| 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 | 36.3 | Very low | 34.5 | Very low | 232 Ų | 232 | 148.2 Ų | 148.2 | 100% | 1.143 | 77% | 0.767 | S | S | * | * | 0 | 99.7 | 0 | -173.3 | 179.8 | -91.4 | 0 | 0 | 107.3 | I3 | M1-I3 PolarHBondContact O-N 3.31Š| |||
| 2 | C | 32.1 | Very low | 35.4 | Very low | 125 Ų | 125 | 144.1 Ų | 144.1 | 85% | 0.845 | 76% | 0.756 | S | S | * | * | trans | -74.8 | 110.3 | 177.1 | -75.5 | 0 | 0 | 0 | 0 | 108.3 | R4 | C2-R4 VanDerWaalsContact C-N 3.32Å; C2-R4 PolarHBondContact O-N 3.36Å | ||
| 3 | I | 30.9 | Very low | 36.7 | Very low | 139 Ų | 139 | 135.8 Ų | 135.8 | 71% | 0.713 | 71% | 0.709 | S | S | * | * | trans | -73.8 | 92 | 174.6 | -57.3 | 175.5 | 0 | 0 | 0 | 106.9 | M1 F5 | M1-I3 PolarHBondContact O-N 3.31Å; I3-F5 PolarHBondContact O-N 3.03Å | ||
| 4 | R | 26.3 | Very low | 37.8 | Very low | 233 Ų | 233 | 131.5 Ų | 131.5 | 88% | 0.879 | 70% | 0.703 | S | S | * | * | trans | -69 | 112.9 | 166.6 | -76.3 | -175.6 | 174.4 | -174.4 | -1.4 | 107.4 | C2 S6 | C2-R4 VanDerWaalsContact C-N 3.32Å; C2-R4 PolarHBondContact O-N 3.36Å; R4-S6 PolarHBondContact O-N 3.31Å; R4-S6 VanDerWaalsContact O-N 3.09Å | ||
| 5 | F | 32.6 | Very low | 39.4 | Very low | 192 Ų | 192 | 133.4 Ų | 133.4 | 84% | 0.842 | 71% | 0.713 | S | S | * | * | trans | -60.7 | 111.9 | 161.1 | -73.9 | -84.5 | 0 | 0 | 0 | 107.7 | I3 S7 | I3-F5 PolarHBondContact O-N 3.03Å; F5-S7 PolarHBondContact O-N 3.04Å | ||
| 6 | S | 27.9 | Very low | 41.5 | Very low | 81 Ų | 81 | 128.9 Ų | 128.9 | 57% | 0.566 | 69% | 0.69 | S | S | * | * | trans | -64.2 | 123.8 | 172.3 | 59.6 | 0 | 0 | 0 | 0 | 108.9 | R4 K8 V9 | R4-S6 PolarHBondContact O-N 3.31Å; R4-S6 VanDerWaalsContact O-N 3.09Å; S6-K8 PolarHBondContact O-N 3.39Å; S6-V9 WeakPolarHBondContact OG-CG2 3.46Å | ||
| 7 | S | 31.4 | Very low | 44.2 | Very low | 127 Ų | 127 | 124.8 Ų | 124.8 | 89% | 0.888 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.3 | 17.5 | -172.1 | 47.9 | 0 | 0 | 0 | 0 | 115.8 | F5 | F5-S7 PolarHBondContact O-N 3.04Š|
| 8 | K | 33.8 | Very low | 46.9 | Very low | 194 Ų | 194 | 118.6 Ų | 118.6 | 84% | 0.843 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -151.4 | 40 | 177.3 | -73.6 | -167.9 | 176.1 | -178.3 | 0 | 113.1 | S6 D10 | S6-K8 PolarHBondContact O-N 3.39Å; K8-D10 PolarHBondContact O-N 3.23Å |
| 9 | V | 41.2 | Very low | 49.3 | Very low | 102 Ų | 102 | 113.2 Ų | 113.2 | 62% | 0.618 | 61% | 0.609 | S | S | * | * | trans | -73 | 111.7 | 155.7 | -175.6 | 0 | 0 | 0 | 0 | 103.9 | S6 D11 | S6-V9 WeakPolarHBondContact OG-CG2 3.46Å; V9-D11 VanDerWaalsContact C-N 3.32Å; V9-D11 PolarHBondContact O-N 3.36Å | ||
| 10 | D | 40.8 | Very low | 51.6 | Low | 151 Ų | 151 | 110.3 Ų | 110.3 | 81% | 0.807 | 59% | 0.591 | S | S | * | * | trans | -46.5 | 107.6 | 163.3 | -76.8 | -37.7 | 0 | 0 | 0 | 105.7 | K8 P12 | K8-D10 PolarHBondContact O-N 3.23Å; D10-P12 WeakPolarHBondContact O-CD 3.41Å | ||
| 11 | D | 46.4 | Very low | 53.5 | Low | 54 Ų | 54 | 105.2 Ų | 105.2 | 29% | 0.289 | 56% | 0.564 | S | S | . | * | trans | -58.3 | 111.2 | 179.8 | -176.9 | -14.1 | 0 | 0 | 0 | 104.4 | V9 Y13 A14 R72 | V9-D11 VanDerWaalsContact C-N 3.32Å; V9-D11 PolarHBondContact O-N 3.36Å; D11-Y13 PolarHBondContact O-N 3.08Å; D11-Y13 WeakPolarHBondContact OD1-CB 3.34Å; D11-Y13 VanDerWaalsContact OD1-CD2 3.22Å; D11-Y13 WeakPolarHBondContact OD1-CD2 3.32Å; D11-Y13 PolarHBondContact OD1-N 3.38Å; D11-Y13 VanDerWaalsContact OD1-N 3.16Å; D11-A14 HydrophobicContact CB-CB 4.43Å; D11-A14 PolarHBondContact O-N 3.42Å; D11-R72 IonicContact OD1-NH1 2.78Å; D11-R72 IonicContact OD2-CZ 2.89Å; D11-R72 IonicContact OD2-NH1 3.21Å; D11-R72 PolarHBondContact OD2-NH1 3.08Å; D11-R72 IonicContact OD2-NH2 3.92Å; D11-R72 PolarHBondContact OD2-NH2 3.06Å | ||
| 12 | P | 45.6 | Very low | 56.3 | Low | 99 Ų | 99 | 94.2 Ų | 94.2 | 64% | 0.643 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | -10.5 | -174.8 | -19.8 | 30 | 0 | 0 | 0 | 112.1 | D10 | D10-P12 WeakPolarHBondContact O-CD 3.41Š|
| 13 | Y | 51.2 | Low | 59.3 | Low | 36 Ų | 36 | 88.5 Ų | 88.5 | 14% | 0.141 | 47% | 0.471 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -117.3 | 10.9 | -170.7 | -46.5 | -70.8 | 0 | 0 | 0 | 113.1 | D11 N15 N16 I278 | D11-Y13 PolarHBondContact O-N 3.08Å; D11-Y13 WeakPolarHBondContact OD1-CB 3.34Å; D11-Y13 VanDerWaalsContact OD1-CD2 3.22Å; D11-Y13 WeakPolarHBondContact OD1-CD2 3.32Å; D11-Y13 PolarHBondContact OD1-N 3.38Å; D11-Y13 VanDerWaalsContact OD1-N 3.16Å; Y13-N15 PolarHBondContact O-N 2.69Å; Y13-N16 WeakPolarHBondContact CD1-ND2 3.44Å; Y13-N16 WeakPolarHBondContact O-CB 3.34Å; Y13-N16 PolarHBondContact O-N 3.45Å; Y13-I278 HydrophobicContact CE1-CD1 3.7Å; Y13-I278 HydrophobicContact CE1-CG1 4.1Å |
| 14 | A | 52.6 | Low | 62.3 | Low | 76 Ų | 76 | 85.4 Ų | 85.4 | 63% | 0.628 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.9 | -25.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | D11 | D11-A14 HydrophobicContact CB-CB 4.43Å; D11-A14 PolarHBondContact O-N 3.42Å |
| 15 | N | 61.9 | Low | 65.5 | Low | 160 Ų | 160 | 75.7 Ų | 75.7 | 86% | 0.856 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.8 | -0.1 | 179.1 | -63.6 | -27.2 | 0 | 0 | 0 | 114 | Y13 | Y13-N15 PolarHBondContact O-N 2.69Š|
| 16 | N | 72.5 | Confident | 68.6 | Low | 62 Ų | 62 | 66.5 Ų | 66.5 | 33% | 0.332 | 38% | 0.38 | S | S | . | . | S | Bend | trans | -73.6 | 145.5 | 179 | -78.8 | 0.6 | 0 | 0 | 0 | 111.1 | Y13 S18 A21 | Y13-N16 WeakPolarHBondContact CD1-ND2 3.44Å; Y13-N16 WeakPolarHBondContact O-CB 3.34Å; Y13-N16 PolarHBondContact O-N 3.45Å; N16-S18 PolarHBondContact O-N 2.89Å; N16-A21 HydrophobicContact CB-CB 4.42Å |
| 17 | P | 88 | Confident | 71.8 | Confident | 58 Ų | 58 | 62.9 Ų | 62.9 | 38% | 0.377 | 35% | 0.354 | S | S | . | . | trans | -52.5 | 140.7 | 167.5 | -24.9 | 33.5 | 0 | 0 | 0 | 111.5 | H19 K20 A21 | P17-H19 WeakPolarHBondContact CB-CE1 3.43Å; P17-H19 PolarHBondContact O-N 2.98Å; P17-H19 VanDerWaalsContact O-N 3.12Å; P17-K20 HydrophobicContact CG-CD 4.44Å; P17-K20 PolarHBondContact O-N 3.08Å; P17-A21 PolarHBondContact O-N 3.36Å; P17-A21 VanDerWaalsContact O-N 3.12Å | ||
| 18 | S | 92 | Very high | 74.9 | Confident | 13 Ų | 13 | 58.8 Ų | 58.8 | 9% | 0.091 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -51.8 | -40.1 | -174.6 | -57.1 | 0 | 0 | 0 | 0 | 112.6 | N16 K20 A21 F22 I71 R72 | N16-S18 PolarHBondContact O-N 2.89Å; S18-K20 PolarHBondContact O-N 3.17Å; S18-A21 PolarHBondContact O-N 3.41Å; S18-F22 VanDerWaalsContact O-CB 3.28Å; S18-F22 WeakPolarHBondContact O-CB 3.44Å; S18-F22 PolarHBondContact O-N 3.36Å; S18-I71 WeakPolarHBondContact CB-O 3.19Å; S18-R72 PolarHBondContact OG-O 3.09Å |
| 19 | H | 94 | Very high | 77.8 | Confident | 16 Ų | 16 | 53.5 Ų | 53.5 | 7% | 0.074 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -64.4 | -34.9 | 178.8 | 60.6 | -101 | 0 | 0 | 0 | 114.2 | P17 T23 L44 L47 L92 L96 M392 | P17-H19 WeakPolarHBondContact CB-CE1 3.43Å; P17-H19 PolarHBondContact O-N 2.98Å; P17-H19 VanDerWaalsContact O-N 3.12Å; H19-T23 VanDerWaalsContact O-CB 3.25Å; H19-T23 WeakPolarHBondContact O-CB 2.98Å; H19-T23 PolarHBondContact O-N 3.38Å; H19-T23 PolarHBondContact O-OG1 3.12Å; H19-L44 HydrophobicContact CB-CD2 4Å; H19-L47 HydrophobicContact CB-CD1 3.77Å; H19-L92 HydrophobicContact CB-CD1 4.49Å; H19-L96 HydrophobicContact CB-CD1 3.74Å; H19-M392 PolarHBondContact CD2-SD 3.16Å |
| 20 | K | 93.8 | Very high | 80.4 | Confident | 56 Ų | 56 | 48.7 Ų | 48.7 | 24% | 0.243 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -73.5 | -42.5 | 175.1 | -61.1 | -169.5 | -173.8 | 179.8 | 0 | 111.1 | P17 S18 T23 R24 L390 T391 M392 | P17-K20 HydrophobicContact CG-CD 4.44Å; P17-K20 PolarHBondContact O-N 3.08Å; S18-K20 PolarHBondContact O-N 3.17Å; K20-T23 PolarHBondContact O-N 3Å; K20-R24 PolarHBondContact O-N 2.89Å; K20-L390 WeakPolarHBondContact CE-O 3.31Å; K20-L390 PolarHBondContact NZ-O 3.09Å; K20-T391 PolarHBondContact NZ-OG1 3.38Å; K20-M392 HydrophobicContact CG-SD 4Å |
| 21 | A | 92 | Very high | 82.9 | Confident | 4 Ų | 4 | 42.1 Ų | 42.1 | 3% | 0.033 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -66 | -43.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | N16 P17 S18 A25 R72 | N16-A21 HydrophobicContact CB-CB 4.42Å; P17-A21 PolarHBondContact O-N 3.36Å; P17-A21 VanDerWaalsContact O-N 3.12Å; S18-A21 PolarHBondContact O-N 3.41Å; A21-A25 WeakPolarHBondContact O-CB 3.38Å; A21-A25 PolarHBondContact O-N 3.29Å; A21-A25 VanDerWaalsContact O-N 3.09Å; A21-R72 VanDerWaalsContact CB-CD 3.42Å |
| 22 | F | 95.1 | Very high | 84.9 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -59.5 | -49.8 | 171.1 | 176.1 | -93.9 | 0 | 0 | 0 | 111.2 | S18 R24 A25 F26 P43 I46 L47 L50 I71 M313 | S18-F22 VanDerWaalsContact O-CB 3.28Å; S18-F22 WeakPolarHBondContact O-CB 3.44Å; S18-F22 PolarHBondContact O-N 3.36Å; F22-R24 VanDerWaalsContact C-N 3.3Å; F22-R24 PolarHBondContact O-N 3.16Å; F22-A25 PolarHBondContact O-N 3.41Å; F22-A25 VanDerWaalsContact O-N 3.12Å; F22-F26 HydrophobicContact CD1-CB 4.43Å; F22-F26 HydrophobicContact CE1-CB 4.04Å; F22-F26 HydrophobicContact CE1-CG 4.34Å; F22-F26 HydrophobicContact CZ-CB 4.21Å; F22-F26 HydrophobicContact CZ-CD2 4.36Å; F22-F26 HydrophobicContact CZ-CG 4.45Å; F22-F26 VanDerWaalsContact O-CB 3.3Å; F22-F26 WeakPolarHBondContact O-CB 3.44Å; F22-F26 PolarHBondContact O-N 3.2Å; F22-P43 WeakPolarHBondContact CE1-O 3.45Å; F22-I46 HydrophobicContact CE1-CB 4.16Å; F22-I46 HydrophobicContact CE1-CG2 4.45Å; F22-I46 HydrophobicContact CZ-CB 4.12Å; F22-I46 HydrophobicContact CZ-CG2 3.9Å; F22-L47 HydrophobicContact CB-CD1 3.97Å; F22-L47 HydrophobicContact CD1-CB 3.71Å; F22-L47 HydrophobicContact CD1-CD1 3.85Å; F22-L47 HydrophobicContact CD1-CG 4.25Å; F22-L47 HydrophobicContact CE1-CB 3.71Å; F22-L47 HydrophobicContact CG-CB 4.44Å; F22-L47 HydrophobicContact CG-CD1 4.01Å; F22-L47 HydrophobicContact CZ-CB 4.43Å; F22-L50 HydrophobicContact CE2-CD1 3.84Å; F22-L50 HydrophobicContact CZ-CD1 3.93Å; F22-I71 HydrophobicContact CD2-CG1 4.15Å; F22-I71 HydrophobicContact CE2-CG1 4.41Å; F22-M313 HydrophobicContact CD2-CE 3.92Å; F22-M313 HydrophobicContact CE2-CE 3.64Å; F22-M313 HydrophobicContact CZ-CE 4.34Å |
| 23 | T | 95.8 | Very high | 86.9 | Confident | 6 Ų | 6 | 44.8 Ų | 44.8 | 4% | 0.037 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -55 | -46.6 | -179.2 | -68.3 | 0 | 0 | 0 | 0 | 111.9 | H19 K20 F26 L27 P43 M392 | H19-T23 VanDerWaalsContact O-CB 3.25Å; H19-T23 WeakPolarHBondContact O-CB 2.98Å; H19-T23 PolarHBondContact O-N 3.38Å; H19-T23 PolarHBondContact O-OG1 3.12Å; K20-T23 PolarHBondContact O-N 3Å; T23-F26 PolarHBondContact O-N 2.65Å; T23-L27 HydrophobicContact CG2-CD1 3.86Å; T23-L27 HydrophobicContact CG2-CG 4.41Å; T23-L27 WeakPolarHBondContact O-CB 3.38Å; T23-L27 VanDerWaalsContact O-CG 3.26Å; T23-L27 WeakPolarHBondContact O-CG 3.49Å; T23-L27 PolarHBondContact O-N 2.89Å; T23-P43 HydrophobicContact CG2-CB 3.67Å; T23-P43 HydrophobicContact CG2-CG 3.78Å; T23-M392 HydrophobicContact CG2-CE 3.78Å; T23-M392 WeakPolarHBondContact OG1-CE 3.27Å |
| 24 | R | 93.3 | Very high | 88.5 | Confident | 73 Ų | 73 | 45.5 Ų | 45.5 | 28% | 0.275 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -61.3 | -49 | 176 | 176.9 | 174.6 | 179.8 | -98.8 | -6.2 | 112.3 | K20 F22 F26 L27 S28 G275 | K20-R24 PolarHBondContact O-N 2.89Å; F22-R24 VanDerWaalsContact C-N 3.3Å; F22-R24 PolarHBondContact O-N 3.16Å; R24-F26 VanDerWaalsContact C-N 3.32Å; R24-F26 PolarHBondContact O-N 2.96Å; R24-L27 PolarHBondContact O-N 2.86Å; R24-S28 WeakPolarHBondContact O-CB 3.4Å; R24-S28 PolarHBondContact O-N 2.91Å; R24-G275 VanDerWaalsContact CD-O 3.27Å; R24-G275 WeakPolarHBondContact CD-O 3.42Å; R24-G275 WeakPolarHBondContact CG-O 3.32Å; R24-G275 PolarHBondContact NE-O 2.95Å |
| 25 | A | 94.1 | Very high | 89.3 | Confident | 29 Ų | 29 | 43.7 Ų | 43.7 | 24% | 0.24 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62.9 | -41.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | A21 F22 K29 M313 | A21-A25 WeakPolarHBondContact O-CB 3.38Å; A21-A25 PolarHBondContact O-N 3.29Å; A21-A25 VanDerWaalsContact O-N 3.09Å; F22-A25 PolarHBondContact O-N 3.41Å; F22-A25 VanDerWaalsContact O-N 3.12Å; A25-K29 WeakPolarHBondContact O-CG 3.4Å; A25-K29 PolarHBondContact O-N 3.42Å; A25-M313 HydrophobicContact CB-CE 4.06Å |
| 26 | F | 96.7 | Very high | 90.1 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63.3 | -51.9 | 176.6 | 175.8 | -98.1 | 0 | 0 | 0 | 111.1 | F22 T23 R24 S28 K29 S30 T41 P43 I46 L306 T309 M313 | F22-F26 HydrophobicContact CD1-CB 4.43Å; F22-F26 HydrophobicContact CE1-CB 4.04Å; F22-F26 HydrophobicContact CE1-CG 4.34Å; F22-F26 HydrophobicContact CZ-CB 4.21Å; F22-F26 HydrophobicContact CZ-CD2 4.36Å; F22-F26 HydrophobicContact CZ-CG 4.45Å; F22-F26 VanDerWaalsContact O-CB 3.3Å; F22-F26 WeakPolarHBondContact O-CB 3.44Å; F22-F26 PolarHBondContact O-N 3.2Å; T23-F26 PolarHBondContact O-N 2.65Å; R24-F26 VanDerWaalsContact C-N 3.32Å; R24-F26 PolarHBondContact O-N 2.96Å; F26-S28 VanDerWaalsContact C-N 3.31Å; F26-S28 PolarHBondContact O-N 3.22Å; F26-K29 PolarHBondContact O-N 2.92Å; F26-S30 WeakPolarHBondContact O-CB 3.35Å; F26-S30 PolarHBondContact O-N 3.07Å; F26-S30 PolarHBondContact O-OG 2.82Å; F26-T41 HydrophobicContact CE1-CG2 4Å; F26-T41 VanDerWaalsContact CE1-OG1 3.28Å; F26-T41 WeakPolarHBondContact CE1-OG1 3.19Å; F26-P43 HydrophobicContact CD1-CB 3.82Å; F26-P43 HydrophobicContact CD1-CG 3.96Å; F26-P43 HydrophobicContact CE1-CB 4.43Å; F26-P43 HydrophobicContact CE1-CG 4.35Å; F26-I46 HydrophobicContact CD2-CG2 4.27Å; F26-I46 HydrophobicContact CE1-CG1 4.14Å; F26-I46 HydrophobicContact CE2-CB 4.31Å; F26-I46 HydrophobicContact CE2-CG1 3.86Å; F26-I46 HydrophobicContact CE2-CG2 4.02Å; F26-I46 HydrophobicContact CZ-CG1 3.65Å; F26-L306 HydrophobicContact CE2-CD1 4.27Å; F26-L306 HydrophobicContact CE2-CD2 4Å; F26-L306 HydrophobicContact CZ-CD1 4.2Å; F26-L306 HydrophobicContact CZ-CD2 3.89Å; F26-T309 HydrophobicContact CD2-CG2 4.3Å; F26-T309 HydrophobicContact CE2-CG2 4.05Å; F26-M313 HydrophobicContact CB-CE 4.01Å; F26-M313 HydrophobicContact CB-SD 4.12Å; F26-M313 HydrophobicContact CD2-SD 3.93Å |
| 27 | L | 96.2 | Very high | 90.9 | Very high | 4 Ų | 4 | 46.4 Ų | 46.4 | 2% | 0.021 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -56.9 | -44.7 | 178.3 | -73.9 | 173.8 | 0 | 0 | 0 | 111.8 | T23 R24 K29 S30 T31 T41 P43 L273 A396 | T23-L27 HydrophobicContact CG2-CD1 3.86Å; T23-L27 HydrophobicContact CG2-CG 4.41Å; T23-L27 WeakPolarHBondContact O-CB 3.38Å; T23-L27 VanDerWaalsContact O-CG 3.26Å; T23-L27 WeakPolarHBondContact O-CG 3.49Å; T23-L27 PolarHBondContact O-N 2.89Å; R24-L27 PolarHBondContact O-N 2.86Å; L27-K29 PolarHBondContact O-N 3.29Å; L27-S30 WeakPolarHBondContact CA-OG 3.41Å; L27-S30 PolarHBondContact O-N 3.48Å; L27-S30 PolarHBondContact O-OG 2.49Å; L27-T31 WeakPolarHBondContact O-CB 3.3Å; L27-T31 VanDerWaalsContact O-CG2 3.27Å; L27-T31 WeakPolarHBondContact O-CG2 3.16Å; L27-T31 PolarHBondContact O-N 3.41Å; L27-T31 PolarHBondContact O-OG1 3.42Å; L27-T41 HydrophobicContact CD2-CG2 3.68Å; L27-P43 HydrophobicContact CD1-CG 4.29Å; L27-P43 HydrophobicContact CD2-CG 3.81Å; L27-P43 HydrophobicContact CG-CG 3.9Å; L27-L273 WeakPolarHBondContact CB-O 3.24Å; L27-A396 HydrophobicContact CD1-CB 4.37Å; L27-A396 HydrophobicContact CD2-CB 3.69Å |
| 28 | S | 95 | Very high | 91.2 | Very high | 42 Ų | 42 | 45.8 Ų | 45.8 | 29% | 0.294 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -56.5 | -36.1 | 177.2 | 179.8 | 0 | 0 | 0 | 0 | 112.9 | R24 F26 V32 N274 | R24-S28 WeakPolarHBondContact O-CB 3.4Å; R24-S28 PolarHBondContact O-N 2.91Å; F26-S28 VanDerWaalsContact C-N 3.31Å; F26-S28 PolarHBondContact O-N 3.22Å; S28-V32 WeakPolarHBondContact O-CG2 3.41Å; S28-N274 VanDerWaalsContact CA-O 3.24Å; S28-N274 WeakPolarHBondContact CA-O 3.45Å; S28-N274 WeakPolarHBondContact CB-O 3.34Å; S28-N274 PolarHBondContact N-O 3.28Å; S28-N274 VanDerWaalsContact N-O 3.14Å |
| 29 | K | 95.8 | Very high | 91.3 | Very high | 83 Ų | 83 | 45.3 Ų | 45.3 | 36% | 0.361 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -83.5 | -46.5 | 177.7 | -63.8 | -54.1 | -170.8 | 178.7 | 0 | 112.5 | A25 F26 L27 T31 V32 E33 T309 S312 M313 | A25-K29 WeakPolarHBondContact O-CG 3.4Å; A25-K29 PolarHBondContact O-N 3.42Å; F26-K29 PolarHBondContact O-N 2.92Å; L27-K29 PolarHBondContact O-N 3.29Å; K29-T31 PolarHBondContact O-N 3.34Å; K29-V32 PolarHBondContact O-N 2.94Å; K29-E33 PolarHBondContact O-N 2.73Å; K29-E33 VanDerWaalsContact O-N 3.15Å; K29-T309 HydrophobicContact CB-CG2 3.81Å; K29-S312 WeakPolarHBondContact CD-OG 3.43Å; K29-S312 WeakPolarHBondContact CG-OG 3.21Å; K29-M313 HydrophobicContact CB-CG 4.27Å; K29-M313 HydrophobicContact CG-CG 3.74Å |
| 30 | S | 95.2 | Very high | 91.4 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -65.1 | -38.8 | -175.8 | 63.8 | 0 | 0 | 0 | 0 | 111.8 | F26 L27 V32 E33 F34 F39 | F26-S30 WeakPolarHBondContact O-CB 3.35Å; F26-S30 PolarHBondContact O-N 3.07Å; F26-S30 PolarHBondContact O-OG 2.82Å; L27-S30 WeakPolarHBondContact CA-OG 3.41Å; L27-S30 PolarHBondContact O-N 3.48Å; L27-S30 PolarHBondContact O-OG 2.49Å; S30-V32 PolarHBondContact O-N 2.88Å; S30-E33 PolarHBondContact O-N 3.34Å; S30-F34 WeakPolarHBondContact O-CD2 3.41Å; S30-F34 PolarHBondContact O-N 2.87Å; S30-F39 WeakPolarHBondContact OG-CZ 3.38Å |
| 31 | T | 92.7 | Very high | 91.5 | Very high | 13 Ų | 13 | 41.9 Ų | 41.9 | 8% | 0.08 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -68.4 | -21.2 | 179.5 | 58.2 | 0 | 0 | 0 | 0 | 113.5 | L27 K29 F39 L273 N274 | L27-T31 WeakPolarHBondContact O-CB 3.3Å; L27-T31 VanDerWaalsContact O-CG2 3.27Å; L27-T31 WeakPolarHBondContact O-CG2 3.16Å; L27-T31 PolarHBondContact O-N 3.41Å; L27-T31 PolarHBondContact O-OG1 3.42Å; K29-T31 PolarHBondContact O-N 3.34Å; T31-F39 HydrophobicContact CG2-CD1 4.37Å; T31-F39 HydrophobicContact CG2-CE1 3.94Å; T31-L273 HydrophobicContact CG2-CD2 3.79Å; T31-L273 HydrophobicContact CG2-CG 3.75Å; T31-N274 HydrophobicContact CG2-CB 4.38Å; T31-N274 VanDerWaalsContact OG1-CB 3.32Å; T31-N274 WeakPolarHBondContact OG1-CB 3.34Å |
| 32 | V | 89 | Confident | 91.8 | Very high | 118 Ų | 118 | 41.7 Ų | 41.7 | 72% | 0.715 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -82.6 | -41.1 | 175.1 | 174.8 | 0 | 0 | 0 | 0 | 110.4 | S28 K29 S30 | S28-V32 WeakPolarHBondContact O-CG2 3.41Å; K29-V32 PolarHBondContact O-N 2.94Å; S30-V32 PolarHBondContact O-N 2.88Å |
| 33 | E | 88 | Confident | 91.9 | Very high | 92 Ų | 92 | 41.8 Ų | 41.8 | 43% | 0.43 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -66.9 | -46.6 | 179.6 | -169.1 | 70.5 | -171.2 | 0 | 0 | 111.8 | K29 S30 G35 Q308 | K29-E33 PolarHBondContact O-N 2.73Å; K29-E33 VanDerWaalsContact O-N 3.15Å; S30-E33 PolarHBondContact O-N 3.34Å; E33-G35 VanDerWaalsContact C-N 3.32Å; E33-G35 PolarHBondContact O-N 2.94Å; E33-G35 VanDerWaalsContact O-N 3.15Å; E33-Q308 WeakPolarHBondContact OE1-CG 3.08Å |
| 34 | F | 84.8 | Confident | 91.9 | Very high | 50 Ų | 50 | 41.5 Ų | 41.5 | 22% | 0.219 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -94.6 | 58.7 | -174.5 | -57.9 | -69.9 | 0 | 0 | 0 | 112.3 | S30 F39 L304 D305 L306 | S30-F34 WeakPolarHBondContact O-CD2 3.41Å; S30-F34 PolarHBondContact O-N 2.87Å; F34-F39 HydrophobicContact CB-CD2 3.58Å; F34-F39 HydrophobicContact CB-CE2 3.86Å; F34-F39 HydrophobicContact CD2-CD2 4.29Å; F34-F39 AromaticContact CD2-CE2 3.69Å; F34-F39 HydrophobicContact CD2-CE2 3.69Å; F34-F39 HydrophobicContact CG-CD2 4.23Å; F34-F39 HydrophobicContact CG-CE2 4.09Å; F34-L304 HydrophobicContact CD1-CD2 3.67Å; F34-L304 HydrophobicContact CD2-CD1 4.32Å; F34-L304 HydrophobicContact CD2-CD2 3.95Å; F34-L304 HydrophobicContact CE1-CB 4.21Å; F34-L304 HydrophobicContact CE1-CD2 3.76Å; F34-L304 HydrophobicContact CE2-CB 4.16Å; F34-L304 HydrophobicContact CE2-CD1 4.17Å; F34-L304 HydrophobicContact CE2-CD2 4.05Å; F34-L304 HydrophobicContact CE2-CG 4.37Å; F34-L304 HydrophobicContact CG-CD2 3.78Å; F34-L304 HydrophobicContact CZ-CB 3.8Å; F34-L304 HydrophobicContact CZ-CD2 3.96Å; F34-L304 HydrophobicContact CZ-CG 4.34Å; F34-D305 WeakPolarHBondContact CZ-O 3.23Å; F34-L306 HydrophobicContact CE2-CD2 3.62Å; F34-L306 HydrophobicContact CZ-CD2 3.9Å |
| 35 | G | 70.5 | Confident | 92.1 | Very high | 39 Ų | 39 | 38 Ų | 38 | 40% | 0.402 | 21% | 0.21 | S | C | . | . | trans | 50.5 | -167.3 | 148.6 | 0 | 0 | 0 | 0 | 0 | 120.1 | E33 K398 | E33-G35 VanDerWaalsContact C-N 3.32Å; E33-G35 PolarHBondContact O-N 2.94Å; E33-G35 VanDerWaalsContact O-N 3.15Å; G35-K398 PolarHBondContact O-NZ 2.76Å | ||
| 36 | Q | 77.2 | Confident | 92.4 | Very high | 153 Ų | 153 | 36.6 Ų | 36.6 | 72% | 0.715 | 20% | 0.199 | S | C | * | . | S | Bend | trans | -89.7 | -14.7 | 179.2 | -70.3 | -62.8 | -22.7 | 0 | 0 | 113.5 | K398 I400 | Q36-K398 PolarHBondContact O-NZ 2.9Å; Q36-I400 WeakPolarHBondContact O-CD1 3.23Å; Q36-I400 WeakPolarHBondContact O-CG1 3.15Å |
| 37 | D | 89.5 | Confident | 92.4 | Very high | 126 Ų | 126 | 36.6 Ų | 36.6 | 67% | 0.674 | 20% | 0.199 | S | C | * | . | S | Bend | trans | -75.6 | -178.4 | -177.8 | -58.4 | -51.6 | 0 | 0 | 0 | 113.5 | F39 K398 | D37-F39 PolarHBondContact O-N 2.87Å; D37-K398 WeakPolarHBondContact O-CE 3.44Å; D37-K398 PolarHBondContact O-NZ 3.2Å |
| 38 | N | 94 | Very high | 92.5 | Very high | 44 Ų | 44 | 36.5 Ų | 36.5 | 24% | 0.235 | 20% | 0.198 | C | C | . | . | trans | -50.2 | 135.3 | 172.7 | -72.7 | -16 | 0 | 0 | 0 | 111.4 | L300 K398 I400 E401 | N38-L300 HydrophobicContact CB-CD2 4Å; N38-L300 VanDerWaalsContact ND2-CD2 3.28Å; N38-L300 WeakPolarHBondContact ND2-CD2 3.4Å; N38-K398 WeakPolarHBondContact CA-O 3.32Å; N38-I400 WeakPolarHBondContact OD1-CA 3.17Å; N38-I400 PolarHBondContact OD1-N 2.63Å; N38-E401 PolarHBondContact ND2-O 3.26Å; N38-E401 PolarHBondContact OD1-N 3.37Å | ||
| 39 | F | 95 | Very high | 92.7 | Very high | 3 Ų | 3 | 34.5 Ų | 34.5 | 1% | 0.013 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 140.7 | 179.5 | 174.8 | -104.2 | 0 | 0 | 0 | 109.6 | S30 T31 F34 D37 T41 L273 L304 A397 K398 | S30-F39 WeakPolarHBondContact OG-CZ 3.38Å; T31-F39 HydrophobicContact CG2-CD1 4.37Å; T31-F39 HydrophobicContact CG2-CE1 3.94Å; F34-F39 HydrophobicContact CB-CD2 3.58Å; F34-F39 HydrophobicContact CB-CE2 3.86Å; F34-F39 HydrophobicContact CD2-CD2 4.29Å; F34-F39 AromaticContact CD2-CE2 3.69Å; F34-F39 HydrophobicContact CD2-CE2 3.69Å; F34-F39 HydrophobicContact CG-CD2 4.23Å; F34-F39 HydrophobicContact CG-CE2 4.09Å; D37-F39 PolarHBondContact O-N 2.87Å; F39-T41 HydrophobicContact CE1-CG2 3.55Å; F39-T41 HydrophobicContact CE2-CG2 4.45Å; F39-T41 HydrophobicContact CZ-CG2 3.4Å; F39-L273 HydrophobicContact CD1-CD2 4.3Å; F39-L304 HydrophobicContact CE2-CD1 3.9Å; F39-L304 HydrophobicContact CE2-CD2 4.43Å; F39-A397 CarbonylContact O-C 3.58Å; F39-A397 WeakPolarHBondContact O-CA 3.45Å; F39-A397 WeakPolarHBondContact O-CB 3.19Å; F39-K398 HydrophobicContact CB-CB 4.07Å; F39-K398 PolarHBondContact N-O 3.43Å; F39-K398 PolarHBondContact O-N 3.21Å |
| 40 | L | 95.2 | Very high | 92.8 | Very high | 1 Ų | 1 | 30.6 Ų | 30.6 | 1% | 0.005 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 133.6 | 177.8 | 175.5 | 65.4 | 0 | 0 | 0 | 108.9 | L300 N302 N344 L346 I395 A396 A397 | L40-L300 HydrophobicContact CD2-CB 4.14Å; L40-N302 PolarHBondContact N-ND2 2.82Å; L40-N302 PolarHBondContact O-ND2 3.39Å; L40-N302 PolarHBondContact O-OD1 2.98Å; L40-N344 HydrophobicContact CB-CB 4.48Å; L40-N344 HydrophobicContact CD2-CB 3.5Å; L40-N344 HydrophobicContact CG-CB 3.58Å; L40-N344 PolarHBondContact O-ND2 3.33Å; L40-N344 VanDerWaalsContact O-ND2 3.13Å; L40-L346 HydrophobicContact CD1-CB 4.17Å; L40-L346 HydrophobicContact CD1-CD2 4.27Å; L40-L346 HydrophobicContact CD2-CB 3.76Å; L40-I395 HydrophobicContact CD1-CD1 3.98Å; L40-I395 HydrophobicContact CD1-CG2 3.45Å; L40-I395 VanDerWaalsContact CD1-CG2 3.45Å; L40-A396 WeakPolarHBondContact CA-O 3.4Å; L40-A397 HydrophobicContact CD1-CB 3.73Å |
| 41 | T | 97 | Very high | 93 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.4 | 149.7 | 176.1 | -172.8 | 0 | 0 | 0 | 0 | 112.5 | F26 L27 F39 P43 Q342 A396 | F26-T41 HydrophobicContact CE1-CG2 4Å; F26-T41 VanDerWaalsContact CE1-OG1 3.28Å; F26-T41 WeakPolarHBondContact CE1-OG1 3.19Å; L27-T41 HydrophobicContact CD2-CG2 3.68Å; F39-T41 HydrophobicContact CE1-CG2 3.55Å; F39-T41 HydrophobicContact CE2-CG2 4.45Å; F39-T41 HydrophobicContact CZ-CG2 3.4Å; T41-P43 HydrophobicContact CG2-CG 4.33Å; T41-P43 WeakPolarHBondContact O-CD 3.38Å; T41-Q342 PolarHBondContact OG1-OE1 2.83Å; T41-A396 PolarHBondContact N-O 3.12Å; T41-A396 PolarHBondContact O-N 3.36Å; T41-A396 VanDerWaalsContact O-N 3.1Å |
| 42 | C | 97.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.163 | C | C | . | . | trans | -106.6 | 101.2 | 164.1 | -179.4 | 0 | 0 | 0 | 0 | 110.9 | L44 G45 F192 Q342 N344 I394 I395 | C42-L44 VanDerWaalsContact C-N 3.28Å; C42-L44 PolarHBondContact O-N 3.06Å; C42-G45 PolarHBondContact O-N 3.1Å; C42-G45 VanDerWaalsContact O-N 3.14Å; C42-G45 PolarHBondContact SG-N 3.5Å; C42-G45 VanDerWaalsContact SG-N 3.44Å; C42-F192 HydrophobicContact CB-CB 3.66Å; C42-F192 HydrophobicContact CB-CD1 4.23Å; C42-F192 HydrophobicContact CB-CD2 3.44Å; C42-F192 VanDerWaalsContact CB-CD2 3.44Å; C42-F192 HydrophobicContact CB-CE2 4.12Å; C42-F192 HydrophobicContact CB-CG 3.48Å; C42-F192 VanDerWaalsContact CB-CG 3.48Å; C42-F192 WeakPolarHBondContact SG-CD2 3.37Å; C42-F192 VanDerWaalsContact SG-CE2 3.59Å; C42-Q342 PolarHBondContact O-NE2 2.91Å; C42-N344 PolarHBondContact N-OD1 3.21Å; C42-I394 WeakPolarHBondContact CA-O 3.3Å; C42-I394 PolarHBondContact SG-O 2.69Å; C42-I395 HydrophobicContact CB-CD1 3.97Å | ||
| 43 | P | 97.4 | Very high | 93.7 | Very high | 1 Ų | 1 | 24.3 Ų | 24.3 | 1% | 0.006 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -60 | -35.8 | 179.8 | -27.2 | 37.8 | 0 | 0 | 0 | 113.4 | F22 T23 F26 L27 T41 G45 I46 L47 | F22-P43 WeakPolarHBondContact CE1-O 3.45Å; T23-P43 HydrophobicContact CG2-CB 3.67Å; T23-P43 HydrophobicContact CG2-CG 3.78Å; F26-P43 HydrophobicContact CD1-CB 3.82Å; F26-P43 HydrophobicContact CD1-CG 3.96Å; F26-P43 HydrophobicContact CE1-CB 4.43Å; F26-P43 HydrophobicContact CE1-CG 4.35Å; L27-P43 HydrophobicContact CD1-CG 4.29Å; L27-P43 HydrophobicContact CD2-CG 3.81Å; L27-P43 HydrophobicContact CG-CG 3.9Å; T41-P43 HydrophobicContact CG2-CG 4.33Å; T41-P43 WeakPolarHBondContact O-CD 3.38Å; P43-G45 VanDerWaalsContact C-N 3.3Å; P43-G45 PolarHBondContact O-N 3.29Å; P43-I46 PolarHBondContact O-N 2.92Å; P43-I46 VanDerWaalsContact O-N 3.15Å; P43-L47 PolarHBondContact O-N 3.35Å |
| 44 | L | 97 | Very high | 94.2 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -64.7 | -32.9 | 177.9 | -70.2 | -176.7 | 0 | 0 | 0 | 112.9 | H19 C42 I46 L47 F48 L96 L100 I117 L390 M392 I394 | H19-L44 HydrophobicContact CB-CD2 4Å; C42-L44 VanDerWaalsContact C-N 3.28Å; C42-L44 PolarHBondContact O-N 3.06Å; L44-I46 VanDerWaalsContact C-N 3.26Å; L44-I46 PolarHBondContact O-N 3.01Å; L44-L47 WeakPolarHBondContact O-CB 3.49Å; L44-L47 PolarHBondContact O-N 2.67Å; L44-F48 WeakPolarHBondContact O-CB 3.45Å; L44-F48 VanDerWaalsContact O-CD1 3.29Å; L44-F48 WeakPolarHBondContact O-CD1 3.1Å; L44-F48 VanDerWaalsContact O-CG 3.27Å; L44-F48 WeakPolarHBondContact O-CG 3.39Å; L44-F48 PolarHBondContact O-N 3.43Å; L44-L96 HydrophobicContact CD2-CD1 4.24Å; L44-L100 HydrophobicContact CD1-CD1 3.75Å; L44-I117 HydrophobicContact CB-CD1 4.38Å; L44-L390 HydrophobicContact CD1-CD1 4.19Å; L44-M392 HydrophobicContact CD1-CE 4.36Å; L44-M392 HydrophobicContact CD2-CE 3.99Å; L44-M392 HydrophobicContact CG-CE 4.07Å; L44-I394 HydrophobicContact CD1-CG2 4.18Å |
| 45 | G | 97.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -62 | -35.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | C42 P43 F48 T49 N190 | C42-G45 PolarHBondContact O-N 3.1Å; C42-G45 VanDerWaalsContact O-N 3.14Å; C42-G45 PolarHBondContact SG-N 3.5Å; C42-G45 VanDerWaalsContact SG-N 3.44Å; P43-G45 VanDerWaalsContact C-N 3.3Å; P43-G45 PolarHBondContact O-N 3.29Å; G45-F48 PolarHBondContact O-N 3.42Å; G45-T49 PolarHBondContact O-N 2.92Å; G45-T49 PolarHBondContact O-OG1 3.02Å; G45-N190 WeakPolarHBondContact CA-ND2 3.32Å; G45-N190 WeakPolarHBondContact CA-OD1 3.45Å; G45-N190 PolarHBondContact O-ND2 2.86Å |
| 46 | I | 98.5 | Very high | 96.1 | Very high | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -73.1 | -42.3 | 176.7 | -47.5 | -47.8 | 0 | 0 | 0 | 110.8 | F22 F26 P43 L44 F48 T49 L50 L306 L310 F340 Q342 | F22-I46 HydrophobicContact CE1-CB 4.16Å; F22-I46 HydrophobicContact CE1-CG2 4.45Å; F22-I46 HydrophobicContact CZ-CB 4.12Å; F22-I46 HydrophobicContact CZ-CG2 3.9Å; F26-I46 HydrophobicContact CD2-CG2 4.27Å; F26-I46 HydrophobicContact CE1-CG1 4.14Å; F26-I46 HydrophobicContact CE2-CB 4.31Å; F26-I46 HydrophobicContact CE2-CG1 3.86Å; F26-I46 HydrophobicContact CE2-CG2 4.02Å; F26-I46 HydrophobicContact CZ-CG1 3.65Å; P43-I46 PolarHBondContact O-N 2.92Å; P43-I46 VanDerWaalsContact O-N 3.15Å; L44-I46 VanDerWaalsContact C-N 3.26Å; L44-I46 PolarHBondContact O-N 3.01Å; I46-F48 VanDerWaalsContact C-N 3.25Å; I46-F48 PolarHBondContact O-N 3.33Å; I46-T49 PolarHBondContact O-N 3.3Å; I46-L50 HydrophobicContact CG2-CD1 4.21Å; I46-L50 WeakPolarHBondContact O-CB 3.33Å; I46-L50 WeakPolarHBondContact O-CG 3.26Å; I46-L50 PolarHBondContact O-N 3.15Å; I46-L306 HydrophobicContact CD1-CD1 3.19Å; I46-L306 HydrophobicContact CG1-CD1 3.86Å; I46-L306 HydrophobicContact CG2-CD1 4.44Å; I46-L310 HydrophobicContact CG2-CD2 3.96Å; I46-F340 HydrophobicContact CD1-CE1 4.09Å; I46-F340 HydrophobicContact CG2-CE1 3.93Å; I46-F340 HydrophobicContact CG2-CZ 3.96Å; I46-Q342 HydrophobicContact CD1-CB 3.62Å; I46-Q342 VanDerWaalsContact CD1-CD 3.45Å; I46-Q342 HydrophobicContact CD1-CG 3.96Å |
