; I139-L142 PolarHBondContact O-N 3.32Å; I139-S143 WeakPolarHBondContact O-CB 3.23Å; I139-S143 PolarHBondContact O-N 2.91Å; I139-S143 PolarHBondContact O-OG 3.44Å; I139-S143 VanDerWaalsContact O-OG 3.14Å |
| 140 | I | 79.4 | Confident | 75.7 | Confident | 114 Ų | 114 | 119.2 Ų | 119.2 | 59% | 0.585 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -62.8 | -46.2 | 176 | -63.3 | 168.8 | 0 | 0 | 0 | 110.2 | A136 L142 S143 F144 | A136-I140 WeakPolarHBondContact O-CG1 3.45Å; A136-I140 PolarHBondContact O-N 3.26Å; I140-L142 PolarHBondContact O-N 3.14Å; I140-S143 WeakPolarHBondContact CA-OG 3.09Å; I140-S143 PolarHBondContact O-N 3.38Å; I140-S143 PolarHBondContact O-OG 3.13Å; I140-F144 WeakPolarHBondContact O-CB 3.27Å; I140-F144 PolarHBondContact O-N 3.05Å |
| 141 | A | 84.3 | Confident | 75.9 | Confident | 59 Ų | 59 | 116.1 Ų | 116.1 | 49% | 0.488 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -62.4 | -43.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113 | P137 L138 F144 A145 | P137-A141 WeakPolarHBondContact O-CB 3.49Å; P137-A141 PolarHBondContact O-N 3.49Å; L138-A141 PolarHBondContact O-N 3.4Å; A141-F144 PolarHBondContact O-N 2.75Å; A141-A145 WeakPolarHBondContact O-CB 3.43Å; A141-A145 PolarHBondContact O-N 3.27Å |
| 142 | L | 87.2 | Confident | 76.4 | Confident | 113 Ų | 113 | 111.4 Ų | 111.4 | 59% | 0.592 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -63.2 | -43.8 | 175.5 | -92.6 | 147.1 | 0 | 0 | 0 | 112.1 | L138 I139 I140 F144 A145 L146 | L138-L142 WeakPolarHBondContact O-CB 3.28Å; L138-L142 PolarHBondContact O-N 3.39Å; I139-L142 PolarHBondContact O-N 3.32Å; I140-L142 PolarHBondContact O-N 3.14Å; L142-F144 VanDerWaalsContact C-N 3.35Å; L142-F144 PolarHBondContact O-N 2.96Å; L142-A145 PolarHBondContact O-N 2.88Å; L142-L146 WeakPolarHBondContact O-CB 3.21Å; L142-L146 PolarHBondContact O-N 2.93Å |
| 143 | S | 87 | Confident | 76.9 | Confident | 68 Ų | 68 | 105.2 Ų | 105.2 | 48% | 0.476 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -64.3 | -39 | 177.3 | 65.3 | 0 | 0 | 0 | 0 | 112.3 | I139 I140 L146 L147 | I139-S143 WeakPolarHBondContact O-CB 3.23Å; I139-S143 PolarHBondContact O-N 2.91Å; I139-S143 PolarHBondContact O-OG 3.44Å; I139-S143 VanDerWaalsContact O-OG 3.14Å; I140-S143 WeakPolarHBondContact CA-OG 3.09Å; I140-S143 PolarHBondContact O-N 3.38Å; I140-S143 PolarHBondContact O-OG 3.13Å; S143-L146 PolarHBondContact O-N 2.98Å; S143-L147 WeakPolarHBondContact O-CB 3.35Å; S143-L147 PolarHBondContact O-N 3Å |
| 144 | F | 87.6 | Confident | 77.1 | Confident | 126 Ų | 126 | 99.4 Ų | 99.4 | 55% | 0.553 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -68.7 | -41.7 | 175.7 | -164.1 | -103.7 | 0 | 0 | 0 | 112 | I140 A141 L142 L147 L148 | I140-F144 WeakPolarHBondContact O-CB 3.27Å; I140-F144 PolarHBondContact O-N 3.05Å; A141-F144 PolarHBondContact O-N 2.75Å; L142-F144 VanDerWaalsContact C-N 3.35Å; L142-F144 PolarHBondContact O-N 2.96Å; F144-L147 PolarHBondContact O-N 3.18Å; F144-L148 HydrophobicContact CD1-CD1 3.7Å; F144-L148 HydrophobicContact CD1-CG 4.19Å; F144-L148 HydrophobicContact CE1-CD1 3.56Å; F144-L148 HydrophobicContact CE1-CD2 4.42Å; F144-L148 HydrophobicContact CE1-CG 4.05Å; F144-L148 HydrophobicContact CZ-CD1 4.47Å; F144-L148 WeakPolarHBondContact O-CG 3.28Å; F144-L148 PolarHBondContact O-N 3.36Å |