| 47 | L | 98.3 | Very high | 97 | Very high | 0 Ų | 0 | 9.3 Ų | 9.3 | 0% | 0 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -57 | -43.1 | 173.2 | -175.7 | 150.2 | 0 | 0 | 0 | 110.8 | H19 F22 P43 L44 G51 I71 M89 L92 L96 | H19-L47 HydrophobicContact CB-CD1 3.77Å; F22-L47 HydrophobicContact CB-CD1 3.97Å; F22-L47 HydrophobicContact CD1-CB 3.71Å; F22-L47 HydrophobicContact CD1-CD1 3.85Å; F22-L47 HydrophobicContact CD1-CG 4.25Å; F22-L47 HydrophobicContact CE1-CB 3.71Å; F22-L47 HydrophobicContact CG-CB 4.44Å; F22-L47 HydrophobicContact CG-CD1 4.01Å; F22-L47 HydrophobicContact CZ-CB 4.43Å; P43-L47 PolarHBondContact O-N 3.35Å; L44-L47 WeakPolarHBondContact O-CB 3.49Å; L44-L47 PolarHBondContact O-N 2.67Å; L47-G51 WeakPolarHBondContact O-CA 3.45Å; L47-G51 PolarHBondContact O-N 2.88Å; L47-I71 HydrophobicContact CD1-CG2 4.37Å; L47-M89 HydrophobicContact CD2-CE 3.59Å; L47-L92 HydrophobicContact CD2-CD2 4.43Å; L47-L96 HydrophobicContact CD2-CD1 4.45Å |
| 48 | F | 98.1 | Very high | 97.4 | Very high | 1 Ų | 1 | 3.3 Ų | 3.3 | 0% | 0.004 | 2% | 0.02 | C | C | . | . | H | α-helix | trans | -63.7 | -47.7 | 179 | -79 | 11.3 | 0 | 0 | 0 | 111.7 | L44 G45 I46 G51 I52 Y93 L96 N97 I117 | L44-F48 WeakPolarHBondContact O-CB 3.45Å; L44-F48 VanDerWaalsContact O-CD1 3.29Å; L44-F48 WeakPolarHBondContact O-CD1 3.1Å; L44-F48 VanDerWaalsContact O-CG 3.27Å; L44-F48 WeakPolarHBondContact O-CG 3.39Å; L44-F48 PolarHBondContact O-N 3.43Å; G45-F48 PolarHBondContact O-N 3.42Å; I46-F48 VanDerWaalsContact C-N 3.25Å; I46-F48 PolarHBondContact O-N 3.33Å; F48-G51 CarbonylContact O-C 3.58Å; F48-G51 PolarHBondContact O-N 3.09Å; F48-I52 VanDerWaalsContact O-CG1 3.28Å; F48-I52 WeakPolarHBondContact O-CG1 3.22Å; F48-I52 PolarHBondContact O-N 3.33Å; F48-Y93 HydrophobicContact CB-CD2 4.05Å; F48-Y93 HydrophobicContact CB-CE2 3.72Å; F48-Y93 AromaticContact CD1-CD2 3.79Å; F48-Y93 HydrophobicContact CD1-CD2 3.79Å; F48-Y93 HydrophobicContact CD1-CE2 4.11Å; F48-Y93 HydrophobicContact CD2-CD2 4.25Å; F48-Y93 AromaticContact CD2-CE2 3.76Å; F48-Y93 HydrophobicContact CD2-CE2 3.76Å; F48-Y93 HydrophobicContact CE1-CD2 4.31Å; F48-Y93 HydrophobicContact CE2-CE2 4.41Å; F48-Y93 AromaticContact CG-CD2 3.76Å; F48-Y93 HydrophobicContact CG-CD2 3.76Å; F48-Y93 AromaticContact CG-CE2 3.59Å; F48-Y93 HydrophobicContact CG-CE2 3.59Å; F48-L96 HydrophobicContact CE1-CB 3.71Å; F48-L96 HydrophobicContact CE1-CD1 3.98Å; F48-L96 HydrophobicContact CZ-CB 3.64Å; F48-N97 HydrophobicContact CE2-CB 3.99Å; F48-N97 HydrophobicContact CZ-CB 4.07Å; F48-I117 HydrophobicContact CD2-CB 4.16Å; F48-I117 HydrophobicContact CD2-CD1 4.19Å; F48-I117 HydrophobicContact CD2-CG2 3.77Å; F48-I117 HydrophobicContact CE2-CB 4.35Å; F48-I117 HydrophobicContact CE2-CD1 3.86Å; F48-I117 HydrophobicContact CE2-CG2 4.39Å |
| 49 | T | 98.7 | Very high | 97.6 | Very high | 1 Ų | 1 | 1.3 Ų | 1.3 | 1% | 0.006 | 1% | 0.009 | C | C | . | . | H | α-helix | trans | -63.9 | -43.4 | 178.8 | -61 | 0 | 0 | 0 | 0 | 112.5 | G45 I46 G51 I52 L53 T119 L188 F340 | G45-T49 PolarHBondContact O-N 2.92Å; G45-T49 PolarHBondContact O-OG1 3.02Å; I46-T49 PolarHBondContact O-N 3.3Å; T49-G51 VanDerWaalsContact C-N 3.32Å; T49-I52 PolarHBondContact O-N 2.75Å; T49-L53 PolarHBondContact O-N 2.98Å; T49-T119 HydrophobicContact CG2-CG2 3.79Å; T49-T119 VanDerWaalsContact OG1-CG2 3.25Å; T49-T119 WeakPolarHBondContact OG1-CG2 3.09Å; T49-T119 PolarHBondContact OG1-OG1 2.95Å; T49-L188 HydrophobicContact CG2-CB 3.99Å; T49-L188 HydrophobicContact CG2-CD1 4.03Å; T49-L188 HydrophobicContact CG2-CD2 4.34Å; T49-L188 HydrophobicContact CG2-CG 4.36Å; T49-F340 HydrophobicContact CG2-CD2 4.47Å; T49-F340 HydrophobicContact CG2-CE1 4.01Å; T49-F340 HydrophobicContact CG2-CE2 3.57Å; T49-F340 HydrophobicContact CG2-CZ 3.31Å |
| 50 | L | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 3.9 Ų | 3.9 | 0% | 0 | 2% | 0.022 | C | C | . | . | H | α-helix | trans | -65.2 | -39 | 173.1 | -72.3 | 173.4 | 0 | 0 | 0 | 112 | F22 I46 I52 L53 L54 I67 I71 L310 I315 L318 F340 | F22-L50 HydrophobicContact CE2-CD1 3.84Å; F22-L50 HydrophobicContact CZ-CD1 3.93Å; I46-L50 HydrophobicContact CG2-CD1 4.21Å; I46-L50 WeakPolarHBondContact O-CB 3.33Å; I46-L50 WeakPolarHBondContact O-CG 3.26Å; I46-L50 PolarHBondContact O-N 3.15Å; L50-I52 VanDerWaalsContact C-N 3.31Å; L50-I52 PolarHBondContact O-N 3.27Å; L50-L53 PolarHBondContact O-N 3.18Å; L50-L54 PolarHBondContact O-N 3.36Å; L50-I67 HydrophobicContact CB-CG2 3.92Å; L50-I67 HydrophobicContact CD2-CD1 4.45Å; L50-I67 HydrophobicContact CD2-CG1 4.28Å; L50-I67 HydrophobicContact CD2-CG2 4.35Å; L50-I71 HydrophobicContact CB-CD1 4.05Å; L50-L310 HydrophobicContact CD1-CD2 4.03Å; L50-L310 HydrophobicContact CD2-CD1 4.48Å; L50-I315 HydrophobicContact CD1-CD1 3.63Å; L50-I315 HydrophobicContact CD2-CD1 3.78Å; L50-I315 HydrophobicContact CG-CD1 4.37Å; L50-L318 HydrophobicContact CD2-CD2 4.24Å; L50-F340 HydrophobicContact CD2-CE2 3.75Å; L50-F340 HydrophobicContact CD2-CZ 4.32Å; L50-F340 HydrophobicContact CG-CE2 4.02Å; L50-F340 HydrophobicContact CG-CZ 4.09Å |
| 51 | G | 98.1 | Very high | 97.7 | Very high | 0 Ų | 0 | 5.4 Ų | 5.4 | 0% | 0 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -65.3 | -34.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113 | L47 F48 T49 G55 M89 | L47-G51 WeakPolarHBondContact O-CA 3.45Å; L47-G51 PolarHBondContact O-N 2.88Å; F48-G51 CarbonylContact O-C 3.58Å; F48-G51 PolarHBondContact O-N 3.09Å; T49-G51 VanDerWaalsContact C-N 3.32Å; G51-G55 WeakPolarHBondContact O-CA 3.44Å; G51-G55 PolarHBondContact O-N 3.05Å; G51-M89 VanDerWaalsContact O-CG 3.32Å; G51-M89 WeakPolarHBondContact O-CG 3.4Å |
| 52 | I | 98.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -62.1 | -49.9 | 171.9 | -74.6 | 163.6 | 0 | 0 | 0 | 110.5 | F48 T49 L50 L54 S56 Y93 T119 L121 I137 F141 | F48-I52 VanDerWaalsContact O-CG1 3.28Å; F48-I52 WeakPolarHBondContact O-CG1 3.22Å; F48-I52 PolarHBondContact O-N 3.33Å; T49-I52 PolarHBondContact O-N 2.75Å; L50-I52 VanDerWaalsContact C-N 3.31Å; L50-I52 PolarHBondContact O-N 3.27Å; I52-L54 PolarHBondContact O-N 2.85Å; I52-S56 WeakPolarHBondContact O-CB 3.48Å; I52-S56 PolarHBondContact O-N 2.85Å; I52-S56 PolarHBondContact O-OG 3.35Å; I52-Y93 HydrophobicContact CD1-CE2 4.28Å; I52-Y93 HydrophobicContact CG1-CE2 4.23Å; I52-T119 HydrophobicContact CD1-CG2 3.78Å; I52-L121 HydrophobicContact CG2-CD1 4.19Å; I52-L121 HydrophobicContact CG2-CD2 3.9Å; I52-I137 HydrophobicContact CG2-CD1 3.16Å; I52-F141 HydrophobicContact CB-CD1 4.33Å; I52-F141 HydrophobicContact CB-CG 4.46Å; I52-F141 HydrophobicContact CD1-CB 4.46Å; I52-F141 HydrophobicContact CG1-CB 3.89Å; I52-F141 HydrophobicContact CG1-CD1 3.46Å; I52-F141 VanDerWaalsContact CG1-CD1 3.46Å; I52-F141 HydrophobicContact CG1-CE1 4.18Å; I52-F141 HydrophobicContact CG1-CG 3.71Å |
| 53 | L | 98.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -60.4 | -46.5 | 179.8 | -65 | 177.3 | 0 | 0 | 0 | 111.8 | T49 L50 G58 A59 I67 L121 M186 L188 L318 I329 | T49-L53 PolarHBondContact O-N 2.98Å; L50-L53 PolarHBondContact O-N 3.18Å; L53-G58 WeakPolarHBondContact O-CA 3.08Å; L53-G58 PolarHBondContact O-N 3.12Å; L53-A59 HydrophobicContact CB-CB 4.18Å; L53-A59 PolarHBondContact O-N 2.93Å; L53-I67 HydrophobicContact CB-CD1 4.26Å; L53-I67 HydrophobicContact CD1-CD1 4.35Å; L53-L121 HydrophobicContact CD2-CD2 4.18Å; L53-M186 HydrophobicContact CD2-CE 3.84Å; L53-L188 HydrophobicContact CD1-CD1 3.51Å; L53-L188 HydrophobicContact CD2-CD1 4.22Å; L53-L188 HydrophobicContact CD2-CD2 4.48Å; L53-L188 HydrophobicContact CG-CD1 4.14Å; L53-L318 HydrophobicContact CD1-CD1 3.91Å; L53-L318 HydrophobicContact CD1-CD2 3.89Å; L53-I329 HydrophobicContact CD2-CD1 4.15Å |
| 54 | L | 98.1 | Very high | 97.8 | Very high | 1 Ų | 1 | 13 Ų | 13 | 1% | 0.005 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -71 | -53.5 | -179.2 | 174 | 58.9 | 0 | 0 | 0 | 111.2 | L50 I52 S56 G57 I67 L73 W80 Q86 | L50-L54 PolarHBondContact O-N 3.36Å; I52-L54 PolarHBondContact O-N 2.85Å; L54-S56 PolarHBondContact O-N 2.89Å; L54-G57 PolarHBondContact O-N 3.27Å; L54-G57 VanDerWaalsContact O-N 3.07Å; L54-I67 HydrophobicContact CB-CG2 3.91Å; L54-I67 HydrophobicContact CD2-CG2 4.16Å; L54-L73 HydrophobicContact CD2-CD1 3.53Å; L54-W80 HydrophobicContact CD1-CH2 3.88Å; L54-W80 HydrophobicContact CD1-CZ2 4.46Å; L54-Q86 WeakPolarHBondContact O-CG 3.19Å |
| 55 | G | 97.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -69.1 | -31.6 | -171.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | G51 G57 K90 | G51-G55 WeakPolarHBondContact O-CA 3.44Å; G51-G55 PolarHBondContact O-N 3.05Å; G55-G57 PolarHBondContact O-N 2.82Å; G55-K90 WeakPolarHBondContact O-CE 3.37Å |
| 56 | S | 97.4 | Very high | 97.8 | Very high | 10 Ų | 10 | 18.5 Ų | 18.5 | 7% | 0.07 | 10% | 0.096 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77 | -1.2 | 173.1 | -46.4 | 0 | 0 | 0 | 0 | 113.2 | I52 L54 G58 S136 F141 | I52-S56 WeakPolarHBondContact O-CB 3.48Å; I52-S56 PolarHBondContact O-N 2.85Å; I52-S56 PolarHBondContact O-OG 3.35Å; L54-S56 PolarHBondContact O-N 2.89Å; S56-G58 PolarHBondContact O-N 3.47Å; S56-S136 WeakPolarHBondContact CA-OG 3.39Å; S56-F141 WeakPolarHBondContact OG-CD2 3.45Å; S56-F141 WeakPolarHBondContact OG-CE2 3.25Å |
| 57 | G | 96.5 | Very high | 97.8 | Very high | 7 Ų | 7 | 18.5 Ų | 18.5 | 7% | 0.072 | 10% | 0.096 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 71.9 | 10.9 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114 | L54 G55 Q60 G328 | L54-G57 PolarHBondContact O-N 3.27Å; L54-G57 VanDerWaalsContact O-N 3.07Å; G55-G57 PolarHBondContact O-N 2.82Å; G57-Q60 PolarHBondContact O-NE2 3.29Å; G57-G328 WeakPolarHBondContact O-CA 3.33Å |
| 58 | G | 97.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 10% | 0.096 | C | C | . | . | trans | -63.5 | -46.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | L53 S56 L326 G328 | L53-G58 WeakPolarHBondContact O-CA 3.08Å; L53-G58 PolarHBondContact O-N 3.12Å; S56-G58 PolarHBondContact O-N 3.47Å; G58-L326 CarbonylContact O-C 3.43Å; G58-L326 VanDerWaalsContact O-CA 3.3Å; G58-L326 WeakPolarHBondContact O-CA 3.18Å; G58-G328 PolarHBondContact O-N 2.85Å | ||
| 59 | A | 98.2 | Very high | 97.5 | Very high | 2 Ų | 2 | 25.2 Ų | 25.2 | 2% | 0.017 | 13% | 0.126 | C | C | . | . | S | Bend | trans | -89.7 | 120.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | L53 T63 I67 L326 | L53-A59 HydrophobicContact CB-CB 4.18Å; L53-A59 PolarHBondContact O-N 2.93Å; A59-T63 HydrophobicContact CB-CG2 4.14Å; A59-I67 HydrophobicContact CB-CD1 3.68Å; A59-L326 HydrophobicContact CB-CD2 4.02Å |
| 60 | Q | 96.7 | Very high | 97.4 | Very high | 57 Ų | 57 | 25.7 Ų | 25.7 | 27% | 0.266 | 13% | 0.13 | S | C | . | . | trans | -115.6 | 170.2 | -172.9 | -68.7 | -69.3 | -19 | 0 | 0 | 112.1 | G57 K62 T63 G64 N325 | G57-Q60 PolarHBondContact O-NE2 3.29Å; Q60-K62 PolarHBondContact O-N 2.92Å; Q60-T63 WeakPolarHBondContact O-CB 3.32Å; Q60-T63 PolarHBondContact O-N 3.42Å; Q60-T63 VanDerWaalsContact O-N 3.15Å; Q60-G64 PolarHBondContact O-N 3.34Å; Q60-N325 PolarHBondContact N-O 3Å | ||
| 61 | G | 96 | Very high | 97.2 | Very high | 34 Ų | 34 | 25.7 Ų | 25.7 | 35% | 0.351 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | 51.8 | -131.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | T63 H65 | G61-T63 VanDerWaalsContact C-N 3.34Å; G61-H65 PolarHBondContact O-N 3.33Å; G61-H65 VanDerWaalsContact O-N 3.09Å |
| 62 | K | 96.8 | Very high | 96.9 | Very high | 158 Ų | 158 | 30 Ų | 30 | 69% | 0.687 | 15% | 0.146 | S | C | * | . | H | α-helix | trans | -65.5 | -35 | 179.5 | -71 | -177.6 | -178.6 | 174.3 | 0 | 112.7 | Q60 H65 Q66 D317 | Q60-K62 PolarHBondContact O-N 2.92Å; K62-H65 PolarHBondContact O-N 2.98Å; K62-Q66 WeakPolarHBondContact O-CG 3.49Å; K62-Q66 PolarHBondContact O-N 2.88Å; K62-D317 VanDerWaalsContact CB-OD2 3.26Å; K62-D317 WeakPolarHBondContact CB-OD2 3.4Å |
| 63 | T | 98.5 | Very high | 96.5 | Very high | 1 Ų | 1 | 30.1 Ų | 30.1 | 1% | 0.006 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -61.5 | -50.9 | 177.1 | -52.7 | 0 | 0 | 0 | 0 | 111 | A59 Q60 G61 H65 Q66 I67 D317 L318 N325 L326 | A59-T63 HydrophobicContact CB-CG2 4.14Å; Q60-T63 WeakPolarHBondContact O-CB 3.32Å; Q60-T63 PolarHBondContact O-N 3.42Å; Q60-T63 VanDerWaalsContact O-N 3.15Å; G61-T63 VanDerWaalsContact C-N 3.34Å; T63-H65 VanDerWaalsContact C-N 3.33Å; T63-H65 PolarHBondContact O-N 2.83Å; T63-Q66 PolarHBondContact O-N 3.4Å; T63-I67 WeakPolarHBondContact O-CG1 3.32Å; T63-I67 PolarHBondContact O-N 3.45Å; T63-I67 VanDerWaalsContact O-N 3.16Å; T63-D317 WeakPolarHBondContact OG1-CB 3.13Å; T63-L318 HydrophobicContact CG2-CB 3.92Å; T63-L318 HydrophobicContact CG2-CD1 3.93Å; T63-N325 PolarHBondContact OG1-N 2.84Å; T63-L326 HydrophobicContact CG2-CD2 4.47Å |
| 64 | G | 97.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -59.9 | -42 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q60 Q66 I67 G68 W80 | Q60-G64 PolarHBondContact O-N 3.34Å; G64-Q66 PolarHBondContact O-N 3.27Å; G64-I67 PolarHBondContact O-N 2.9Å; G64-G68 PolarHBondContact O-N 2.74Å; G64-W80 WeakPolarHBondContact O-CH2 3.15Å |
| 65 | H | 96.8 | Very high | 95 | Very high | 71 Ų | 71 | 38.6 Ų | 38.6 | 33% | 0.329 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -63.3 | -42.3 | 176.9 | -178.6 | -165.3 | 0 | 0 | 0 | 112.6 | G61 K62 T63 I67 G68 K69 W80 | G61-H65 PolarHBondContact O-N 3.33Å; G61-H65 VanDerWaalsContact O-N 3.09Å; K62-H65 PolarHBondContact O-N 2.98Å; T63-H65 VanDerWaalsContact C-N 3.33Å; T63-H65 PolarHBondContact O-N 2.83Å; H65-I67 VanDerWaalsContact C-N 3.32Å; H65-I67 PolarHBondContact O-N 3Å; H65-G68 PolarHBondContact O-N 2.74Å; H65-K69 WeakPolarHBondContact O-CB 3.3Å; H65-K69 PolarHBondContact O-N 2.96Å; H65-W80 HydrophobicContact CB-CD2 3.82Å; H65-W80 HydrophobicContact CB-CE3 4.14Å; H65-W80 HydrophobicContact CB-CG 4.24Å; H65-W80 HydrophobicContact CB-CH2 4.42Å; H65-W80 HydrophobicContact CB-CZ2 4.13Å; H65-W80 HydrophobicContact CB-CZ3 4.44Å; H65-W80 AromaticContact CD2-CE3 3.75Å; H65-W80 AromaticContact CG-CD2 3.93Å |
| 66 | Q | 98 | Very high | 94 | Very high | 45 Ų | 45 | 40 Ų | 40 | 21% | 0.21 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -59.5 | -43.4 | 175.7 | -76 | 175.9 | 2.1 | 0 | 0 | 111.5 | K62 T63 G64 A70 G314 D317 | K62-Q66 WeakPolarHBondContact O-CG 3.49Å; K62-Q66 PolarHBondContact O-N 2.88Å; T63-Q66 PolarHBondContact O-N 3.4Å; G64-Q66 PolarHBondContact O-N 3.27Å; Q66-A70 WeakPolarHBondContact O-CB 3.35Å; Q66-A70 PolarHBondContact O-N 2.78Å; Q66-G314 WeakPolarHBondContact CG-O 3.28Å; Q66-G314 PolarHBondContact OE1-O 3.33Å; Q66-D317 PolarHBondContact NE2-OD1 2.84Å; Q66-D317 PolarHBondContact NE2-OD2 3.28Å |
| 67 | I | 98.5 | Very high | 92.7 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -62.9 | -51.5 | 176.1 | -63.9 | 172.2 | 0 | 0 | 0 | 110.7 | L50 L53 L54 A59 T63 G64 H65 K69 A70 I71 I315 L318 | L50-I67 HydrophobicContact CB-CG2 3.92Å; L50-I67 HydrophobicContact CD2-CD1 4.45Å; L50-I67 HydrophobicContact CD2-CG1 4.28Å; L50-I67 HydrophobicContact CD2-CG2 4.35Å; L53-I67 HydrophobicContact CB-CD1 4.26Å; L53-I67 HydrophobicContact CD1-CD1 4.35Å; L54-I67 HydrophobicContact CB-CG2 3.91Å; L54-I67 HydrophobicContact CD2-CG2 4.16Å; A59-I67 HydrophobicContact CB-CD1 3.68Å; T63-I67 WeakPolarHBondContact O-CG1 3.32Å; T63-I67 PolarHBondContact O-N 3.45Å; T63-I67 VanDerWaalsContact O-N 3.16Å; G64-I67 PolarHBondContact O-N 2.9Å; H65-I67 VanDerWaalsContact C-N 3.32Å; H65-I67 PolarHBondContact O-N 3Å; I67-K69 VanDerWaalsContact C-N 3.28Å; I67-K69 PolarHBondContact O-N 3.02Å; I67-A70 PolarHBondContact O-N 3.16Å; I67-A70 VanDerWaalsContact O-N 3.13Å; I67-I71 HydrophobicContact CG2-CD1 3.79Å; I67-I71 HydrophobicContact CG2-CG1 4.45Å; I67-I71 WeakPolarHBondContact O-CG1 3.26Å; I67-I71 PolarHBondContact O-N 3.03Å; I67-I315 HydrophobicContact CG1-CD1 4.38Å; I67-I315 HydrophobicContact CG1-CG2 3.99Å; I67-L318 HydrophobicContact CD1-CD2 4.31Å |
| 68 | G | 96.2 | Very high | 91.4 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -59.7 | -38.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | G64 H65 R72 L73 | G64-G68 PolarHBondContact O-N 2.74Å; H65-G68 PolarHBondContact O-N 2.74Å; G68-R72 PolarHBondContact O-N 3.03Å; G68-L73 PolarHBondContact O-N 3.13Å; G68-L73 VanDerWaalsContact O-N 3.08Å |
| 69 | K | 94.7 | Very high | 90.4 | Very high | 143 Ų | 143 | 53.1 Ų | 53.1 | 62% | 0.622 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -67.6 | -41.3 | 175.4 | -174.6 | 177.1 | -179.5 | 178.2 | 0 | 112.3 | H65 I67 R72 | H65-K69 WeakPolarHBondContact O-CB 3.3Å; H65-K69 PolarHBondContact O-N 2.96Å; I67-K69 VanDerWaalsContact C-N 3.28Å; I67-K69 PolarHBondContact O-N 3.02Å; K69-R72 PolarHBondContact O-N 2.83Å; K69-R72 VanDerWaalsContact O-N 3.1Å |
| 70 | A | 95.7 | Very high | 89.7 | Confident | 11 Ų | 11 | 56.4 Ų | 56.4 | 9% | 0.091 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -65.1 | -39.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q66 I67 R72 I315 | Q66-A70 WeakPolarHBondContact O-CB 3.35Å; Q66-A70 PolarHBondContact O-N 2.78Å; I67-A70 PolarHBondContact O-N 3.16Å; I67-A70 VanDerWaalsContact O-N 3.13Å; A70-R72 PolarHBondContact O-N 3.03Å; A70-I315 HydrophobicContact CB-CD1 3.69Å; A70-I315 HydrophobicContact CB-CG1 3.66Å |
| 71 | I | 95.1 | Very high | 89.4 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -69.6 | -19.4 | 173.3 | -64 | 174.3 | 0 | 0 | 0 | 111.9 | S18 F22 L47 L50 I67 L73 M89 | S18-I71 WeakPolarHBondContact CB-O 3.19Å; F22-I71 HydrophobicContact CD2-CG1 4.15Å; F22-I71 HydrophobicContact CE2-CG1 4.41Å; L47-I71 HydrophobicContact CD1-CG2 4.37Å; L50-I71 HydrophobicContact CB-CD1 4.05Å; I67-I71 HydrophobicContact CG2-CD1 3.79Å; I67-I71 HydrophobicContact CG2-CG1 4.45Å; I67-I71 WeakPolarHBondContact O-CG1 3.26Å; I67-I71 PolarHBondContact O-N 3.03Å; I71-L73 HydrophobicContact CB-CG 4.25Å; I71-L73 HydrophobicContact CG2-CD2 3.65Å; I71-L73 HydrophobicContact CG2-CG 3.94Å; I71-M89 HydrophobicContact CD1-SD 3.8Å; I71-M89 HydrophobicContact CG2-SD 4.29Å |
| 72 | R | 90.8 | Very high | 89.2 | Confident | 89 Ų | 89 | 58.1 Ų | 58.1 | 34% | 0.336 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.8 | 49.8 | -175.3 | -58.2 | 171.7 | 162.1 | -140.3 | -7.5 | 111.8 | D11 S18 A21 G68 K69 A70 | D11-R72 IonicContact OD1-NH1 2.78Å; D11-R72 IonicContact OD2-CZ 2.89Å; D11-R72 IonicContact OD2-NH1 3.21Å; D11-R72 PolarHBondContact OD2-NH1 3.08Å; D11-R72 IonicContact OD2-NH2 3.92Å; D11-R72 PolarHBondContact OD2-NH2 3.06Å; S18-R72 PolarHBondContact OG-O 3.09Å; A21-R72 VanDerWaalsContact CB-CD 3.42Å; G68-R72 PolarHBondContact O-N 3.03Å; K69-R72 PolarHBondContact O-N 2.83Å; K69-R72 VanDerWaalsContact O-N 3.1Å; A70-R72 PolarHBondContact O-N 3.03Å |
| 73 | L | 90.1 | Very high | 89 | Confident | 3 Ų | 3 | 57 Ų | 57 | 2% | 0.016 | 30% | 0.298 | C | S | . | . | trans | -69.3 | 141 | 172 | -63.4 | -179.1 | 0 | 0 | 0 | 110.7 | L54 G68 I71 S75 T76 A85 E88 M89 L92 | L54-L73 HydrophobicContact CD2-CD1 3.53Å; G68-L73 PolarHBondContact O-N 3.13Å; G68-L73 VanDerWaalsContact O-N 3.08Å; I71-L73 HydrophobicContact CB-CG 4.25Å; I71-L73 HydrophobicContact CG2-CD2 3.65Å; I71-L73 HydrophobicContact CG2-CG 3.94Å; L73-S75 VanDerWaalsContact C-N 3.27Å; L73-S75 PolarHBondContact O-N 3.3Å; L73-T76 HydrophobicContact CB-CG2 4.18Å; L73-T76 PolarHBondContact O-N 2.97Å; L73-T76 VanDerWaalsContact O-N 3.1Å; L73-T76 PolarHBondContact O-OG1 3.16Å; L73-A85 HydrophobicContact CD1-CB 4.15Å; L73-E88 HydrophobicContact CD2-CG 4.12Å; L73-M89 HydrophobicContact CD1-CB 4.29Å; L73-M89 HydrophobicContact CD2-SD 4.32Å; L73-L92 HydrophobicContact CD2-CD2 4.38Å | ||
| 74 | K | 84.4 | Confident | 88.7 | Confident | 160 Ų | 160 | 57.9 Ų | 57.9 | 70% | 0.696 | 31% | 0.308 | S | S | * | . | G | 310 helix | trans | -64 | -35.7 | -178.7 | -66.6 | 177.8 | -179.2 | 175.1 | 0 | 111.8 | T76 S77 E88 | K74-T76 PolarHBondContact O-N 3Å; K74-S77 WeakPolarHBondContact O-CB 3.33Å; K74-S77 PolarHBondContact O-N 2.94Å; K74-S77 PolarHBondContact O-OG 3.35Å; K74-E88 PolarHBondContact N-OE1 2.88Å; K74-E88 PolarHBondContact N-OE2 2.83Å |
| 75 | S | 80.9 | Confident | 88.6 | Confident | 20 Ų | 20 | 57.9 Ų | 57.9 | 14% | 0.14 | 31% | 0.308 | C | S | . | . | G | 310 helix | trans | -57.7 | -8.9 | 173.1 | 51.5 | 0 | 0 | 0 | 0 | 115.1 | L73 A85 E88 | L73-S75 VanDerWaalsContact C-N 3.27Å; L73-S75 PolarHBondContact O-N 3.3Å; S75-A85 WeakPolarHBondContact OG-CA 3.39Å; S75-A85 WeakPolarHBondContact OG-CB 3.44Å; S75-E88 WeakPolarHBondContact CB-OE2 3.03Å; S75-E88 PolarHBondContact N-OE2 3.41Å; S75-E88 PolarHBondContact OG-OE2 2.85Å |
| 76 | T | 76.8 | Confident | 88.6 | Confident | 29 Ų | 29 | 56 Ų | 56 | 18% | 0.178 | 30% | 0.299 | C | S | . | . | G | 310 helix | trans | -96.1 | -6.2 | 175.3 | 68.3 | 0 | 0 | 0 | 0 | 114.5 | L73 K74 W80 | L73-T76 HydrophobicContact CB-CG2 4.18Å; L73-T76 PolarHBondContact O-N 2.97Å; L73-T76 VanDerWaalsContact O-N 3.1Å; L73-T76 PolarHBondContact O-OG1 3.16Å; K74-T76 PolarHBondContact O-N 3Å; T76-W80 HydrophobicContact CG2-CE3 3.79Å; T76-W80 HydrophobicContact CG2-CZ3 3.57Å |
| 77 | S | 70.8 | Confident | 88.5 | Confident | 100 Ų | 100 | 57.7 Ų | 57.7 | 70% | 0.699 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -82.4 | -34.4 | -166.1 | 61.3 | 0 | 0 | 0 | 0 | 115.5 | K74 | K74-S77 WeakPolarHBondContact O-CB 3.33Å; K74-S77 PolarHBondContact O-N 2.94Å; K74-S77 PolarHBondContact O-OG 3.35Å |
| 78 | S | 67.7 | Low | 88.3 | Confident | 109 Ų | 109 | 60 Ų | 60 | 76% | 0.762 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -109.8 | -41 | -172.4 | 54.4 | 0 | 0 | 0 | 0 | 113.3 | ||
| 79 | S | 78.4 | Confident | 88.3 | Confident | 84 Ų | 84 | 60 Ų | 60 | 59% | 0.587 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -162.4 | 138.3 | 170.6 | 57.8 | 0 | 0 | 0 | 0 | 107.8 | N81 | S79-N81 PolarHBondContact O-N 3.31Š|
| 80 | W | 83.7 | Confident | 88.4 | Confident | 71 Ų | 71 | 55.2 Ų | 55.2 | 27% | 0.269 | 30% | 0.297 | S | S | . | . | trans | -61.2 | 109.2 | -178.9 | 172.5 | -116.6 | 0 | 0 | 0 | 110.4 | L54 G64 H65 T76 P82 A85 | L54-W80 HydrophobicContact CD1-CH2 3.88Å; L54-W80 HydrophobicContact CD1-CZ2 4.46Å; G64-W80 WeakPolarHBondContact O-CH2 3.15Å; H65-W80 HydrophobicContact CB-CD2 3.82Å; H65-W80 HydrophobicContact CB-CE3 4.14Å; H65-W80 HydrophobicContact CB-CG 4.24Å; H65-W80 HydrophobicContact CB-CH2 4.42Å; H65-W80 HydrophobicContact CB-CZ2 4.13Å; H65-W80 HydrophobicContact CB-CZ3 4.44Å; H65-W80 AromaticContact CD2-CE3 3.75Å; H65-W80 AromaticContact CG-CD2 3.93Å; T76-W80 HydrophobicContact CG2-CE3 3.79Å; T76-W80 HydrophobicContact CG2-CZ3 3.57Å; W80-P82 HydrophobicContact CZ2-CB 3.88Å; W80-A85 HydrophobicContact CH2-CB 3.64Å; W80-A85 HydrophobicContact CZ3-CB 3.57Å | ||
| 81 | N | 89.5 | Confident | 88.5 | Confident | 77 Ų | 77 | 58.2 Ų | 58.2 | 41% | 0.412 | 32% | 0.317 | S | S | . | . | trans | -109.1 | 98 | 172.7 | 177.7 | 0.6 | 0 | 0 | 0 | 108.7 | S79 F83 G84 A85 | S79-N81 PolarHBondContact O-N 3.31Å; N81-F83 PolarHBondContact O-N 3.49Å; N81-F83 PolarHBondContact OD1-N 3.29Å; N81-G84 PolarHBondContact O-N 2.99Å; N81-G84 PolarHBondContact OD1-N 3.46Å; N81-A85 WeakPolarHBondContact O-CB 3.12Å; N81-A85 PolarHBondContact O-N 3.03Å | ||
| 82 | P | 91.6 | Very high | 88.5 | Confident | 50 Ų | 50 | 59.2 Ų | 59.2 | 33% | 0.325 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -62.6 | -40.2 | -175.1 | 23.2 | -32.5 | 0 | 0 | 0 | 112.8 | W80 A85 Q86 | W80-P82 HydrophobicContact CZ2-CB 3.88Å; P82-A85 PolarHBondContact O-N 3Å; P82-Q86 WeakPolarHBondContact O-CB 3.22Å; P82-Q86 VanDerWaalsContact O-CG 3.3Å; P82-Q86 WeakPolarHBondContact O-CG 3.36Å; P82-Q86 PolarHBondContact O-N 3.45Å |
| 83 | F | 92.4 | Very high | 88.9 | Confident | 134 Ų | 134 | 55.1 Ų | 55.1 | 59% | 0.588 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -66.9 | -44.3 | 177.7 | -178.4 | -98.1 | 0 | 0 | 0 | 111.3 | N81 A85 Q86 E87 | N81-F83 PolarHBondContact O-N 3.49Å; N81-F83 PolarHBondContact OD1-N 3.29Å; F83-A85 VanDerWaalsContact C-N 3.3Å; F83-A85 PolarHBondContact O-N 2.99Å; F83-Q86 WeakPolarHBondContact O-CB 3.34Å; F83-Q86 PolarHBondContact O-N 3.34Å; F83-E87 HydrophobicContact CD1-CG 4.4Å; F83-E87 HydrophobicContact CE1-CG 3.92Å; F83-E87 HydrophobicContact CE2-CG 4.24Å; F83-E87 HydrophobicContact CZ-CG 3.83Å; F83-E87 PolarHBondContact O-N 3.47Å |
| 84 | G | 93.7 | Very high | 89.2 | Confident | 20 Ų | 20 | 61.3 Ų | 61.3 | 21% | 0.206 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -60.6 | -39.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | N81 E88 | N81-G84 PolarHBondContact O-N 2.99Å; N81-G84 PolarHBondContact OD1-N 3.46Å; G84-E88 VanDerWaalsContact O-CB 3.24Å; G84-E88 WeakPolarHBondContact O-CB 3.34Å; G84-E88 PolarHBondContact O-N 2.8Å |
| 85 | A | 94.9 | Very high | 89.8 | Confident | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -68.1 | -37.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | L73 S75 W80 N81 P82 F83 M89 | L73-A85 HydrophobicContact CD1-CB 4.15Å; S75-A85 WeakPolarHBondContact OG-CA 3.39Å; S75-A85 WeakPolarHBondContact OG-CB 3.44Å; W80-A85 HydrophobicContact CH2-CB 3.64Å; W80-A85 HydrophobicContact CZ3-CB 3.57Å; N81-A85 WeakPolarHBondContact O-CB 3.12Å; N81-A85 PolarHBondContact O-N 3.03Å; P82-A85 PolarHBondContact O-N 3Å; F83-A85 VanDerWaalsContact C-N 3.3Å; F83-A85 PolarHBondContact O-N 2.99Å; A85-M89 VanDerWaalsContact O-CB 3.26Å; A85-M89 WeakPolarHBondContact O-CB 3.33Å; A85-M89 PolarHBondContact O-N 3.11Å |
| 86 | Q | 96 | Very high | 90.5 | Very high | 30 Ų | 30 | 58.6 Ų | 58.6 | 14% | 0.14 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -60.9 | -52.4 | 174.6 | -80 | 164.3 | 22.9 | 0 | 0 | 111.4 | L54 P82 F83 M89 K90 | L54-Q86 WeakPolarHBondContact O-CG 3.19Å; P82-Q86 WeakPolarHBondContact O-CB 3.22Å; P82-Q86 VanDerWaalsContact O-CG 3.3Å; P82-Q86 WeakPolarHBondContact O-CG 3.36Å; P82-Q86 PolarHBondContact O-N 3.45Å; F83-Q86 WeakPolarHBondContact O-CB 3.34Å; F83-Q86 PolarHBondContact O-N 3.34Å; Q86-M89 PolarHBondContact O-N 3.41Å; Q86-K90 WeakPolarHBondContact O-CG 3.39Å; Q86-K90 PolarHBondContact O-N 2.85Å |
| 87 | E | 95.9 | Very high | 91.4 | Very high | 82 Ų | 82 | 57.9 Ų | 57.9 | 38% | 0.383 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -68.4 | -38.3 | -178.3 | -65.4 | -60.6 | 114.6 | 0 | 0 | 112.3 | F83 M89 K90 S91 | F83-E87 HydrophobicContact CD1-CG 4.4Å; F83-E87 HydrophobicContact CE1-CG 3.92Å; F83-E87 HydrophobicContact CE2-CG 4.24Å; F83-E87 HydrophobicContact CZ-CG 3.83Å; F83-E87 PolarHBondContact O-N 3.47Å; E87-M89 VanDerWaalsContact C-N 3.3Å; E87-M89 PolarHBondContact O-N 3.4Å; E87-K90 PolarHBondContact O-N 3.03Å; E87-K90 WeakPolarHBondContact OE1-CD 3.34Å; E87-K90 WeakPolarHBondContact OE1-CE 3.38Å; E87-K90 IonicContact OE1-NZ 3.2Å; E87-K90 PolarHBondContact OE1-NZ 3.47Å; E87-S91 WeakPolarHBondContact O-CB 3.28Å; E87-S91 PolarHBondContact O-N 3.2Å |
| 88 | E | 95.3 | Very high | 92.5 | Very high | 48 Ų | 48 | 56.5 Ų | 56.5 | 22% | 0.224 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -59.3 | -42.7 | 172.2 | -173.5 | -179.4 | 175.6 | 0 | 0 | 111 | L73 K74 S75 G84 L92 | L73-E88 HydrophobicContact CD2-CG 4.12Å; K74-E88 PolarHBondContact N-OE1 2.88Å; K74-E88 PolarHBondContact N-OE2 2.83Å; S75-E88 WeakPolarHBondContact CB-OE2 3.03Å; S75-E88 PolarHBondContact N-OE2 3.41Å; S75-E88 PolarHBondContact OG-OE2 2.85Å; G84-E88 VanDerWaalsContact O-CB 3.24Å; G84-E88 WeakPolarHBondContact O-CB 3.34Å; G84-E88 PolarHBondContact O-N 2.8Å; E88-L92 WeakPolarHBondContact O-CB 3.44Å; E88-L92 PolarHBondContact O-N 2.86Å |
| 89 | M | 96.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -69.8 | -42.1 | 179.6 | -168.6 | 60.8 | -117.9 | 0 | 0 | 112.3 | L47 G51 I71 L73 A85 Q86 E87 S91 L92 Y93 | L47-M89 HydrophobicContact CD2-CE 3.59Å; G51-M89 VanDerWaalsContact O-CG 3.32Å; G51-M89 WeakPolarHBondContact O-CG 3.4Å; I71-M89 HydrophobicContact CD1-SD 3.8Å; I71-M89 HydrophobicContact CG2-SD 4.29Å; L73-M89 HydrophobicContact CD1-CB 4.29Å; L73-M89 HydrophobicContact CD2-SD 4.32Å; A85-M89 VanDerWaalsContact O-CB 3.26Å; A85-M89 WeakPolarHBondContact O-CB 3.33Å; A85-M89 PolarHBondContact O-N 3.11Å; Q86-M89 PolarHBondContact O-N 3.41Å; E87-M89 VanDerWaalsContact C-N 3.3Å; E87-M89 PolarHBondContact O-N 3.4Å; M89-S91 VanDerWaalsContact C-N 3.34Å; M89-S91 PolarHBondContact O-N 2.89Å; M89-L92 HydrophobicContact CE-CB 4.28Å; M89-L92 HydrophobicContact CE-CD2 4.08Å; M89-L92 HydrophobicContact CE-CG 4.25Å; M89-L92 PolarHBondContact O-N 3.02Å; M89-L92 HydrophobicContact SD-CD2 4.4Å; M89-Y93 WeakPolarHBondContact O-CB 3.05Å; M89-Y93 PolarHBondContact O-N 3.33Å |
| 90 | K | 96.9 | Very high | 94.7 | Very high | 42 Ų | 42 | 48.6 Ų | 48.6 | 18% | 0.183 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -58.1 | -47 | 174.1 | -72.2 | 178.3 | -171.1 | 177.5 | 0 | 111.3 | G55 Q86 E87 Y93 K94 D140 F141 | G55-K90 WeakPolarHBondContact O-CE 3.37Å; Q86-K90 WeakPolarHBondContact O-CG 3.39Å; Q86-K90 PolarHBondContact O-N 2.85Å; E87-K90 PolarHBondContact O-N 3.03Å; E87-K90 WeakPolarHBondContact OE1-CD 3.34Å; E87-K90 WeakPolarHBondContact OE1-CE 3.38Å; E87-K90 IonicContact OE1-NZ 3.2Å; E87-K90 PolarHBondContact OE1-NZ 3.47Å; K90-Y93 PolarHBondContact O-N 2.84Å; K90-K94 WeakPolarHBondContact O-CB 3.24Å; K90-K94 PolarHBondContact O-N 3.46Å; K90-D140 HydrophobicContact CD-CB 4.11Å; K90-D140 WeakPolarHBondContact CE-OD2 3.36Å; K90-D140 HydrophobicContact CG-CB 4.19Å; K90-D140 IonicContact NZ-OD2 3.2Å; K90-D140 PolarHBondContact NZ-OD2 2.96Å; K90-F141 HydrophobicContact CB-CZ 4.49Å; K90-F141 HydrophobicContact CG-CE2 4.02Å; K90-F141 HydrophobicContact CG-CZ 3.69Å |
| 91 | S | 97.2 | Very high | 95.1 | Very high | 74 Ų | 74 | 45.8 Ų | 45.8 | 52% | 0.517 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -60.9 | -47.2 | 177.8 | -171.9 | 0 | 0 | 0 | 0 | 111.6 | E87 M89 K94 E95 | E87-S91 WeakPolarHBondContact O-CB 3.28Å; E87-S91 PolarHBondContact O-N 3.2Å; M89-S91 VanDerWaalsContact C-N 3.34Å; M89-S91 PolarHBondContact O-N 2.89Å; S91-K94 PolarHBondContact O-N 3.12Å; S91-E95 WeakPolarHBondContact O-CB 3.4Å; S91-E95 PolarHBondContact O-N 2.95Å |
| 92 | L | 96.3 | Very high | 95.3 | Very high | 21 Ų | 21 | 45.5 Ų | 45.5 | 11% | 0.11 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -63.1 | -44.2 | 179 | 177.7 | 62 | 0 | 0 | 0 | 112.1 | H19 L47 L73 E88 M89 L96 | H19-L92 HydrophobicContact CB-CD1 4.49Å; L47-L92 HydrophobicContact CD2-CD2 4.43Å; L73-L92 HydrophobicContact CD2-CD2 4.38Å; E88-L92 WeakPolarHBondContact O-CB 3.44Å; E88-L92 PolarHBondContact O-N 2.86Å; M89-L92 HydrophobicContact CE-CB 4.28Å; M89-L92 HydrophobicContact CE-CD2 4.08Å; M89-L92 HydrophobicContact CE-CG 4.25Å; M89-L92 PolarHBondContact O-N 3.02Å; M89-L92 HydrophobicContact SD-CD2 4.4Å; L92-L96 HydrophobicContact CD1-CD1 3.69Å; L92-L96 HydrophobicContact CD1-CG 4.11Å; L92-L96 HydrophobicContact CG-CD1 4.03Å; L92-L96 WeakPolarHBondContact O-CG 3.25Å; L92-L96 PolarHBondContact O-N 2.76Å; L92-L96 VanDerWaalsContact O-N 3.14Å |
| 93 | Y | 97.5 | Very high | 95.5 | Very high | 4 Ų | 4 | 44.9 Ų | 44.9 | 2% | 0.016 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60 | -50.5 | 176.7 | 178.3 | -87.4 | 0 | 0 | 0 | 110.4 | F48 I52 M89 K90 E95 L96 N97 F141 K142 | F48-Y93 HydrophobicContact CB-CD2 4.05Å; F48-Y93 HydrophobicContact CB-CE2 3.72Å; F48-Y93 AromaticContact CD1-CD2 3.79Å; F48-Y93 HydrophobicContact CD1-CD2 3.79Å; F48-Y93 HydrophobicContact CD1-CE2 4.11Å; F48-Y93 HydrophobicContact CD2-CD2 4.25Å; F48-Y93 AromaticContact CD2-CE2 3.76Å; F48-Y93 HydrophobicContact CD2-CE2 3.76Å; F48-Y93 HydrophobicContact CE1-CD2 4.31Å; F48-Y93 HydrophobicContact CE2-CE2 4.41Å; F48-Y93 AromaticContact CG-CD2 3.76Å; F48-Y93 HydrophobicContact CG-CD2 3.76Å; F48-Y93 AromaticContact CG-CE2 3.59Å; F48-Y93 HydrophobicContact CG-CE2 3.59Å; I52-Y93 HydrophobicContact CD1-CE2 4.28Å; I52-Y93 HydrophobicContact CG1-CE2 4.23Å; M89-Y93 WeakPolarHBondContact O-CB 3.05Å; M89-Y93 PolarHBondContact O-N 3.33Å; K90-Y93 PolarHBondContact O-N 2.84Å; Y93-E95 PolarHBondContact O-N 3.12Å; Y93-L96 PolarHBondContact O-N 3.48Å; Y93-N97 HydrophobicContact CD1-CB 4.23Å; Y93-N97 HydrophobicContact CE1-CB 3.97Å; Y93-N97 WeakPolarHBondContact O-CB 3.33Å; Y93-N97 PolarHBondContact O-N 3.02Å; Y93-F141 AromaticContact CD1-CD1 3.51Å; Y93-F141 HydrophobicContact CD1-CD1 3.51Å; Y93-F141 AromaticContact CD1-CE1 4Å; Y93-F141 HydrophobicContact CD1-CE1 4Å; Y93-F141 HydrophobicContact CD1-CG 4.45Å; Y93-F141 AromaticContact CD2-CD1 3.77Å; Y93-F141 HydrophobicContact CD2-CD1 3.77Å; Y93-F141 HydrophobicContact CD2-CE1 4.07Å; Y93-F141 HydrophobicContact CE1-CB 4.19Å; Y93-F141 AromaticContact CE1-CD1 3.76Å; Y93-F141 HydrophobicContact CE1-CD1 3.76Å; Y93-F141 HydrophobicContact CE1-CG 4.42Å; Y93-F141 AromaticContact CE2-CD1 3.98Å; Y93-F141 HydrophobicContact CE2-CD1 3.98Å; Y93-F141 AromaticContact CG-CD1 3.53Å; Y93-F141 HydrophobicContact CG-CD1 3.53Å; Y93-F141 AromaticContact CG-CE1 3.69Å; Y93-F141 HydrophobicContact CG-CE1 3.69Å; Y93-F141 AromaticContact CZ-CD1 3.98Å; Y93-K142 PolarHBondContact OH-N 3.27Å |
| 94 | K | 97 | Very high | 95.5 | Very high | 133 Ų | 133 | 42.3 Ų | 42.3 | 58% | 0.578 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -58.1 | -50 | -179.2 | -176.2 | 177.4 | 179 | 178.6 | 0 | 111.6 | K90 S91 L96 N97 D98 | K90-K94 WeakPolarHBondContact O-CB 3.24Å; K90-K94 PolarHBondContact O-N 3.46Å; S91-K94 PolarHBondContact O-N 3.12Å; K94-L96 PolarHBondContact O-N 2.77Å; K94-N97 PolarHBondContact O-N 3.49Å; K94-D98 WeakPolarHBondContact CG-OD2 3.35Å; K94-D98 VanDerWaalsContact O-CB 3.24Å; K94-D98 WeakPolarHBondContact O-CB 3.49Å; K94-D98 PolarHBondContact O-N 3.05Å |
| 95 | E | 96.1 | Very high | 95.4 | Very high | 121 Ų | 121 | 41.4 Ų | 41.4 | 57% | 0.565 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -55.9 | -52 | 179.3 | -176.2 | -174.1 | 159 | 0 | 0 | 111.8 | S91 Y93 S99 | S91-E95 WeakPolarHBondContact O-CB 3.4Å; S91-E95 PolarHBondContact O-N 2.95Å; Y93-E95 PolarHBondContact O-N 3.12Å; E95-S99 WeakPolarHBondContact O-CB 3.4Å; E95-S99 PolarHBondContact O-N 2.92Å |
| 96 | L | 96.7 | Very high | 95.1 | Very high | 1 Ų | 1 | 47.8 Ų | 47.8 | 1% | 0.005 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -69.8 | -41.8 | -177.2 | -67.6 | 173.6 | 0 | 0 | 0 | 112.3 | H19 L44 L47 F48 L92 Y93 K94 L100 L390 | H19-L96 HydrophobicContact CB-CD1 3.74Å; L44-L96 HydrophobicContact CD2-CD1 4.24Å; L47-L96 HydrophobicContact CD2-CD1 4.45Å; F48-L96 HydrophobicContact CE1-CB 3.71Å; F48-L96 HydrophobicContact CE1-CD1 3.98Å; F48-L96 HydrophobicContact CZ-CB 3.64Å; L92-L96 HydrophobicContact CD1-CD1 3.69Å; L92-L96 HydrophobicContact CD1-CG 4.11Å; L92-L96 HydrophobicContact CG-CD1 4.03Å; L92-L96 WeakPolarHBondContact O-CG 3.25Å; L92-L96 PolarHBondContact O-N 2.76Å; L92-L96 VanDerWaalsContact O-N 3.14Å; Y93-L96 PolarHBondContact O-N 3.48Å; K94-L96 PolarHBondContact O-N 2.77Å; L96-L100 WeakPolarHBondContact O-CB 3.46Å; L96-L100 WeakPolarHBondContact O-CG 3.43Å; L96-L100 PolarHBondContact O-N 2.98Å; L96-L390 HydrophobicContact CD2-CD1 3.97Å; L96-L390 HydrophobicContact CD2-CD2 3.79Å |
| 97 | N | 95.6 | Very high | 94.2 | Very high | 14 Ų | 14 | 46.4 Ų | 46.4 | 8% | 0.075 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -71.5 | -38.8 | -177.3 | 179.7 | 54.7 | 0 | 0 | 0 | 112.3 | F48 Y93 K94 G101 K142 | F48-N97 HydrophobicContact CE2-CB 3.99Å; F48-N97 HydrophobicContact CZ-CB 4.07Å; Y93-N97 HydrophobicContact CD1-CB 4.23Å; Y93-N97 HydrophobicContact CE1-CB 3.97Å; Y93-N97 WeakPolarHBondContact O-CB 3.33Å; Y93-N97 PolarHBondContact O-N 3.02Å; K94-N97 PolarHBondContact O-N 3.49Å; N97-G101 WeakPolarHBondContact O-CA 3.47Å; N97-G101 PolarHBondContact O-N 2.87Å; N97-K142 WeakPolarHBondContact ND2-CD 3.38Å; N97-K142 VanDerWaalsContact ND2-CE 3.25Å; N97-K142 WeakPolarHBondContact ND2-CE 3.41Å; N97-K142 PolarHBondContact ND2-NZ 3.08Å |
| 98 | D | 94.5 | Very high | 93.3 | Very high | 72 Ų | 72 | 47.3 Ų | 47.3 | 39% | 0.385 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -71.9 | -40.3 | 175.4 | -70 | -17 | 0 | 0 | 0 | 110.6 | K94 S102 K142 | K94-D98 WeakPolarHBondContact CG-OD2 3.35Å; K94-D98 VanDerWaalsContact O-CB 3.24Å; K94-D98 WeakPolarHBondContact O-CB 3.49Å; K94-D98 PolarHBondContact O-N 3.05Å; D98-S102 WeakPolarHBondContact O-CB 3.33Å; D98-S102 PolarHBondContact O-N 2.81Å; D98-S102 PolarHBondContact O-OG 3.35Å; D98-K142 IonicContact OD1-NZ 3.78Å; D98-K142 PolarHBondContact OD1-NZ 3.36Å |
| 99 | S | 95.1 | Very high | 92.5 | Very high | 22 Ų | 22 | 53 Ų | 53 | 15% | 0.154 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -60.6 | -51.3 | 174.4 | 176.2 | 0 | 0 | 0 | 0 | 112.2 | E95 S102 R252 | E95-S99 WeakPolarHBondContact O-CB 3.4Å; E95-S99 PolarHBondContact O-N 2.92Å; S99-S102 PolarHBondContact O-OG 2.75Å; S99-R252 PolarHBondContact O-NH1 3.04Å; S99-R252 PolarHBondContact OG-NH1 3.39Å; S99-R252 VanDerWaalsContact OG-NH1 3.12Å; S99-R252 PolarHBondContact OG-NH2 3.1Å |
| 100 | L | 95.6 | Very high | 92 | Very high | 4 Ų | 4 | 59.9 Ų | 59.9 | 2% | 0.021 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -71.4 | -36.6 | -179.8 | -70 | 167.3 | 0 | 0 | 0 | 111.9 | L44 L96 S102 E103 V115 I117 F253 D387 L390 I394 | L44-L100 HydrophobicContact CD1-CD1 3.75Å; L96-L100 WeakPolarHBondContact O-CB 3.46Å; L96-L100 WeakPolarHBondContact O-CG 3.43Å; L96-L100 PolarHBondContact O-N 2.98Å; L100-S102 VanDerWaalsContact C-N 3.33Å; L100-S102 PolarHBondContact O-N 2.81Å; L100-E103 PolarHBondContact O-N 2.99Å; L100-V115 HydrophobicContact CB-CB 4.34Å; L100-V115 HydrophobicContact CB-CG1 4.36Å; L100-V115 HydrophobicContact CD2-CG2 4.36Å; L100-I117 HydrophobicContact CD1-CD1 4.18Å; L100-F253 HydrophobicContact CD2-CE1 4.1Å; L100-F253 HydrophobicContact CD2-CZ 4.15Å; L100-D387 WeakPolarHBondContact CD2-OD2 3.36Å; L100-L390 HydrophobicContact CD2-CD1 4.29Å; L100-L390 HydrophobicContact CG-CD1 4.48Å; L100-I394 HydrophobicContact CD2-CG2 4.18Å |
| 101 | G | 92 | Very high | 91.6 | Very high | 12 Ų | 12 | 63 Ų | 63 | 12% | 0.124 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -78.4 | -11.3 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | N97 | N97-G101 WeakPolarHBondContact O-CA 3.47Å; N97-G101 PolarHBondContact O-N 2.87Å |
| 102 | S | 94.1 | Very high | 91.3 | Very high | 71 Ų | 71 | 62.1 Ų | 62.1 | 50% | 0.497 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | -17.9 | 173.3 | 60.5 | 0 | 0 | 0 | 0 | 113.2 | D98 S99 L100 K104 | D98-S102 WeakPolarHBondContact O-CB 3.33Å; D98-S102 PolarHBondContact O-N 2.81Å; D98-S102 PolarHBondContact O-OG 3.35Å; S99-S102 PolarHBondContact O-OG 2.75Å; L100-S102 VanDerWaalsContact C-N 3.33Å; L100-S102 PolarHBondContact O-N 2.81Å; S102-K104 WeakPolarHBondContact O-CG 3.38Å; S102-K104 PolarHBondContact O-N 3.3Å |
| 103 | E | 95.6 | Very high | 91.1 | Very high | 37 Ų | 37 | 65.2 Ų | 65.2 | 17% | 0.173 | 32% | 0.321 | C | S | . | . | trans | -73.7 | 123.8 | -179.1 | -58.8 | -55.2 | 152.8 | 0 | 0 | 111.1 | L100 K113 V114 N250 R252 F253 | L100-E103 PolarHBondContact O-N 2.99Å; E103-K113 WeakPolarHBondContact O-CA 3.28Å; E103-V114 HydrophobicContact CB-CB 4.04Å; E103-V114 HydrophobicContact CB-CG2 4.21Å; E103-V114 PolarHBondContact O-N 3.24Å; E103-N250 PolarHBondContact OE2-ND2 3.35Å; E103-R252 WeakPolarHBondContact OE1-CD 3.31Å; E103-R252 IonicContact OE1-CZ 3.23Å; E103-R252 IonicContact OE1-NH1 2.65Å; E103-R252 PolarHBondContact OE1-NH1 3.16Å; E103-F253 HydrophobicContact CB-CE2 3.88Å; E103-F253 HydrophobicContact CB-CZ 4.37Å; E103-F253 HydrophobicContact CG-CE2 3.76Å; E103-F253 HydrophobicContact CG-CZ 3.92Å | ||
| 104 | K | 94.1 | Very high | 90.9 | Very high | 81 Ų | 81 | 65 Ų | 65 | 35% | 0.352 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 151.5 | -174.2 | -56.2 | -55.4 | -170.9 | 144.6 | 0 | 112.3 | S102 E111 E112 V114 | S102-K104 WeakPolarHBondContact O-CG 3.38Å; S102-K104 PolarHBondContact O-N 3.3Å; K104-E111 HydrophobicContact CB-CG 3.97Å; K104-E111 HydrophobicContact CD-CG 3.99Å; K104-E111 WeakPolarHBondContact CD-OE1 3.49Å; K104-E111 WeakPolarHBondContact CE-OE1 3.31Å; K104-E111 HydrophobicContact CG-CG 4.03Å; K104-E111 IonicContact NZ-OE1 2.78Å; K104-E111 PolarHBondContact NZ-OE1 3.03Å; K104-E112 VanDerWaalsContact CA-O 3.3Å; K104-E112 WeakPolarHBondContact CA-O 3.42Å; K104-V114 WeakPolarHBondContact O-CG2 3.09Å |
| 105 | T | 91.6 | Very high | 90.8 | Very high | 1 Ų | 1 | 58.9 Ų | 58.9 | 1% | 0.006 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 161.2 | 167.9 | -166.9 | 0 | 0 | 0 | 0 | 108.8 | I107 E112 V114 R195 D196 | T105-I107 HydrophobicContact CG2-CD1 3.58Å; T105-I107 HydrophobicContact CG2-CG1 4.18Å; T105-E112 HydrophobicContact CG2-CB 4.37Å; T105-E112 PolarHBondContact N-O 3.06Å; T105-E112 PolarHBondContact O-N 3.33Å; T105-V114 HydrophobicContact CG2-CG2 4.11Å; T105-R195 WeakPolarHBondContact CG2-O 3.09Å; T105-D196 WeakPolarHBondContact CB-OD1 3.26Å; T105-D196 PolarHBondContact OG1-OD1 3.36Å |
| 106 | F | 86.7 | Confident | 90.6 | Very high | 133 Ų | 133 | 56.1 Ų | 56.1 | 58% | 0.583 | 28% | 0.278 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 114.8 | -177.3 | -74.7 | -90.8 | 0 | 0 | 0 | 110.1 | K110 E111 F197 | F106-K110 WeakPolarHBondContact CA-O 3.22Å; F106-E111 HydrophobicContact CD1-CB 4.25Å; F106-E111 HydrophobicContact CE1-CB 3.82Å; F106-E111 HydrophobicContact CE1-CG 4.23Å; F106-E111 HydrophobicContact CZ-CB 4.26Å; F106-E111 HydrophobicContact CZ-CG 4.16Å; F106-F197 VanDerWaalsContact O-CE2 3.24Å; F106-F197 WeakPolarHBondContact O-CE2 3.36Å |
| 107 | I | 77.6 | Confident | 90.5 | Very high | 1 Ų | 1 | 57 Ų | 57 | 1% | 0.005 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 127.5 | -176.6 | -58.3 | 150.2 | 0 | 0 | 0 | 108.7 | T105 D109 K110 E112 R195 F197 | T105-I107 HydrophobicContact CG2-CD1 3.58Å; T105-I107 HydrophobicContact CG2-CG1 4.18Å; I107-D109 PolarHBondContact O-N 2.74Å; I107-K110 PolarHBondContact N-O 3.46Å; I107-K110 WeakPolarHBondContact O-CB 3.42Å; I107-K110 PolarHBondContact O-N 2.89Å; I107-E112 HydrophobicContact CD1-CB 4.45Å; I107-R195 HydrophobicContact CD1-CB 4.45Å; I107-R195 HydrophobicContact CD1-CG 3.55Å; I107-F197 HydrophobicContact CG1-CE2 3.52Å; I107-F197 HydrophobicContact CG1-CZ 3.88Å |
| 108 | D | 77.8 | Confident | 90.5 | Very high | 102 Ų | 102 | 56.9 Ų | 56.9 | 55% | 0.545 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.1 | 46.4 | -175.2 | -55.3 | -43.3 | 0 | 0 | 0 | 112.1 | K110 | D108-K110 PolarHBondContact O-N 2.72Å; D108-K110 VanDerWaalsContact O-N 3.16Å |
| 109 | D | 78.5 | Confident | 90.6 | Very high | 168 Ų | 168 | 53.6 Ų | 53.6 | 90% | 0.898 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.1 | 18.4 | -176.6 | -59.3 | -45.8 | 0 | 0 | 0 | 115.6 | I107 | I107-D109 PolarHBondContact O-N 2.74Š|
| 110 | K | 84.9 | Confident | 90.8 | Very high | 144 Ų | 144 | 52.6 Ų | 52.6 | 63% | 0.626 | 26% | 0.258 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113 | 131.4 | 175.6 | -65.6 | 177.4 | -176.2 | 173.7 | 0 | 111 | F106 I107 D108 E112 | F106-K110 WeakPolarHBondContact CA-O 3.22Å; I107-K110 PolarHBondContact N-O 3.46Å; I107-K110 WeakPolarHBondContact O-CB 3.42Å; I107-K110 PolarHBondContact O-N 2.89Å; D108-K110 PolarHBondContact O-N 2.72Å; D108-K110 VanDerWaalsContact O-N 3.16Å; K110-E112 PolarHBondContact O-N 2.92Å |
| 111 | E | 89.7 | Confident | 90.9 | Very high | 108 Ų | 108 | 52.4 Ų | 52.4 | 51% | 0.505 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 120.6 | 169.8 | -170.5 | -168.2 | 98.8 | 0 | 0 | 109.5 | K104 F106 | K104-E111 HydrophobicContact CB-CG 3.97Å; K104-E111 HydrophobicContact CD-CG 3.99Å; K104-E111 WeakPolarHBondContact CD-OE1 3.49Å; K104-E111 WeakPolarHBondContact CE-OE1 3.31Å; K104-E111 HydrophobicContact CG-CG 4.03Å; K104-E111 IonicContact NZ-OE1 2.78Å; K104-E111 PolarHBondContact NZ-OE1 3.03Å; F106-E111 HydrophobicContact CD1-CB 4.25Å; F106-E111 HydrophobicContact CE1-CB 3.82Å; F106-E111 HydrophobicContact CE1-CG 4.23Å; F106-E111 HydrophobicContact CZ-CB 4.26Å; F106-E111 HydrophobicContact CZ-CG 4.16Å |
| 112 | E | 89.5 | Confident | 91.2 | Very high | 54 Ų | 54 | 51.9 Ų | 51.9 | 25% | 0.252 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 159.7 | 174.9 | -64.7 | -166.1 | 175.6 | 0 | 0 | 110.6 | K104 T105 I107 K110 R195 | K104-E112 VanDerWaalsContact CA-O 3.3Å; K104-E112 WeakPolarHBondContact CA-O 3.42Å; T105-E112 HydrophobicContact CG2-CB 4.37Å; T105-E112 PolarHBondContact N-O 3.06Å; T105-E112 PolarHBondContact O-N 3.33Å; I107-E112 HydrophobicContact CD1-CB 4.45Å; K110-E112 PolarHBondContact O-N 2.92Å; E112-R195 VanDerWaalsContact CD-NH1 3.31Å; E112-R195 IonicContact OE1-NH1 3.91Å; E112-R195 PolarHBondContact OE1-NH1 3.21Å; E112-R195 WeakPolarHBondContact OE2-CD 3.41Å; E112-R195 IonicContact OE2-CZ 3.21Å; E112-R195 IonicContact OE2-NH1 3.87Å; E112-R195 PolarHBondContact OE2-NH1 3.21Å |
| 113 | K | 91.9 | Very high | 91.4 | Very high | 87 Ų | 87 | 48.6 Ų | 48.6 | 38% | 0.378 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 134.4 | 170 | -68.2 | -178.9 | 178.1 | 175.3 | 0 | 109.3 | E103 V115 | E103-K113 WeakPolarHBondContact O-CA 3.28Å; K113-V115 VanDerWaalsContact C-N 3.32Å |
| 114 | V | 94.5 | Very high | 91.4 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -62.5 | -44 | 173.1 | 173.4 | 0 | 0 | 0 | 0 | 110.6 | E103 K104 T105 F194 R195 D196 N250 F253 | E103-V114 HydrophobicContact CB-CB 4.04Å; E103-V114 HydrophobicContact CB-CG2 4.21Å; E103-V114 PolarHBondContact O-N 3.24Å; K104-V114 WeakPolarHBondContact O-CG2 3.09Å; T105-V114 HydrophobicContact CG2-CG2 4.11Å; V114-F194 HydrophobicContact CG1-CD2 4.13Å; V114-F194 HydrophobicContact CG1-CE1 4.11Å; V114-F194 HydrophobicContact CG1-CE2 3.41Å; V114-F194 VanDerWaalsContact CG1-CE2 3.41Å; V114-F194 HydrophobicContact CG1-CZ 3.37Å; V114-F194 WeakPolarHBondContact O-CA 3.49Å; V114-R195 WeakPolarHBondContact CA-O 3.28Å; V114-R195 PolarHBondContact O-N 3.41Å; V114-D196 HydrophobicContact CG1-CB 4.18Å; V114-N250 HydrophobicContact CG2-CB 4.11Å; V114-F253 HydrophobicContact CB-CE2 4.2Å; V114-F253 HydrophobicContact CG1-CD2 3.66Å; V114-F253 HydrophobicContact CG1-CE2 3.59Å |
| 115 | V | 94.6 | Very high | 91.4 | Very high | 4 Ų | 4 | 50.6 Ų | 50.6 | 2% | 0.024 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 125.1 | 179.6 | -171.1 | 0 | 0 | 0 | 0 | 109.7 | L100 K113 I117 F192 F194 F253 I394 | L100-V115 HydrophobicContact CB-CB 4.34Å; L100-V115 HydrophobicContact CB-CG1 4.36Å; L100-V115 HydrophobicContact CD2-CG2 4.36Å; K113-V115 VanDerWaalsContact C-N 3.32Å; V115-I117 HydrophobicContact CG1-CD1 4.27Å; V115-I117 HydrophobicContact CG1-CG1 3.97Å; V115-F192 HydrophobicContact CG1-CE2 3.76Å; V115-F192 HydrophobicContact CG1-CZ 4.3Å; V115-F194 HydrophobicContact CG2-CD2 3.86Å; V115-F194 HydrophobicContact CG2-CE2 3.89Å; V115-F253 HydrophobicContact CG2-CE1 4.09Å; V115-F253 HydrophobicContact CG2-CE2 3.98Å; V115-F253 HydrophobicContact CG2-CZ 3.54Å; V115-I394 HydrophobicContact CG2-CD1 3.97Å |
| 116 | R | 92.3 | Very high | 91.5 | Very high | 63 Ų | 63 | 54.6 Ų | 54.6 | 24% | 0.238 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 121 | 170 | -177.4 | 173 | 70.1 | -159.9 | -1.3 | 109.6 | Q167 N169 Y193 | R116-Q167 VanDerWaalsContact CZ-O 3.27Å; R116-Q167 PolarHBondContact NE-O 3.41Å; R116-Q167 VanDerWaalsContact NH2-C 3.28Å; R116-Q167 PolarHBondContact NH2-O 3.25Å; R116-N169 PolarHBondContact NH1-OD1 2.84Å; R116-N169 VanDerWaalsContact NH2-CG 3.32Å; R116-N169 PolarHBondContact NH2-OD1 3.09Å; R116-Y193 PolarHBondContact N-O 2.75Å; R116-Y193 PolarHBondContact O-N 2.93Å |
| 117 | I | 94.8 | Very high | 91.9 | Very high | 19 Ų | 19 | 50.4 Ų | 50.4 | 10% | 0.097 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 108.8 | 174.5 | -49.4 | -170.6 | 0 | 0 | 0 | 106.8 | L44 F48 L100 V115 N190 F192 | L44-I117 HydrophobicContact CB-CD1 4.38Å; F48-I117 HydrophobicContact CD2-CB 4.16Å; F48-I117 HydrophobicContact CD2-CD1 4.19Å; F48-I117 HydrophobicContact CD2-CG2 3.77Å; F48-I117 HydrophobicContact CE2-CB 4.35Å; F48-I117 HydrophobicContact CE2-CD1 3.86Å; F48-I117 HydrophobicContact CE2-CG2 4.39Å; L100-I117 HydrophobicContact CD1-CD1 4.18Å; V115-I117 HydrophobicContact CG1-CD1 4.27Å; V115-I117 HydrophobicContact CG1-CG1 3.97Å; I117-N190 WeakPolarHBondContact CG2-ND2 3.3Å; I117-F192 HydrophobicContact CD1-CD2 4.2Å; I117-F192 HydrophobicContact CD1-CE2 4.35Å; I117-F192 HydrophobicContact CG1-CD2 3.88Å; I117-F192 HydrophobicContact CG1-CE2 4.22Å |
| 118 | S | 95.1 | Very high | 92.8 | Very high | 12 Ų | 12 | 57.5 Ų | 57.5 | 8% | 0.084 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 139.6 | -179.3 | -59.5 | 0 | 0 | 0 | 0 | 110 | Q167 N190 V191 | S118-Q167 PolarHBondContact OG-OE1 3.4Å; S118-N190 WeakPolarHBondContact O-CA 3.43Å; S118-N190 PolarHBondContact O-ND2 3.46Å; S118-V191 PolarHBondContact N-O 3.31Å; S118-V191 PolarHBondContact O-N 3.27Å |
| 119 | T | 97.5 | Very high | 93.7 | Very high | 3 Ų | 3 | 54.9 Ų | 54.9 | 2% | 0.018 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 120.4 | 176.1 | -65 | 0 | 0 | 0 | 0 | 109.9 | T49 I52 L121 G143 E144 V189 | T49-T119 HydrophobicContact CG2-CG2 3.79Å; T49-T119 VanDerWaalsContact OG1-CG2 3.25Å; T49-T119 WeakPolarHBondContact OG1-CG2 3.09Å; T49-T119 PolarHBondContact OG1-OG1 2.95Å; I52-T119 HydrophobicContact CD1-CG2 3.78Å; T119-L121 HydrophobicContact CG2-CD1 3.91Å; T119-G143 WeakPolarHBondContact O-CA 3.48Å; T119-E144 PolarHBondContact O-N 3.27Å; T119-V189 CarbonylContact C-O 3.59Å; T119-V189 WeakPolarHBondContact CA-O 3.42Å |
| 120 | G | 97.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 127.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | V189 | G120-V189 PolarHBondContact N-O 2.99Å; G120-V189 PolarHBondContact O-N 3.37Å |
| 121 | L | 98.4 | Very high | 95.2 | Very high | 1 Ų | 1 | 47.2 Ų | 47.2 | 1% | 0.005 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 95.9 | 174.3 | -62.1 | 87.9 | 0 | 0 | 0 | 107.4 | I52 L53 T119 F133 I137 E144 L145 I146 M186 L188 | I52-L121 HydrophobicContact CG2-CD1 4.19Å; I52-L121 HydrophobicContact CG2-CD2 3.9Å; L53-L121 HydrophobicContact CD2-CD2 4.18Å; T119-L121 HydrophobicContact CG2-CD1 3.91Å; L121-F133 HydrophobicContact CD2-CZ 3.85Å; L121-I137 HydrophobicContact CD1-CD1 4.47Å; L121-I137 HydrophobicContact CD2-CD1 4.18Å; L121-E144 PolarHBondContact N-O 3.05Å; L121-L145 HydrophobicContact CB-CD1 4.07Å; L121-I146 PolarHBondContact O-N 2.71Å; L121-M186 HydrophobicContact CB-CE 4.31Å; L121-M186 HydrophobicContact CD2-CE 4.04Å; L121-L188 HydrophobicContact CB-CD2 4.03Å; L121-L188 HydrophobicContact CD2-CD2 3.98Å; L121-L188 HydrophobicContact CG-CD2 3.59Å |
| 122 | F | 98.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 115.3 | -178.5 | -57.8 | -84.9 | 0 | 0 | 0 | 109.2 | I146 V148 F150 I160 W163 M186 I187 V189 | F122-I146 WeakPolarHBondContact CA-O 3.11Å; F122-I146 HydrophobicContact CD1-CB 3.7Å; F122-I146 HydrophobicContact CD1-CD1 4.02Å; F122-I146 HydrophobicContact CD1-CG1 4.46Å; F122-I146 HydrophobicContact CD1-CG2 3.78Å; F122-I146 HydrophobicContact CE1-CB 3.94Å; F122-I146 HydrophobicContact CE1-CD1 3.4Å; F122-I146 HydrophobicContact CE1-CG1 4.26Å; F122-I146 HydrophobicContact CE1-CG2 3.9Å; F122-I146 HydrophobicContact CZ-CD1 3.77Å; F122-V148 HydrophobicContact CB-CG2 4.03Å; F122-V148 HydrophobicContact CD1-CG2 3.66Å; F122-V148 HydrophobicContact CG-CG2 4.32Å; F122-F150 HydrophobicContact CB-CZ 4.18Å; F122-I160 HydrophobicContact CB-CD1 3.96Å; F122-I160 HydrophobicContact CB-CG1 4.45Å; F122-I160 HydrophobicContact CD1-CD1 4.09Å; F122-I160 HydrophobicContact CD1-CG1 3.65Å; F122-I160 HydrophobicContact CD2-CD1 4.1Å; F122-I160 HydrophobicContact CD2-CG1 4.26Å; F122-I160 HydrophobicContact CD2-CG2 4.3Å; F122-I160 HydrophobicContact CE1-CB 4.31Å; F122-I160 HydrophobicContact CE1-CG1 3.82Å; F122-I160 HydrophobicContact CE1-CG2 4.35Å; F122-I160 HydrophobicContact CE2-CG1 4.45Å; F122-I160 HydrophobicContact CE2-CG2 3.89Å; F122-I160 HydrophobicContact CG-CD1 3.77Å; F122-I160 HydrophobicContact CG-CG1 3.85Å; F122-I160 HydrophobicContact CZ-CB 4.35Å; F122-I160 HydrophobicContact CZ-CG1 4.22Å; F122-I160 HydrophobicContact CZ-CG2 3.9Å; F122-W163 HydrophobicContact CE1-CB 4.14Å; F122-W163 HydrophobicContact CE1-CD2 4.47Å; F122-W163 HydrophobicContact CE1-CG 4.22Å; F122-W163 HydrophobicContact CE2-CE3 4.08Å; F122-W163 HydrophobicContact CE2-CZ3 4.41Å; F122-W163 HydrophobicContact CZ-CB 3.93Å; F122-W163 AromaticContact CZ-CD2 3.67Å; F122-W163 HydrophobicContact CZ-CD2 3.67Å; F122-W163 AromaticContact CZ-CE3 3.59Å; F122-W163 HydrophobicContact CZ-CE3 3.59Å; F122-W163 AromaticContact CZ-CG 3.83Å; F122-W163 HydrophobicContact CZ-CG 3.83Å; F122-W163 HydrophobicContact CZ-CZ3 4.32Å; F122-M186 CarbonylContact O-C 3.59Å; F122-M186 VanDerWaalsContact O-CA 3.25Å; F122-M186 WeakPolarHBondContact O-CA 3.05Å; F122-I187 HydrophobicContact CB-CB 4.33Å; F122-I187 PolarHBondContact N-O 3.01Å; F122-I187 PolarHBondContact O-N 2.95Å; F122-V189 HydrophobicContact CD2-CG2 3.99Å; F122-V189 HydrophobicContact CE2-CB 3.96Å; F122-V189 HydrophobicContact CE2-CG2 3.64Å |
| 123 | V | 97.4 | Very high | 95.8 | Very high | 3 Ų | 3 | 43 Ų | 43 | 2% | 0.018 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 145.2 | -176.3 | -177.6 | 0 | 0 | 0 | 0 | 109.4 | R125 Y127 I129 L145 I146 P147 V148 M186 L335 | V123-R125 PolarHBondContact O-N 2.89Å; V123-R125 VanDerWaalsContact O-N 3.16Å; V123-Y127 HydrophobicContact CG1-CD2 3.94Å; V123-I129 HydrophobicContact CG1-CD1 3.93Å; V123-L145 HydrophobicContact CB-CD1 4.32Å; V123-L145 HydrophobicContact CG2-CD1 3.69Å; V123-I146 PolarHBondContact N-O 3.02Å; V123-I146 VanDerWaalsContact N-O 3.11Å; V123-P147 CarbonylContact O-C 3.53Å; V123-P147 WeakPolarHBondContact O-CA 3.25Å; V123-V148 PolarHBondContact O-N 3.07Å; V123-M186 HydrophobicContact CG2-CE 4.23Å; V123-M186 HydrophobicContact CG2-CG 3.98Å; V123-M186 HydrophobicContact CG2-SD 4.07Å; V123-L335 HydrophobicContact CG1-CD2 4.47Å |
| 124 | Q | 96.3 | Very high | 95.9 | Very high | 9 Ų | 9 | 42.8 Ų | 42.8 | 4% | 0.042 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -54.4 | 121.5 | 176.2 | 173.4 | 55.1 | 16.7 | 0 | 0 | 111 | T126 Y127 V148 F150 G185 | Q124-T126 WeakPolarHBondContact CG-OG1 3.33Å; Q124-T126 PolarHBondContact NE2-OG1 2.91Å; Q124-T126 PolarHBondContact O-N 3.23Å; Q124-Y127 HydrophobicContact CB-CD1 4.23Å; Q124-Y127 HydrophobicContact CB-CD2 3.83Å; Q124-Y127 HydrophobicContact CB-CE1 4.08Å; Q124-Y127 HydrophobicContact CB-CE2 3.65Å; Q124-Y127 HydrophobicContact CB-CG 4.12Å; Q124-Y127 HydrophobicContact CG-CD1 4Å; Q124-Y127 HydrophobicContact CG-CD2 4.48Å; Q124-Y127 HydrophobicContact CG-CE1 3.76Å; Q124-Y127 HydrophobicContact CG-CE2 4.27Å; Q124-Y127 HydrophobicContact CG-CG 4.36Å; Q124-Y127 WeakPolarHBondContact O-CB 3.24Å; Q124-Y127 PolarHBondContact O-N 2.87Å; Q124-V148 CarbonylContact C-O 3.46Å; Q124-V148 WeakPolarHBondContact CA-O 3.36Å; Q124-V148 PolarHBondContact OE1-O 2.8Å; Q124-F150 HydrophobicContact CB-CD2 4.01Å; Q124-G185 PolarHBondContact N-O 3.01Å |
| 125 | R | 95.3 | Very high | 96 | Very high | 151 Ų | 151 | 48.1 Ų | 48.1 | 57% | 0.57 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62 | -19.6 | -170 | 69.2 | 170.1 | -176.6 | -179.1 | 2.4 | 115.1 | V123 Y127 P147 V148 N149 | V123-R125 PolarHBondContact O-N 2.89Å; V123-R125 VanDerWaalsContact O-N 3.16Å; R125-Y127 VanDerWaalsContact C-N 3.27Å; R125-P147 HydrophobicContact CB-CB 3.75Å; R125-V148 PolarHBondContact N-O 2.98Å; R125-N149 HydrophobicContact CG-CB 4.2Å; R125-N149 PolarHBondContact NH2-ND2 2.86Å |
| 126 | T | 93.5 | Very high | 96.1 | Very high | 84 Ų | 84 | 48.4 Ų | 48.4 | 52% | 0.515 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | -6.2 | -179.4 | 51.9 | 0 | 0 | 0 | 0 | 112.3 | Q124 | Q124-T126 WeakPolarHBondContact CG-OG1 3.33Å; Q124-T126 PolarHBondContact NE2-OG1 2.91Å; Q124-T126 PolarHBondContact O-N 3.23Å |
| 127 | Y | 94.9 | Very high | 96.2 | Very high | 46 Ų | 46 | 45.6 Ų | 45.6 | 18% | 0.18 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -82.7 | 135.4 | 177.6 | -60.8 | -10.4 | 0 | 0 | 0 | 110.5 | V123 Q124 R125 I129 D332 H333 L335 | V123-Y127 HydrophobicContact CG1-CD2 3.94Å; Q124-Y127 HydrophobicContact CB-CD1 4.23Å; Q124-Y127 HydrophobicContact CB-CD2 3.83Å; Q124-Y127 HydrophobicContact CB-CE1 4.08Å; Q124-Y127 HydrophobicContact CB-CE2 3.65Å; Q124-Y127 HydrophobicContact CB-CG 4.12Å; Q124-Y127 HydrophobicContact CG-CD1 4Å; Q124-Y127 HydrophobicContact CG-CD2 4.48Å; Q124-Y127 HydrophobicContact CG-CE1 3.76Å; Q124-Y127 HydrophobicContact CG-CE2 4.27Å; Q124-Y127 HydrophobicContact CG-CG 4.36Å; Q124-Y127 WeakPolarHBondContact O-CB 3.24Å; Q124-Y127 PolarHBondContact O-N 2.87Å; R125-Y127 VanDerWaalsContact C-N 3.27Å; Y127-I129 PolarHBondContact O-N 3.37Å; Y127-D332 WeakPolarHBondContact CA-OD2 3.22Å; Y127-H333 HydrophobicContact CD1-CB 4.27Å; Y127-H333 AromaticContact CD1-CE1 3.41Å; Y127-H333 VanDerWaalsContact CD1-CE1 3.41Å; Y127-H333 WeakPolarHBondContact CD1-CE1 3.49Å; Y127-H333 AromaticContact CD1-CG 3.58Å; Y127-H333 AromaticContact CD1-ND1 3.12Å; Y127-H333 WeakPolarHBondContact CD1-ND1 3.38Å; Y127-H333 AromaticContact CD1-NE2 3.93Å; Y127-H333 HydrophobicContact CE1-CB 3.97Å; Y127-H333 AromaticContact CE1-CD2 3.45Å; Y127-H333 VanDerWaalsContact CE1-CD2 3.45Å; Y127-H333 WeakPolarHBondContact CE1-CD2 3.33Å; Y127-H333 AromaticContact CE1-CE1 3.58Å; Y127-H333 AromaticContact CE1-CG 3.32Å; Y127-H333 AromaticContact CE1-ND1 3.37Å; Y127-H333 WeakPolarHBondContact CE1-ND1 3.29Å; Y127-H333 AromaticContact CE1-NE2 3.6Å; Y127-H333 HydrophobicContact CE2-CB 4.24Å; Y127-H333 AromaticContact CG-ND1 3.82Å; Y127-H333 AromaticContact CZ-CG 3.8Å; Y127-L335 HydrophobicContact CD2-CD1 3.97Å; Y127-L335 HydrophobicContact CE2-CD1 3.65Å |
| 128 | E | 96.1 | Very high | 96.1 | Very high | 149 Ų | 149 | 52.7 Ų | 52.7 | 70% | 0.696 | 26% | 0.263 | S | S | * | . | trans | -77.4 | 112.6 | 174.4 | -173.5 | 171.7 | -173.4 | 0 | 0 | 110 | T330 D332 | E128-T330 WeakPolarHBondContact O-CB 3.46Å; E128-T330 PolarHBondContact O-OG1 3.49Å; E128-D332 PolarHBondContact N-OD2 3.36Å | ||