| 145 | A | 87.7 | Confident | 76.9 | Confident | 57 Ų | 57 | 101.6 Ų | 101.6 | 47% | 0.471 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -63.2 | -40.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | A141 L142 L148 S149 | A141-A145 WeakPolarHBondContact O-CB 3.43Å; A141-A145 PolarHBondContact O-N 3.27Å; L142-A145 PolarHBondContact O-N 2.88Å; A145-L148 PolarHBondContact O-N 3.17Å; A145-S149 PolarHBondContact O-N 2.81Å |
| 146 | L | 88.2 | Confident | 76.7 | Confident | 111 Ų | 111 | 107.4 Ų | 107.4 | 58% | 0.581 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -62.7 | -44.1 | 174 | -124.9 | 106.2 | 0 | 0 | 0 | 111.1 | L142 S143 L148 S149 Q150 | L142-L146 WeakPolarHBondContact O-CB 3.21Å; L142-L146 PolarHBondContact O-N 2.93Å; S143-L146 PolarHBondContact O-N 2.98Å; L146-L148 PolarHBondContact O-N 2.88Å; L146-S149 PolarHBondContact O-N 2.05Å; L146-S149 PolarHBondContact O-OG 2.79Å; L146-Q150 VanDerWaalsContact O-CG 3.3Å; L146-Q150 WeakPolarHBondContact O-CG 3.33Å; L146-Q150 PolarHBondContact O-N 3.31Å |
| 147 | L | 86.8 | Confident | 75.8 | Confident | 105 Ų | 105 | 110 Ų | 110 | 55% | 0.55 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -62.6 | -43.2 | 178.2 | -151.7 | 85.4 | 0 | 0 | 0 | 111.5 | S143 F144 S149 Q150 M151 | S143-L147 WeakPolarHBondContact O-CB 3.35Å; S143-L147 PolarHBondContact O-N 3Å; F144-L147 PolarHBondContact O-N 3.18Å; L147-S149 VanDerWaalsContact C-N 3.34Å; L147-S149 PolarHBondContact O-N 3Å; L147-Q150 PolarHBondContact O-N 2.86Å; L147-M151 HydrophobicContact CD2-CE 4.19Å; L147-M151 HydrophobicContact CG-CE 4.45Å; L147-M151 PolarHBondContact O-N 3.11Å |
| 148 | L | 83.9 | Confident | 74.8 | Confident | 87 Ų | 87 | 114 Ų | 114 | 46% | 0.455 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -63.5 | -39.2 | 175.5 | -73.3 | 175.3 | 0 | 0 | 0 | 112 | F144 A145 L146 Q150 M151 V152 | F144-L148 HydrophobicContact CD1-CD1 3.7Å; F144-L148 HydrophobicContact CD1-CG 4.19Å; F144-L148 HydrophobicContact CE1-CD1 3.56Å; F144-L148 HydrophobicContact CE1-CD2 4.42Å; F144-L148 HydrophobicContact CE1-CG 4.05Å; F144-L148 HydrophobicContact CZ-CD1 4.47Å; F144-L148 WeakPolarHBondContact O-CG 3.28Å; F144-L148 PolarHBondContact O-N 3.36Å; A145-L148 PolarHBondContact O-N 3.17Å; L146-L148 PolarHBondContact O-N 2.88Å; L148-Q150 PolarHBondContact O-N 3.29Å; L148-M151 PolarHBondContact O-N 2.83Å; L148-V152 PolarHBondContact O-N 3.47Å |
| 149 | S | 82.2 | Confident | 73.4 | Confident | 73 Ų | 73 | 117.3 Ų | 117.3 | 51% | 0.51 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -63.8 | -26.4 | 177.8 | 75.4 | 0 | 0 | 0 | 0 | 113.4 | A145 L146 L147 | A145-S149 PolarHBondContact O-N 2.81Å; L146-S149 PolarHBondContact O-N 2.05Å; L146-S149 PolarHBondContact O-OG 2.79Å; L147-S149 VanDerWaalsContact C-N 3.34Å; L147-S149 PolarHBondContact O-N 3Å |