| 129 | I | 96.9 | Very high | 96 | Very high | 47 Ų | 47 | 57.6 Ų | 57.6 | 24% | 0.241 | 29% | 0.288 | C | S | . | . | trans | -87.4 | 132.8 | -177.2 | -53.5 | -60.3 | 0 | 0 | 0 | 110.8 | V123 Y127 T131 F133 L145 I329 | V123-I129 HydrophobicContact CG1-CD1 3.93Å; Y127-I129 PolarHBondContact O-N 3.37Å; I129-T131 PolarHBondContact O-N 3.12Å; I129-F133 HydrophobicContact CG2-CD1 3.92Å; I129-L145 HydrophobicContact CB-CD2 4.48Å; I129-L145 HydrophobicContact CG1-CD2 4.27Å; I129-L145 HydrophobicContact CG2-CD2 3.78Å; I129-I329 WeakPolarHBondContact CA-O 3.25Å; I129-I329 HydrophobicContact CD1-CG2 3.99Å | ||
| 130 | E | 97.7 | Very high | 95.9 | Very high | 60 Ų | 60 | 60.5 Ų | 60.5 | 28% | 0.28 | 30% | 0.303 | S | S | . | . | trans | -55.6 | 129 | 173.5 | -73.8 | -59.4 | 140.2 | 0 | 0 | 111.7 | S132 F133 N134 G328 I329 H331 | E130-S132 VanDerWaalsContact C-N 3.26Å; E130-S132 PolarHBondContact O-N 2.84Å; E130-F133 HydrophobicContact CB-CB 4.23Å; E130-F133 PolarHBondContact O-N 3.4Å; E130-F133 VanDerWaalsContact O-N 3.16Å; E130-N134 PolarHBondContact O-N 3.45Å; E130-N134 VanDerWaalsContact O-N 3.12Å; E130-G328 WeakPolarHBondContact CB-O 3.2Å; E130-I329 PolarHBondContact N-O 2.88Å; E130-H331 IonicContact OE1-CE1 3.38Å; E130-H331 PolarHBondContact OE1-CE1 3.09Å; E130-H331 IonicContact OE1-CG 3.85Å; E130-H331 IonicContact OE1-ND1 2.69Å; E130-H331 PolarHBondContact OE1-ND1 2.99Å | ||
| 131 | T | 96.8 | Very high | 95.8 | Very high | 92 Ų | 92 | 60.9 Ų | 60.9 | 56% | 0.564 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -60.8 | -39.7 | -177.5 | -60.6 | 0 | 0 | 0 | 0 | 111.1 | I129 F133 N134 E135 | I129-T131 PolarHBondContact O-N 3.12Å; T131-F133 VanDerWaalsContact C-N 3.33Å; T131-F133 PolarHBondContact O-N 2.9Å; T131-N134 PolarHBondContact O-N 3.14Å; T131-E135 HydrophobicContact CG2-CG 4.27Å; T131-E135 WeakPolarHBondContact O-CB 3.35Å; T131-E135 WeakPolarHBondContact O-CG 3.38Å; T131-E135 PolarHBondContact O-N 3.29Å |
| 132 | S | 95.7 | Very high | 95.4 | Very high | 72 Ų | 72 | 65.6 Ų | 65.6 | 50% | 0.503 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -61.4 | -39.1 | 178.5 | 56.9 | 0 | 0 | 0 | 0 | 112.7 | E130 S136 | E130-S132 VanDerWaalsContact C-N 3.26Å; E130-S132 PolarHBondContact O-N 2.84Å; S132-S136 WeakPolarHBondContact O-CB 3.43Å; S132-S136 PolarHBondContact O-N 2.93Å |
| 133 | F | 96.7 | Very high | 95.1 | Very high | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -67.3 | -48.4 | 175.7 | 179.9 | -106.4 | 0 | 0 | 0 | 111.1 | L121 I129 E130 T131 E135 S136 I137 L145 G328 I329 | L121-F133 HydrophobicContact CD2-CZ 3.85Å; I129-F133 HydrophobicContact CG2-CD1 3.92Å; E130-F133 HydrophobicContact CB-CB 4.23Å; E130-F133 PolarHBondContact O-N 3.4Å; E130-F133 VanDerWaalsContact O-N 3.16Å; T131-F133 VanDerWaalsContact C-N 3.33Å; T131-F133 PolarHBondContact O-N 2.9Å; F133-E135 VanDerWaalsContact C-N 3.31Å; F133-E135 PolarHBondContact O-N 3.38Å; F133-S136 PolarHBondContact O-N 3.15Å; F133-I137 HydrophobicContact CD1-CG1 4.21Å; F133-I137 HydrophobicContact CD2-CG1 4.44Å; F133-I137 HydrophobicContact CE1-CD1 4.3Å; F133-I137 HydrophobicContact CE1-CG1 3.89Å; F133-I137 HydrophobicContact CE2-CD1 4Å; F133-I137 HydrophobicContact CE2-CG1 4.14Å; F133-I137 HydrophobicContact CG-CG1 4.48Å; F133-I137 HydrophobicContact CZ-CD1 3.78Å; F133-I137 HydrophobicContact CZ-CG1 3.86Å; F133-I137 VanDerWaalsContact O-CG1 3.3Å; F133-I137 WeakPolarHBondContact O-CG1 3.34Å; F133-I137 PolarHBondContact O-N 3.07Å; F133-L145 HydrophobicContact CD1-CD2 4.37Å; F133-L145 HydrophobicContact CE1-CD1 4.25Å; F133-L145 HydrophobicContact CE1-CD2 4.27Å; F133-G328 VanDerWaalsContact CB-O 3.27Å; F133-G328 WeakPolarHBondContact CB-O 3.11Å; F133-I329 HydrophobicContact CD1-CB 4.41Å; F133-I329 HydrophobicContact CD1-CG1 4.26Å; F133-I329 HydrophobicContact CD1-CG2 4.05Å; F133-I329 HydrophobicContact CD2-CG1 4.09Å; F133-I329 HydrophobicContact CE1-CB 4.44Å; F133-I329 HydrophobicContact CE1-CD1 4.31Å; F133-I329 HydrophobicContact CE1-CG1 4.03Å; F133-I329 HydrophobicContact CE1-CG2 3.92Å; F133-I329 HydrophobicContact CE2-CD1 4.22Å; F133-I329 HydrophobicContact CE2-CG1 3.86Å; F133-I329 HydrophobicContact CG-CG1 4.28Å; F133-I329 HydrophobicContact CZ-CD1 3.88Å; F133-I329 HydrophobicContact CZ-CG1 3.82Å |
| 134 | N | 94.5 | Very high | 95 | Very high | 84 Ų | 84 | 69.6 Ų | 69.6 | 45% | 0.449 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -60.1 | -41.5 | 178.6 | -170 | 41.5 | 0 | 0 | 0 | 112.2 | E130 T131 K138 | E130-N134 PolarHBondContact O-N 3.45Å; E130-N134 VanDerWaalsContact O-N 3.12Å; T131-N134 PolarHBondContact O-N 3.14Å; N134-K138 WeakPolarHBondContact O-CB 3.35Å; N134-K138 PolarHBondContact O-N 3.34Å; N134-K138 VanDerWaalsContact O-N 3.12Å |
| 135 | E | 95.7 | Very high | 95.1 | Very high | 111 Ų | 111 | 70.9 Ų | 70.9 | 52% | 0.519 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -62.9 | -43.6 | 174.7 | -75.2 | -180 | 170 | 0 | 0 | 112.1 | T131 F133 K138 N139 | T131-E135 HydrophobicContact CG2-CG 4.27Å; T131-E135 WeakPolarHBondContact O-CB 3.35Å; T131-E135 WeakPolarHBondContact O-CG 3.38Å; T131-E135 PolarHBondContact O-N 3.29Å; F133-E135 VanDerWaalsContact C-N 3.31Å; F133-E135 PolarHBondContact O-N 3.38Å; E135-K138 PolarHBondContact O-N 3.33Å; E135-N139 WeakPolarHBondContact O-CB 3.29Å; E135-N139 PolarHBondContact O-N 2.95Å; E135-N139 PolarHBondContact O-ND2 3.42Å; E135-N139 VanDerWaalsContact O-ND2 3.16Å |
| 136 | S | 96.2 | Very high | 95.1 | Very high | 10 Ų | 10 | 65 Ų | 65 | 7% | 0.07 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -67.8 | -40.9 | 178.8 | -169.7 | 0 | 0 | 0 | 0 | 112.2 | S56 S132 F133 K138 N139 D140 F141 | S56-S136 WeakPolarHBondContact CA-OG 3.39Å; S132-S136 WeakPolarHBondContact O-CB 3.43Å; S132-S136 PolarHBondContact O-N 2.93Å; F133-S136 PolarHBondContact O-N 3.15Å; S136-K138 PolarHBondContact O-N 2.85Å; S136-N139 PolarHBondContact O-N 3.45Å; S136-D140 WeakPolarHBondContact O-CA 3.27Å; S136-D140 VanDerWaalsContact O-CB 3.32Å; S136-D140 WeakPolarHBondContact O-CB 3.37Å; S136-D140 PolarHBondContact O-N 2.86Å; S136-D140 PolarHBondContact OG-OD2 3.24Å; S136-F141 WeakPolarHBondContact O-CD2 3.48Å; S136-F141 PolarHBondContact O-N 3.14Å |
| 137 | I | 95 | Very high | 95.3 | Very high | 5 Ų | 5 | 65.6 Ų | 65.6 | 3% | 0.026 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -55.9 | -41.7 | 172.5 | -65.3 | -66.2 | 0 | 0 | 0 | 111.2 | I52 L121 F133 F141 G143 L145 | I52-I137 HydrophobicContact CG2-CD1 3.16Å; L121-I137 HydrophobicContact CD1-CD1 4.47Å; L121-I137 HydrophobicContact CD2-CD1 4.18Å; F133-I137 HydrophobicContact CD1-CG1 4.21Å; F133-I137 HydrophobicContact CD2-CG1 4.44Å; F133-I137 HydrophobicContact CE1-CD1 4.3Å; F133-I137 HydrophobicContact CE1-CG1 3.89Å; F133-I137 HydrophobicContact CE2-CD1 4Å; F133-I137 HydrophobicContact CE2-CG1 4.14Å; F133-I137 HydrophobicContact CG-CG1 4.48Å; F133-I137 HydrophobicContact CZ-CD1 3.78Å; F133-I137 HydrophobicContact CZ-CG1 3.86Å; F133-I137 VanDerWaalsContact O-CG1 3.3Å; F133-I137 WeakPolarHBondContact O-CG1 3.34Å; F133-I137 PolarHBondContact O-N 3.07Å; I137-F141 CarbonylContact O-C 3.34Å; I137-G143 VanDerWaalsContact CG2-O 3.24Å; I137-G143 WeakPolarHBondContact CG2-O 3.5Å; I137-L145 HydrophobicContact CG2-CB 4.47Å |
| 138 | K | 91.7 | Very high | 95.4 | Very high | 168 Ų | 168 | 63.6 Ų | 63.6 | 73% | 0.73 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -74.9 | -39.6 | -179 | -177.1 | -178.3 | 176.9 | -175.6 | 0 | 113.6 | N134 E135 S136 | N134-K138 WeakPolarHBondContact O-CB 3.35Å; N134-K138 PolarHBondContact O-N 3.34Å; N134-K138 VanDerWaalsContact O-N 3.12Å; E135-K138 PolarHBondContact O-N 3.33Å; S136-K138 PolarHBondContact O-N 2.85Å |
| 139 | N | 94.5 | Very high | 95.4 | Very high | 114 Ų | 114 | 58 Ų | 58 | 61% | 0.61 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -96.9 | -36.4 | -168.5 | -63.7 | -26.9 | 0 | 0 | 0 | 112.9 | E135 S136 | E135-N139 WeakPolarHBondContact O-CB 3.29Å; E135-N139 PolarHBondContact O-N 2.95Å; E135-N139 PolarHBondContact O-ND2 3.42Å; E135-N139 VanDerWaalsContact O-ND2 3.16Å; S136-N139 PolarHBondContact O-N 3.45Å |
| 140 | D | 94.9 | Very high | 95.4 | Very high | 64 Ų | 64 | 55.8 Ų | 55.8 | 34% | 0.342 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.4 | -24.9 | -172.3 | -57 | -40.2 | 0 | 0 | 0 | 112.3 | K90 S136 | K90-D140 HydrophobicContact CD-CB 4.11Å; K90-D140 WeakPolarHBondContact CE-OD2 3.36Å; K90-D140 HydrophobicContact CG-CB 4.19Å; K90-D140 IonicContact NZ-OD2 3.2Å; K90-D140 PolarHBondContact NZ-OD2 2.96Å; S136-D140 WeakPolarHBondContact O-CA 3.27Å; S136-D140 VanDerWaalsContact O-CB 3.32Å; S136-D140 WeakPolarHBondContact O-CB 3.37Å; S136-D140 PolarHBondContact O-N 2.86Å; S136-D140 PolarHBondContact OG-OD2 3.24Å |
| 141 | F | 94.9 | Very high | 95.3 | Very high | 9 Ų | 9 | 58.6 Ų | 58.6 | 4% | 0.039 | 31% | 0.311 | C | S | . | . | trans | -123.7 | 165.7 | -175.3 | -59.7 | -79.9 | 0 | 0 | 0 | 112.3 | I52 S56 K90 Y93 S136 I137 | I52-F141 HydrophobicContact CB-CD1 4.33Å; I52-F141 HydrophobicContact CB-CG 4.46Å; I52-F141 HydrophobicContact CD1-CB 4.46Å; I52-F141 HydrophobicContact CG1-CB 3.89Å; I52-F141 HydrophobicContact CG1-CD1 3.46Å; I52-F141 VanDerWaalsContact CG1-CD1 3.46Å; I52-F141 HydrophobicContact CG1-CE1 4.18Å; I52-F141 HydrophobicContact CG1-CG 3.71Å; S56-F141 WeakPolarHBondContact OG-CD2 3.45Å; S56-F141 WeakPolarHBondContact OG-CE2 3.25Å; K90-F141 HydrophobicContact CB-CZ 4.49Å; K90-F141 HydrophobicContact CG-CE2 4.02Å; K90-F141 HydrophobicContact CG-CZ 3.69Å; Y93-F141 AromaticContact CD1-CD1 3.51Å; Y93-F141 HydrophobicContact CD1-CD1 3.51Å; Y93-F141 AromaticContact CD1-CE1 4Å; Y93-F141 HydrophobicContact CD1-CE1 4Å; Y93-F141 HydrophobicContact CD1-CG 4.45Å; Y93-F141 AromaticContact CD2-CD1 3.77Å; Y93-F141 HydrophobicContact CD2-CD1 3.77Å; Y93-F141 HydrophobicContact CD2-CE1 4.07Å; Y93-F141 HydrophobicContact CE1-CB 4.19Å; Y93-F141 AromaticContact CE1-CD1 3.76Å; Y93-F141 HydrophobicContact CE1-CD1 3.76Å; Y93-F141 HydrophobicContact CE1-CG 4.42Å; Y93-F141 AromaticContact CE2-CD1 3.98Å; Y93-F141 HydrophobicContact CE2-CD1 3.98Å; Y93-F141 AromaticContact CG-CD1 3.53Å; Y93-F141 HydrophobicContact CG-CD1 3.53Å; Y93-F141 AromaticContact CG-CE1 3.69Å; Y93-F141 HydrophobicContact CG-CE1 3.69Å; Y93-F141 AromaticContact CZ-CD1 3.98Å; S136-F141 WeakPolarHBondContact O-CD2 3.48Å; S136-F141 PolarHBondContact O-N 3.14Å; I137-F141 CarbonylContact O-C 3.34Å | ||
| 142 | K | 90.6 | Very high | 95.3 | Very high | 99 Ų | 99 | 58 Ų | 58 | 43% | 0.43 | 30% | 0.304 | S | S | . | . | trans | -110 | 35.5 | 169.5 | -58.3 | -173 | -171.6 | 138 | 0 | 110.3 | Y93 N97 D98 | Y93-K142 PolarHBondContact OH-N 3.27Å; N97-K142 WeakPolarHBondContact ND2-CD 3.38Å; N97-K142 VanDerWaalsContact ND2-CE 3.25Å; N97-K142 WeakPolarHBondContact ND2-CE 3.41Å; N97-K142 PolarHBondContact ND2-NZ 3.08Å; D98-K142 IonicContact OD1-NZ 3.78Å; D98-K142 PolarHBondContact OD1-NZ 3.36Å | ||
| 143 | G | 92.1 | Very high | 95.4 | Very high | 11 Ų | 11 | 59.6 Ų | 59.6 | 11% | 0.113 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 154 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | T119 I137 | T119-G143 WeakPolarHBondContact O-CA 3.48Å; I137-G143 VanDerWaalsContact CG2-O 3.24Å; I137-G143 WeakPolarHBondContact CG2-O 3.5Å |
| 144 | E | 95.8 | Very high | 95.3 | Very high | 76 Ų | 76 | 63 Ų | 63 | 36% | 0.355 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 111.8 | 176.1 | -67.5 | 178.6 | -124.2 | 0 | 0 | 109.4 | T119 L121 I146 W163 Q167 | T119-E144 PolarHBondContact O-N 3.27Å; L121-E144 PolarHBondContact N-O 3.05Å; E144-I146 HydrophobicContact CB-CD1 3.96Å; E144-I146 HydrophobicContact CB-CG1 4.03Å; E144-W163 HydrophobicContact CB-CZ2 4.49Å; E144-W163 VanDerWaalsContact CD-NE1 3.27Å; E144-W163 PolarHBondContact OE1-NE1 2.71Å; E144-W163 PolarHBondContact OE2-NE1 3.5Å; E144-Q167 PolarHBondContact OE1-NE2 3.4Å |
| 145 | L | 96.6 | Very high | 95.3 | Very high | 37 Ų | 37 | 61.9 Ų | 61.9 | 19% | 0.194 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 114.6 | 169.7 | 179 | 65.2 | 0 | 0 | 0 | 109.2 | L121 V123 I129 F133 I137 | L121-L145 HydrophobicContact CB-CD1 4.07Å; V123-L145 HydrophobicContact CB-CD1 4.32Å; V123-L145 HydrophobicContact CG2-CD1 3.69Å; I129-L145 HydrophobicContact CB-CD2 4.48Å; I129-L145 HydrophobicContact CG1-CD2 4.27Å; I129-L145 HydrophobicContact CG2-CD2 3.78Å; F133-L145 HydrophobicContact CD1-CD2 4.37Å; F133-L145 HydrophobicContact CE1-CD1 4.25Å; F133-L145 HydrophobicContact CE1-CD2 4.27Å; I137-L145 HydrophobicContact CG2-CB 4.47Å |
| 146 | I | 97.2 | Very high | 95.4 | Very high | 28 Ų | 28 | 56.7 Ų | 56.7 | 14% | 0.144 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 109.9 | -169.6 | -58.5 | 163.2 | 0 | 0 | 0 | 109.1 | L121 F122 V123 E144 V148 W163 | L121-I146 PolarHBondContact O-N 2.71Å; F122-I146 WeakPolarHBondContact CA-O 3.11Å; F122-I146 HydrophobicContact CD1-CB 3.7Å; F122-I146 HydrophobicContact CD1-CD1 4.02Å; F122-I146 HydrophobicContact CD1-CG1 4.46Å; F122-I146 HydrophobicContact CD1-CG2 3.78Å; F122-I146 HydrophobicContact CE1-CB 3.94Å; F122-I146 HydrophobicContact CE1-CD1 3.4Å; F122-I146 HydrophobicContact CE1-CG1 4.26Å; F122-I146 HydrophobicContact CE1-CG2 3.9Å; F122-I146 HydrophobicContact CZ-CD1 3.77Å; V123-I146 PolarHBondContact N-O 3.02Å; V123-I146 VanDerWaalsContact N-O 3.11Å; E144-I146 HydrophobicContact CB-CD1 3.96Å; E144-I146 HydrophobicContact CB-CG1 4.03Å; I146-V148 HydrophobicContact CG2-CG2 4.17Å; I146-V148 PolarHBondContact O-N 3.15Å; I146-W163 HydrophobicContact CD1-CD2 4.09Å; I146-W163 HydrophobicContact CD1-CG 3.83Å |
| 147 | P | 96.4 | Very high | 95.3 | Very high | 96 Ų | 96 | 56.5 Ų | 56.5 | 62% | 0.623 | 29% | 0.293 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 126.2 | 175.4 | 27.7 | -32.4 | 0 | 0 | 0 | 110.5 | V123 R125 | V123-P147 CarbonylContact O-C 3.53Å; V123-P147 WeakPolarHBondContact O-CA 3.25Å; R125-P147 HydrophobicContact CB-CB 3.75Å |
| 148 | V | 96.9 | Very high | 95.3 | Very high | 4 Ų | 4 | 60.8 Ų | 60.8 | 2% | 0.024 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 144.5 | -178.9 | 177.2 | 0 | 0 | 0 | 0 | 110 | F122 V123 Q124 R125 I146 F150 A156 | F122-V148 HydrophobicContact CB-CG2 4.03Å; F122-V148 HydrophobicContact CD1-CG2 3.66Å; F122-V148 HydrophobicContact CG-CG2 4.32Å; V123-V148 PolarHBondContact O-N 3.07Å; Q124-V148 CarbonylContact C-O 3.46Å; Q124-V148 WeakPolarHBondContact CA-O 3.36Å; Q124-V148 PolarHBondContact OE1-O 2.8Å; R125-V148 PolarHBondContact N-O 2.98Å; I146-V148 HydrophobicContact CG2-CG2 4.17Å; I146-V148 PolarHBondContact O-N 3.15Å; V148-F150 HydrophobicContact CB-CE1 4.38Å; V148-F150 HydrophobicContact CB-CE2 4.11Å; V148-F150 HydrophobicContact CB-CZ 4.04Å; V148-F150 HydrophobicContact CG1-CD1 4.05Å; V148-F150 HydrophobicContact CG1-CE1 3.87Å; V148-F150 HydrophobicContact CG1-CE2 4.36Å; V148-F150 HydrophobicContact CG1-CG 4.36Å; V148-F150 HydrophobicContact CG1-CZ 4.04Å; V148-F150 PolarHBondContact O-N 2.77Å; V148-A156 HydrophobicContact CG1-CB 3.36Å |
| 149 | N | 96.6 | Very high | 95.4 | Very high | 31 Ų | 31 | 54.7 Ų | 54.7 | 17% | 0.166 | 29% | 0.294 | C | S | . | . | trans | -94.6 | 86.1 | 173.1 | -172.3 | 33 | 0 | 0 | 0 | 110.9 | R125 L151 N152 | R125-N149 HydrophobicContact CG-CB 4.2Å; R125-N149 PolarHBondContact NH2-ND2 2.86Å; N149-L151 PolarHBondContact O-N 3.49Å; N149-N152 CarbonylContact O-C 3.51Å; N149-N152 PolarHBondContact O-N 2.89Å | ||
| 150 | F | 97 | Very high | 95.5 | Very high | 1 Ų | 1 | 49.3 Ų | 49.3 | 0% | 0.004 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | -27.7 | -179.6 | -68 | -67.5 | 0 | 0 | 0 | 113 | F122 Q124 V148 N152 R153 A156 I160 I180 D182 T184 I187 | F122-F150 HydrophobicContact CB-CZ 4.18Å; Q124-F150 HydrophobicContact CB-CD2 4.01Å; V148-F150 HydrophobicContact CB-CE1 4.38Å; V148-F150 HydrophobicContact CB-CE2 4.11Å; V148-F150 HydrophobicContact CB-CZ 4.04Å; V148-F150 HydrophobicContact CG1-CD1 4.05Å; V148-F150 HydrophobicContact CG1-CE1 3.87Å; V148-F150 HydrophobicContact CG1-CE2 4.36Å; V148-F150 HydrophobicContact CG1-CG 4.36Å; V148-F150 HydrophobicContact CG1-CZ 4.04Å; V148-F150 PolarHBondContact O-N 2.77Å; F150-N152 CarbonylContact O-C 3.55Å; F150-N152 PolarHBondContact O-N 2.95Å; F150-R153 PolarHBondContact O-N 2.78Å; F150-A156 HydrophobicContact CD1-CB 3.81Å; F150-A156 HydrophobicContact CE1-CB 4.31Å; F150-I160 HydrophobicContact CE1-CD1 4.07Å; F150-I160 HydrophobicContact CZ-CD1 4.37Å; F150-I180 HydrophobicContact CD1-CG2 3.82Å; F150-I180 HydrophobicContact CE1-CD1 4.37Å; F150-I180 HydrophobicContact CE1-CG2 4.01Å; F150-D182 WeakPolarHBondContact O-CA 3.23Å; F150-T184 WeakPolarHBondContact CB-O 3.46Å; F150-T184 HydrophobicContact CD1-CG2 3.77Å; F150-T184 HydrophobicContact CD2-CG2 4.1Å; F150-T184 WeakPolarHBondContact CD2-O 3.39Å; F150-T184 HydrophobicContact CE1-CG2 3.66Å; F150-T184 HydrophobicContact CE2-CG2 3.98Å; F150-T184 HydrophobicContact CG-CG2 3.99Å; F150-T184 WeakPolarHBondContact CG-O 3.4Å; F150-T184 HydrophobicContact CZ-CG2 3.77Å; F150-I187 HydrophobicContact CE1-CD1 4.05Å; F150-I187 HydrophobicContact CE1-CG1 4.4Å; F150-I187 HydrophobicContact CZ-CD1 4.39Å; F150-I187 HydrophobicContact CZ-CG1 4.27Å |
| 151 | L | 95.6 | Very high | 95.4 | Very high | 119 Ų | 119 | 47 Ų | 47 | 62% | 0.623 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | -25.2 | 170.3 | -59.9 | 177.3 | 0 | 0 | 0 | 113.4 | N149 | N149-L151 PolarHBondContact O-N 3.49Š|
| 152 | N | 97 | Very high | 95.4 | Very high | 79 Ų | 79 | 53.4 Ų | 53.4 | 42% | 0.422 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -104 | 82.4 | 166.5 | -173.8 | -24.7 | 0 | 0 | 0 | 109.4 | N149 F150 T154 S155 A156 | N149-N152 CarbonylContact O-C 3.51Å; N149-N152 PolarHBondContact O-N 2.89Å; F150-N152 CarbonylContact O-C 3.55Å; F150-N152 PolarHBondContact O-N 2.95Å; N152-T154 PolarHBondContact O-N 3.03Å; N152-S155 VanDerWaalsContact CG-CB 3.4Å; N152-S155 PolarHBondContact O-N 3.35Å; N152-S155 VanDerWaalsContact O-N 3.08Å; N152-S155 WeakPolarHBondContact OD1-CB 3.15Å; N152-S155 PolarHBondContact OD1-N 3.3Å; N152-S155 VanDerWaalsContact OD1-N 3.14Å; N152-A156 WeakPolarHBondContact O-CB 3.19Å; N152-A156 PolarHBondContact O-N 3.27Å |
| 153 | R | 96.8 | Very high | 95.7 | Very high | 106 Ų | 106 | 49.4 Ų | 49.4 | 40% | 0.4 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -48.5 | -49.3 | -173.7 | -60.8 | -179.3 | 55.1 | -160.6 | -6.6 | 113.9 | F150 A156 T157 D179 I180 D182 | F150-R153 PolarHBondContact O-N 2.78Å; R153-A156 PolarHBondContact O-N 3.47Å; R153-T157 WeakPolarHBondContact O-CB 3.42Å; R153-T157 PolarHBondContact O-N 3.45Å; R153-T157 PolarHBondContact O-OG1 3.12Å; R153-D179 HydrophobicContact CB-CB 4.06Å; R153-D179 PolarHBondContact NH2-O 3.17Å; R153-I180 WeakPolarHBondContact CB-O 3.35Å; R153-I180 WeakPolarHBondContact CG-O 3.34Å; R153-I180 PolarHBondContact NE-O 3.21Å; R153-D182 HydrophobicContact CG-CB 3.75Å |
| 154 | T | 95.5 | Very high | 95.7 | Very high | 70 Ų | 70 | 48.9 Ų | 48.9 | 43% | 0.429 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -65.5 | -45.5 | 179.4 | -43.8 | 0 | 0 | 0 | 0 | 111.7 | N152 A156 T157 L158 D179 | N152-T154 PolarHBondContact O-N 3.03Å; T154-A156 VanDerWaalsContact C-N 3.33Å; T154-A156 PolarHBondContact O-N 3.27Å; T154-T157 PolarHBondContact O-N 2.85Å; T154-L158 HydrophobicContact CG2-CD1 4.28Å; T154-L158 WeakPolarHBondContact O-CG 3.26Å; T154-L158 PolarHBondContact O-N 2.65Å; T154-D179 WeakPolarHBondContact CA-OD1 3.18Å; T154-D179 PolarHBondContact N-OD2 3.09Å; T154-D179 PolarHBondContact OG1-OD2 2.8Å |
| 155 | S | 95.2 | Very high | 95.4 | Very high | 62 Ų | 62 | 47 Ų | 47 | 43% | 0.434 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -64.6 | -38.6 | 178.4 | -175 | 0 | 0 | 0 | 0 | 111.9 | N152 S159 | N152-S155 VanDerWaalsContact CG-CB 3.4Å; N152-S155 PolarHBondContact O-N 3.35Å; N152-S155 VanDerWaalsContact O-N 3.08Å; N152-S155 WeakPolarHBondContact OD1-CB 3.15Å; N152-S155 PolarHBondContact OD1-N 3.3Å; N152-S155 VanDerWaalsContact OD1-N 3.14Å; S155-S159 WeakPolarHBondContact O-CB 3.49Å; S155-S159 PolarHBondContact O-N 3.23Å |
| 156 | A | 96.1 | Very high | 95.2 | Very high | 1 Ų | 1 | 50.7 Ų | 50.7 | 1% | 0.008 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -62 | -49.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | V148 F150 N152 R153 T154 L158 S159 I160 | V148-A156 HydrophobicContact CG1-CB 3.36Å; F150-A156 HydrophobicContact CD1-CB 3.81Å; F150-A156 HydrophobicContact CE1-CB 4.31Å; N152-A156 WeakPolarHBondContact O-CB 3.19Å; N152-A156 PolarHBondContact O-N 3.27Å; R153-A156 PolarHBondContact O-N 3.47Å; T154-A156 VanDerWaalsContact C-N 3.33Å; T154-A156 PolarHBondContact O-N 3.27Å; A156-L158 PolarHBondContact O-N 3.47Å; A156-S159 WeakPolarHBondContact O-CB 3.27Å; A156-S159 PolarHBondContact O-N 2.97Å; A156-S159 VanDerWaalsContact O-N 3.13Å; A156-I160 WeakPolarHBondContact O-CG1 3.38Å; A156-I160 PolarHBondContact O-N 3.29Å |
| 157 | T | 95.5 | Very high | 94.9 | Very high | 6 Ų | 6 | 50.7 Ų | 50.7 | 4% | 0.037 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -57.9 | -48.4 | 178.8 | -53.9 | 0 | 0 | 0 | 0 | 111.6 | R153 T154 S159 I160 N161 F176 D179 I180 | R153-T157 WeakPolarHBondContact O-CB 3.42Å; R153-T157 PolarHBondContact O-N 3.45Å; R153-T157 PolarHBondContact O-OG1 3.12Å; T154-T157 PolarHBondContact O-N 2.85Å; T157-S159 VanDerWaalsContact C-N 3.32Å; T157-S159 PolarHBondContact O-N 3.31Å; T157-I160 PolarHBondContact O-N 3.45Å; T157-N161 WeakPolarHBondContact O-CB 3.3Å; T157-N161 PolarHBondContact O-N 2.77Å; T157-F176 HydrophobicContact CG2-CB 3.69Å; T157-D179 WeakPolarHBondContact OG1-CA 2.96Å; T157-I180 HydrophobicContact CG2-CG1 4.5Å; T157-I180 WeakPolarHBondContact OG1-CG1 3.41Å; T157-I180 PolarHBondContact OG1-N 2.86Å |
| 158 | L | 93.9 | Very high | 94.3 | Very high | 95 Ų | 95 | 46.1 Ų | 46.1 | 50% | 0.497 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -63.2 | -35.9 | 176.5 | -71.1 | 174.3 | 0 | 0 | 0 | 113.1 | T154 A156 R162 | T154-L158 HydrophobicContact CG2-CD1 4.28Å; T154-L158 WeakPolarHBondContact O-CG 3.26Å; T154-L158 PolarHBondContact O-N 2.65Å; A156-L158 PolarHBondContact O-N 3.47Å; L158-R162 VanDerWaalsContact O-CB 3.28Å; L158-R162 WeakPolarHBondContact O-CB 3.47Å; L158-R162 PolarHBondContact O-N 3.18Å |
| 159 | S | 95.1 | Very high | 93.6 | Very high | 41 Ų | 41 | 49.4 Ų | 49.4 | 29% | 0.287 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -65.1 | -45.8 | 177.6 | -167.4 | 0 | 0 | 0 | 0 | 111.6 | S155 A156 T157 W163 | S155-S159 WeakPolarHBondContact O-CB 3.49Å; S155-S159 PolarHBondContact O-N 3.23Å; A156-S159 WeakPolarHBondContact O-CB 3.27Å; A156-S159 PolarHBondContact O-N 2.97Å; A156-S159 VanDerWaalsContact O-N 3.13Å; T157-S159 VanDerWaalsContact C-N 3.32Å; T157-S159 PolarHBondContact O-N 3.31Å; S159-W163 PolarHBondContact O-N 3.47Å; S159-W163 VanDerWaalsContact O-N 3.12Å |
| 160 | I | 95.3 | Very high | 92.8 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -68.9 | -45.1 | 179.1 | -59.1 | -173.7 | 0 | 0 | 0 | 110.6 | F122 F150 A156 T157 R162 W163 V164 F175 F176 I180 I187 V189 | F122-I160 HydrophobicContact CB-CD1 3.96Å; F122-I160 HydrophobicContact CB-CG1 4.45Å; F122-I160 HydrophobicContact CD1-CD1 4.09Å; F122-I160 HydrophobicContact CD1-CG1 3.65Å; F122-I160 HydrophobicContact CD2-CD1 4.1Å; F122-I160 HydrophobicContact CD2-CG1 4.26Å; F122-I160 HydrophobicContact CD2-CG2 4.3Å; F122-I160 HydrophobicContact CE1-CB 4.31Å; F122-I160 HydrophobicContact CE1-CG1 3.82Å; F122-I160 HydrophobicContact CE1-CG2 4.35Å; F122-I160 HydrophobicContact CE2-CG1 4.45Å; F122-I160 HydrophobicContact CE2-CG2 3.89Å; F122-I160 HydrophobicContact CG-CD1 3.77Å; F122-I160 HydrophobicContact CG-CG1 3.85Å; F122-I160 HydrophobicContact CZ-CB 4.35Å; F122-I160 HydrophobicContact CZ-CG1 4.22Å; F122-I160 HydrophobicContact CZ-CG2 3.9Å; F150-I160 HydrophobicContact CE1-CD1 4.07Å; F150-I160 HydrophobicContact CZ-CD1 4.37Å; A156-I160 WeakPolarHBondContact O-CG1 3.38Å; A156-I160 PolarHBondContact O-N 3.29Å; T157-I160 PolarHBondContact O-N 3.45Å; I160-R162 VanDerWaalsContact C-N 3.3Å; I160-R162 PolarHBondContact O-N 3.47Å; I160-W163 PolarHBondContact O-N 2.79Å; I160-W163 VanDerWaalsContact O-N 3.13Å; I160-V164 HydrophobicContact CG2-CG2 4.38Å; I160-V164 WeakPolarHBondContact O-CG2 3.32Å; I160-V164 PolarHBondContact O-N 2.88Å; I160-F175 HydrophobicContact CG2-CD1 4.23Å; I160-F175 HydrophobicContact CG2-CE1 4.17Å; I160-F176 HydrophobicContact CB-CD2 4.49Å; I160-F176 HydrophobicContact CD1-CE2 4.33Å; I160-F176 HydrophobicContact CG2-CD2 4.22Å; I160-F176 HydrophobicContact CG2-CE2 3.97Å; I160-I180 HydrophobicContact CD1-CD1 3.66Å; I160-I180 HydrophobicContact CG1-CD1 4.42Å; I160-I187 HydrophobicContact CD1-CB 4.42Å; I160-I187 HydrophobicContact CD1-CD1 4.04Å; I160-V189 HydrophobicContact CG2-CG2 4.22Å |
| 161 | N | 94.2 | Very high | 91.9 | Very high | 17 Ų | 17 | 51.5 Ų | 51.5 | 9% | 0.091 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -57.6 | -43.6 | 176.9 | -75.3 | 1.7 | 0 | 0 | 0 | 111.6 | T157 W163 V164 D165 F175 F176 | T157-N161 WeakPolarHBondContact O-CB 3.3Å; T157-N161 PolarHBondContact O-N 2.77Å; N161-W163 PolarHBondContact O-N 2.75Å; N161-V164 PolarHBondContact O-N 3.34Å; N161-D165 WeakPolarHBondContact O-CB 3.3Å; N161-D165 PolarHBondContact O-N 2.93Å; N161-F175 WeakPolarHBondContact OD1-CB 3.3Å; N161-F176 PolarHBondContact ND2-O 2.94Å; N161-F176 PolarHBondContact OD1-N 2.73Å |
| 162 | R | 94.7 | Very high | 91 | Very high | 142 Ų | 142 | 46.8 Ų | 46.8 | 54% | 0.536 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -61.9 | -42.5 | 176.5 | -175.1 | -178.3 | -60.2 | 116.7 | 3.3 | 112.2 | L158 I160 D165 Q166 | L158-R162 VanDerWaalsContact O-CB 3.28Å; L158-R162 WeakPolarHBondContact O-CB 3.47Å; L158-R162 PolarHBondContact O-N 3.18Å; I160-R162 VanDerWaalsContact C-N 3.3Å; I160-R162 PolarHBondContact O-N 3.47Å; R162-D165 PolarHBondContact O-N 3.24Å; R162-Q166 VanDerWaalsContact O-CG 3.26Å; R162-Q166 WeakPolarHBondContact O-CG 3.41Å; R162-Q166 PolarHBondContact O-N 3.47Å |
| 163 | W | 95.6 | Very high | 89.7 | Confident | 15 Ų | 15 | 49.4 Ų | 49.4 | 6% | 0.057 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -63.5 | -47.1 | 177.3 | -176.5 | 87.8 | 0 | 0 | 0 | 110.8 | F122 E144 I146 S159 I160 N161 D165 Q166 Q167 V189 V191 | F122-W163 HydrophobicContact CE1-CB 4.14Å; F122-W163 HydrophobicContact CE1-CD2 4.47Å; F122-W163 HydrophobicContact CE1-CG 4.22Å; F122-W163 HydrophobicContact CE2-CE3 4.08Å; F122-W163 HydrophobicContact CE2-CZ3 4.41Å; F122-W163 HydrophobicContact CZ-CB 3.93Å; F122-W163 AromaticContact CZ-CD2 3.67Å; F122-W163 HydrophobicContact CZ-CD2 3.67Å; F122-W163 AromaticContact CZ-CE3 3.59Å; F122-W163 HydrophobicContact CZ-CE3 3.59Å; F122-W163 AromaticContact CZ-CG 3.83Å; F122-W163 HydrophobicContact CZ-CG 3.83Å; F122-W163 HydrophobicContact CZ-CZ3 4.32Å; E144-W163 HydrophobicContact CB-CZ2 4.49Å; E144-W163 VanDerWaalsContact CD-NE1 3.27Å; E144-W163 PolarHBondContact OE1-NE1 2.71Å; E144-W163 PolarHBondContact OE2-NE1 3.5Å; I146-W163 HydrophobicContact CD1-CD2 4.09Å; I146-W163 HydrophobicContact CD1-CG 3.83Å; S159-W163 PolarHBondContact O-N 3.47Å; S159-W163 VanDerWaalsContact O-N 3.12Å; I160-W163 PolarHBondContact O-N 2.79Å; I160-W163 VanDerWaalsContact O-N 3.13Å; N161-W163 PolarHBondContact O-N 2.75Å; W163-D165 VanDerWaalsContact C-N 3.3Å; W163-D165 PolarHBondContact O-N 3.01Å; W163-Q166 PolarHBondContact O-N 3.09Å; W163-Q167 HydrophobicContact CD2-CG 3.71Å; W163-Q167 VanDerWaalsContact CE2-CG 3.49Å; W163-Q167 HydrophobicContact CE3-CG 3.96Å; W163-Q167 HydrophobicContact CG-CG 4.37Å; W163-Q167 HydrophobicContact CH2-CG 3.81Å; W163-Q167 HydrophobicContact CZ2-CG 3.56Å; W163-Q167 HydrophobicContact CZ3-CG 4.02Å; W163-Q167 VanDerWaalsContact O-CG 3.23Å; W163-Q167 WeakPolarHBondContact O-CG 3.44Å; W163-Q167 PolarHBondContact O-N 2.91Å; W163-V189 HydrophobicContact CZ3-CB 4.23Å; W163-V189 HydrophobicContact CZ3-CG1 4.28Å; W163-V191 HydrophobicContact CE3-CG2 4.49Å; W163-V191 HydrophobicContact CH2-CG2 4.27Å; W163-V191 HydrophobicContact CZ3-CG2 3.69Å |
| 164 | V | 92.5 | Very high | 88.5 | Confident | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -59.1 | -42.5 | 177.2 | 172.3 | 0 | 0 | 0 | 0 | 111.7 | I160 N161 Q167 S168 L172 F175 V189 V191 T343 | I160-V164 HydrophobicContact CG2-CG2 4.38Å; I160-V164 WeakPolarHBondContact O-CG2 3.32Å; I160-V164 PolarHBondContact O-N 2.88Å; N161-V164 PolarHBondContact O-N 3.34Å; V164-Q167 PolarHBondContact O-N 2.99Å; V164-S168 VanDerWaalsContact O-CB 3.27Å; V164-S168 WeakPolarHBondContact O-CB 3.41Å; V164-S168 PolarHBondContact O-N 3.13Å; V164-S168 PolarHBondContact O-OG 2.79Å; V164-L172 HydrophobicContact CG1-CB 3.94Å; V164-L172 HydrophobicContact CG1-CD1 4.24Å; V164-F175 HydrophobicContact CB-CB 4.15Å; V164-F175 HydrophobicContact CB-CG 4.24Å; V164-F175 HydrophobicContact CG1-CB 3.94Å; V164-F175 HydrophobicContact CG1-CD2 3.91Å; V164-F175 HydrophobicContact CG1-CG 4.03Å; V164-F175 HydrophobicContact CG2-CB 4.32Å; V164-F175 HydrophobicContact CG2-CD1 3.99Å; V164-F175 HydrophobicContact CG2-CD2 4.16Å; V164-F175 HydrophobicContact CG2-CE1 4.27Å; V164-F175 HydrophobicContact CG2-CE2 4.42Å; V164-F175 HydrophobicContact CG2-CG 3.91Å; V164-F175 HydrophobicContact CG2-CZ 4.47Å; V164-V189 HydrophobicContact CG2-CG1 3.86Å; V164-V191 HydrophobicContact CG1-CG2 4.37Å; V164-V191 HydrophobicContact CG2-CG2 4.44Å; V164-T343 HydrophobicContact CG1-CG2 3.88Å |
| 165 | D | 90.6 | Very high | 88.1 | Confident | 36 Ų | 36 | 49.1 Ų | 49.1 | 19% | 0.193 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -61.7 | -45.9 | 177.8 | -170.7 | 61.5 | 0 | 0 | 0 | 112.2 | N161 R162 W163 Q167 S168 N169 G170 E173 | N161-D165 WeakPolarHBondContact O-CB 3.3Å; N161-D165 PolarHBondContact O-N 2.93Å; R162-D165 PolarHBondContact O-N 3.24Å; W163-D165 VanDerWaalsContact C-N 3.3Å; W163-D165 PolarHBondContact O-N 3.01Å; D165-Q167 PolarHBondContact O-N 3.01Å; D165-S168 WeakPolarHBondContact CA-OG 3.37Å; D165-S168 CarbonylContact O-C 3.58Å; D165-S168 PolarHBondContact O-N 3.42Å; D165-S168 VanDerWaalsContact O-N 3.12Å; D165-S168 PolarHBondContact O-OG 3.02Å; D165-N169 PolarHBondContact O-N 2.91Å; D165-N169 VanDerWaalsContact O-N 3.15Å; D165-G170 PolarHBondContact O-N 3.35Å; D165-G170 WeakPolarHBondContact OD1-CA 3.34Å; D165-E173 WeakPolarHBondContact OD1-CA 3.49Å; D165-E173 VanDerWaalsContact OD1-CG 3.23Å; D165-E173 WeakPolarHBondContact OD1-CG 3.44Å; D165-E173 PolarHBondContact OD1-N 2.94Å |
| 166 | Q | 92.1 | Very high | 87.8 | Confident | 115 Ų | 115 | 47.8 Ų | 47.8 | 54% | 0.537 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -60.4 | -45.8 | 175 | -72.5 | 171.2 | -11 | 0 | 0 | 112.1 | R162 W163 S168 N169 | R162-Q166 VanDerWaalsContact O-CG 3.26Å; R162-Q166 WeakPolarHBondContact O-CG 3.41Å; R162-Q166 PolarHBondContact O-N 3.47Å; W163-Q166 PolarHBondContact O-N 3.09Å; Q166-S168 PolarHBondContact O-N 3.13Å; Q166-N169 PolarHBondContact O-N 3.12Å |
| 167 | Q | 91 | Very high | 87.3 | Confident | 29 Ų | 29 | 54.5 Ų | 54.5 | 14% | 0.136 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -71.7 | -9.3 | 179.3 | -59.7 | -60.4 | -28.1 | 0 | 0 | 113.4 | R116 S118 E144 W163 V164 D165 V191 | R116-Q167 VanDerWaalsContact CZ-O 3.27Å; R116-Q167 PolarHBondContact NE-O 3.41Å; R116-Q167 VanDerWaalsContact NH2-C 3.28Å; R116-Q167 PolarHBondContact NH2-O 3.25Å; S118-Q167 PolarHBondContact OG-OE1 3.4Å; E144-Q167 PolarHBondContact OE1-NE2 3.4Å; W163-Q167 HydrophobicContact CD2-CG 3.71Å; W163-Q167 VanDerWaalsContact CE2-CG 3.49Å; W163-Q167 HydrophobicContact CE3-CG 3.96Å; W163-Q167 HydrophobicContact CG-CG 4.37Å; W163-Q167 HydrophobicContact CH2-CG 3.81Å; W163-Q167 HydrophobicContact CZ2-CG 3.56Å; W163-Q167 HydrophobicContact CZ3-CG 4.02Å; W163-Q167 VanDerWaalsContact O-CG 3.23Å; W163-Q167 WeakPolarHBondContact O-CG 3.44Å; W163-Q167 PolarHBondContact O-N 2.91Å; V164-Q167 PolarHBondContact O-N 2.99Å; D165-Q167 PolarHBondContact O-N 3.01Å; Q167-V191 HydrophobicContact CB-CB 4.1Å; Q167-V191 HydrophobicContact CB-CG1 4.08Å; Q167-V191 HydrophobicContact CB-CG2 4.06Å |
| 168 | S | 83.1 | Confident | 87 | Confident | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -113.1 | 11.2 | 178 | 65.6 | 0 | 0 | 0 | 0 | 113.8 | V164 D165 Q166 G170 L171 L172 | V164-S168 VanDerWaalsContact O-CB 3.27Å; V164-S168 WeakPolarHBondContact O-CB 3.41Å; V164-S168 PolarHBondContact O-N 3.13Å; V164-S168 PolarHBondContact O-OG 2.79Å; D165-S168 WeakPolarHBondContact CA-OG 3.37Å; D165-S168 CarbonylContact O-C 3.58Å; D165-S168 PolarHBondContact O-N 3.42Å; D165-S168 VanDerWaalsContact O-N 3.12Å; D165-S168 PolarHBondContact O-OG 3.02Å; Q166-S168 PolarHBondContact O-N 3.13Å; S168-G170 VanDerWaalsContact C-N 3.31Å; S168-G170 PolarHBondContact O-N 2.84Å; S168-L171 WeakPolarHBondContact O-CB 3.4Å; S168-L171 WeakPolarHBondContact O-CG 3.44Å; S168-L171 PolarHBondContact O-N 3.44Å; S168-L172 WeakPolarHBondContact OG-CB 3.48Å; S168-L172 PolarHBondContact OG-N 3.47Å |
| 169 | N | 81.5 | Confident | 87 | Confident | 73 Ų | 73 | 58.8 Ų | 58.8 | 39% | 0.39 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.7 | 38.8 | -177.3 | -64.8 | -10.5 | 0 | 0 | 0 | 113.4 | R116 D165 Q166 Y193 | R116-N169 PolarHBondContact NH1-OD1 2.84Å; R116-N169 VanDerWaalsContact NH2-CG 3.32Å; R116-N169 PolarHBondContact NH2-OD1 3.09Å; D165-N169 PolarHBondContact O-N 2.91Å; D165-N169 VanDerWaalsContact O-N 3.15Å; Q166-N169 PolarHBondContact O-N 3.12Å; N169-Y193 WeakPolarHBondContact ND2-CE1 3.36Å; N169-Y193 PolarHBondContact ND2-OH 3.44Å |
| 170 | G | 81.4 | Confident | 86.9 | Confident | 35 Ų | 35 | 57.2 Ų | 57.2 | 36% | 0.361 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.3 | 9.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | D165 S168 | D165-G170 PolarHBondContact O-N 3.35Å; D165-G170 WeakPolarHBondContact OD1-CA 3.34Å; S168-G170 VanDerWaalsContact C-N 3.31Å; S168-G170 PolarHBondContact O-N 2.84Å |
| 171 | L | 77.1 | Confident | 86.9 | Confident | 41 Ų | 41 | 60.4 Ų | 60.4 | 22% | 0.215 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -93.1 | -7.5 | -172 | -66.7 | 171.9 | 0 | 0 | 0 | 113.4 | S168 Y193 K301 I345 E354 | S168-L171 WeakPolarHBondContact O-CB 3.4Å; S168-L171 WeakPolarHBondContact O-CG 3.44Å; S168-L171 PolarHBondContact O-N 3.44Å; L171-Y193 HydrophobicContact CD1-CE2 3.92Å; L171-K301 PolarHBondContact O-NZ 3.14Å; L171-I345 HydrophobicContact CB-CD1 3.47Å; L171-I345 VanDerWaalsContact CB-CD1 3.47Å; L171-I345 HydrophobicContact CB-CG1 4.46Å; L171-I345 HydrophobicContact CD1-CD1 3.88Å; L171-I345 HydrophobicContact CD1-CG2 4.24Å; L171-I345 HydrophobicContact CG-CD1 4.33Å; L171-E354 WeakPolarHBondContact CD1-OE1 3.23Å |
| 172 | L | 77.4 | Confident | 86.9 | Confident | 19 Ų | 19 | 63.8 Ų | 63.8 | 10% | 0.099 | 32% | 0.32 | C | S | . | . | trans | -138.6 | 49.6 | -172.5 | -66.9 | 167.4 | 0 | 0 | 0 | 113.4 | V164 S168 K174 K301 T343 I345 | V164-L172 HydrophobicContact CG1-CB 3.94Å; V164-L172 HydrophobicContact CG1-CD1 4.24Å; S168-L172 WeakPolarHBondContact OG-CB 3.48Å; S168-L172 PolarHBondContact OG-N 3.47Å; L172-K174 PolarHBondContact O-N 3.39Å; L172-K174 VanDerWaalsContact O-N 3.11Å; L172-K301 HydrophobicContact CD2-CB 4.3Å; L172-K301 HydrophobicContact CD2-CD 4.18Å; L172-T343 HydrophobicContact CD1-CG2 3.52Å; L172-T343 WeakPolarHBondContact CD1-OG1 3.28Å; L172-I345 HydrophobicContact CD1-CD1 3.67Å; L172-I345 HydrophobicContact CD1-CG1 3.82Å; L172-I345 HydrophobicContact CD2-CG1 4.33Å; L172-I345 HydrophobicContact CG-CD1 3.84Å; L172-I345 HydrophobicContact CG-CG1 4.04Å | ||
| 173 | E | 69.7 | Low | 86.8 | Confident | 135 Ų | 135 | 62.3 Ų | 62.3 | 63% | 0.631 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -28.1 | -178.9 | -64.4 | -178.4 | 174.8 | 0 | 0 | 115 | D165 | D165-E173 WeakPolarHBondContact OD1-CA 3.49Å; D165-E173 VanDerWaalsContact OD1-CG 3.23Å; D165-E173 WeakPolarHBondContact OD1-CG 3.44Å; D165-E173 PolarHBondContact OD1-N 2.94Å |
| 174 | K | 71.9 | Confident | 86.8 | Confident | 153 Ų | 153 | 61.9 Ų | 61.9 | 67% | 0.665 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.4 | 58.4 | -172.9 | -61.9 | -174 | -178.5 | 178 | 0 | 112.8 | L172 M177 | L172-K174 PolarHBondContact O-N 3.39Å; L172-K174 VanDerWaalsContact O-N 3.11Å; K174-M177 HydrophobicContact CB-SD 3.66Å; K174-M177 HydrophobicContact CD-CE 4.39Å; K174-M177 HydrophobicContact CD-SD 4.19Å; K174-M177 HydrophobicContact CG-SD 4.46Å |
| 175 | F | 85.5 | Confident | 86.7 | Confident | 17 Ų | 17 | 62.1 Ų | 62.1 | 8% | 0.075 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -67.2 | -54.8 | -178.4 | 173.6 | -101.7 | 0 | 0 | 0 | 113.1 | I160 N161 V164 V189 T303 M341 T343 | I160-F175 HydrophobicContact CG2-CD1 4.23Å; I160-F175 HydrophobicContact CG2-CE1 4.17Å; N161-F175 WeakPolarHBondContact OD1-CB 3.3Å; V164-F175 HydrophobicContact CB-CB 4.15Å; V164-F175 HydrophobicContact CB-CG 4.24Å; V164-F175 HydrophobicContact CG1-CB 3.94Å; V164-F175 HydrophobicContact CG1-CD2 3.91Å; V164-F175 HydrophobicContact CG1-CG 4.03Å; V164-F175 HydrophobicContact CG2-CB 4.32Å; V164-F175 HydrophobicContact CG2-CD1 3.99Å; V164-F175 HydrophobicContact CG2-CD2 4.16Å; V164-F175 HydrophobicContact CG2-CE1 4.27Å; V164-F175 HydrophobicContact CG2-CE2 4.42Å; V164-F175 HydrophobicContact CG2-CG 3.91Å; V164-F175 HydrophobicContact CG2-CZ 4.47Å; F175-V189 HydrophobicContact CE1-CG1 4.33Å; F175-V189 HydrophobicContact CE1-CG2 4.03Å; F175-V189 HydrophobicContact CE2-CG1 4.08Å; F175-V189 HydrophobicContact CZ-CG1 3.69Å; F175-V189 HydrophobicContact CZ-CG2 3.97Å; F175-T303 HydrophobicContact CD2-CG2 3.84Å; F175-T303 HydrophobicContact CE2-CG2 3.37Å; F175-T303 HydrophobicContact CZ-CG2 4.11Å; F175-M341 HydrophobicContact CE1-CG 4.42Å; F175-M341 HydrophobicContact CE2-CB 4.21Å; F175-M341 HydrophobicContact CZ-CB 3.52Å; F175-M341 HydrophobicContact CZ-CE 4.39Å; F175-M341 HydrophobicContact CZ-CG 3.82Å; F175-T343 HydrophobicContact CD2-CG2 4.35Å; F175-T343 HydrophobicContact CE2-CG2 4.25Å |
| 176 | F | 88.9 | Confident | 87.1 | Confident | 34 Ų | 34 | 60.4 Ų | 60.4 | 15% | 0.149 | 31% | 0.314 | C | S | . | . | trans | -97.8 | 126.2 | 164.2 | -73.3 | -61 | 0 | 0 | 0 | 109.8 | T157 I160 N161 I180 I187 M341 | T157-F176 HydrophobicContact CG2-CB 3.69Å; I160-F176 HydrophobicContact CB-CD2 4.49Å; I160-F176 HydrophobicContact CD1-CE2 4.33Å; I160-F176 HydrophobicContact CG2-CD2 4.22Å; I160-F176 HydrophobicContact CG2-CE2 3.97Å; N161-F176 PolarHBondContact ND2-O 2.94Å; N161-F176 PolarHBondContact OD1-N 2.73Å; F176-I180 HydrophobicContact CD2-CD1 3.65Å; F176-I180 HydrophobicContact CD2-CG1 3.95Å; F176-I180 HydrophobicContact CE2-CD1 3.67Å; F176-I180 HydrophobicContact CE2-CG1 4.09Å; F176-I180 HydrophobicContact CG-CD1 4.41Å; F176-I180 HydrophobicContact CG-CG1 4.23Å; F176-I180 HydrophobicContact CZ-CD1 4.46Å; F176-I187 HydrophobicContact CE2-CD1 4.16Å; F176-I187 HydrophobicContact CZ-CD1 4.06Å; F176-I187 HydrophobicContact CZ-CG2 4.46Å; F176-M341 HydrophobicContact CZ-CG 4.38Å | ||
| 177 | M | 85.8 | Confident | 87.4 | Confident | 141 Ų | 141 | 55 Ų | 55 | 70% | 0.695 | 29% | 0.289 | S | S | * | . | S | Bend | trans | -87.3 | -30.6 | 177.8 | -62.2 | -63.8 | -76.2 | 0 | 0 | 112.2 | K174 | K174-M177 HydrophobicContact CB-SD 3.66Å; K174-M177 HydrophobicContact CD-CE 4.39Å; K174-M177 HydrophobicContact CD-SD 4.19Å; K174-M177 HydrophobicContact CG-SD 4.46Å |
| 178 | D | 90.4 | Very high | 87.8 | Confident | 132 Ų | 132 | 53.6 Ų | 53.6 | 71% | 0.706 | 28% | 0.282 | S | S | * | . | S | Bend | trans | -113.3 | 156.1 | -180 | -61 | -58.9 | 0 | 0 | 0 | 110.9 | I180 | D178-I180 PolarHBondContact O-N 2.89Š|
| 179 | D | 92.6 | Very high | 88.5 | Confident | 60 Ų | 60 | 53.6 Ų | 53.6 | 32% | 0.321 | 28% | 0.282 | S | S | . | . | P | Polyproline II helix | trans | -65.6 | 123.3 | 178.3 | -89 | 3.2 | 0 | 0 | 0 | 111.9 | R153 T154 T157 | R153-D179 HydrophobicContact CB-CB 4.06Å; R153-D179 PolarHBondContact NH2-O 3.17Å; T154-D179 WeakPolarHBondContact CA-OD1 3.18Å; T154-D179 PolarHBondContact N-OD2 3.09Å; T154-D179 PolarHBondContact OG1-OD2 2.8Å; T157-D179 WeakPolarHBondContact OG1-CA 2.96Å |
| 180 | I | 93.3 | Very high | 89.3 | Confident | 8 Ų | 8 | 50.1 Ų | 50.1 | 4% | 0.041 | 26% | 0.264 | C | S | . | . | P | Polyproline II helix | trans | -54.9 | 139.2 | 175.7 | -61.6 | 166 | 0 | 0 | 0 | 110.2 | F150 R153 T157 I160 F176 D178 T184 I187 | F150-I180 HydrophobicContact CD1-CG2 3.82Å; F150-I180 HydrophobicContact CE1-CD1 4.37Å; F150-I180 HydrophobicContact CE1-CG2 4.01Å; R153-I180 WeakPolarHBondContact CB-O 3.35Å; R153-I180 WeakPolarHBondContact CG-O 3.34Å; R153-I180 PolarHBondContact NE-O 3.21Å; T157-I180 HydrophobicContact CG2-CG1 4.5Å; T157-I180 WeakPolarHBondContact OG1-CG1 3.41Å; T157-I180 PolarHBondContact OG1-N 2.86Å; I160-I180 HydrophobicContact CD1-CD1 3.66Å; I160-I180 HydrophobicContact CG1-CD1 4.42Å; F176-I180 HydrophobicContact CD2-CD1 3.65Å; F176-I180 HydrophobicContact CD2-CG1 3.95Å; F176-I180 HydrophobicContact CE2-CD1 3.67Å; F176-I180 HydrophobicContact CE2-CG1 4.09Å; F176-I180 HydrophobicContact CG-CD1 4.41Å; F176-I180 HydrophobicContact CG-CG1 4.23Å; F176-I180 HydrophobicContact CZ-CD1 4.46Å; D178-I180 PolarHBondContact O-N 2.89Å; I180-T184 HydrophobicContact CG2-CG2 4.1Å; I180-T184 VanDerWaalsContact CG2-OG1 3.26Å; I180-T184 WeakPolarHBondContact CG2-OG1 3.41Å; I180-I187 HydrophobicContact CD1-CD1 3.96Å; I180-I187 HydrophobicContact CG1-CD1 4.41Å; I180-I187 HydrophobicContact CG2-CD1 3.93Å |
| 181 | P | 95 | Very high | 89.9 | Confident | 67 Ų | 67 | 48.5 Ų | 48.5 | 44% | 0.435 | 25% | 0.247 | S | C | . | . | P | Polyproline II helix | trans | -58.2 | 146.7 | 175.8 | -26 | 36.5 | 0 | 0 | 0 | 113.6 | D183 T184 | P181-D183 VanDerWaalsContact C-N 3.32Å; P181-D183 WeakPolarHBondContact CB-OD1 3.4Å; P181-D183 PolarHBondContact O-N 2.91Å; P181-T184 WeakPolarHBondContact O-CB 3.32Å; P181-T184 PolarHBondContact O-N 2.83Å; P181-T184 PolarHBondContact O-OG1 2.93Å |
| 182 | D | 94.7 | Very high | 90.7 | Very high | 88 Ų | 88 | 46.6 Ų | 46.6 | 47% | 0.471 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | -16.2 | -177 | 52.6 | -4.9 | 0 | 0 | 0 | 114.5 | F150 R153 T184 | F150-D182 WeakPolarHBondContact O-CA 3.23Å; R153-D182 HydrophobicContact CG-CB 3.75Å; D182-T184 VanDerWaalsContact C-N 3.3Å |
| 183 | D | 93.6 | Very high | 91.2 | Very high | 111 Ų | 111 | 46 Ų | 46 | 59% | 0.594 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85 | 1 | 172.8 | 64.2 | -23.7 | 0 | 0 | 0 | 113.8 | P181 G185 | P181-D183 VanDerWaalsContact C-N 3.32Å; P181-D183 WeakPolarHBondContact CB-OD1 3.4Å; P181-D183 PolarHBondContact O-N 2.91Å; D183-G185 PolarHBondContact O-N 3.36Å |
| 184 | T | 95.4 | Very high | 92.3 | Very high | 6 Ų | 6 | 39.7 Ų | 39.7 | 4% | 0.037 | 20% | 0.204 | C | C | . | . | trans | -61.5 | 125.9 | 176.3 | -58.6 | 0 | 0 | 0 | 0 | 110.8 | F150 I180 P181 D182 I187 D338 | F150-T184 WeakPolarHBondContact CB-O 3.46Å; F150-T184 HydrophobicContact CD1-CG2 3.77Å; F150-T184 HydrophobicContact CD2-CG2 4.1Å; F150-T184 WeakPolarHBondContact CD2-O 3.39Å; F150-T184 HydrophobicContact CE1-CG2 3.66Å; F150-T184 HydrophobicContact CE2-CG2 3.98Å; F150-T184 HydrophobicContact CG-CG2 3.99Å; F150-T184 WeakPolarHBondContact CG-O 3.4Å; F150-T184 HydrophobicContact CZ-CG2 3.77Å; I180-T184 HydrophobicContact CG2-CG2 4.1Å; I180-T184 VanDerWaalsContact CG2-OG1 3.26Å; I180-T184 WeakPolarHBondContact CG2-OG1 3.41Å; P181-T184 WeakPolarHBondContact O-CB 3.32Å; P181-T184 PolarHBondContact O-N 2.83Å; P181-T184 PolarHBondContact O-OG1 2.93Å; D182-T184 VanDerWaalsContact C-N 3.3Å; T184-I187 HydrophobicContact CG2-CD1 3.89Å; T184-I187 HydrophobicContact CG2-CG1 3.66Å; T184-D338 HydrophobicContact CG2-CB 4.06Å | ||
| 185 | G | 90.5 | Very high | 93.2 | Very high | 4 Ų | 4 | 33.4 Ų | 33.4 | 4% | 0.041 | 18% | 0.176 | C | C | . | . | trans | -95.6 | -42.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q124 D183 D338 | Q124-G185 PolarHBondContact N-O 3.01Å; D183-G185 PolarHBondContact O-N 3.36Å; G185-D338 PolarHBondContact N-OD2 3.03Å | ||
| 186 | M | 97.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.2 | 133.9 | -176 | -176.1 | 170.7 | -177.8 | 0 | 0 | 114.1 | L53 L121 F122 V123 L188 L326 I329 L335 Y336 V337 D338 | L53-M186 HydrophobicContact CD2-CE 3.84Å; L121-M186 HydrophobicContact CB-CE 4.31Å; L121-M186 HydrophobicContact CD2-CE 4.04Å; F122-M186 CarbonylContact O-C 3.59Å; F122-M186 VanDerWaalsContact O-CA 3.25Å; F122-M186 WeakPolarHBondContact O-CA 3.05Å; V123-M186 HydrophobicContact CG2-CE 4.23Å; V123-M186 HydrophobicContact CG2-CG 3.98Å; V123-M186 HydrophobicContact CG2-SD 4.07Å; M186-L188 HydrophobicContact CE-CD1 4.46Å; M186-L188 HydrophobicContact CE-CD2 3.46Å; M186-L188 VanDerWaalsContact CE-CD2 3.46Å; M186-L188 HydrophobicContact CE-CG 4.05Å; M186-L326 HydrophobicContact SD-CD1 4.16Å; M186-I329 HydrophobicContact CE-CD1 3.9Å; M186-I329 HydrophobicContact SD-CD1 3.98Å; M186-L335 HydrophobicContact CB-CD1 3.93Å; M186-L335 HydrophobicContact CB-CG 4.38Å; M186-L335 HydrophobicContact SD-CD2 3.89Å; M186-L335 HydrophobicContact SD-CG 4.36Å; M186-Y336 WeakPolarHBondContact CB-O 3.36Å; M186-V337 HydrophobicContact CG-CG2 4.4Å; M186-V337 HydrophobicContact SD-CG2 4.17Å; M186-D338 PolarHBondContact N-OD2 3.45Å; M186-D338 PolarHBondContact O-N 2.98Å |
| 187 | I | 98.6 | Very high | 93.9 | Very high | 1 Ų | 1 | 32.3 Ų | 32.3 | 1% | 0.005 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 133.7 | 171.3 | -61.8 | -176.2 | 0 | 0 | 0 | 109.3 | F122 F150 I160 F176 I180 T184 V189 K339 | F122-I187 HydrophobicContact CB-CB 4.33Å; F122-I187 PolarHBondContact N-O 3.01Å; F122-I187 PolarHBondContact O-N 2.95Å; F150-I187 HydrophobicContact CE1-CD1 4.05Å; F150-I187 HydrophobicContact CE1-CG1 4.4Å; F150-I187 HydrophobicContact CZ-CD1 4.39Å; F150-I187 HydrophobicContact CZ-CG1 4.27Å; I160-I187 HydrophobicContact CD1-CB 4.42Å; I160-I187 HydrophobicContact CD1-CD1 4.04Å; F176-I187 HydrophobicContact CE2-CD1 4.16Å; F176-I187 HydrophobicContact CZ-CD1 4.06Å; F176-I187 HydrophobicContact CZ-CG2 4.46Å; I180-I187 HydrophobicContact CD1-CD1 3.96Å; I180-I187 HydrophobicContact CG1-CD1 4.41Å; I180-I187 HydrophobicContact CG2-CD1 3.93Å; T184-I187 HydrophobicContact CG2-CD1 3.89Å; T184-I187 HydrophobicContact CG2-CG1 3.66Å; I187-V189 HydrophobicContact CG2-CG2 3.78Å; I187-K339 HydrophobicContact CB-CB 4.45Å; I187-K339 HydrophobicContact CD1-CB 4.39Å; I187-K339 HydrophobicContact CD1-CG 4.46Å; I187-K339 HydrophobicContact CG1-CB 4.06Å; I187-K339 HydrophobicContact CG2-CB 3.98Å |
| 188 | L | 98.7 | Very high | 94.3 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 127.6 | 171.8 | -67.8 | 177.1 | 0 | 0 | 0 | 109.5 | T49 L53 L121 M186 V337 K339 F340 M341 | T49-L188 HydrophobicContact CG2-CB 3.99Å; T49-L188 HydrophobicContact CG2-CD1 4.03Å; T49-L188 HydrophobicContact CG2-CD2 4.34Å; T49-L188 HydrophobicContact CG2-CG 4.36Å; L53-L188 HydrophobicContact CD1-CD1 3.51Å; L53-L188 HydrophobicContact CD2-CD1 4.22Å; L53-L188 HydrophobicContact CD2-CD2 4.48Å; L53-L188 HydrophobicContact CG-CD1 4.14Å; L121-L188 HydrophobicContact CB-CD2 4.03Å; L121-L188 HydrophobicContact CD2-CD2 3.98Å; L121-L188 HydrophobicContact CG-CD2 3.59Å; M186-L188 HydrophobicContact CE-CD1 4.46Å; M186-L188 HydrophobicContact CE-CD2 3.46Å; M186-L188 VanDerWaalsContact CE-CD2 3.46Å; M186-L188 HydrophobicContact CE-CG 4.05Å; L188-V337 HydrophobicContact CD1-CG1 4.06Å; L188-V337 HydrophobicContact CD1-CG2 3.76Å; L188-V337 HydrophobicContact CG-CG1 4.16Å; L188-V337 HydrophobicContact CG-CG2 4.25Å; L188-K339 PolarHBondContact N-O 2.72Å; L188-F340 HydrophobicContact CB-CD2 4.14Å; L188-F340 HydrophobicContact CB-CG 4.33Å; L188-F340 HydrophobicContact CD1-CD2 3.75Å; L188-F340 HydrophobicContact CD1-CE2 3.9Å; L188-M341 PolarHBondContact O-N 2.97Å |
| 189 | V | 98.1 | Very high | 94.5 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 124.1 | 176 | -171.8 | 0 | 0 | 0 | 0 | 110 | T119 G120 F122 I160 W163 V164 F175 I187 V191 M341 | T119-V189 CarbonylContact C-O 3.59Å; T119-V189 WeakPolarHBondContact CA-O 3.42Å; G120-V189 PolarHBondContact N-O 2.99Å; G120-V189 PolarHBondContact O-N 3.37Å; F122-V189 HydrophobicContact CD2-CG2 3.99Å; F122-V189 HydrophobicContact CE2-CB 3.96Å; F122-V189 HydrophobicContact CE2-CG2 3.64Å; I160-V189 HydrophobicContact CG2-CG2 4.22Å; W163-V189 HydrophobicContact CZ3-CB 4.23Å; W163-V189 HydrophobicContact CZ3-CG1 4.28Å; V164-V189 HydrophobicContact CG2-CG1 3.86Å; F175-V189 HydrophobicContact CE1-CG1 4.33Å; F175-V189 HydrophobicContact CE1-CG2 4.03Å; F175-V189 HydrophobicContact CE2-CG1 4.08Å; F175-V189 HydrophobicContact CZ-CG1 3.69Å; F175-V189 HydrophobicContact CZ-CG2 3.97Å; I187-V189 HydrophobicContact CG2-CG2 3.78Å; V189-V191 HydrophobicContact CG1-CG2 4.23Å; V189-M341 CarbonylContact C-O 3.44Å; V189-M341 WeakPolarHBondContact CA-O 3.38Å; V189-M341 HydrophobicContact CG1-CB 4.44Å; V189-M341 HydrophobicContact CG2-CB 4.35Å |
| 190 | N | 97.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 132.4 | 166.1 | 179.8 | -110.9 | 0 | 0 | 0 | 110 | G45 I117 S118 M341 Q342 T343 | G45-N190 WeakPolarHBondContact CA-ND2 3.32Å; G45-N190 WeakPolarHBondContact CA-OD1 3.45Å; G45-N190 PolarHBondContact O-ND2 2.86Å; I117-N190 WeakPolarHBondContact CG2-ND2 3.3Å; S118-N190 WeakPolarHBondContact O-CA 3.43Å; S118-N190 PolarHBondContact O-ND2 3.46Å; N190-M341 PolarHBondContact N-O 2.71Å; N190-Q342 HydrophobicContact CB-CB 4.38Å; N190-Q342 HydrophobicContact CB-CG 4.3Å; N190-Q342 CarbonylContact O-C 3.59Å; N190-Q342 VanDerWaalsContact O-CA 3.32Å; N190-Q342 WeakPolarHBondContact O-CA 3.14Å; N190-Q342 PolarHBondContact OD1-NE2 3.16Å; N190-T343 PolarHBondContact O-N 2.65Å |
| 191 | V | 95.2 | Very high | 94.7 | Very high | 1 Ų | 1 | 22.7 Ų | 22.7 | 1% | 0.006 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 120.3 | 172.4 | -175.5 | 0 | 0 | 0 | 0 | 107.4 | S118 W163 V164 Q167 V189 T343 | S118-V191 PolarHBondContact N-O 3.31Å; S118-V191 PolarHBondContact O-N 3.27Å; W163-V191 HydrophobicContact CE3-CG2 4.49Å; W163-V191 HydrophobicContact CH2-CG2 4.27Å; W163-V191 HydrophobicContact CZ3-CG2 3.69Å; V164-V191 HydrophobicContact CG1-CG2 4.37Å; V164-V191 HydrophobicContact CG2-CG2 4.44Å; Q167-V191 HydrophobicContact CB-CB 4.1Å; Q167-V191 HydrophobicContact CB-CG1 4.08Å; Q167-V191 HydrophobicContact CB-CG2 4.06Å; V189-V191 HydrophobicContact CG1-CG2 4.23Å; V191-T343 HydrophobicContact CB-CG2 4.27Å; V191-T343 HydrophobicContact CG1-CG2 4.12Å; V191-T343 HydrophobicContact CG2-CG2 3.82Å |
| 192 | F | 93.2 | Very high | 94.6 | Very high | 1 Ų | 1 | 19.5 Ų | 19.5 | 0% | 0.004 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 133.5 | 171.4 | 177 | -86.5 | 0 | 0 | 0 | 110.4 | C42 V115 I117 F194 T343 I394 I395 | C42-F192 HydrophobicContact CB-CB 3.66Å; C42-F192 HydrophobicContact CB-CD1 4.23Å; C42-F192 HydrophobicContact CB-CD2 3.44Å; C42-F192 VanDerWaalsContact CB-CD2 3.44Å; C42-F192 HydrophobicContact CB-CE2 4.12Å; C42-F192 HydrophobicContact CB-CG 3.48Å; C42-F192 VanDerWaalsContact CB-CG 3.48Å; C42-F192 WeakPolarHBondContact SG-CD2 3.37Å; C42-F192 VanDerWaalsContact SG-CE2 3.59Å; V115-F192 HydrophobicContact CG1-CE2 3.76Å; V115-F192 HydrophobicContact CG1-CZ 4.3Å; I117-F192 HydrophobicContact CD1-CD2 4.2Å; I117-F192 HydrophobicContact CD1-CE2 4.35Å; I117-F192 HydrophobicContact CG1-CD2 3.88Å; I117-F192 HydrophobicContact CG1-CE2 4.22Å; F192-F194 HydrophobicContact CE1-CB 3.64Å; F192-F194 HydrophobicContact CZ-CB 3.84Å; F192-F194 HydrophobicContact CZ-CD2 4.34Å; F192-T343 PolarHBondContact N-O 3.31Å; F192-T343 VanDerWaalsContact N-O 3.09Å; F192-I394 HydrophobicContact CZ-CD1 4.27Å; F192-I395 HydrophobicContact CD1-CD1 3.34Å; F192-I395 HydrophobicContact CD1-CG1 3.87Å; F192-I395 HydrophobicContact CE1-CD1 3.24Å; F192-I395 HydrophobicContact CE1-CG1 3.17Å; F192-I395 HydrophobicContact CE2-CG1 4.34Å; F192-I395 HydrophobicContact CG-CD1 4.08Å; F192-I395 HydrophobicContact CZ-CD1 3.89Å; F192-I395 HydrophobicContact CZ-CG1 3.45Å; F192-I395 VanDerWaalsContact CZ-CG1 3.45Å |
| 193 | Y | 88.5 | Confident | 94.6 | Very high | 8 Ų | 8 | 17.3 Ų | 17.3 | 3% | 0.031 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 133.1 | 176.5 | -174.5 | -102.3 | 0 | 0 | 0 | 110.2 | R116 N169 L171 R195 I345 E354 | R116-Y193 PolarHBondContact N-O 2.75Å; R116-Y193 PolarHBondContact O-N 2.93Å; N169-Y193 WeakPolarHBondContact ND2-CE1 3.36Å; N169-Y193 PolarHBondContact ND2-OH 3.44Å; L171-Y193 HydrophobicContact CD1-CE2 3.92Å; Y193-R195 HydrophobicContact CE1-CB 3.76Å; Y193-R195 HydrophobicContact CE1-CG 4.44Å; Y193-R195 WeakPolarHBondContact OH-CD 3.48Å; Y193-I345 HydrophobicContact CD2-CD1 4.44Å; Y193-E354 HydrophobicContact CE2-CB 4.46Å; Y193-E354 HydrophobicContact CE2-CG 4.04Å |
| 194 | F | 92.5 | Very high | 94.5 | Very high | 1 Ų | 1 | 15.4 Ų | 15.4 | 0% | 0.004 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 135.8 | 175.3 | -173.7 | -80.4 | 0 | 0 | 0 | 109.5 | V114 V115 F192 D196 L248 F253 I353 I385 I394 | V114-F194 HydrophobicContact CG1-CD2 4.13Å; V114-F194 HydrophobicContact CG1-CE1 4.11Å; V114-F194 HydrophobicContact CG1-CE2 3.41Å; V114-F194 VanDerWaalsContact CG1-CE2 3.41Å; V114-F194 HydrophobicContact CG1-CZ 3.37Å; V114-F194 WeakPolarHBondContact O-CA 3.49Å; V115-F194 HydrophobicContact CG2-CD2 3.86Å; V115-F194 HydrophobicContact CG2-CE2 3.89Å; F192-F194 HydrophobicContact CE1-CB 3.64Å; F192-F194 HydrophobicContact CZ-CB 3.84Å; F192-F194 HydrophobicContact CZ-CD2 4.34Å; F194-D196 HydrophobicContact CE1-CB 3.8Å; F194-D196 HydrophobicContact CZ-CB 4.2Å; F194-L248 HydrophobicContact CE1-CD1 3.64Å; F194-L248 HydrophobicContact CZ-CD1 3.54Å; F194-F253 HydrophobicContact CE2-CB 4.23Å; F194-F253 HydrophobicContact CE2-CD1 4.18Å; F194-F253 AromaticContact CE2-CD2 3.96Å; F194-F253 HydrophobicContact CE2-CD2 3.96Å; F194-F253 HydrophobicContact CE2-CE2 4.36Å; F194-F253 AromaticContact CE2-CG 3.85Å; F194-F253 HydrophobicContact CE2-CG 3.85Å; F194-F253 HydrophobicContact CZ-CB 3.95Å; F194-F253 HydrophobicContact CZ-CD2 4.04Å; F194-F253 AromaticContact CZ-CG 3.99Å; F194-F253 HydrophobicContact CZ-CG 3.99Å; F194-I353 HydrophobicContact CD1-CB 4.09Å; F194-I353 HydrophobicContact CD1-CD1 4.24Å; F194-I353 HydrophobicContact CD1-CG2 3.87Å; F194-I353 HydrophobicContact CE1-CB 4.37Å; F194-I353 HydrophobicContact CE1-CD1 4.16Å; F194-I385 HydrophobicContact CB-CD1 3.91Å; F194-I385 HydrophobicContact CD1-CD1 3.59Å; F194-I385 HydrophobicContact CD2-CD1 3.85Å; F194-I385 HydrophobicContact CD2-CG2 4.13Å; F194-I385 HydrophobicContact CE1-CD1 4.07Å; F194-I385 HydrophobicContact CE2-CD1 4.3Å; F194-I385 HydrophobicContact CE2-CG2 3.69Å; F194-I385 HydrophobicContact CG-CD1 3.49Å; F194-I385 VanDerWaalsContact CG-CD1 3.49Å; F194-I385 HydrophobicContact CZ-CD1 4.41Å; F194-I385 HydrophobicContact CZ-CG2 3.94Å; F194-I394 HydrophobicContact CD2-CD1 3.8Å; F194-I394 HydrophobicContact CE2-CD1 3.87Å |
| 195 | R | 91 | Very high | 94.4 | Very high | 22 Ų | 22 | 23.3 Ų | 23.3 | 8% | 0.083 | 12% | 0.117 | C | C | . | . | trans | -146 | 123.5 | 178.2 | -164.1 | 174.3 | -165.4 | -157.2 | -1.8 | 111 | T105 I107 E112 V114 Y193 I353 E354 T356 | T105-R195 WeakPolarHBondContact CG2-O 3.09Å; I107-R195 HydrophobicContact CD1-CB 4.45Å; I107-R195 HydrophobicContact CD1-CG 3.55Å; E112-R195 VanDerWaalsContact CD-NH1 3.31Å; E112-R195 IonicContact OE1-NH1 3.91Å; E112-R195 PolarHBondContact OE1-NH1 3.21Å; E112-R195 WeakPolarHBondContact OE2-CD 3.41Å; E112-R195 IonicContact OE2-CZ 3.21Å; E112-R195 IonicContact OE2-NH1 3.87Å; E112-R195 PolarHBondContact OE2-NH1 3.21Å; V114-R195 WeakPolarHBondContact CA-O 3.28Å; V114-R195 PolarHBondContact O-N 3.41Å; Y193-R195 HydrophobicContact CE1-CB 3.76Å; Y193-R195 HydrophobicContact CE1-CG 4.44Å; Y193-R195 WeakPolarHBondContact OH-CD 3.48Å; R195-I353 WeakPolarHBondContact CA-O 3.5Å; R195-E354 HydrophobicContact CB-CB 4.24Å; R195-E354 HydrophobicContact CG-CB 3.79Å; R195-E354 PolarHBondContact NE-O 3.33Å; R195-E354 PolarHBondContact NH2-O 3.22Å; R195-T356 PolarHBondContact NH2-OG1 2.83Å | ||
| 196 | D | 93.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -164.6 | 162.3 | 171 | -158.2 | 13.8 | 0 | 0 | 0 | 111.5 | T105 V114 F194 L248 N249 N250 G352 I353 | T105-D196 WeakPolarHBondContact CB-OD1 3.26Å; T105-D196 PolarHBondContact OG1-OD1 3.36Å; V114-D196 HydrophobicContact CG1-CB 4.18Å; F194-D196 HydrophobicContact CE1-CB 3.8Å; F194-D196 HydrophobicContact CZ-CB 4.2Å; D196-L248 HydrophobicContact CB-CB 4.47Å; D196-L248 HydrophobicContact CB-CD2 4.4Å; D196-N249 PolarHBondContact OD2-N 2.95Å; D196-N250 WeakPolarHBondContact OD2-CA 3.32Å; D196-N250 WeakPolarHBondContact OD2-CB 3.45Å; D196-N250 PolarHBondContact OD2-N 3.43Å; D196-G352 CarbonylContact O-C 3.58Å; D196-G352 WeakPolarHBondContact O-CA 3.4Å; D196-I353 PolarHBondContact N-O 2.65Å; D196-I353 PolarHBondContact O-N 2.94Å |
| 197 | F | 94.7 | Very high | 94.6 | Very high | 28 Ų | 28 | 31.5 Ų | 31.5 | 12% | 0.123 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 156.2 | 173.1 | -63.7 | -89.5 | 0 | 0 | 0 | 111 | F106 I107 L248 N249 S351 A355 V358 | F106-F197 VanDerWaalsContact O-CE2 3.24Å; F106-F197 WeakPolarHBondContact O-CE2 3.36Å; I107-F197 HydrophobicContact CG1-CE2 3.52Å; I107-F197 HydrophobicContact CG1-CZ 3.88Å; F197-L248 CarbonylContact O-C 3.58Å; F197-L248 WeakPolarHBondContact O-CA 3.19Å; F197-L248 WeakPolarHBondContact O-CD2 3.49Å; F197-N249 HydrophobicContact CB-CB 3.93Å; F197-N249 PolarHBondContact O-N 2.89Å; F197-S351 WeakPolarHBondContact CA-O 3.44Å; F197-A355 HydrophobicContact CD1-CB 3.58Å; F197-A355 HydrophobicContact CD2-CB 4.48Å; F197-A355 HydrophobicContact CE1-CB 3.62Å; F197-A355 HydrophobicContact CE2-CB 4.48Å; F197-A355 HydrophobicContact CG-CB 4.05Å; F197-A355 HydrophobicContact CZ-CB 4.09Å; F197-V358 HydrophobicContact CD1-CG2 3.39Å; F197-V358 HydrophobicContact CE1-CG2 3.53Å |
| 198 | W | 95.5 | Very high | 94.5 | Very high | 3 Ų | 3 | 37.5 Ų | 37.5 | 1% | 0.011 | 18% | 0.177 | C | C | . | . | B | Isolated β-bridge | trans | -63.5 | 142 | 159.4 | -58.3 | 121.4 | 0 | 0 | 0 | 109 | S200 P201 F202 K246 L248 F255 L348 N349 E350 S351 G352 I353 | W198-S200 PolarHBondContact O-N 2.72Å; W198-P201 HydrophobicContact CB-CG 4.47Å; W198-F202 AromaticContact CD1-CD2 3.83Å; W198-F202 AromaticContact NE1-CD2 3.72Å; W198-F202 AromaticContact NE1-CE2 3.74Å; W198-K246 HydrophobicContact CD2-CD 4.22Å; W198-K246 HydrophobicContact CE3-CD 3.92Å; W198-K246 HydrophobicContact CE3-CG 4.1Å; W198-K246 HydrophobicContact CZ3-CD 4.3Å; W198-K246 HydrophobicContact CZ3-CG 4.45Å; W198-L248 HydrophobicContact CD2-CD2 4.35Å; W198-L248 HydrophobicContact CE3-CD2 3.48Å; W198-L248 VanDerWaalsContact CE3-CD2 3.48Å; W198-L248 HydrophobicContact CE3-CG 4.33Å; W198-L248 HydrophobicContact CH2-CD2 4.41Å; W198-L248 HydrophobicContact CZ3-CD2 3.51Å; W198-L248 HydrophobicContact CZ3-CG 4.27Å; W198-F255 HydrophobicContact CH2-CB 3.87Å; W198-F255 AromaticContact CH2-CD1 3.93Å; W198-F255 HydrophobicContact CH2-CD1 3.93Å; W198-F255 HydrophobicContact CH2-CD2 4.41Å; W198-F255 AromaticContact CH2-CG 3.82Å; W198-F255 HydrophobicContact CH2-CG 3.82Å; W198-F255 HydrophobicContact CZ3-CB 3.51Å; W198-F255 HydrophobicContact CZ3-CD1 4.31Å; W198-F255 AromaticContact CZ3-CG 4Å; W198-F255 HydrophobicContact CZ3-CG 4Å; W198-L348 HydrophobicContact CH2-CD2 3.97Å; W198-L348 HydrophobicContact CH2-CG 4.24Å; W198-L348 HydrophobicContact CZ2-CD2 3.94Å; W198-L348 HydrophobicContact CZ2-CG 4Å; W198-N349 PolarHBondContact NE1-O 3.47Å; W198-E350 VanDerWaalsContact CD1-O 3.28Å; W198-S351 VanDerWaalsContact CD1-C 3.41Å; W198-S351 PolarHBondContact N-O 2.86Å; W198-G352 VanDerWaalsContact CD1-CA 3.45Å; W198-G352 VanDerWaalsContact CD1-N 3.31Å; W198-G352 VanDerWaalsContact NE1-CA 3.32Å; W198-I353 HydrophobicContact CH2-CD1 4.06Å; W198-I353 HydrophobicContact CH2-CG1 3.75Å; W198-I353 HydrophobicContact CZ2-CG1 4.12Å; W198-I353 HydrophobicContact CZ3-CD1 4.36Å; W198-I353 HydrophobicContact CZ3-CG1 4.29Å |