| 150 | Q | 80.1 | Confident | 72.1 | Confident | 160 Ų | 160 | 121.5 Ų | 121.5 | 75% | 0.748 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -79.6 | -20.6 | 175.2 | -59.5 | -91.1 | -39.9 | 0 | 0 | 112.2 | L146 L147 L148 | L146-Q150 VanDerWaalsContact O-CG 3.3Å; L146-Q150 WeakPolarHBondContact O-CG 3.33Å; L146-Q150 PolarHBondContact O-N 3.31Å; L147-Q150 PolarHBondContact O-N 2.86Å; L148-Q150 PolarHBondContact O-N 3.29Å |
| 151 | M | 70.8 | Confident | 71.7 | Confident | 136 Ų | 136 | 121.9 Ų | 121.9 | 67% | 0.67 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -90 | -10.1 | 178.1 | -66.4 | -172.8 | -178.7 | 0 | 0 | 113.4 | L147 L148 P153 | L147-M151 HydrophobicContact CD2-CE 4.19Å; L147-M151 HydrophobicContact CG-CE 4.45Å; L147-M151 PolarHBondContact O-N 3.11Å; L148-M151 PolarHBondContact O-N 2.83Å; M151-P153 WeakPolarHBondContact O-CD 3.49Å |
| 152 | V | 71.4 | Confident | 71.1 | Confident | 98 Ų | 98 | 125.2 Ų | 125.2 | 59% | 0.594 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -84.4 | 107.2 | 174.2 | -178.8 | 0 | 0 | 0 | 0 | 108.2 | L148 | L148-V152 PolarHBondContact O-N 3.47Š|
| 153 | P | 65.3 | Low | 70.2 | Confident | 99 Ų | 99 | 125.8 Ų | 125.8 | 64% | 0.643 | 68% | 0.683 | S | S | * | * | trans | -61.6 | 144.6 | 173.8 | 26.8 | -33.2 | 0 | 0 | 0 | 109.1 | M151 L155 | M151-P153 WeakPolarHBondContact O-CD 3.49Å; P153-L155 PolarHBondContact O-N 2.87Å; P153-L155 VanDerWaalsContact O-N 3.1Å | ||
| 154 | P | 61.5 | Low | 69.2 | Low | 100 Ų | 100 | 129.2 Ų | 129.2 | 65% | 0.649 | 70% | 0.695 | S | S | * | * | trans | -60.3 | 122 | 178.7 | 26.4 | -33.4 | 0 | 0 | 0 | 108.6 | R156 | P154-R156 HydrophobicContact CB-CG 4.28Å; P154-R156 PolarHBondContact O-N 2.99Å | ||
| 155 | L | 57.9 | Low | 68 | Low | 176 Ų | 176 | 129.4 Ų | 129.4 | 92% | 0.921 | 70% | 0.704 | S | S | * | * | trans | -61.6 | 82.1 | 164.6 | -91.6 | 133.4 | 0 | 0 | 0 | 108 | P153 | P153-L155 PolarHBondContact O-N 2.87Å; P153-L155 VanDerWaalsContact O-N 3.1Å | ||
| 156 | R | 57.3 | Low | 66.7 | Low | 214 Ų | 214 | 134.3 Ų | 134.3 | 81% | 0.808 | 72% | 0.72 | S | S | * | * | trans | -93.6 | 109.5 | 170 | -80.8 | -177.8 | 177.4 | -132.3 | 1 | 108.2 | P154 | P154-R156 HydrophobicContact CB-CG 4.28Å; P154-R156 PolarHBondContact O-N 2.99Å | ||
| 157 | C | 48 | Very low | 65.2 | Low | 106 Ų | 106 | 135.9 Ų | 135.9 | 72% | 0.716 | 73% | 0.73 | S | S | * | * | trans | 73.3 | 104.9 | 149 | -53.9 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 158 | L | 50.9 | Low | 63.5 | Low | 169 Ų | 169 | 138.3 Ų | 138.3 | 89% | 0.885 | 74% | 0.743 | S | S | * | * | -122.1 | 85 | 129.7 | -149 | 79.8 | 0 | 0 | 0 | 107.5 | |||||
| 159 | Q | 46.1 | Very low | 61.8 | Low | 182 Ų | 182 | 142.6 Ų | 142.6 | 85% | 0.85 | 77% | 0.767 | S | S | * | * | trans | -99.9 | 98.3 | 161.6 | -110.5 | 176.1 | -71.6 | 0 | 0 | 106 | ||||
| 160 | T | 50.4 | Low | 60 | Low | 198 Ų | 198 | 148.9 Ų | 148.9 | 100% | 1.215 | 79% | 0.791 | S | S | * | * | trans | -160.5 | 0 | 153.2 | 44.7 | 0 | 0 | 0 | 0 | 107.4 |
Retrieved 160 of 160 residues in 125.2 ms
(Link to these results)