| 199 | E | 94.5 | Very high | 94.5 | Very high | 103 Ų | 103 | 42.7 Ų | 42.7 | 48% | 0.481 | 20% | 0.204 | S | C | . | . | S | Bend | trans | -56.2 | -36.3 | 168.1 | -178 | -176.2 | -140.4 | 0 | 0 | 110.3 | P247 | E199-P247 HydrophobicContact CB-CB 4Å; E199-P247 PolarHBondContact N-O 3Å; E199-P247 WeakPolarHBondContact OE2-CB 3.26Å; E199-P247 WeakPolarHBondContact OE2-CG 3.36Å |
| 200 | S | 94.5 | Very high | 94.4 | Very high | 20 Ų | 20 | 44.7 Ų | 44.7 | 14% | 0.14 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -129.4 | 91.3 | -179.3 | 165 | 0 | 0 | 0 | 0 | 108.4 | W198 K227 E229 K246 | W198-S200 PolarHBondContact O-N 2.72Å; S200-K227 VanDerWaalsContact OG-CE 3.26Å; S200-K227 WeakPolarHBondContact OG-CE 3.43Å; S200-K227 PolarHBondContact OG-NZ 2.91Å; S200-E229 VanDerWaalsContact CB-OE2 3.29Å; S200-E229 WeakPolarHBondContact CB-OE2 3.39Å; S200-E229 PolarHBondContact OG-OE2 2.69Å; S200-K246 PolarHBondContact O-NZ 3.35Å |
| 201 | P | 94.6 | Very high | 94.4 | Very high | 12 Ų | 12 | 47.5 Ų | 47.5 | 8% | 0.078 | 23% | 0.229 | C | C | . | . | P | Polyproline II helix | trans | -62.5 | 154.9 | -177.1 | -25.7 | 36.4 | 0 | 0 | 0 | 113.9 | W198 K227 E350 V358 | W198-P201 HydrophobicContact CB-CG 4.47Å; P201-K227 WeakPolarHBondContact O-CD 3.17Å; P201-K227 PolarHBondContact O-NZ 2.78Å; P201-E350 WeakPolarHBondContact CB-O 3.49Å; P201-V358 HydrophobicContact CB-CG1 4.4Å; P201-V358 HydrophobicContact CG-CG1 4.17Å; P201-V358 HydrophobicContact CG-CG2 4.43Å |
| 202 | F | 94.3 | Very high | 94.5 | Very high | 1 Ų | 1 | 47.5 Ų | 47.5 | 0% | 0.004 | 23% | 0.228 | C | C | . | . | P | Polyproline II helix | trans | -77.6 | 148.5 | 168.7 | -61.1 | -92 | 0 | 0 | 0 | 109.7 | W198 P204 M225 K227 K246 L293 L295 E350 | W198-F202 AromaticContact CD1-CD2 3.83Å; W198-F202 AromaticContact NE1-CD2 3.72Å; W198-F202 AromaticContact NE1-CE2 3.74Å; F202-P204 WeakPolarHBondContact O-CD 3.38Å; F202-M225 HydrophobicContact CB-CB 4.13Å; F202-M225 HydrophobicContact CD1-CB 3.68Å; F202-M225 HydrophobicContact CD2-CB 4.17Å; F202-M225 HydrophobicContact CD2-CE 4.14Å; F202-M225 HydrophobicContact CD2-SD 4.02Å; F202-M225 HydrophobicContact CE1-CB 4.07Å; F202-M225 HydrophobicContact CE2-CE 3.96Å; F202-M225 HydrophobicContact CE2-SD 4.45Å; F202-M225 HydrophobicContact CG-CB 3.73Å; F202-M225 HydrophobicContact CG-SD 4.38Å; F202-M225 HydrophobicContact CZ-CB 4.47Å; F202-M225 HydrophobicContact CZ-CE 4.48Å; F202-K227 HydrophobicContact CD1-CB 3.67Å; F202-K227 HydrophobicContact CE1-CB 3.88Å; F202-K246 HydrophobicContact CE2-CD 4.22Å; F202-K246 HydrophobicContact CZ-CD 4.16Å; F202-L293 HydrophobicContact CE1-CD2 4.17Å; F202-L293 HydrophobicContact CE1-CG 4.35Å; F202-L293 HydrophobicContact CZ-CD2 3.78Å; F202-L293 HydrophobicContact CZ-CG 4.32Å; F202-L295 HydrophobicContact CE2-CD2 4.39Å; F202-L295 HydrophobicContact CZ-CB 4.21Å; F202-L295 HydrophobicContact CZ-CD2 4.23Å; F202-E350 HydrophobicContact CB-CB 4.02Å; F202-E350 HydrophobicContact CB-CG 4.15Å; F202-E350 PolarHBondContact N-O 2.58Å |
| 203 | E | 93.2 | Very high | 94.7 | Very high | 41 Ų | 41 | 48.5 Ų | 48.5 | 19% | 0.192 | 23% | 0.234 | C | C | . | . | P | Polyproline II helix | trans | -87.7 | 121.4 | 172.6 | -65.7 | -62.1 | 160.2 | 0 | 0 | 109.9 | H205 Y206 S360 | E203-H205 PolarHBondContact O-N 2.88Å; E203-H205 VanDerWaalsContact O-N 3.08Å; E203-Y206 HydrophobicContact CB-CD2 3.66Å; E203-Y206 HydrophobicContact CB-CE2 4.07Å; E203-Y206 HydrophobicContact CG-CD2 4.28Å; E203-Y206 HydrophobicContact CG-CE2 4.28Å; E203-Y206 PolarHBondContact O-N 3.12Å; E203-S360 WeakPolarHBondContact OE1-CB 3.22Å; E203-S360 PolarHBondContact OE2-OG 3.06Å |
| 204 | P | 92.4 | Very high | 95 | Very high | 71 Ų | 71 | 48.9 Ų | 48.9 | 46% | 0.461 | 24% | 0.236 | S | C | . | . | G | 310 helix | trans | -57 | -28.5 | -179 | -27 | 35 | 0 | 0 | 0 | 114.3 | F202 Y206 T207 E350 | F202-P204 WeakPolarHBondContact O-CD 3.38Å; P204-Y206 PolarHBondContact O-N 2.85Å; P204-T207 WeakPolarHBondContact O-CB 3.26Å; P204-T207 PolarHBondContact O-N 2.69Å; P204-T207 VanDerWaalsContact O-N 3.09Å; P204-E350 HydrophobicContact CB-CG 4.4Å; P204-E350 HydrophobicContact CG-CB 4.08Å; P204-E350 HydrophobicContact CG-CG 4.18Å |
| 205 | H | 93.8 | Very high | 94.9 | Very high | 172 Ų | 172 | 51 Ų | 51 | 80% | 0.796 | 25% | 0.251 | S | S | * | . | G | 310 helix | trans | -63.7 | -21.7 | 176.2 | -70.8 | 91.5 | 0 | 0 | 0 | 113.4 | E203 | E203-H205 PolarHBondContact O-N 2.88Å; E203-H205 VanDerWaalsContact O-N 3.08Å |
| 206 | Y | 95.3 | Very high | 94.9 | Very high | 147 Ų | 147 | 54.8 Ų | 54.8 | 58% | 0.576 | 28% | 0.279 | S | S | * | . | G | 310 helix | trans | -94.8 | -10.1 | 174.7 | -61.1 | -48.5 | 0 | 0 | 0 | 113.1 | E203 P204 K208 M226 | E203-Y206 HydrophobicContact CB-CD2 3.66Å; E203-Y206 HydrophobicContact CB-CE2 4.07Å; E203-Y206 HydrophobicContact CG-CD2 4.28Å; E203-Y206 HydrophobicContact CG-CE2 4.28Å; E203-Y206 PolarHBondContact O-N 3.12Å; P204-Y206 PolarHBondContact O-N 2.85Å; Y206-K208 PolarHBondContact O-N 3.44Å; Y206-M226 WeakPolarHBondContact O-CE 3.3Å |
| 207 | T | 95.9 | Very high | 94.9 | Very high | 29 Ų | 29 | 62.5 Ų | 62.5 | 18% | 0.178 | 32% | 0.32 | C | S | . | . | trans | -66.2 | 127.1 | 174.3 | -60.8 | 0 | 0 | 0 | 0 | 110.3 | P204 P223 M224 M225 E350 | P204-T207 WeakPolarHBondContact O-CB 3.26Å; P204-T207 PolarHBondContact O-N 2.69Å; P204-T207 VanDerWaalsContact O-N 3.09Å; T207-P223 HydrophobicContact CG2-CB 3.72Å; T207-M224 WeakPolarHBondContact CA-O 3.36Å; T207-M225 HydrophobicContact CG2-CG 4.43Å; T207-E350 WeakPolarHBondContact CB-OE1 3.47Å; T207-E350 WeakPolarHBondContact CG2-OE1 3.22Å; T207-E350 WeakPolarHBondContact OG1-CG 3.37Å; T207-E350 PolarHBondContact OG1-OE1 2.78Å | ||
| 208 | K | 96.9 | Very high | 94.9 | Very high | 127 Ų | 127 | 66.5 Ų | 66.5 | 55% | 0.552 | 33% | 0.334 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 152.1 | 178.8 | -66.7 | -176 | -171.2 | 172.1 | 0 | 111.7 | Y206 E210 M224 M226 | Y206-K208 PolarHBondContact O-N 3.44Å; K208-E210 PolarHBondContact O-N 2.81Å; K208-M224 PolarHBondContact N-O 2.93Å; K208-M224 WeakPolarHBondContact O-CB 3.37Å; K208-M224 PolarHBondContact O-N 2.97Å; K208-M226 HydrophobicContact CB-CE 4.13Å; K208-M226 HydrophobicContact CD-CE 3.69Å; K208-M226 HydrophobicContact CG-CE 3.78Å |
| 209 | I | 97.9 | Very high | 94.9 | Very high | 110 Ų | 110 | 71 Ų | 71 | 56% | 0.564 | 36% | 0.355 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74 | 108.2 | 172.3 | -58.5 | -58.3 | 0 | 0 | 0 | 109.2 | K221 V222 P223 | I209-K221 HydrophobicContact CG2-CB 3.73Å; I209-K221 HydrophobicContact CG2-CD 4Å; I209-K221 HydrophobicContact CG2-CG 4.19Å; I209-V222 CarbonylContact C-O 3.59Å; I209-V222 WeakPolarHBondContact CA-O 3.45Å; I209-P223 HydrophobicContact CD1-CB 4.17Å; I209-P223 HydrophobicContact CD1-CG 4.04Å |
| 210 | E | 97.7 | Very high | 94.9 | Very high | 41 Ų | 41 | 67.7 Ų | 67.7 | 19% | 0.192 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 171 | 177.3 | -63.7 | -159.4 | 172.6 | 0 | 0 | 111.7 | K208 K221 V222 M224 R294 | K208-E210 PolarHBondContact O-N 2.81Å; E210-K221 CarbonylContact O-C 3.49Å; E210-K221 WeakPolarHBondContact O-CA 3.47Å; E210-V222 PolarHBondContact N-O 2.91Å; E210-V222 PolarHBondContact O-N 3.04Å; E210-M224 HydrophobicContact CB-CB 3.85Å; E210-M224 HydrophobicContact CB-CE 4.48Å; E210-M224 HydrophobicContact CB-CG 4.38Å; E210-M224 HydrophobicContact CG-CB 3.85Å; E210-M224 HydrophobicContact CG-CG 4.34Å; E210-R294 IonicContact OE1-NH1 2.8Å; E210-R294 PolarHBondContact OE1-NH1 2.88Å; E210-R294 VanDerWaalsContact OE1-NH1 3.11Å; E210-R294 IonicContact OE2-NH1 2.69Å; E210-R294 PolarHBondContact OE2-NH1 3.21Å |
| 211 | N | 97.2 | Very high | 95.1 | Very high | 60 Ų | 60 | 72.6 Ų | 72.6 | 32% | 0.321 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 140.8 | 176.5 | -75.1 | -14.9 | 0 | 0 | 0 | 111 | Q219 I220 K221 | N211-Q219 HydrophobicContact CB-CG 3.84Å; N211-Q219 PolarHBondContact ND2-NE2 3.22Å; N211-Q219 PolarHBondContact ND2-OE1 3.22Å; N211-Q219 PolarHBondContact OD1-OE1 3.48Å; N211-I220 CarbonylContact C-O 3.56Å; N211-I220 WeakPolarHBondContact CA-O 3.28Å; N211-K221 VanDerWaalsContact OD1-CD 3.23Å; N211-K221 WeakPolarHBondContact OD1-CD 3.27Å; N211-K221 WeakPolarHBondContact OD1-CE 3.35Å; N211-K221 PolarHBondContact OD1-NZ 3.14Å |
| 212 | F | 97.7 | Very high | 95.2 | Very high | 0 Ų | 0 | 72 Ų | 72 | 0% | 0 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 120.7 | 167.4 | -170.3 | -79.5 | 0 | 0 | 0 | 109.9 | I214 Q219 I220 V222 P296 V377 N378 H379 P380 F381 I400 P402 | F212-I214 HydrophobicContact CD1-CG1 3.96Å; F212-I214 HydrophobicContact CE1-CG1 4.34Å; F212-I214 PolarHBondContact O-N 3.45Å; F212-Q219 CarbonylContact O-C 3.39Å; F212-Q219 VanDerWaalsContact O-CA 3.28Å; F212-Q219 WeakPolarHBondContact O-CA 3.24Å; F212-Q219 WeakPolarHBondContact O-CG 3.38Å; F212-I220 HydrophobicContact CB-CG1 4Å; F212-I220 PolarHBondContact N-O 2.99Å; F212-I220 PolarHBondContact O-N 3.34Å; F212-V222 HydrophobicContact CB-CG1 3.86Å; F212-V222 HydrophobicContact CB-CG2 3.96Å; F212-P296 HydrophobicContact CD2-CG 4.45Å; F212-P296 HydrophobicContact CE2-CG 4.23Å; F212-V377 WeakPolarHBondContact CE2-O 3.47Å; F212-N378 CarbonylContact C-O 3.53Å; F212-N378 WeakPolarHBondContact CA-O 3.42Å; F212-N378 VanDerWaalsContact CD2-C 3.47Å; F212-H379 VanDerWaalsContact CE2-N 3.33Å; F212-H379 VanDerWaalsContact CZ-CA 3.48Å; F212-H379 WeakPolarHBondContact CZ-O 3.27Å; F212-P380 HydrophobicContact CE1-CG 4.48Å; F212-F381 HydrophobicContact CE2-CD1 4.21Å; F212-F381 HydrophobicContact CE2-CE1 4.06Å; F212-F381 HydrophobicContact CZ-CD1 4.15Å; F212-F381 HydrophobicContact CZ-CE1 4.21Å; F212-I400 WeakPolarHBondContact CE1-O 3.42Å; F212-P402 HydrophobicContact CB-CG 4.48Å; F212-P402 HydrophobicContact CD1-CG 4.02Å; F212-P402 HydrophobicContact CD2-CG 3.82Å; F212-P402 VanDerWaalsContact CE1-CD 3.46Å; F212-P402 HydrophobicContact CE1-CG 4.15Å; F212-P402 HydrophobicContact CE2-CG 3.94Å; F212-P402 HydrophobicContact CG-CG 3.84Å; F212-P402 HydrophobicContact CZ-CG 4.08Å |
| 213 | D | 96.9 | Very high | 95.3 | Very high | 23 Ų | 23 | 72.9 Ų | 72.9 | 12% | 0.123 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 89.4 | -174.5 | -63.6 | -34.1 | 0 | 0 | 0 | 110.7 | Q219 K263 N378 H379 P380 | D213-Q219 PolarHBondContact OD1-NE2 3.15Å; D213-K263 HydrophobicContact CB-CD 4.27Å; D213-K263 IonicContact OD2-NZ 2.62Å; D213-K263 PolarHBondContact OD2-NZ 2.62Å; D213-N378 PolarHBondContact N-O 2.8Å; D213-H379 HydrophobicContact CB-CB 4.4Å; D213-P380 WeakPolarHBondContact O-CD 3.37Å |
| 214 | I | 93.8 | Very high | 95.6 | Very high | 16 Ų | 16 | 71 Ų | 71 | 8% | 0.082 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | -41.9 | 179.5 | -59.5 | 177 | 0 | 0 | 0 | 111.1 | F212 R218 I220 I400 E401 | F212-I214 HydrophobicContact CD1-CG1 3.96Å; F212-I214 HydrophobicContact CE1-CG1 4.34Å; F212-I214 PolarHBondContact O-N 3.45Å; I214-R218 HydrophobicContact CB-CB 4.45Å; I214-R218 HydrophobicContact CB-CG 4.41Å; I214-R218 HydrophobicContact CD1-CG 4.31Å; I214-R218 PolarHBondContact N-O 3.29Å; I214-I220 HydrophobicContact CD1-CB 4.34Å; I214-I220 HydrophobicContact CD1-CD1 3.98Å; I214-I220 HydrophobicContact CD1-CG1 3.87Å; I214-I220 HydrophobicContact CD1-CG2 3.6Å; I214-I220 HydrophobicContact CG1-CD1 4.5Å; I214-I220 HydrophobicContact CG1-CG1 4.17Å; I214-I400 HydrophobicContact CG2-CG2 3.92Å; I214-E401 HydrophobicContact CD1-CB 3.97Å; I214-E401 HydrophobicContact CD1-CG 3.67Å |
| 215 | S | 92 | Very high | 95.8 | Very high | 45 Ų | 45 | 67.6 Ų | 67.6 | 32% | 0.315 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154 | 172.8 | 179.6 | 81.1 | 0 | 0 | 0 | 0 | 110.1 | N217 R218 | S215-N217 PolarHBondContact O-N 3.16Å; S215-R218 PolarHBondContact N-O 3.44Å; S215-R218 VanDerWaalsContact N-O 3.09Å; S215-R218 PolarHBondContact O-N 3.37Å; S215-R218 VanDerWaalsContact O-N 3.15Å; S215-R218 VanDerWaalsContact O-O 3.14Å; S215-R218 WeakPolarHBondContact OG-CB 3.45Å; S215-R218 PolarHBondContact OG-N 2.8Å |
| 216 | P | 90.6 | Very high | 96 | Very high | 102 Ų | 102 | 60.8 Ų | 60.8 | 66% | 0.662 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | -26 | -177.6 | -25.5 | 36.7 | 0 | 0 | 0 | 113.8 | W264 | P216-W264 HydrophobicContact CG-CG 4.34Š|
| 217 | N | 92.7 | Very high | 96 | Very high | 162 Ų | 162 | 55.3 Ų | 55.3 | 87% | 0.866 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.8 | 4.8 | -176.3 | -59.6 | -31.7 | 0 | 0 | 0 | 113.2 | S215 | S215-N217 PolarHBondContact O-N 3.16Š|
| 218 | R | 94.6 | Very high | 95.9 | Very high | 111 Ų | 111 | 59.6 Ų | 59.6 | 42% | 0.419 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 119.7 | -176.4 | -169.6 | 179.2 | 178.3 | -132.8 | -7.6 | 110.9 | I214 S215 E401 | I214-R218 HydrophobicContact CB-CB 4.45Å; I214-R218 HydrophobicContact CB-CG 4.41Å; I214-R218 HydrophobicContact CD1-CG 4.31Å; I214-R218 PolarHBondContact N-O 3.29Å; S215-R218 PolarHBondContact N-O 3.44Å; S215-R218 VanDerWaalsContact N-O 3.09Å; S215-R218 PolarHBondContact O-N 3.37Å; S215-R218 VanDerWaalsContact O-N 3.15Å; S215-R218 VanDerWaalsContact O-O 3.14Å; S215-R218 WeakPolarHBondContact OG-CB 3.45Å; S215-R218 PolarHBondContact OG-N 2.8Å; R218-E401 IonicContact CZ-OE1 2.69Å; R218-E401 IonicContact CZ-OE2 2.8Å; R218-E401 IonicContact NH1-OE1 3.72Å; R218-E401 IonicContact NH1-OE2 3.36Å; R218-E401 PolarHBondContact NH1-OE2 2.82Å; R218-E401 IonicContact NH2-OE1 2.77Å; R218-E401 PolarHBondContact NH2-OE1 3.27Å; R218-E401 IonicContact NH2-OE2 4Å; R218-E401 PolarHBondContact NH2-OE2 2.7Å |
| 219 | Q | 95.2 | Very high | 95.8 | Very high | 98 Ų | 98 | 54.2 Ų | 54.2 | 46% | 0.458 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 144.2 | 175.5 | -175.4 | -178.3 | 81.7 | 0 | 0 | 108.8 | N211 F212 D213 | N211-Q219 HydrophobicContact CB-CG 3.84Å; N211-Q219 PolarHBondContact ND2-NE2 3.22Å; N211-Q219 PolarHBondContact ND2-OE1 3.22Å; N211-Q219 PolarHBondContact OD1-OE1 3.48Å; F212-Q219 CarbonylContact O-C 3.39Å; F212-Q219 VanDerWaalsContact O-CA 3.28Å; F212-Q219 WeakPolarHBondContact O-CA 3.24Å; F212-Q219 WeakPolarHBondContact O-CG 3.38Å; D213-Q219 PolarHBondContact OD1-NE2 3.15Å |
| 220 | I | 96 | Very high | 95.7 | Very high | 34 Ų | 34 | 52.4 Ų | 52.4 | 17% | 0.174 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 162.5 | 172.7 | 60.6 | 164.8 | 0 | 0 | 0 | 110.1 | N211 F212 I214 V222 E401 P402 | N211-I220 CarbonylContact C-O 3.56Å; N211-I220 WeakPolarHBondContact CA-O 3.28Å; F212-I220 HydrophobicContact CB-CG1 4Å; F212-I220 PolarHBondContact N-O 2.99Å; F212-I220 PolarHBondContact O-N 3.34Å; I214-I220 HydrophobicContact CD1-CB 4.34Å; I214-I220 HydrophobicContact CD1-CD1 3.98Å; I214-I220 HydrophobicContact CD1-CG1 3.87Å; I214-I220 HydrophobicContact CD1-CG2 3.6Å; I214-I220 HydrophobicContact CG1-CD1 4.5Å; I214-I220 HydrophobicContact CG1-CG1 4.17Å; I220-V222 HydrophobicContact CD1-CG1 3.68Å; I220-V222 HydrophobicContact CG1-CG1 3.92Å; I220-E401 HydrophobicContact CD1-CG 3.93Å; I220-P402 HydrophobicContact CD1-CG 4.15Å |
| 221 | K | 97.2 | Very high | 95.7 | Very high | 122 Ų | 122 | 50.8 Ų | 50.8 | 53% | 0.53 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 128.8 | 172 | -71.1 | -61 | -165.6 | 175.6 | 0 | 109.1 | I209 E210 N211 I404 | I209-K221 HydrophobicContact CG2-CB 3.73Å; I209-K221 HydrophobicContact CG2-CD 4Å; I209-K221 HydrophobicContact CG2-CG 4.19Å; E210-K221 CarbonylContact O-C 3.49Å; E210-K221 WeakPolarHBondContact O-CA 3.47Å; N211-K221 VanDerWaalsContact OD1-CD 3.23Å; N211-K221 WeakPolarHBondContact OD1-CD 3.27Å; N211-K221 WeakPolarHBondContact OD1-CE 3.35Å; N211-K221 PolarHBondContact OD1-NZ 3.14Å; K221-I404 WeakPolarHBondContact O-CD1 3.33Å |
| 222 | V | 97.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 147.1 | -179.4 | -57.5 | 0 | 0 | 0 | 0 | 110.9 | I209 E210 F212 I220 M224 P296 P402 I404 | I209-V222 CarbonylContact C-O 3.59Å; I209-V222 WeakPolarHBondContact CA-O 3.45Å; E210-V222 PolarHBondContact N-O 2.91Å; E210-V222 PolarHBondContact O-N 3.04Å; F212-V222 HydrophobicContact CB-CG1 3.86Å; F212-V222 HydrophobicContact CB-CG2 3.96Å; I220-V222 HydrophobicContact CD1-CG1 3.68Å; I220-V222 HydrophobicContact CG1-CG1 3.92Å; V222-M224 HydrophobicContact CG2-CE 3.99Å; V222-M224 PolarHBondContact O-N 2.8Å; V222-P296 HydrophobicContact CB-CB 4.5Å; V222-P296 HydrophobicContact CG2-CB 4.1Å; V222-P402 HydrophobicContact CG1-CG 3.71Å; V222-I404 HydrophobicContact CG1-CD1 4.34Å |
| 223 | P | 97.4 | Very high | 95.8 | Very high | 20 Ų | 20 | 52.9 Ų | 52.9 | 13% | 0.13 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 114.6 | 164.6 | -9.2 | 24.7 | 0 | 0 | 0 | 108.8 | T207 I209 K297 I404 | T207-P223 HydrophobicContact CG2-CB 3.72Å; I209-P223 HydrophobicContact CD1-CB 4.17Å; I209-P223 HydrophobicContact CD1-CG 4.04Å; P223-K297 HydrophobicContact CB-CB 4.09Å; P223-K297 HydrophobicContact CB-CD 4.42Å; P223-K297 HydrophobicContact CG-CB 4.45Å; P223-K297 PolarHBondContact O-N 2.93Å; P223-I404 HydrophobicContact CG-CG2 4.36Å |
| 224 | M | 98.2 | Very high | 95.9 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 111 | -179.9 | -170.1 | 65.5 | 73.8 | 0 | 0 | 108.7 | T207 K208 E210 V222 R294 L295 P296 N378 | T207-M224 WeakPolarHBondContact CA-O 3.36Å; K208-M224 PolarHBondContact N-O 2.93Å; K208-M224 WeakPolarHBondContact O-CB 3.37Å; K208-M224 PolarHBondContact O-N 2.97Å; E210-M224 HydrophobicContact CB-CB 3.85Å; E210-M224 HydrophobicContact CB-CE 4.48Å; E210-M224 HydrophobicContact CB-CG 4.38Å; E210-M224 HydrophobicContact CG-CB 3.85Å; E210-M224 HydrophobicContact CG-CG 4.34Å; V222-M224 HydrophobicContact CG2-CE 3.99Å; V222-M224 PolarHBondContact O-N 2.8Å; M224-R294 HydrophobicContact CG-CB 3.75Å; M224-R294 VanDerWaalsContact SD-C 3.56Å; M224-R294 HydrophobicContact SD-CB 3.86Å; M224-L295 PolarHBondContact SD-N 2.99Å; M224-P296 HydrophobicContact SD-CB 4.46Å; M224-P296 VanDerWaalsContact SD-N 3.44Å; M224-N378 HydrophobicContact CE-CB 4.38Å |
| 225 | M | 97.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 139.6 | 176.2 | -51.7 | 178.8 | -65.1 | 0 | 0 | 108.6 | F202 T207 R294 L295 K297 N349 E350 | F202-M225 HydrophobicContact CB-CB 4.13Å; F202-M225 HydrophobicContact CD1-CB 3.68Å; F202-M225 HydrophobicContact CD2-CB 4.17Å; F202-M225 HydrophobicContact CD2-CE 4.14Å; F202-M225 HydrophobicContact CD2-SD 4.02Å; F202-M225 HydrophobicContact CE1-CB 4.07Å; F202-M225 HydrophobicContact CE2-CE 3.96Å; F202-M225 HydrophobicContact CE2-SD 4.45Å; F202-M225 HydrophobicContact CG-CB 3.73Å; F202-M225 HydrophobicContact CG-SD 4.38Å; F202-M225 HydrophobicContact CZ-CB 4.47Å; F202-M225 HydrophobicContact CZ-CE 4.48Å; T207-M225 HydrophobicContact CG2-CG 4.43Å; M225-R294 VanDerWaalsContact O-CA 3.31Å; M225-R294 WeakPolarHBondContact O-CA 3.48Å; M225-L295 WeakPolarHBondContact CB-O 3.09Å; M225-L295 HydrophobicContact CE-CB 4.18Å; M225-L295 HydrophobicContact CE-CD2 4Å; M225-L295 HydrophobicContact CE-CG 4.12Å; M225-L295 PolarHBondContact N-O 3.36Å; M225-L295 PolarHBondContact O-N 2.84Å; M225-K297 HydrophobicContact CG-CB 4.25Å; M225-K297 HydrophobicContact SD-CB 4.26Å; M225-N349 VanDerWaalsContact SD-O 3.41Å; M225-E350 HydrophobicContact CG-CG 4Å; M225-E350 HydrophobicContact SD-CB 4.38Å; M225-E350 HydrophobicContact SD-CG 3.91Å; M225-E350 PolarHBondContact SD-N 3.46Å |
| 226 | M | 96.7 | Very high | 96.4 | Very high | 30 Ų | 30 | 55.2 Ų | 55.2 | 15% | 0.148 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 132.9 | -174 | -61 | -168.8 | -74.4 | 0 | 0 | 111.4 | Y206 K208 L293 R294 | Y206-M226 WeakPolarHBondContact O-CE 3.3Å; K208-M226 HydrophobicContact CB-CE 4.13Å; K208-M226 HydrophobicContact CD-CE 3.69Å; K208-M226 HydrophobicContact CG-CE 3.78Å; M226-L293 WeakPolarHBondContact CA-O 3.23Å; M226-R294 HydrophobicContact CG-CB 4.48Å; M226-R294 HydrophobicContact CG-CG 4.01Å; M226-R294 HydrophobicContact SD-CG 4.32Å |
| 227 | K | 95.2 | Very high | 96.7 | Very high | 31 Ų | 31 | 56.5 Ų | 56.5 | 14% | 0.135 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.6 | 138.8 | 173.4 | -168.6 | 167.1 | -169.1 | 169.2 | 0 | 111 | S200 P201 F202 E229 L293 | S200-K227 VanDerWaalsContact OG-CE 3.26Å; S200-K227 WeakPolarHBondContact OG-CE 3.43Å; S200-K227 PolarHBondContact OG-NZ 2.91Å; P201-K227 WeakPolarHBondContact O-CD 3.17Å; P201-K227 PolarHBondContact O-NZ 2.78Å; F202-K227 HydrophobicContact CD1-CB 3.67Å; F202-K227 HydrophobicContact CE1-CB 3.88Å; K227-E229 HydrophobicContact CD-CG 4.45Å; K227-E229 HydrophobicContact CG-CB 4.48Å; K227-E229 HydrophobicContact CG-CG 4.22Å; K227-L293 PolarHBondContact N-O 3.07Å; K227-L293 PolarHBondContact O-N 3.17Å |
| 228 | E | 95.3 | Very high | 96.9 | Very high | 119 Ų | 119 | 56.2 Ų | 56.2 | 56% | 0.556 | 27% | 0.268 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 123.3 | 166.3 | -68.4 | 175.8 | -177.1 | 0 | 0 | 108.6 | V291 P371 | E228-V291 WeakPolarHBondContact CA-O 3.23Å; E228-P371 HydrophobicContact CG-CG 4.39Å |
| 229 | E | 94.2 | Very high | 97 | Very high | 14 Ų | 14 | 53.8 Ų | 53.8 | 7% | 0.065 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.2 | 161.8 | -178.4 | 49.8 | 176.5 | 166.1 | 0 | 0 | 111.3 | S200 K227 L231 K246 V291 | S200-E229 VanDerWaalsContact CB-OE2 3.29Å; S200-E229 WeakPolarHBondContact CB-OE2 3.39Å; S200-E229 PolarHBondContact OG-OE2 2.69Å; K227-E229 HydrophobicContact CD-CG 4.45Å; K227-E229 HydrophobicContact CG-CB 4.48Å; K227-E229 HydrophobicContact CG-CG 4.22Å; E229-L231 HydrophobicContact CG-CD1 3.94Å; E229-L231 HydrophobicContact CG-CD2 4.11Å; E229-L231 HydrophobicContact CG-CG 3.82Å; E229-K246 VanDerWaalsContact CD-NZ 3.35Å; E229-K246 IonicContact OE1-NZ 3.01Å; E229-K246 PolarHBondContact OE1-NZ 3.46Å; E229-K246 IonicContact OE2-NZ 2.86Å; E229-K246 PolarHBondContact OE2-NZ 2.84Å; E229-V291 PolarHBondContact N-O 3.16Å; E229-V291 VanDerWaalsContact N-O 3.09Å; E229-V291 PolarHBondContact O-N 2.9Å |
| 230 | V | 96.2 | Very high | 97.1 | Very high | 73 Ų | 73 | 50.4 Ų | 50.4 | 44% | 0.442 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 119.6 | 172.2 | -179.8 | 0 | 0 | 0 | 0 | 108.7 | E288 T289 | V230-E288 HydrophobicContact CG1-CB 3.94Å; V230-E288 HydrophobicContact CG1-CG 4.42Å; V230-T289 WeakPolarHBondContact CA-O 2.82Å |
| 231 | L | 97.3 | Very high | 97.2 | Very high | 7 Ų | 7 | 48.8 Ų | 48.8 | 4% | 0.037 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 164.2 | 179.3 | -65.2 | 175.8 | 0 | 0 | 0 | 110.8 | E229 Y233 V244 K246 E288 T289 V291 L293 | E229-L231 HydrophobicContact CG-CD1 3.94Å; E229-L231 HydrophobicContact CG-CD2 4.11Å; E229-L231 HydrophobicContact CG-CG 3.82Å; L231-Y233 PolarHBondContact O-N 2.99Å; L231-V244 HydrophobicContact CB-CG2 3.83Å; L231-V244 HydrophobicContact CD1-CG2 3.59Å; L231-V244 HydrophobicContact CG-CG2 4.35Å; L231-K246 HydrophobicContact CD2-CB 4.43Å; L231-K246 HydrophobicContact CD2-CG 4.31Å; L231-E288 CarbonylContact O-C 3.48Å; L231-E288 WeakPolarHBondContact O-CA 3.28Å; L231-T289 PolarHBondContact N-O 2.82Å; L231-T289 PolarHBondContact O-N 3.26Å; L231-V291 HydrophobicContact CB-CG2 4.4Å; L231-L293 HydrophobicContact CD1-CB 4.48Å; L231-L293 HydrophobicContact CD1-CD2 3.95Å |
| 232 | H | 98.4 | Very high | 97.3 | Very high | 83 Ų | 83 | 44.1 Ų | 44.1 | 38% | 0.384 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 117.6 | 167.1 | -73.1 | 153.6 | 0 | 0 | 0 | 110.5 | V244 S245 L286 K287 | H232-V244 CarbonylContact O-C 3.55Å; H232-V244 WeakPolarHBondContact O-CA 3.24Å; H232-S245 PolarHBondContact O-N 3.12Å; H232-L286 HydrophobicContact CB-CB 3.86Å; H232-L286 HydrophobicContact CB-CD1 4.17Å; H232-K287 CarbonylContact C-O 3.5Å; H232-K287 WeakPolarHBondContact CA-O 3.37Å |
| 233 | Y | 98.8 | Very high | 97.4 | Very high | 20 Ų | 20 | 44.1 Ų | 44.1 | 8% | 0.078 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 151.8 | -177.8 | 170.6 | -99.3 | 0 | 0 | 0 | 112.3 | L231 K235 E242 I243 L286 K287 T289 I373 F375 | L231-Y233 PolarHBondContact O-N 2.99Å; Y233-K235 HydrophobicContact CE1-CB 4.29Å; Y233-K235 WeakPolarHBondContact OH-CB 3.26Å; Y233-E242 HydrophobicContact CE2-CB 3.94Å; Y233-E242 HydrophobicContact CE2-CG 4.41Å; Y233-E242 WeakPolarHBondContact CE2-OE2 3.48Å; Y233-E242 VanDerWaalsContact CZ-OE2 3.32Å; Y233-E242 PolarHBondContact OH-OE2 3.32Å; Y233-I243 CarbonylContact C-O 3.55Å; Y233-I243 WeakPolarHBondContact CA-O 3.44Å; Y233-I243 WeakPolarHBondContact CD2-O 3.41Å; Y233-L286 CarbonylContact O-C 3.45Å; Y233-L286 VanDerWaalsContact O-CA 3.3Å; Y233-L286 WeakPolarHBondContact O-CA 3.32Å; Y233-K287 PolarHBondContact N-O 3.1Å; Y233-K287 PolarHBondContact O-N 3.19Å; Y233-T289 HydrophobicContact CD1-CG2 4.26Å; Y233-I373 HydrophobicContact CD1-CD1 4.41Å; Y233-I373 HydrophobicContact CD1-CG1 3.95Å; Y233-I373 HydrophobicContact CD2-CG2 4.25Å; Y233-I373 HydrophobicContact CE1-CD1 3.72Å; Y233-I373 HydrophobicContact CE1-CG1 3.73Å; Y233-I373 HydrophobicContact CE1-CG2 4.35Å; Y233-I373 HydrophobicContact CE2-CG2 3.81Å; Y233-I373 HydrophobicContact CG-CG1 4.49Å; Y233-F375 AromaticContact CD2-CD2 4Å; Y233-F375 HydrophobicContact CD2-CD2 4Å; Y233-F375 HydrophobicContact CD2-CE2 4.27Å; Y233-F375 AromaticContact CE2-CD2 3.81Å; Y233-F375 HydrophobicContact CE2-CD2 3.81Å; Y233-F375 HydrophobicContact CE2-CE2 4.09Å |
| 234 | G | 98.7 | Very high | 97.4 | Very high | 9 Ų | 9 | 43.2 Ų | 43.2 | 9% | 0.093 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.2 | 135.8 | 169.5 | 0 | 0 | 0 | 0 | 0 | 113 | F236 E242 I243 | G234-F236 WeakPolarHBondContact O-CD2 3.26Å; G234-F236 WeakPolarHBondContact O-CE2 3.4Å; G234-E242 CarbonylContact O-C 3.53Å; G234-E242 WeakPolarHBondContact O-CA 3.32Å; G234-I243 PolarHBondContact N-O 3.22Å; G234-I243 PolarHBondContact O-N 3.01Å |
| 235 | K | 98.6 | Very high | 97.5 | Very high | 103 Ų | 103 | 43.3 Ų | 43.3 | 45% | 0.448 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 129.1 | 175.2 | -158.9 | -178.9 | -175 | -162.6 | 0 | 110.8 | Y233 E237 E242 L261 | Y233-K235 HydrophobicContact CE1-CB 4.29Å; Y233-K235 WeakPolarHBondContact OH-CB 3.26Å; K235-E237 HydrophobicContact CD-CG 3.94Å; K235-E237 WeakPolarHBondContact CE-OE1 3.33Å; K235-E237 HydrophobicContact CG-CG 4.05Å; K235-E237 IonicContact NZ-OE1 3.09Å; K235-E237 PolarHBondContact NZ-OE1 3.02Å; K235-E242 HydrophobicContact CG-CB 4.24Å; K235-L261 HydrophobicContact CG-CD1 4.46Å; K235-L261 HydrophobicContact CG-CD2 4.24Å |
| 236 | F | 98.4 | Very high | 97.5 | Very high | 22 Ų | 22 | 43.5 Ų | 43.5 | 10% | 0.096 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 70.8 | -177.3 | -58.8 | -82.8 | 0 | 0 | 0 | 109.9 | G234 N238 Q239 G240 F241 I243 Y282 K285 L286 | G234-F236 WeakPolarHBondContact O-CD2 3.26Å; G234-F236 WeakPolarHBondContact O-CE2 3.4Å; F236-N238 VanDerWaalsContact C-N 3.33Å; F236-N238 PolarHBondContact O-N 3.41Å; F236-Q239 HydrophobicContact CB-CB 4.19Å; F236-Q239 CarbonylContact O-C 3.6Å; F236-Q239 WeakPolarHBondContact O-CA 3.27Å; F236-Q239 PolarHBondContact O-N 2.86Å; F236-G240 PolarHBondContact O-N 2.93Å; F236-F241 CarbonylContact C-O 3.56Å; F236-F241 WeakPolarHBondContact CA-O 3.48Å; F236-F241 HydrophobicContact CB-CD2 3.97Å; F236-F241 HydrophobicContact CB-CE2 3.7Å; F236-F241 HydrophobicContact CB-CZ 4.28Å; F236-F241 WeakPolarHBondContact CB-O 3.37Å; F236-F241 AromaticContact CD2-CD2 3.83Å; F236-F241 HydrophobicContact CD2-CD2 3.83Å; F236-F241 AromaticContact CD2-CE2 3.47Å; F236-F241 HydrophobicContact CD2-CE2 3.47Å; F236-F241 VanDerWaalsContact CD2-CE2 3.47Å; F236-F241 HydrophobicContact CE2-CE2 4.31Å; F236-F241 HydrophobicContact CG-CD2 4.27Å; F236-F241 AromaticContact CG-CE2 3.75Å; F236-F241 HydrophobicContact CG-CE2 3.75Å; F236-F241 PolarHBondContact N-O 2.95Å; F236-F241 PolarHBondContact O-N 2.81Å; F236-I243 HydrophobicContact CD2-CD1 4.16Å; F236-I243 HydrophobicContact CD2-CG1 4.08Å; F236-I243 HydrophobicContact CE2-CB 4.2Å; F236-I243 HydrophobicContact CE2-CD1 3.77Å; F236-I243 HydrophobicContact CE2-CG1 3.88Å; F236-Y282 AromaticContact CD1-CD1 3.59Å; F236-Y282 HydrophobicContact CD1-CD1 3.59Å; F236-Y282 AromaticContact CD1-CE1 3.81Å; F236-Y282 HydrophobicContact CD1-CE1 3.81Å; F236-Y282 HydrophobicContact CD2-CD1 4.01Å; F236-Y282 AromaticContact CE1-CD1 3.51Å; F236-Y282 HydrophobicContact CE1-CD1 3.51Å; F236-Y282 HydrophobicContact CE1-CE1 4.14Å; F236-Y282 HydrophobicContact CE1-CG 4.41Å; F236-Y282 AromaticContact CE2-CD1 3.93Å; F236-Y282 HydrophobicContact CE2-CD1 3.93Å; F236-Y282 AromaticContact CG-CD1 3.84Å; F236-Y282 HydrophobicContact CG-CD1 3.84Å; F236-Y282 HydrophobicContact CG-CE1 4.08Å; F236-Y282 AromaticContact CZ-CD1 3.68Å; F236-Y282 HydrophobicContact CZ-CD1 3.68Å; F236-Y282 HydrophobicContact CZ-CG 4.33Å; F236-K285 HydrophobicContact CE1-CB 4.3Å; F236-K285 HydrophobicContact CE1-CD 4.18Å; F236-K285 HydrophobicContact CZ-CB 4.32Å; F236-L286 HydrophobicContact CE2-CD2 4.03Å; F236-L286 HydrophobicContact CZ-CD2 4.16Å |
| 237 | E | 97.1 | Very high | 97.5 | Very high | 129 Ų | 129 | 43.6 Ų | 43.6 | 60% | 0.603 | 22% | 0.223 | S | C | * | . | G | 310 helix | trans | -56.3 | -43.5 | -172 | -61.8 | -171.4 | 147.2 | 0 | 0 | 112.9 | K235 Q239 G240 L261 | K235-E237 HydrophobicContact CD-CG 3.94Å; K235-E237 WeakPolarHBondContact CE-OE1 3.33Å; K235-E237 HydrophobicContact CG-CG 4.05Å; K235-E237 IonicContact NZ-OE1 3.09Å; K235-E237 PolarHBondContact NZ-OE1 3.02Å; E237-Q239 PolarHBondContact O-N 2.88Å; E237-Q239 VanDerWaalsContact O-N 3.09Å; E237-G240 PolarHBondContact O-N 3.15Å; E237-L261 HydrophobicContact CG-CD1 4.35Å |
| 238 | N | 96.5 | Very high | 97.6 | Very high | 156 Ų | 156 | 42.1 Ų | 42.1 | 83% | 0.834 | 22% | 0.217 | S | C | * | . | G | 310 helix | trans | -63.1 | -17.4 | 176.5 | -69.5 | -22 | 0 | 0 | 0 | 113.7 | F236 | F236-N238 VanDerWaalsContact C-N 3.33Å; F236-N238 PolarHBondContact O-N 3.41Å |
| 239 | Q | 97 | Very high | 97.5 | Very high | 59 Ų | 59 | 40.8 Ų | 40.8 | 28% | 0.276 | 21% | 0.214 | S | C | . | . | G | 310 helix | trans | -106.5 | -3.9 | 176 | -69.1 | 75.2 | 51.7 | 0 | 0 | 112.9 | F236 E237 F241 G268 K277 Y282 | F236-Q239 HydrophobicContact CB-CB 4.19Å; F236-Q239 CarbonylContact O-C 3.6Å; F236-Q239 WeakPolarHBondContact O-CA 3.27Å; F236-Q239 PolarHBondContact O-N 2.86Å; E237-Q239 PolarHBondContact O-N 2.88Å; E237-Q239 VanDerWaalsContact O-N 3.09Å; Q239-F241 HydrophobicContact CB-CD1 3.84Å; Q239-F241 HydrophobicContact CB-CE1 3.37Å; Q239-F241 HydrophobicContact CB-CE2 4.49Å; Q239-F241 HydrophobicContact CB-CZ 3.73Å; Q239-F241 HydrophobicContact CG-CE1 4.24Å; Q239-F241 HydrophobicContact CG-CZ 4.33Å; Q239-F241 WeakPolarHBondContact O-CD1 3.42Å; Q239-G268 VanDerWaalsContact O-CA 3.23Å; Q239-G268 WeakPolarHBondContact O-CA 3.34Å; Q239-K277 VanDerWaalsContact CG-NZ 3.3Å; Q239-Y282 HydrophobicContact CG-CE1 4.37Å |
| 240 | G | 97.5 | Very high | 97.5 | Very high | 28 Ų | 28 | 41.2 Ų | 41.2 | 29% | 0.289 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 74.2 | 22.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | F236 E237 L261 | F236-G240 PolarHBondContact O-N 2.93Å; E237-G240 PolarHBondContact O-N 3.15Å; G240-L261 PolarHBondContact O-N 2.76Å |
| 241 | F | 98.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 165.6 | 177.4 | 59.7 | -107.3 | 0 | 0 | 0 | 112.7 | F236 Q239 I243 V258 L259 G268 A269 L272 Y282 | F236-F241 CarbonylContact C-O 3.56Å; F236-F241 WeakPolarHBondContact CA-O 3.48Å; F236-F241 HydrophobicContact CB-CD2 3.97Å; F236-F241 HydrophobicContact CB-CE2 3.7Å; F236-F241 HydrophobicContact CB-CZ 4.28Å; F236-F241 WeakPolarHBondContact CB-O 3.37Å; F236-F241 AromaticContact CD2-CD2 3.83Å; F236-F241 HydrophobicContact CD2-CD2 3.83Å; F236-F241 AromaticContact CD2-CE2 3.47Å; F236-F241 HydrophobicContact CD2-CE2 3.47Å; F236-F241 VanDerWaalsContact CD2-CE2 3.47Å; F236-F241 HydrophobicContact CE2-CE2 4.31Å; F236-F241 HydrophobicContact CG-CD2 4.27Å; F236-F241 AromaticContact CG-CE2 3.75Å; F236-F241 HydrophobicContact CG-CE2 3.75Å; F236-F241 PolarHBondContact N-O 2.95Å; F236-F241 PolarHBondContact O-N 2.81Å; Q239-F241 HydrophobicContact CB-CD1 3.84Å; Q239-F241 HydrophobicContact CB-CE1 3.37Å; Q239-F241 HydrophobicContact CB-CE2 4.49Å; Q239-F241 HydrophobicContact CB-CZ 3.73Å; Q239-F241 HydrophobicContact CG-CE1 4.24Å; Q239-F241 HydrophobicContact CG-CZ 4.33Å; Q239-F241 WeakPolarHBondContact O-CD1 3.42Å; F241-I243 HydrophobicContact CD2-CD1 4.17Å; F241-I243 HydrophobicContact CD2-CG1 3.87Å; F241-I243 HydrophobicContact CE2-CD1 3.75Å; F241-I243 HydrophobicContact CE2-CG1 3.98Å; F241-V258 HydrophobicContact CB-CG1 3.91Å; F241-V258 HydrophobicContact CD1-CG1 4.3Å; F241-V258 HydrophobicContact CD2-CG1 3.78Å; F241-V258 HydrophobicContact CE2-CG1 4.37Å; F241-V258 HydrophobicContact CG-CG1 3.75Å; F241-L259 CarbonylContact C-O 3.59Å; F241-L259 WeakPolarHBondContact CA-O 3.34Å; F241-L259 VanDerWaalsContact CB-O 3.29Å; F241-L259 WeakPolarHBondContact CB-O 3.21Å; F241-G268 VanDerWaalsContact CD1-C 3.5Å; F241-G268 WeakPolarHBondContact CE1-O 3.1Å; F241-A269 HydrophobicContact CD1-CB 4.46Å; F241-L272 HydrophobicContact CE1-CD1 4.04Å; F241-L272 HydrophobicContact CE1-CG 4.46Å; F241-L272 HydrophobicContact CE2-CD1 3.83Å; F241-L272 HydrophobicContact CZ-CD1 3.52Å; F241-L272 HydrophobicContact CZ-CG 4.16Å; F241-Y282 AromaticContact CE2-CD1 3.85Å; F241-Y282 HydrophobicContact CE2-CD1 3.85Å; F241-Y282 AromaticContact CE2-CE1 3.99Å; F241-Y282 HydrophobicContact CE2-CE1 3.99Å; F241-Y282 AromaticContact CZ-CD1 3.85Å; F241-Y282 HydrophobicContact CZ-CD1 3.85Å; F241-Y282 AromaticContact CZ-CE1 3.58Å; F241-Y282 HydrophobicContact CZ-CE1 3.58Å |
| 242 | E | 98.6 | Very high | 97.3 | Very high | 24 Ų | 24 | 42.7 Ų | 42.7 | 11% | 0.112 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 158.2 | 166.7 | 56.9 | -176.4 | 160.1 | 0 | 0 | 110.7 | Y233 G234 K235 V258 L259 L261 F375 | Y233-E242 HydrophobicContact CE2-CB 3.94Å; Y233-E242 HydrophobicContact CE2-CG 4.41Å; Y233-E242 WeakPolarHBondContact CE2-OE2 3.48Å; Y233-E242 VanDerWaalsContact CZ-OE2 3.32Å; Y233-E242 PolarHBondContact OH-OE2 3.32Å; G234-E242 CarbonylContact O-C 3.53Å; G234-E242 WeakPolarHBondContact O-CA 3.32Å; K235-E242 HydrophobicContact CG-CB 4.24Å; E242-V258 WeakPolarHBondContact O-CA 3.42Å; E242-L259 HydrophobicContact CG-CB 4.14Å; E242-L259 PolarHBondContact N-O 3.38Å; E242-L259 PolarHBondContact O-N 3.14Å; E242-L261 HydrophobicContact CB-CD2 4.08Å; E242-L261 HydrophobicContact CG-CD2 3.91Å; E242-F375 HydrophobicContact CB-CE2 4.24Å; E242-F375 HydrophobicContact CG-CD2 4.19Å; E242-F375 HydrophobicContact CG-CE2 3.62Å; E242-F375 HydrophobicContact CG-CZ 4.37Å |
| 243 | I | 98.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 135.1 | -174.8 | -57 | -174.4 | 0 | 0 | 0 | 109.7 | Y233 G234 F236 F241 V256 V257 V258 L272 Y282 L286 | Y233-I243 CarbonylContact C-O 3.55Å; Y233-I243 WeakPolarHBondContact CA-O 3.44Å; Y233-I243 WeakPolarHBondContact CD2-O 3.41Å; G234-I243 PolarHBondContact N-O 3.22Å; G234-I243 PolarHBondContact O-N 3.01Å; F236-I243 HydrophobicContact CD2-CD1 4.16Å; F236-I243 HydrophobicContact CD2-CG1 4.08Å; F236-I243 HydrophobicContact CE2-CB 4.2Å; F236-I243 HydrophobicContact CE2-CD1 3.77Å; F236-I243 HydrophobicContact CE2-CG1 3.88Å; F241-I243 HydrophobicContact CD2-CD1 4.17Å; F241-I243 HydrophobicContact CD2-CG1 3.87Å; F241-I243 HydrophobicContact CE2-CD1 3.75Å; F241-I243 HydrophobicContact CE2-CG1 3.98Å; I243-V256 HydrophobicContact CG2-CG1 3.58Å; I243-V257 VanDerWaalsContact CA-O 3.25Å; I243-V257 WeakPolarHBondContact CA-O 3.23Å; I243-V258 HydrophobicContact CD1-CG2 4.04Å; I243-V258 HydrophobicContact CG1-CB 4.43Å; I243-V258 HydrophobicContact CG1-CG1 4.23Å; I243-V258 HydrophobicContact CG1-CG2 4.04Å; I243-L272 HydrophobicContact CD1-CD1 4.04Å; I243-Y282 HydrophobicContact CD1-CG 4.47Å; I243-L286 HydrophobicContact CB-CD2 3.89Å; I243-L286 HydrophobicContact CG2-CD1 4.01Å; I243-L286 HydrophobicContact CG2-CD2 4.03Å |
| 244 | V | 98.8 | Very high | 97.3 | Very high | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.006 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 141.1 | 161.7 | 72.5 | 0 | 0 | 0 | 0 | 109.4 | L231 H232 V256 V257 L293 F375 | L231-V244 HydrophobicContact CB-CG2 3.83Å; L231-V244 HydrophobicContact CD1-CG2 3.59Å; L231-V244 HydrophobicContact CG-CG2 4.35Å; H232-V244 CarbonylContact O-C 3.55Å; H232-V244 WeakPolarHBondContact O-CA 3.24Å; V244-V256 WeakPolarHBondContact O-CA 3.46Å; V244-V257 HydrophobicContact CG1-CB 3.99Å; V244-V257 HydrophobicContact CG1-CG2 4.46Å; V244-V257 PolarHBondContact N-O 3.01Å; V244-V257 PolarHBondContact O-N 3.13Å; V244-L293 HydrophobicContact CG1-CD1 4.18Å; V244-F375 HydrophobicContact CB-CD1 4.37Å; V244-F375 HydrophobicContact CB-CD2 4.13Å; V244-F375 HydrophobicContact CB-CE1 4.18Å; V244-F375 HydrophobicContact CB-CE2 3.9Å; V244-F375 HydrophobicContact CB-CG 4.35Å; V244-F375 HydrophobicContact CB-CZ 3.94Å; V244-F375 HydrophobicContact CG1-CD1 3.81Å; V244-F375 HydrophobicContact CG1-CD2 4.41Å; V244-F375 HydrophobicContact CG1-CE1 3.46Å; V244-F375 VanDerWaalsContact CG1-CE1 3.46Å; V244-F375 HydrophobicContact CG1-CE2 4.09Å; V244-F375 HydrophobicContact CG1-CG 4.28Å; V244-F375 HydrophobicContact CG1-CZ 3.62Å |
| 245 | S | 98.7 | Very high | 97.3 | Very high | 2 Ų | 2 | 37.9 Ų | 37.9 | 1% | 0.014 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 108.9 | 173.7 | 173.8 | 0 | 0 | 0 | 0 | 109 | H232 T254 | H232-S245 PolarHBondContact O-N 3.12Å; S245-T254 WeakPolarHBondContact OG-CB 3.48Å; S245-T254 PolarHBondContact OG-OG1 3.26Å |
| 246 | K | 98 | Very high | 97.3 | Very high | 4 Ų | 4 | 33 Ų | 33 | 2% | 0.017 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 121.9 | 178.1 | -177.5 | 171.2 | 176 | 61 | 0 | 110.6 | W198 S200 F202 E229 L231 F255 L293 | W198-K246 HydrophobicContact CD2-CD 4.22Å; W198-K246 HydrophobicContact CE3-CD 3.92Å; W198-K246 HydrophobicContact CE3-CG 4.1Å; W198-K246 HydrophobicContact CZ3-CD 4.3Å; W198-K246 HydrophobicContact CZ3-CG 4.45Å; S200-K246 PolarHBondContact O-NZ 3.35Å; F202-K246 HydrophobicContact CE2-CD 4.22Å; F202-K246 HydrophobicContact CZ-CD 4.16Å; E229-K246 VanDerWaalsContact CD-NZ 3.35Å; E229-K246 IonicContact OE1-NZ 3.01Å; E229-K246 PolarHBondContact OE1-NZ 3.46Å; E229-K246 IonicContact OE2-NZ 2.86Å; E229-K246 PolarHBondContact OE2-NZ 2.84Å; L231-K246 HydrophobicContact CD2-CB 4.43Å; L231-K246 HydrophobicContact CD2-CG 4.31Å; K246-F255 PolarHBondContact N-O 3.04Å; K246-F255 PolarHBondContact O-N 3.28Å; K246-L293 HydrophobicContact CD-CD2 3.94Å |
| 247 | P | 97.5 | Very high | 97.3 | Very high | 31 Ų | 31 | 32 Ų | 32 | 20% | 0.201 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 147.9 | 177.6 | -20.9 | 33.1 | 0 | 0 | 0 | 113.8 | E199 | E199-P247 HydrophobicContact CB-CB 4Å; E199-P247 PolarHBondContact N-O 3Å; E199-P247 WeakPolarHBondContact OE2-CB 3.26Å; E199-P247 WeakPolarHBondContact OE2-CG 3.36Å |
| 248 | L | 96.1 | Very high | 97.4 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 15% | 0.146 | C | C | . | . | B | Isolated β-bridge | trans | -96.3 | 164.1 | 166.1 | -66.7 | 159.3 | 0 | 0 | 0 | 109.3 | F194 D196 F197 W198 N250 F253 I353 I385 | F194-L248 HydrophobicContact CE1-CD1 3.64Å; F194-L248 HydrophobicContact CZ-CD1 3.54Å; D196-L248 HydrophobicContact CB-CB 4.47Å; D196-L248 HydrophobicContact CB-CD2 4.4Å; F197-L248 CarbonylContact O-C 3.58Å; F197-L248 WeakPolarHBondContact O-CA 3.19Å; F197-L248 WeakPolarHBondContact O-CD2 3.49Å; W198-L248 HydrophobicContact CD2-CD2 4.35Å; W198-L248 HydrophobicContact CE3-CD2 3.48Å; W198-L248 VanDerWaalsContact CE3-CD2 3.48Å; W198-L248 HydrophobicContact CE3-CG 4.33Å; W198-L248 HydrophobicContact CH2-CD2 4.41Å; W198-L248 HydrophobicContact CZ3-CD2 3.51Å; W198-L248 HydrophobicContact CZ3-CG 4.27Å; L248-N250 VanDerWaalsContact C-N 3.26Å; L248-N250 CarbonylContact O-C 3.57Å; L248-N250 PolarHBondContact O-N 2.9Å; L248-F253 HydrophobicContact CD1-CB 3.71Å; L248-F253 PolarHBondContact N-O 3.1Å; L248-I353 HydrophobicContact CD1-CD1 4.23Å; L248-I353 HydrophobicContact CD2-CD1 4Å; L248-I353 HydrophobicContact CD2-CG1 4.16Å; L248-I385 HydrophobicContact CD1-CG2 4.48Å |
| 249 | N | 94.3 | Very high | 97.5 | Very high | 92 Ų | 92 | 18.6 Ų | 18.6 | 49% | 0.492 | 11% | 0.107 | S | C | . | . | S | Bend | trans | -59.2 | -39.8 | -178.7 | 178.5 | 68.4 | 0 | 0 | 0 | 111.5 | D196 F197 T251 | D196-N249 PolarHBondContact OD2-N 2.95Å; F197-N249 HydrophobicContact CB-CB 3.93Å; F197-N249 PolarHBondContact O-N 2.89Å; N249-T251 PolarHBondContact O-N 2.96Å |
| 250 | N | 94.5 | Very high | 97.6 | Very high | 23 Ų | 23 | 15.8 Ų | 15.8 | 12% | 0.123 | 9% | 0.094 | C | C | . | . | S | Bend | trans | -77.7 | 99.2 | 159.5 | -169.9 | -47.3 | 0 | 0 | 0 | 109.3 | E103 V114 D196 L248 R252 F253 | E103-N250 PolarHBondContact OE2-ND2 3.35Å; V114-N250 HydrophobicContact CG2-CB 4.11Å; D196-N250 WeakPolarHBondContact OD2-CA 3.32Å; D196-N250 WeakPolarHBondContact OD2-CB 3.45Å; D196-N250 PolarHBondContact OD2-N 3.43Å; L248-N250 VanDerWaalsContact C-N 3.26Å; L248-N250 CarbonylContact O-C 3.57Å; L248-N250 PolarHBondContact O-N 2.9Å; N250-R252 PolarHBondContact O-N 3.02Å; N250-R252 WeakPolarHBondContact OD1-CB 3.27Å; N250-R252 PolarHBondContact OD1-N 3.31Å; N250-R252 VanDerWaalsContact OD1-N 3.17Å; N250-F253 HydrophobicContact CB-CD2 4.29Å; N250-F253 PolarHBondContact O-N 2.84Å |
| 251 | T | 92.4 | Very high | 97.6 | Very high | 91 Ų | 91 | 17.4 Ų | 17.4 | 56% | 0.558 | 10% | 0.096 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67 | -6.3 | -173.2 | 57.3 | 0 | 0 | 0 | 0 | 114.5 | N249 F253 | N249-T251 PolarHBondContact O-N 2.96Å; T251-F253 PolarHBondContact O-N 2.89Å |
| 252 | R | 96.7 | Very high | 97.4 | Very high | 19 Ų | 19 | 23.8 Ų | 23.8 | 7% | 0.072 | 13% | 0.126 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62 | -31.5 | 166 | 179.5 | 177.2 | 168.7 | 173.1 | -3.4 | 111.5 | S99 E103 N250 D387 Q388 Q389 | S99-R252 PolarHBondContact O-NH1 3.04Å; S99-R252 PolarHBondContact OG-NH1 3.39Å; S99-R252 VanDerWaalsContact OG-NH1 3.12Å; S99-R252 PolarHBondContact OG-NH2 3.1Å; E103-R252 WeakPolarHBondContact OE1-CD 3.31Å; E103-R252 IonicContact OE1-CZ 3.23Å; E103-R252 IonicContact OE1-NH1 2.65Å; E103-R252 PolarHBondContact OE1-NH1 3.16Å; N250-R252 PolarHBondContact O-N 3.02Å; N250-R252 WeakPolarHBondContact OD1-CB 3.27Å; N250-R252 PolarHBondContact OD1-N 3.31Å; N250-R252 VanDerWaalsContact OD1-N 3.17Å; R252-D387 IonicContact CZ-OD1 2.72Å; R252-D387 IonicContact CZ-OD2 2.89Å; R252-D387 VanDerWaalsContact CZ-OD2 3.29Å; R252-D387 VanDerWaalsContact NE-CG 3.33Å; R252-D387 IonicContact NE-OD1 3.29Å; R252-D387 PolarHBondContact NE-OD1 2.88Å; R252-D387 VanDerWaalsContact NE-OD1 3.09Å; R252-D387 IonicContact NE-OD2 2.77Å; R252-D387 PolarHBondContact NE-OD2 3.09Å; R252-D387 IonicContact NH2-OD1 3.79Å; R252-D387 IonicContact NH2-OD2 2.95Å; R252-D387 PolarHBondContact NH2-OD2 3.11Å; R252-Q388 WeakPolarHBondContact O-CB 3.36Å; R252-Q388 VanDerWaalsContact O-CG 3.26Å; R252-Q388 WeakPolarHBondContact O-CG 3.46Å; R252-Q388 PolarHBondContact O-N 3.44Å; R252-Q389 HydrophobicContact CG-CB 4.28Å |
| 253 | F | 98.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 138 | -176.5 | -54.5 | -69.6 | 0 | 0 | 0 | 111.1 | L100 E103 V114 V115 F194 L248 N250 T251 I385 Y386 D387 I394 | L100-F253 HydrophobicContact CD2-CE1 4.1Å; L100-F253 HydrophobicContact CD2-CZ 4.15Å; E103-F253 HydrophobicContact CB-CE2 3.88Å; E103-F253 HydrophobicContact CB-CZ 4.37Å; E103-F253 HydrophobicContact CG-CE2 3.76Å; E103-F253 HydrophobicContact CG-CZ 3.92Å; V114-F253 HydrophobicContact CB-CE2 4.2Å; V114-F253 HydrophobicContact CG1-CD2 3.66Å; V114-F253 HydrophobicContact CG1-CE2 3.59Å; V115-F253 HydrophobicContact CG2-CE1 4.09Å; V115-F253 HydrophobicContact CG2-CE2 3.98Å; V115-F253 HydrophobicContact CG2-CZ 3.54Å; F194-F253 HydrophobicContact CE2-CB 4.23Å; F194-F253 HydrophobicContact CE2-CD1 4.18Å; F194-F253 AromaticContact CE2-CD2 3.96Å; F194-F253 HydrophobicContact CE2-CD2 3.96Å; F194-F253 HydrophobicContact CE2-CE2 4.36Å; F194-F253 AromaticContact CE2-CG 3.85Å; F194-F253 HydrophobicContact CE2-CG 3.85Å; F194-F253 HydrophobicContact CZ-CB 3.95Å; F194-F253 HydrophobicContact CZ-CD2 4.04Å; F194-F253 AromaticContact CZ-CG 3.99Å; F194-F253 HydrophobicContact CZ-CG 3.99Å; L248-F253 HydrophobicContact CD1-CB 3.71Å; L248-F253 PolarHBondContact N-O 3.1Å; N250-F253 HydrophobicContact CB-CD2 4.29Å; N250-F253 PolarHBondContact O-N 2.84Å; T251-F253 PolarHBondContact O-N 2.89Å; F253-I385 HydrophobicContact CB-CG2 4.11Å; F253-I385 HydrophobicContact CD1-CG2 4.32Å; F253-I385 HydrophobicContact CG-CG2 4.49Å; F253-Y386 WeakPolarHBondContact CA-O 3.39Å; F253-D387 HydrophobicContact CD1-CB 4.14Å; F253-D387 HydrophobicContact CE1-CB 4.01Å; F253-I394 HydrophobicContact CD1-CD1 3.92Å; F253-I394 HydrophobicContact CE1-CD1 3.79Å |
| 254 | T | 98.3 | Very high | 96.3 | Very high | 9 Ų | 9 | 32 Ų | 32 | 6% | 0.055 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 142.8 | 170.5 | 64.8 | 0 | 0 | 0 | 0 | 110.3 | S245 Y386 Q388 | S245-T254 WeakPolarHBondContact OG-CB 3.48Å; S245-T254 PolarHBondContact OG-OG1 3.26Å; T254-Y386 PolarHBondContact N-O 3.17Å; T254-Y386 PolarHBondContact O-N 3.37Å; T254-Q388 HydrophobicContact CG2-CG 4.21Å; T254-Q388 VanDerWaalsContact CG2-NE2 3.34Å; T254-Q388 PolarHBondContact OG1-NE2 3.19Å; T254-Q388 VanDerWaalsContact OG1-NE2 3.1Å |
| 255 | F | 98.7 | Very high | 95.8 | Very high | 2 Ų | 2 | 34 Ų | 34 | 1% | 0.009 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 116 | 170.9 | -172.7 | -104.8 | 0 | 0 | 0 | 109.1 | W198 K246 V257 L295 L346 L348 I353 C383 I385 | W198-F255 HydrophobicContact CH2-CB 3.87Å; W198-F255 AromaticContact CH2-CD1 3.93Å; W198-F255 HydrophobicContact CH2-CD1 3.93Å; W198-F255 HydrophobicContact CH2-CD2 4.41Å; W198-F255 AromaticContact CH2-CG 3.82Å; W198-F255 HydrophobicContact CH2-CG 3.82Å; W198-F255 HydrophobicContact CZ3-CB 3.51Å; W198-F255 HydrophobicContact CZ3-CD1 4.31Å; W198-F255 AromaticContact CZ3-CG 4Å; W198-F255 HydrophobicContact CZ3-CG 4Å; K246-F255 PolarHBondContact N-O 3.04Å; K246-F255 PolarHBondContact O-N 3.28Å; F255-V257 HydrophobicContact CD1-CG2 3.79Å; F255-V257 HydrophobicContact CE1-CG2 3.32Å; F255-V257 HydrophobicContact CZ-CG2 4.24Å; F255-L295 HydrophobicContact CE1-CD1 4.39Å; F255-L295 HydrophobicContact CE1-CD2 4.2Å; F255-L346 HydrophobicContact CE2-CD2 4.38Å; F255-L348 HydrophobicContact CD1-CD2 4.23Å; F255-L348 HydrophobicContact CE1-CD2 3.53Å; F255-L348 HydrophobicContact CE2-CD1 4.2Å; F255-L348 HydrophobicContact CE2-CD2 3.94Å; F255-L348 HydrophobicContact CZ-CD1 4.29Å; F255-L348 HydrophobicContact CZ-CD2 3.37Å; F255-L348 HydrophobicContact CZ-CG 4.42Å; F255-I353 HydrophobicContact CD2-CD1 3.86Å; F255-I353 HydrophobicContact CE2-CD1 4.5Å; F255-I353 HydrophobicContact CG-CD1 4.47Å; F255-C383 HydrophobicContact CE1-CB 4.17Å; F255-C383 HydrophobicContact CE2-CB 3.87Å; F255-C383 HydrophobicContact CZ-CB 3.48Å; F255-C383 VanDerWaalsContact CZ-CB 3.48Å; F255-I385 HydrophobicContact CD2-CG1 4.22Å |
| 256 | V | 98.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 124.5 | -176.3 | 179.9 | 0 | 0 | 0 | 0 | 108.2 | I243 V244 V258 L279 I283 C383 F384 | I243-V256 HydrophobicContact CG2-CG1 3.58Å; V244-V256 WeakPolarHBondContact O-CA 3.46Å; V256-V258 HydrophobicContact CG1-CG2 4.44Å; V256-L279 HydrophobicContact CG1-CD1 4.47Å; V256-I283 HydrophobicContact CB-CD1 4.41Å; V256-I283 HydrophobicContact CG1-CD1 3.76Å; V256-I283 HydrophobicContact CG2-CD1 3.73Å; V256-C383 CarbonylContact O-C 3.59Å; V256-C383 WeakPolarHBondContact O-CA 3.43Å; V256-C383 WeakPolarHBondContact O-CB 3.36Å; V256-F384 HydrophobicContact CB-CB 4.34Å; V256-F384 HydrophobicContact CG1-CD2 4.47Å; V256-F384 PolarHBondContact N-O 3.18Å; V256-F384 PolarHBondContact O-N 3.09Å |
| 257 | V | 98.9 | Very high | 95.3 | Very high | 2 Ų | 2 | 40 Ų | 40 | 1% | 0.012 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 127 | 171.9 | -179.5 | 0 | 0 | 0 | 0 | 108.8 | I243 V244 F255 L295 F375 V377 F381 C383 | I243-V257 VanDerWaalsContact CA-O 3.25Å; I243-V257 WeakPolarHBondContact CA-O 3.23Å; V244-V257 HydrophobicContact CG1-CB 3.99Å; V244-V257 HydrophobicContact CG1-CG2 4.46Å; V244-V257 PolarHBondContact N-O 3.01Å; V244-V257 PolarHBondContact O-N 3.13Å; F255-V257 HydrophobicContact CD1-CG2 3.79Å; F255-V257 HydrophobicContact CE1-CG2 3.32Å; F255-V257 HydrophobicContact CZ-CG2 4.24Å; V257-L295 HydrophobicContact CG2-CD1 3.97Å; V257-F375 HydrophobicContact CB-CE1 4.17Å; V257-F375 HydrophobicContact CB-CZ 4.38Å; V257-F375 HydrophobicContact CG1-CE1 3.88Å; V257-F375 HydrophobicContact CG1-CZ 4.18Å; V257-V377 HydrophobicContact CG1-CG1 4.36Å; V257-V377 HydrophobicContact CG1-CG2 4.01Å; V257-F381 HydrophobicContact CG1-CB 4.44Å; V257-F381 HydrophobicContact CG1-CD2 3.78Å; V257-F381 HydrophobicContact CG1-CE2 4.39Å; V257-F381 HydrophobicContact CG1-CG 4.34Å; V257-C383 HydrophobicContact CG2-CB 4.44Å |
| 258 | V | 98.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 107.1 | 171.4 | -175 | 0 | 0 | 0 | 0 | 107.5 | F241 E242 I243 V256 A269 L272 I382 F384 | F241-V258 HydrophobicContact CB-CG1 3.91Å; F241-V258 HydrophobicContact CD1-CG1 4.3Å; F241-V258 HydrophobicContact CD2-CG1 3.78Å; F241-V258 HydrophobicContact CE2-CG1 4.37Å; F241-V258 HydrophobicContact CG-CG1 3.75Å; E242-V258 WeakPolarHBondContact O-CA 3.42Å; I243-V258 HydrophobicContact CD1-CG2 4.04Å; I243-V258 HydrophobicContact CG1-CB 4.43Å; I243-V258 HydrophobicContact CG1-CG1 4.23Å; I243-V258 HydrophobicContact CG1-CG2 4.04Å; V256-V258 HydrophobicContact CG1-CG2 4.44Å; V258-A269 HydrophobicContact CB-CB 4.49Å; V258-A269 HydrophobicContact CG1-CB 3.64Å; V258-L272 HydrophobicContact CG1-CD1 3.95Å; V258-L272 HydrophobicContact CG2-CD1 3.92Å; V258-I382 HydrophobicContact CB-CB 4.23Å; V258-I382 HydrophobicContact CB-CG2 4.4Å; V258-I382 HydrophobicContact CG2-CG2 4.47Å; V258-I382 PolarHBondContact N-O 3.09Å; V258-I382 PolarHBondContact O-N 3.18Å; V258-F384 HydrophobicContact CG2-CD2 4.29Å; V258-F384 HydrophobicContact CG2-CE2 3.85Å |
| 259 | L | 98.7 | Very high | 95.2 | Very high | 3 Ų | 3 | 39.1 Ų | 39.1 | 2% | 0.016 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 121.4 | -176.9 | -171.2 | 65.9 | 0 | 0 | 0 | 109.7 | F241 E242 F375 N376 V377 H379 F381 | F241-L259 CarbonylContact C-O 3.59Å; F241-L259 WeakPolarHBondContact CA-O 3.34Å; F241-L259 VanDerWaalsContact CB-O 3.29Å; F241-L259 WeakPolarHBondContact CB-O 3.21Å; E242-L259 HydrophobicContact CG-CB 4.14Å; E242-L259 PolarHBondContact N-O 3.38Å; E242-L259 PolarHBondContact O-N 3.14Å; L259-F375 HydrophobicContact CB-CE1 4.08Å; L259-F375 HydrophobicContact CB-CE2 4.33Å; L259-F375 HydrophobicContact CB-CZ 3.64Å; L259-F375 HydrophobicContact CD2-CD1 4.38Å; L259-F375 HydrophobicContact CD2-CE1 4.1Å; L259-F375 HydrophobicContact CD2-CZ 4.24Å; L259-N376 WeakPolarHBondContact CD2-O 3.17Å; L259-V377 HydrophobicContact CD1-CB 4.47Å; L259-V377 HydrophobicContact CD1-CG1 4.16Å; L259-V377 HydrophobicContact CD2-CG2 4.49Å; L259-H379 WeakPolarHBondContact CD1-CE1 3.32Å; L259-H379 VanDerWaalsContact CD1-NE2 3.31Å; L259-H379 WeakPolarHBondContact CD1-NE2 3.21Å; L259-F381 HydrophobicContact CD1-CB 3.94Å |
| 260 | P | 98.4 | Very high | 95.3 | Very high | 1 Ų | 1 | 36.5 Ų | 36.5 | 1% | 0.006 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -55.7 | 140.2 | 169.5 | -27.3 | 37.5 | 0 | 0 | 0 | 112.1 | E262 S265 L266 A269 H379 P380 | P260-E262 VanDerWaalsContact C-N 3.29Å; P260-E262 VanDerWaalsContact CB-O 3.27Å; P260-E262 WeakPolarHBondContact CB-O 3.14Å; P260-S265 WeakPolarHBondContact CB-O 3.47Å; P260-L266 HydrophobicContact CG-CD2 3.63Å; P260-L266 HydrophobicContact CG-CG 4.34Å; P260-A269 HydrophobicContact CG-CB 4.46Å; P260-H379 PolarHBondContact O-NE2 2.92Å; P260-P380 VanDerWaalsContact CD-O 3.31Å; P260-P380 WeakPolarHBondContact CD-O 3.23Å |
| 261 | L | 97.9 | Very high | 95.4 | Very high | 62 Ų | 62 | 38.3 Ų | 38.3 | 33% | 0.325 | 20% | 0.197 | S | C | . | . | S | Bend | trans | -72 | -29.3 | 173.5 | -64.8 | 175.8 | 0 | 0 | 0 | 111.5 | K235 E237 G240 E242 | K235-L261 HydrophobicContact CG-CD1 4.46Å; K235-L261 HydrophobicContact CG-CD2 4.24Å; E237-L261 HydrophobicContact CG-CD1 4.35Å; G240-L261 PolarHBondContact O-N 2.76Å; E242-L261 HydrophobicContact CB-CD2 4.08Å; E242-L261 HydrophobicContact CG-CD2 3.91Å |
| 262 | E | 95.1 | Very high | 95.6 | Very high | 133 Ų | 133 | 34.2 Ų | 34.2 | 62% | 0.621 | 17% | 0.172 | S | C | * | . | S | Bend | trans | -107.2 | 122.5 | 171.7 | -65.3 | 179.9 | 176.5 | 0 | 0 | 108.9 | P260 W264 S265 | P260-E262 VanDerWaalsContact C-N 3.29Å; P260-E262 VanDerWaalsContact CB-O 3.27Å; P260-E262 WeakPolarHBondContact CB-O 3.14Å; E262-W264 PolarHBondContact O-N 3.34Å; E262-S265 PolarHBondContact O-N 2.96Å |
| 263 | K | 88.3 | Confident | 95.6 | Very high | 60 Ų | 60 | 33.3 Ų | 33.3 | 26% | 0.261 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -17.1 | -163.7 | -46.5 | -172.8 | 177 | 172.5 | 0 | 116.6 | D213 H379 | D213-K263 HydrophobicContact CB-CD 4.27Å; D213-K263 IonicContact OD2-NZ 2.62Å; D213-K263 PolarHBondContact OD2-NZ 2.62Å; K263-H379 WeakPolarHBondContact CA-CD2 3.4Å; K263-H379 HydrophobicContact CB-CB 3.57Å; K263-H379 VanDerWaalsContact CB-CG 3.43Å; K263-H379 HydrophobicContact CD-CB 4.06Å; K263-H379 HydrophobicContact CG-CB 4.06Å; K263-H379 PolarHBondContact O-CD2 2.78Å |
| 264 | W | 84.9 | Confident | 95.4 | Very high | 138 Ų | 138 | 34.2 Ų | 34.2 | 52% | 0.523 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -118 | 1 | -174 | -47.4 | -97.3 | 0 | 0 | 0 | 112.4 | P216 E262 | P216-W264 HydrophobicContact CG-CG 4.34Å; E262-W264 PolarHBondContact O-N 3.34Å |
| 265 | S | 89.3 | Confident | 95.1 | Very high | 42 Ų | 42 | 34.2 Ų | 34.2 | 29% | 0.294 | 18% | 0.175 | S | C | . | . | trans | -102.8 | 76.6 | -176.8 | -166.2 | 0 | 0 | 0 | 0 | 110.6 | P260 E262 T267 | P260-S265 WeakPolarHBondContact CB-O 3.47Å; E262-S265 PolarHBondContact O-N 2.96Å; S265-T267 PolarHBondContact O-N 3.16Å | ||
| 266 | L | 92.3 | Very high | 94.8 | Very high | 23 Ų | 23 | 37.1 Ų | 37.1 | 12% | 0.12 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | -9.8 | 176.5 | -79.2 | 169.5 | 0 | 0 | 0 | 113.4 | P260 G268 A269 M270 P380 K398 I400 | P260-L266 HydrophobicContact CG-CD2 3.63Å; P260-L266 HydrophobicContact CG-CG 4.34Å; L266-G268 VanDerWaalsContact C-N 3.3Å; L266-G268 PolarHBondContact O-N 3.05Å; L266-G268 VanDerWaalsContact O-N 3.16Å; L266-A269 PolarHBondContact O-N 3.21Å; L266-A269 VanDerWaalsContact O-N 3.09Å; L266-M270 HydrophobicContact CB-CG 4.01Å; L266-M270 WeakPolarHBondContact O-CB 3.41Å; L266-M270 VanDerWaalsContact O-CG 3.23Å; L266-M270 WeakPolarHBondContact O-CG 3.15Å; L266-M270 PolarHBondContact O-N 3.42Å; L266-P380 HydrophobicContact CD1-CB 3.93Å; L266-P380 HydrophobicContact CD2-CB 4.41Å; L266-P380 HydrophobicContact CG-CB 4.36Å; L266-K398 HydrophobicContact CD1-CD 4.4Å; L266-I400 HydrophobicContact CD1-CD1 3.58Å |
| 267 | T | 93.1 | Very high | 94.5 | Very high | 108 Ų | 108 | 39.8 Ų | 39.8 | 66% | 0.663 | 20% | 0.202 | S | C | * | . | H | α-helix | trans | -48.8 | -48.5 | -172.6 | -53.3 | 0 | 0 | 0 | 0 | 113 | S265 | S265-T267 PolarHBondContact O-N 3.16Å |
| 268 | G | 95.4 | Very high | 94.2 | Very high | 12 Ų | 12 | 43.1 Ų | 43.1 | 12% | 0.124 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -65.9 | -46.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q239 F241 L266 E271 | Q239-G268 VanDerWaalsContact O-CA 3.23Å; Q239-G268 WeakPolarHBondContact O-CA 3.34Å; F241-G268 VanDerWaalsContact CD1-C 3.5Å; F241-G268 WeakPolarHBondContact CE1-O 3.1Å; L266-G268 VanDerWaalsContact C-N 3.3Å; L266-G268 PolarHBondContact O-N 3.05Å; L266-G268 VanDerWaalsContact O-N 3.16Å; G268-E271 WeakPolarHBondContact O-CB 3.41Å; G268-E271 PolarHBondContact O-N 2.8Å |
| 269 | A | 96.8 | Very high | 94.1 | Very high | 1 Ų | 1 | 43.5 Ų | 43.5 | 1% | 0.008 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -68.1 | -36.1 | -180 | 0 | 0 | 0 | 0 | 0 | 111.5 | F241 V258 P260 L266 E271 L272 L273 I382 | F241-A269 HydrophobicContact CD1-CB 4.46Å; V258-A269 HydrophobicContact CB-CB 4.49Å; V258-A269 HydrophobicContact CG1-CB 3.64Å; P260-A269 HydrophobicContact CG-CB 4.46Å; L266-A269 PolarHBondContact O-N 3.21Å; L266-A269 VanDerWaalsContact O-N 3.09Å; A269-E271 PolarHBondContact O-N 3.03Å; A269-L272 WeakPolarHBondContact O-CB 3.48Å; A269-L272 PolarHBondContact O-N 2.93Å; A269-L273 PolarHBondContact O-N 2.84Å; A269-I382 HydrophobicContact CB-CD1 3.62Å; A269-I382 HydrophobicContact CB-CG1 4.5Å; A269-I382 VanDerWaalsContact O-CD1 3.28Å; A269-I382 WeakPolarHBondContact O-CD1 3.46Å |
| 270 | M | 95.8 | Very high | 94 | Very high | 38 Ų | 38 | 44.8 Ų | 44.8 | 19% | 0.187 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -59.5 | -30.4 | 177.2 | -75.7 | -63.4 | -62.1 | 0 | 0 | 112.6 | L266 L272 L273 N274 I382 K398 | L266-M270 HydrophobicContact CB-CG 4.01Å; L266-M270 WeakPolarHBondContact O-CB 3.41Å; L266-M270 VanDerWaalsContact O-CG 3.23Å; L266-M270 WeakPolarHBondContact O-CG 3.15Å; L266-M270 PolarHBondContact O-N 3.42Å; M270-L272 PolarHBondContact O-N 3.31Å; M270-L273 HydrophobicContact CE-CD2 3.85Å; M270-L273 PolarHBondContact O-N 3.15Å; M270-L273 VanDerWaalsContact O-N 3.15Å; M270-L273 HydrophobicContact SD-CB 4.48Å; M270-L273 HydrophobicContact SD-CD2 3.63Å; M270-N274 WeakPolarHBondContact O-CB 3.48Å; M270-N274 PolarHBondContact O-N 3.23Å; M270-N274 PolarHBondContact O-ND2 2.76Å; M270-N274 PolarHBondContact O-OD1 3.22Å; M270-I382 HydrophobicContact CG-CD1 4.26Å; M270-I382 HydrophobicContact SD-CD1 3.86Å; M270-K398 HydrophobicContact SD-CD 3.72Å |
| 271 | E | 96.3 | Very high | 93.8 | Very high | 60 Ų | 60 | 48.3 Ų | 48.3 | 28% | 0.28 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -64.6 | -24.5 | 174.3 | -68.4 | -67.2 | 99.5 | 0 | 0 | 113 | G268 A269 N274 N276 K277 | G268-E271 WeakPolarHBondContact O-CB 3.41Å; G268-E271 PolarHBondContact O-N 2.8Å; A269-E271 PolarHBondContact O-N 3.03Å; E271-N274 WeakPolarHBondContact CA-OD1 3.47Å; E271-N274 PolarHBondContact O-OD1 3.23Å; E271-N274 PolarHBondContact OE1-ND2 3.5Å; E271-N276 HydrophobicContact CB-CB 4.47Å; E271-N276 PolarHBondContact O-N 3.27Å; E271-N276 VanDerWaalsContact O-N 3.12Å; E271-N276 PolarHBondContact OE1-ND2 3.33Å; E271-N276 WeakPolarHBondContact OE2-CB 3.43Å; E271-N276 PolarHBondContact OE2-ND2 3.23Å; E271-K277 HydrophobicContact CB-CB 4.44Å; E271-K277 HydrophobicContact CB-CD 3.65Å; E271-K277 HydrophobicContact CB-CG 4.04Å; E271-K277 PolarHBondContact O-N 2.94Å |
| 272 | L | 96.5 | Very high | 93.9 | Very high | 5 Ų | 5 | 46.4 Ų | 46.4 | 3% | 0.026 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -79.8 | -43.1 | 169.5 | -67.4 | 172.3 | 0 | 0 | 0 | 110.9 | F241 I243 V258 A269 M270 N274 G275 K277 L279 Y282 F384 | F241-L272 HydrophobicContact CE1-CD1 4.04Å; F241-L272 HydrophobicContact CE1-CG 4.46Å; F241-L272 HydrophobicContact CE2-CD1 3.83Å; F241-L272 HydrophobicContact CZ-CD1 3.52Å; F241-L272 HydrophobicContact CZ-CG 4.16Å; I243-L272 HydrophobicContact CD1-CD1 4.04Å; V258-L272 HydrophobicContact CG1-CD1 3.95Å; V258-L272 HydrophobicContact CG2-CD1 3.92Å; A269-L272 WeakPolarHBondContact O-CB 3.48Å; A269-L272 PolarHBondContact O-N 2.93Å; M270-L272 PolarHBondContact O-N 3.31Å; L272-N274 PolarHBondContact O-N 3Å; L272-G275 PolarHBondContact O-N 3.38Å; L272-K277 HydrophobicContact CD2-CB 3.68Å; L272-K277 HydrophobicContact CG-CB 4.39Å; L272-L279 HydrophobicContact CD1-CD1 4.27Å; L272-L279 HydrophobicContact CD2-CD1 4.34Å; L272-Y282 HydrophobicContact CD2-CD2 3.58Å; L272-Y282 HydrophobicContact CD2-CE2 3.73Å; L272-Y282 HydrophobicContact CD2-CG 4.23Å; L272-F384 HydrophobicContact CB-CE2 4.42Å; L272-F384 HydrophobicContact CB-CZ 4.18Å |
| 273 | L | 96.7 | Very high | 94 | Very high | 1 Ų | 1 | 41.1 Ų | 41.1 | 1% | 0.005 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.6 | -43.7 | -179.3 | -175 | 75.2 | 0 | 0 | 0 | 112.4 | L27 T31 F39 A269 M270 G275 I382 F384 A396 K398 | L27-L273 WeakPolarHBondContact CB-O 3.24Å; T31-L273 HydrophobicContact CG2-CD2 3.79Å; T31-L273 HydrophobicContact CG2-CG 3.75Å; F39-L273 HydrophobicContact CD1-CD2 4.3Å; A269-L273 PolarHBondContact O-N 2.84Å; M270-L273 HydrophobicContact CE-CD2 3.85Å; M270-L273 PolarHBondContact O-N 3.15Å; M270-L273 VanDerWaalsContact O-N 3.15Å; M270-L273 HydrophobicContact SD-CB 4.48Å; M270-L273 HydrophobicContact SD-CD2 3.63Å; L273-G275 PolarHBondContact O-N 3.22Å; L273-I382 HydrophobicContact CB-CD1 3.66Å; L273-I382 HydrophobicContact CB-CG1 4.24Å; L273-I382 HydrophobicContact CB-CG2 4.22Å; L273-I382 HydrophobicContact CD1-CG1 4.48Å; L273-I382 HydrophobicContact CD1-CG2 4.03Å; L273-I382 HydrophobicContact CD2-CD1 4.16Å; L273-I382 HydrophobicContact CD2-CG1 4.26Å; L273-I382 HydrophobicContact CG-CD1 4.41Å; L273-F384 HydrophobicContact CB-CZ 4.48Å; L273-F384 HydrophobicContact CD1-CE1 4.2Å; L273-F384 HydrophobicContact CD1-CZ 4.38Å; L273-A396 HydrophobicContact CD1-CB 3.86Å; L273-K398 HydrophobicContact CD2-CB 3.87Å; L273-K398 HydrophobicContact CD2-CD 4.49Å |
| 274 | N | 94.7 | Very high | 94.4 | Very high | 19 Ų | 19 | 44.5 Ų | 44.5 | 10% | 0.102 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | -3.4 | -179.4 | 70.1 | 19.8 | 0 | 0 | 0 | 113.1 | S28 T31 M270 E271 L272 N276 | S28-N274 VanDerWaalsContact CA-O 3.24Å; S28-N274 WeakPolarHBondContact CA-O 3.45Å; S28-N274 WeakPolarHBondContact CB-O 3.34Å; S28-N274 PolarHBondContact N-O 3.28Å; S28-N274 VanDerWaalsContact N-O 3.14Å; T31-N274 HydrophobicContact CG2-CB 4.38Å; T31-N274 VanDerWaalsContact OG1-CB 3.32Å; T31-N274 WeakPolarHBondContact OG1-CB 3.34Å; M270-N274 WeakPolarHBondContact O-CB 3.48Å; M270-N274 PolarHBondContact O-N 3.23Å; M270-N274 PolarHBondContact O-ND2 2.76Å; M270-N274 PolarHBondContact O-OD1 3.22Å; E271-N274 WeakPolarHBondContact CA-OD1 3.47Å; E271-N274 PolarHBondContact O-OD1 3.23Å; E271-N274 PolarHBondContact OE1-ND2 3.5Å; L272-N274 PolarHBondContact O-N 3Å; N274-N276 VanDerWaalsContact C-N 3.32Å; N274-N276 PolarHBondContact ND2-ND2 3.01Å; N274-N276 PolarHBondContact O-N 3.17Å; N274-N276 WeakPolarHBondContact OD1-CB 3.38Å; N274-N276 PolarHBondContact OD1-N 2.93Å; N274-N276 PolarHBondContact OD1-ND2 3.15Å |
| 275 | G | 91.6 | Very high | 95.1 | Very high | 9 Ų | 9 | 43.4 Ų | 43.4 | 9% | 0.093 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 75.3 | 10 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | R24 L272 L273 K277 | R24-G275 VanDerWaalsContact CD-O 3.27Å; R24-G275 WeakPolarHBondContact CD-O 3.42Å; R24-G275 WeakPolarHBondContact CG-O 3.32Å; R24-G275 PolarHBondContact NE-O 2.95Å; L272-G275 PolarHBondContact O-N 3.38Å; L273-G275 PolarHBondContact O-N 3.22Å; G275-K277 VanDerWaalsContact C-N 3.27Å; G275-K277 PolarHBondContact O-N 3.28Å |
| 276 | N | 92.2 | Very high | 95.5 | Very high | 63 Ų | 63 | 42.2 Ų | 42.2 | 34% | 0.337 | 22% | 0.215 | S | C | . | . | S | Bend | trans | -63.3 | -37.6 | 172.9 | -73.6 | -15.2 | 0 | 0 | 0 | 111.4 | E271 N274 | E271-N276 HydrophobicContact CB-CB 4.47Å; E271-N276 PolarHBondContact O-N 3.27Å; E271-N276 VanDerWaalsContact O-N 3.12Å; E271-N276 PolarHBondContact OE1-ND2 3.33Å; E271-N276 WeakPolarHBondContact OE2-CB 3.43Å; E271-N276 PolarHBondContact OE2-ND2 3.23Å; N274-N276 VanDerWaalsContact C-N 3.32Å; N274-N276 PolarHBondContact ND2-ND2 3.01Å; N274-N276 PolarHBondContact O-N 3.17Å; N274-N276 WeakPolarHBondContact OD1-CB 3.38Å; N274-N276 PolarHBondContact OD1-N 2.93Å; N274-N276 PolarHBondContact OD1-ND2 3.15Å |
| 277 | K | 93.8 | Very high | 95.8 | Very high | 56 Ų | 56 | 48.7 Ų | 48.7 | 24% | 0.243 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -105.1 | 138.7 | 169.7 | -73.1 | 171.9 | 178.5 | 164.4 | 0 | 110 | Q239 E271 L272 G275 L279 Y282 | Q239-K277 VanDerWaalsContact CG-NZ 3.3Å; E271-K277 HydrophobicContact CB-CB 4.44Å; E271-K277 HydrophobicContact CB-CD 3.65Å; E271-K277 HydrophobicContact CB-CG 4.04Å; E271-K277 PolarHBondContact O-N 2.94Å; L272-K277 HydrophobicContact CD2-CB 3.68Å; L272-K277 HydrophobicContact CG-CB 4.39Å; G275-K277 VanDerWaalsContact C-N 3.27Å; G275-K277 PolarHBondContact O-N 3.28Å; K277-L279 PolarHBondContact O-N 3.16Å; K277-Y282 HydrophobicContact CB-CE2 4Å; K277-Y282 HydrophobicContact CD-CE2 4.35Å; K277-Y282 WeakPolarHBondContact CD-OH 3.45Å; K277-Y282 HydrophobicContact CG-CE2 4.47Å |
| 278 | I | 92.4 | Very high | 96 | Very high | 71 Ų | 71 | 50.5 Ų | 50.5 | 36% | 0.364 | 24% | 0.243 | S | C | . | . | trans | -83 | 114.2 | -178 | -47 | 174.1 | 0 | 0 | 0 | 109.2 | Y13 S280 E281 Y282 | Y13-I278 HydrophobicContact CE1-CD1 3.7Å; Y13-I278 HydrophobicContact CE1-CG1 4.1Å; I278-S280 VanDerWaalsContact C-N 3.27Å; I278-S280 WeakPolarHBondContact CG2-OG 3.23Å; I278-S280 PolarHBondContact O-N 3.2Å; I278-E281 HydrophobicContact CB-CB 4.49Å; I278-E281 HydrophobicContact CB-CG 3.94Å; I278-E281 HydrophobicContact CD1-CG 4.3Å; I278-E281 HydrophobicContact CG2-CG 4.38Å; I278-E281 WeakPolarHBondContact O-CB 3.4Å; I278-E281 PolarHBondContact O-N 3.23Å; I278-Y282 WeakPolarHBondContact O-CD2 3.14Å | ||
| 279 | L | 96.3 | Very high | 96.1 | Very high | 9 Ų | 9 | 51.2 Ų | 51.2 | 5% | 0.047 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | -40.2 | -178.7 | -177.6 | 60.3 | 0 | 0 | 0 | 113.5 | V256 L272 K277 E281 Y282 I283 F384 Y386 P393 | V256-L279 HydrophobicContact CG1-CD1 4.47Å; L272-L279 HydrophobicContact CD1-CD1 4.27Å; L272-L279 HydrophobicContact CD2-CD1 4.34Å; K277-L279 PolarHBondContact O-N 3.16Å; L279-E281 PolarHBondContact O-N 3.35Å; L279-E281 VanDerWaalsContact O-N 3.16Å; L279-Y282 WeakPolarHBondContact O-CB 3.48Å; L279-Y282 PolarHBondContact O-N 3.49Å; L279-I283 HydrophobicContact CD1-CD1 4.3Å; L279-I283 HydrophobicContact CD1-CG1 4.31Å; L279-I283 HydrophobicContact CG-CD1 4.47Å; L279-I283 HydrophobicContact CG-CG1 4.07Å; L279-I283 WeakPolarHBondContact O-CG1 3.28Å; L279-I283 PolarHBondContact O-N 2.93Å; L279-F384 HydrophobicContact CD1-CD2 4.26Å; L279-F384 HydrophobicContact CD1-CE2 4.13Å; L279-F384 HydrophobicContact CD2-CB 4.03Å; L279-F384 HydrophobicContact CD2-CD1 3.99Å; L279-F384 HydrophobicContact CD2-CD2 3.62Å; L279-F384 HydrophobicContact CD2-CE1 4.35Å; L279-F384 HydrophobicContact CD2-CE2 4Å; L279-F384 HydrophobicContact CD2-CG 3.61Å; L279-F384 HydrophobicContact CD2-CZ 4.35Å; L279-Y386 HydrophobicContact CD2-CD2 3.82Å; L279-Y386 HydrophobicContact CD2-CE2 4.35Å; L279-Y386 HydrophobicContact CG-CD2 4.33Å; L279-Y386 HydrophobicContact CG-CE2 4.44Å; L279-P393 HydrophobicContact CD2-CB 4.4Å |
| 280 | S | 95.7 | Very high | 96.1 | Very high | 30 Ų | 30 | 52.4 Ų | 52.4 | 21% | 0.21 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -58.9 | -29.6 | 179.5 | 63.3 | 0 | 0 | 0 | 0 | 113.6 | I278 Y282 K284 Y386 | I278-S280 VanDerWaalsContact C-N 3.27Å; I278-S280 WeakPolarHBondContact CG2-OG 3.23Å; I278-S280 PolarHBondContact O-N 3.2Å; S280-Y282 PolarHBondContact O-N 2.77Å; S280-K284 WeakPolarHBondContact O-CG 3.46Å; S280-K284 PolarHBondContact O-N 2.79Å; S280-K284 VanDerWaalsContact O-N 3.15Å; S280-Y386 VanDerWaalsContact CB-OH 3.23Å; S280-Y386 WeakPolarHBondContact CB-OH 3.48Å |
| 281 | E | 96 | Very high | 96.2 | Very high | 74 Ų | 74 | 50.6 Ų | 50.6 | 35% | 0.346 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -69.3 | -20.9 | 177.5 | -68.7 | -65.2 | 112.3 | 0 | 0 | 113.1 | I278 L279 K284 K285 | I278-E281 HydrophobicContact CB-CB 4.49Å; I278-E281 HydrophobicContact CB-CG 3.94Å; I278-E281 HydrophobicContact CD1-CG 4.3Å; I278-E281 HydrophobicContact CG2-CG 4.38Å; I278-E281 WeakPolarHBondContact O-CB 3.4Å; I278-E281 PolarHBondContact O-N 3.23Å; L279-E281 PolarHBondContact O-N 3.35Å; L279-E281 VanDerWaalsContact O-N 3.16Å; E281-K284 WeakPolarHBondContact OE1-CE 3.48Å; E281-K284 IonicContact OE1-NZ 3.7Å; E281-K284 PolarHBondContact OE1-NZ 2.76Å; E281-K284 WeakPolarHBondContact OE2-CE 3.12Å; E281-K284 IonicContact OE2-NZ 2.75Å; E281-K284 PolarHBondContact OE2-NZ 3.24Å; E281-K285 WeakPolarHBondContact O-CD 3.35Å; E281-K285 VanDerWaalsContact O-CE 3.27Å; E281-K285 WeakPolarHBondContact O-CE 3.48Å; E281-K285 WeakPolarHBondContact O-CG 3.36Å |
| 282 | Y | 98.3 | Very high | 96.2 | Very high | 23 Ų | 23 | 48.5 Ų | 48.5 | 9% | 0.09 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -93.5 | -43.2 | 175.8 | -67.4 | -97.7 | 0 | 0 | 0 | 110.8 | F236 Q239 F241 I243 L272 K277 I278 L279 S280 K284 K285 L286 | F236-Y282 AromaticContact CD1-CD1 3.59Å; F236-Y282 HydrophobicContact CD1-CD1 3.59Å; F236-Y282 AromaticContact CD1-CE1 3.81Å; F236-Y282 HydrophobicContact CD1-CE1 3.81Å; F236-Y282 HydrophobicContact CD2-CD1 4.01Å; F236-Y282 AromaticContact CE1-CD1 3.51Å; F236-Y282 HydrophobicContact CE1-CD1 3.51Å; F236-Y282 HydrophobicContact CE1-CE1 4.14Å; F236-Y282 HydrophobicContact CE1-CG 4.41Å; F236-Y282 AromaticContact CE2-CD1 3.93Å; F236-Y282 HydrophobicContact CE2-CD1 3.93Å; F236-Y282 AromaticContact CG-CD1 3.84Å; F236-Y282 HydrophobicContact CG-CD1 3.84Å; F236-Y282 HydrophobicContact CG-CE1 4.08Å; F236-Y282 AromaticContact CZ-CD1 3.68Å; F236-Y282 HydrophobicContact CZ-CD1 3.68Å; F236-Y282 HydrophobicContact CZ-CG 4.33Å; Q239-Y282 HydrophobicContact CG-CE1 4.37Å; F241-Y282 AromaticContact CE2-CD1 3.85Å; F241-Y282 HydrophobicContact CE2-CD1 3.85Å; F241-Y282 AromaticContact CE2-CE1 3.99Å; F241-Y282 HydrophobicContact CE2-CE1 3.99Å; F241-Y282 AromaticContact CZ-CD1 3.85Å; F241-Y282 HydrophobicContact CZ-CD1 3.85Å; F241-Y282 AromaticContact CZ-CE1 3.58Å; F241-Y282 HydrophobicContact CZ-CE1 3.58Å; I243-Y282 HydrophobicContact CD1-CG 4.47Å; L272-Y282 HydrophobicContact CD2-CD2 3.58Å; L272-Y282 HydrophobicContact CD2-CE2 3.73Å; L272-Y282 HydrophobicContact CD2-CG 4.23Å; K277-Y282 HydrophobicContact CB-CE2 4Å; K277-Y282 HydrophobicContact CD-CE2 4.35Å; K277-Y282 WeakPolarHBondContact CD-OH 3.45Å; K277-Y282 HydrophobicContact CG-CE2 4.47Å; I278-Y282 WeakPolarHBondContact O-CD2 3.14Å; L279-Y282 WeakPolarHBondContact O-CB 3.48Å; L279-Y282 PolarHBondContact O-N 3.49Å; S280-Y282 PolarHBondContact O-N 2.77Å; Y282-K284 VanDerWaalsContact C-N 3.3Å; Y282-K284 PolarHBondContact O-N 3.33Å; Y282-K285 WeakPolarHBondContact O-CB 3.34Å; Y282-K285 PolarHBondContact O-N 3.02Å; Y282-L286 PolarHBondContact O-N 3.39Å |
| 283 | I | 98.2 | Very high | 96.3 | Very high | 21 Ų | 21 | 48.3 Ų | 48.3 | 11% | 0.108 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -55.4 | -43.9 | 177.1 | -62.5 | -57.3 | 0 | 0 | 0 | 111.6 | V256 L279 K285 L286 Y386 | V256-I283 HydrophobicContact CB-CD1 4.41Å; V256-I283 HydrophobicContact CG1-CD1 3.76Å; V256-I283 HydrophobicContact CG2-CD1 3.73Å; L279-I283 HydrophobicContact CD1-CD1 4.3Å; L279-I283 HydrophobicContact CD1-CG1 4.31Å; L279-I283 HydrophobicContact CG-CD1 4.47Å; L279-I283 HydrophobicContact CG-CG1 4.07Å; L279-I283 WeakPolarHBondContact O-CG1 3.28Å; L279-I283 PolarHBondContact O-N 2.93Å; I283-K285 PolarHBondContact O-N 2.78Å; I283-K285 VanDerWaalsContact O-N 3.07Å; I283-L286 HydrophobicContact CD1-CD1 3.89Å; I283-L286 WeakPolarHBondContact O-CB 3.47Å; I283-L286 WeakPolarHBondContact O-CG 3.45Å; I283-L286 PolarHBondContact O-N 3.41Å; I283-L286 VanDerWaalsContact O-N 3.16Å; I283-Y386 HydrophobicContact CG1-CE2 4.46Å; I283-Y386 HydrophobicContact CG2-CE1 4.25Å |
| 284 | K | 97.2 | Very high | 96.4 | Very high | 131 Ų | 131 | 51.6 Ų | 51.6 | 57% | 0.57 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -12.3 | 178.9 | 74.8 | -176.2 | -174 | -174.5 | 0 | 115.1 | S280 E281 Y282 | S280-K284 WeakPolarHBondContact O-CG 3.46Å; S280-K284 PolarHBondContact O-N 2.79Å; S280-K284 VanDerWaalsContact O-N 3.15Å; E281-K284 WeakPolarHBondContact OE1-CE 3.48Å; E281-K284 IonicContact OE1-NZ 3.7Å; E281-K284 PolarHBondContact OE1-NZ 2.76Å; E281-K284 WeakPolarHBondContact OE2-CE 3.12Å; E281-K284 IonicContact OE2-NZ 2.75Å; E281-K284 PolarHBondContact OE2-NZ 3.24Å; Y282-K284 VanDerWaalsContact C-N 3.3Å; Y282-K284 PolarHBondContact O-N 3.33Å |
| 285 | K | 98.5 | Very high | 96.6 | Very high | 115 Ų | 115 | 50.8 Ų | 50.8 | 50% | 0.5 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101 | -7.4 | -179.2 | -64.1 | 176.3 | -177.8 | 171.5 | 0 | 112.6 | F236 E281 Y282 I283 | F236-K285 HydrophobicContact CE1-CB 4.3Å; F236-K285 HydrophobicContact CE1-CD 4.18Å; F236-K285 HydrophobicContact CZ-CB 4.32Å; E281-K285 WeakPolarHBondContact O-CD 3.35Å; E281-K285 VanDerWaalsContact O-CE 3.27Å; E281-K285 WeakPolarHBondContact O-CE 3.48Å; E281-K285 WeakPolarHBondContact O-CG 3.36Å; Y282-K285 WeakPolarHBondContact O-CB 3.34Å; Y282-K285 PolarHBondContact O-N 3.02Å; I283-K285 PolarHBondContact O-N 2.78Å; I283-K285 VanDerWaalsContact O-N 3.07Å |
| 286 | L | 98.7 | Very high | 96.9 | Very high | 18 Ų | 18 | 50.3 Ų | 50.3 | 9% | 0.094 | 24% | 0.238 | C | C | . | . | trans | -66.8 | 150.1 | 175.2 | -52.3 | -179.2 | 0 | 0 | 0 | 109.5 | H232 Y233 F236 I243 Y282 I283 | H232-L286 HydrophobicContact CB-CB 3.86Å; H232-L286 HydrophobicContact CB-CD1 4.17Å; Y233-L286 CarbonylContact O-C 3.45Å; Y233-L286 VanDerWaalsContact O-CA 3.3Å; Y233-L286 WeakPolarHBondContact O-CA 3.32Å; F236-L286 HydrophobicContact CE2-CD2 4.03Å; F236-L286 HydrophobicContact CZ-CD2 4.16Å; I243-L286 HydrophobicContact CB-CD2 3.89Å; I243-L286 HydrophobicContact CG2-CD1 4.01Å; I243-L286 HydrophobicContact CG2-CD2 4.03Å; Y282-L286 PolarHBondContact O-N 3.39Å; I283-L286 HydrophobicContact CD1-CD1 3.89Å; I283-L286 WeakPolarHBondContact O-CB 3.47Å; I283-L286 WeakPolarHBondContact O-CG 3.45Å; I283-L286 PolarHBondContact O-N 3.41Å; I283-L286 VanDerWaalsContact O-N 3.16Å | ||
| 287 | K | 98.4 | Very high | 97.1 | Very high | 158 Ų | 158 | 50.3 Ų | 50.3 | 69% | 0.687 | 24% | 0.235 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 150.5 | 180 | -61.3 | -178.9 | -178.1 | 179.2 | 0 | 109.4 | H232 Y233 T289 | H232-K287 CarbonylContact C-O 3.5Å; H232-K287 WeakPolarHBondContact CA-O 3.37Å; Y233-K287 PolarHBondContact N-O 3.1Å; Y233-K287 PolarHBondContact O-N 3.19Å; K287-T289 PolarHBondContact O-N 3.22Å; K287-T289 PolarHBondContact O-OG1 2.87Å |
| 288 | E | 97.7 | Very high | 97.1 | Very high | 147 Ų | 147 | 47.7 Ų | 47.7 | 69% | 0.687 | 22% | 0.223 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -57.7 | 130.4 | 168.9 | -68.3 | -175.8 | 161.4 | 0 | 0 | 109.4 | V230 L231 | V230-E288 HydrophobicContact CG1-CB 3.94Å; V230-E288 HydrophobicContact CG1-CG 4.42Å; L231-E288 CarbonylContact O-C 3.48Å; L231-E288 WeakPolarHBondContact O-CA 3.28Å |
| 289 | T | 96.9 | Very high | 97.1 | Very high | 26 Ų | 26 | 44.9 Ų | 44.9 | 16% | 0.16 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 141.8 | -175.9 | -59.3 | 0 | 0 | 0 | 0 | 108 | V230 L231 Y233 K287 V291 D372 I373 | V230-T289 WeakPolarHBondContact CA-O 2.82Å; L231-T289 PolarHBondContact N-O 2.82Å; L231-T289 PolarHBondContact O-N 3.26Å; Y233-T289 HydrophobicContact CD1-CG2 4.26Å; K287-T289 PolarHBondContact O-N 3.22Å; K287-T289 PolarHBondContact O-OG1 2.87Å; T289-V291 HydrophobicContact CG2-CG2 4.25Å; T289-V291 PolarHBondContact O-N 2.87Å; T289-D372 HydrophobicContact CG2-CB 3.86Å; T289-I373 HydrophobicContact CG2-CB 4.47Å; T289-I373 HydrophobicContact CG2-CG1 3.68Å |
| 290 | T | 96.7 | Very high | 96.9 | Very high | 26 Ų | 26 | 44.7 Ų | 44.7 | 16% | 0.16 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 113.9 | 174 | -48.8 | 0 | 0 | 0 | 0 | 108.4 | V369 P371 D372 I373 | T290-V369 HydrophobicContact CG2-CG1 4.46Å; T290-P371 HydrophobicContact CG2-CB 4.3Å; T290-D372 PolarHBondContact N-OD2 2.83Å; T290-D372 PolarHBondContact O-N 2.78Å; T290-I373 PolarHBondContact O-N 2.84Å |
| 291 | V | 97.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 130.4 | -173.7 | 179.9 | 0 | 0 | 0 | 0 | 110 | E228 E229 L231 T289 L293 I373 F375 | E228-V291 WeakPolarHBondContact CA-O 3.23Å; E229-V291 PolarHBondContact N-O 3.16Å; E229-V291 VanDerWaalsContact N-O 3.09Å; E229-V291 PolarHBondContact O-N 2.9Å; L231-V291 HydrophobicContact CB-CG2 4.4Å; T289-V291 HydrophobicContact CG2-CG2 4.25Å; T289-V291 PolarHBondContact O-N 2.87Å; V291-L293 HydrophobicContact CG1-CB 4.29Å; V291-L293 PolarHBondContact O-N 3.47Å; V291-I373 WeakPolarHBondContact CA-O 3.33Å; V291-I373 HydrophobicContact CG2-CB 4.37Å; V291-F375 HydrophobicContact CG1-CB 3.48Å; V291-F375 VanDerWaalsContact CG1-CB 3.48Å; V291-F375 HydrophobicContact CG1-CG 4.46Å |
| 292 | S | 97.3 | Very high | 96.1 | Very high | 16 Ų | 16 | 45.5 Ų | 45.5 | 11% | 0.112 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 96.4 | 158.6 | 159.1 | 0 | 0 | 0 | 0 | 107.7 | I373 D374 F375 | S292-I373 PolarHBondContact N-O 3.47Å; S292-D374 PolarHBondContact OG-OD1 3.15Å; S292-D374 VanDerWaalsContact OG-OD1 3.08Å; S292-F375 PolarHBondContact O-N 3.32Å |
| 293 | L | 98.5 | Very high | 95.8 | Very high | 2 Ų | 2 | 47 Ų | 47 | 1% | 0.01 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 122.9 | -178.9 | 177.7 | 59.6 | 0 | 0 | 0 | 110 | F202 M226 K227 L231 V244 K246 V291 L295 F375 | F202-L293 HydrophobicContact CE1-CD2 4.17Å; F202-L293 HydrophobicContact CE1-CG 4.35Å; F202-L293 HydrophobicContact CZ-CD2 3.78Å; F202-L293 HydrophobicContact CZ-CG 4.32Å; M226-L293 WeakPolarHBondContact CA-O 3.23Å; K227-L293 PolarHBondContact N-O 3.07Å; K227-L293 PolarHBondContact O-N 3.17Å; L231-L293 HydrophobicContact CD1-CB 4.48Å; L231-L293 HydrophobicContact CD1-CD2 3.95Å; V244-L293 HydrophobicContact CG1-CD1 4.18Å; K246-L293 HydrophobicContact CD-CD2 3.94Å; V291-L293 HydrophobicContact CG1-CB 4.29Å; V291-L293 PolarHBondContact O-N 3.47Å; L293-L295 HydrophobicContact CD1-CB 4.43Å; L293-L295 HydrophobicContact CG-CB 4.39Å; L293-F375 HydrophobicContact CD1-CB 4.43Å; L293-F375 HydrophobicContact CD1-CD1 3.72Å; L293-F375 HydrophobicContact CD1-CE1 4.47Å; L293-F375 HydrophobicContact CD1-CG 4.42Å |
| 294 | R | 98.6 | Very high | 95.6 | Very high | 69 Ų | 69 | 46.3 Ų | 46.3 | 26% | 0.26 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 114.8 | 166 | -50.7 | -167.9 | -172.4 | -176.7 | 3.5 | 109.9 | E210 M224 M225 M226 D374 F375 N376 V377 | E210-R294 IonicContact OE1-NH1 2.8Å; E210-R294 PolarHBondContact OE1-NH1 2.88Å; E210-R294 VanDerWaalsContact OE1-NH1 3.11Å; E210-R294 IonicContact OE2-NH1 2.69Å; E210-R294 PolarHBondContact OE2-NH1 3.21Å; M224-R294 HydrophobicContact CG-CB 3.75Å; M224-R294 VanDerWaalsContact SD-C 3.56Å; M224-R294 HydrophobicContact SD-CB 3.86Å; M225-R294 VanDerWaalsContact O-CA 3.31Å; M225-R294 WeakPolarHBondContact O-CA 3.48Å; M226-R294 HydrophobicContact CG-CB 4.48Å; M226-R294 HydrophobicContact CG-CG 4.01Å; M226-R294 HydrophobicContact SD-CG 4.32Å; R294-D374 IonicContact NE-OD1 2.72Å; R294-F375 PolarHBondContact N-O 2.93Å; R294-N376 HydrophobicContact CB-CB 4.49Å; R294-V377 WeakPolarHBondContact O-CB 3.4Å; R294-V377 WeakPolarHBondContact O-CG2 3.24Å; R294-V377 PolarHBondContact O-N 2.88Å |
| 295 | L | 98.5 | Very high | 95.5 | Very high | 2 Ų | 2 | 42.5 Ų | 42.5 | 1% | 0.01 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 127.2 | -173.9 | -172.8 | 70.2 | 0 | 0 | 0 | 110.2 | F202 M224 M225 F255 V257 L293 L348 V377 | F202-L295 HydrophobicContact CE2-CD2 4.39Å; F202-L295 HydrophobicContact CZ-CB 4.21Å; F202-L295 HydrophobicContact CZ-CD2 4.23Å; M224-L295 PolarHBondContact SD-N 2.99Å; M225-L295 WeakPolarHBondContact CB-O 3.09Å; M225-L295 HydrophobicContact CE-CB 4.18Å; M225-L295 HydrophobicContact CE-CD2 4Å; M225-L295 HydrophobicContact CE-CG 4.12Å; M225-L295 PolarHBondContact N-O 3.36Å; M225-L295 PolarHBondContact O-N 2.84Å; F255-L295 HydrophobicContact CE1-CD1 4.39Å; F255-L295 HydrophobicContact CE1-CD2 4.2Å; V257-L295 HydrophobicContact CG2-CD1 3.97Å; L293-L295 HydrophobicContact CD1-CB 4.43Å; L293-L295 HydrophobicContact CG-CB 4.39Å; L295-L348 HydrophobicContact CD2-CD2 3.91Å; L295-V377 HydrophobicContact CD1-CB 4.27Å; L295-V377 HydrophobicContact CD1-CG1 4.33Å; L295-V377 HydrophobicContact CD1-CG2 4.01Å |
| 296 | P | 97.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 141.4 | 178 | 25.2 | -33.1 | 0 | 0 | 0 | 110.5 | F212 V222 M224 F298 V377 F381 P402 | F212-P296 HydrophobicContact CD2-CG 4.45Å; F212-P296 HydrophobicContact CE2-CG 4.23Å; V222-P296 HydrophobicContact CB-CB 4.5Å; V222-P296 HydrophobicContact CG2-CB 4.1Å; M224-P296 HydrophobicContact SD-CB 4.46Å; M224-P296 VanDerWaalsContact SD-N 3.44Å; P296-F298 HydrophobicContact CB-CD1 4.44Å; P296-F298 HydrophobicContact CG-CD1 4.16Å; P296-F298 VanDerWaalsContact O-CD1 3.24Å; P296-F298 WeakPolarHBondContact O-CD1 3.39Å; P296-V377 WeakPolarHBondContact CD-O 3.44Å; P296-V377 HydrophobicContact CG-CG1 4.37Å; P296-F381 HydrophobicContact CG-CE1 4.01Å; P296-F381 HydrophobicContact CG-CZ 4.25Å; P296-P402 HydrophobicContact CB-CB 4.17Å; P296-P402 HydrophobicContact CB-CG 4.37Å; P296-P402 HydrophobicContact CG-CB 4.4Å |
| 297 | K | 95.4 | Very high | 95.5 | Very high | 63 Ų | 63 | 37.1 Ų | 37.1 | 27% | 0.274 | 18% | 0.18 | S | C | . | . | trans | -76.5 | 124.8 | 162 | -179.3 | 173.8 | -173 | 157.7 | 0 | 108.3 | P223 M225 L348 N349 E350 | P223-K297 HydrophobicContact CB-CB 4.09Å; P223-K297 HydrophobicContact CB-CD 4.42Å; P223-K297 HydrophobicContact CG-CB 4.45Å; P223-K297 PolarHBondContact O-N 2.93Å; M225-K297 HydrophobicContact CG-CB 4.25Å; M225-K297 HydrophobicContact SD-CB 4.26Å; K297-L348 WeakPolarHBondContact CG-O 3.24Å; K297-N349 HydrophobicContact CD-CB 4.42Å; K297-N349 HydrophobicContact CG-CB 4.4Å; K297-E350 IonicContact NZ-OE1 2.61Å; K297-E350 IonicContact NZ-OE2 3.11Å; K297-E350 PolarHBondContact NZ-OE2 2.91Å | ||
| 298 | F | 94.7 | Very high | 95.5 | Very high | 1 Ų | 1 | 34.4 Ų | 34.4 | 0% | 0.004 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155 | 163.5 | -177.9 | 68.2 | -94 | 0 | 0 | 0 | 112.6 | P296 L300 L346 K347 L348 F381 V399 P402 I403 | P296-F298 HydrophobicContact CB-CD1 4.44Å; P296-F298 HydrophobicContact CG-CD1 4.16Å; P296-F298 VanDerWaalsContact O-CD1 3.24Å; P296-F298 WeakPolarHBondContact O-CD1 3.39Å; F298-L300 HydrophobicContact CD2-CD2 4.47Å; F298-L300 HydrophobicContact CD2-CG 3.83Å; F298-L300 HydrophobicContact CE2-CD1 4.11Å; F298-L300 HydrophobicContact CE2-CG 3.77Å; F298-L346 HydrophobicContact CE2-CD2 4.23Å; F298-L346 HydrophobicContact CE2-CG 4.48Å; F298-L346 HydrophobicContact CZ-CD2 4.42Å; F298-K347 CarbonylContact O-C 3.52Å; F298-K347 WeakPolarHBondContact O-CA 3.33Å; F298-L348 HydrophobicContact CD1-CB 4.47Å; F298-L348 HydrophobicContact CE1-CB 4.26Å; F298-L348 HydrophobicContact CE1-CD1 4.27Å; F298-L348 HydrophobicContact CE1-CD2 3.83Å; F298-L348 HydrophobicContact CE1-CG 4.34Å; F298-L348 HydrophobicContact CE2-CD1 4.06Å; F298-L348 HydrophobicContact CZ-CD1 3.73Å; F298-L348 HydrophobicContact CZ-CD2 3.99Å; F298-L348 HydrophobicContact CZ-CG 4.29Å; F298-L348 PolarHBondContact N-O 3.08Å; F298-L348 PolarHBondContact O-N 2.81Å; F298-F381 HydrophobicContact CD1-CZ 4.47Å; F298-F381 HydrophobicContact CE1-CE2 4.44Å; F298-F381 AromaticContact CE1-CZ 3.76Å; F298-F381 HydrophobicContact CE1-CZ 3.76Å; F298-F381 HydrophobicContact CZ-CZ 4.16Å; F298-V399 HydrophobicContact CE2-CG2 4.37Å; F298-V399 HydrophobicContact CZ-CG2 4.2Å; F298-P402 HydrophobicContact CB-CB 3.54Å; F298-P402 HydrophobicContact CD1-CB 4.34Å; F298-P402 HydrophobicContact CG-CB 4.1Å; F298-I403 CarbonylContact C-O 3.57Å; F298-I403 WeakPolarHBondContact CA-O 3.46Å |
| 299 | T | 92.2 | Very high | 95.5 | Very high | 12 Ų | 12 | 27.4 Ų | 27.4 | 7% | 0.074 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 122.4 | 169.3 | -61.6 | 0 | 0 | 0 | 0 | 109.2 | K301 L346 K347 I403 S405 | T299-K301 HydrophobicContact CG2-CD 4.28Å; T299-K301 HydrophobicContact CG2-CG 3.91Å; T299-L346 CarbonylContact C-O 3.49Å; T299-L346 WeakPolarHBondContact CA-O 3.37Å; T299-K347 HydrophobicContact CG2-CB 4.29Å; T299-K347 WeakPolarHBondContact OG1-CG 3.4Å; T299-I403 PolarHBondContact N-O 2.61Å; T299-I403 WeakPolarHBondContact O-CB 3.2Å; T299-S405 WeakPolarHBondContact OG1-CB 3.35Å; T299-S405 PolarHBondContact OG1-OG 2.85Å |
| 300 | L | 91.4 | Very high | 95.6 | Very high | 4 Ų | 4 | 26.2 Ų | 26.2 | 2% | 0.021 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 132 | 164.4 | -69.4 | -172.9 | 0 | 0 | 0 | 109.6 | N38 L40 F298 I345 L346 A397 V399 | N38-L300 HydrophobicContact CB-CD2 4Å; N38-L300 VanDerWaalsContact ND2-CD2 3.28Å; N38-L300 WeakPolarHBondContact ND2-CD2 3.4Å; L40-L300 HydrophobicContact CD2-CB 4.14Å; F298-L300 HydrophobicContact CD2-CD2 4.47Å; F298-L300 HydrophobicContact CD2-CG 3.83Å; F298-L300 HydrophobicContact CE2-CD1 4.11Å; F298-L300 HydrophobicContact CE2-CG 3.77Å; L300-I345 CarbonylContact O-C 3.6Å; L300-I345 WeakPolarHBondContact O-CA 3.33Å; L300-L346 HydrophobicContact CB-CB 4.39Å; L300-L346 PolarHBondContact N-O 3.4Å; L300-L346 PolarHBondContact O-N 3.48Å; L300-A397 HydrophobicContact CD1-CB 4.34Å; L300-V399 HydrophobicContact CD1-CG2 3.88Å |
| 301 | K | 87.8 | Confident | 95.7 | Very high | 93 Ų | 93 | 28.2 Ų | 28.2 | 40% | 0.404 | 14% | 0.136 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 131.7 | 169.6 | -61.4 | -176.3 | -178.1 | -177.1 | 0 | 107.5 | L171 L172 T299 N344 I345 | L171-K301 PolarHBondContact O-NZ 3.14Å; L172-K301 HydrophobicContact CD2-CB 4.3Å; L172-K301 HydrophobicContact CD2-CD 4.18Å; T299-K301 HydrophobicContact CG2-CD 4.28Å; T299-K301 HydrophobicContact CG2-CG 3.91Å; K301-N344 WeakPolarHBondContact CA-O 3.39Å; K301-I345 HydrophobicContact CG-CG1 4.17Å; K301-I345 HydrophobicContact CG-CG2 4.07Å |
| 302 | N | 89 | Confident | 95.7 | Very high | 28 Ų | 28 | 30.7 Ų | 30.7 | 15% | 0.15 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 158.3 | 170.9 | 72.9 | -17.9 | 0 | 0 | 0 | 111.7 | L40 L304 T343 N344 | L40-N302 PolarHBondContact N-ND2 2.82Å; L40-N302 PolarHBondContact O-ND2 3.39Å; L40-N302 PolarHBondContact O-OD1 2.98Å; N302-L304 WeakPolarHBondContact ND2-CD2 3.37Å; N302-T343 VanDerWaalsContact O-CA 3.26Å; N302-T343 WeakPolarHBondContact O-CA 3.39Å; N302-T343 PolarHBondContact O-OG1 2.92Å; N302-N344 PolarHBondContact N-O 3.42Å; N302-N344 PolarHBondContact O-N 2.87Å; N302-N344 VanDerWaalsContact O-N 3.09Å; N302-N344 PolarHBondContact OD1-ND2 3.28Å |
| 303 | T | 91.3 | Very high | 95.7 | Very high | 55 Ų | 55 | 31.4 Ų | 31.4 | 34% | 0.337 | 16% | 0.155 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 121.8 | 170.9 | -66.9 | 0 | 0 | 0 | 0 | 107.2 | F175 M341 Q342 T343 | F175-T303 HydrophobicContact CD2-CG2 3.84Å; F175-T303 HydrophobicContact CE2-CG2 3.37Å; F175-T303 HydrophobicContact CZ-CG2 4.11Å; T303-M341 HydrophobicContact CG2-CE 3.46Å; T303-M341 VanDerWaalsContact CG2-CE 3.46Å; T303-Q342 CarbonylContact C-O 3.55Å; T303-Q342 WeakPolarHBondContact CA-O 3.29Å; T303-T343 PolarHBondContact OG1-OG1 3.33Å |
| 304 | L | 93.9 | Very high | 95.7 | Very high | 7 Ų | 7 | 33 Ų | 33 | 4% | 0.037 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 125.7 | -176.9 | -57 | -177.8 | 0 | 0 | 0 | 109.3 | F34 F39 N302 L306 M341 Q342 | F34-L304 HydrophobicContact CD1-CD2 3.67Å; F34-L304 HydrophobicContact CD2-CD1 4.32Å; F34-L304 HydrophobicContact CD2-CD2 3.95Å; F34-L304 HydrophobicContact CE1-CB 4.21Å; F34-L304 HydrophobicContact CE1-CD2 3.76Å; F34-L304 HydrophobicContact CE2-CB 4.16Å; F34-L304 HydrophobicContact CE2-CD1 4.17Å; F34-L304 HydrophobicContact CE2-CD2 4.05Å; F34-L304 HydrophobicContact CE2-CG 4.37Å; F34-L304 HydrophobicContact CG-CD2 3.78Å; F34-L304 HydrophobicContact CZ-CB 3.8Å; F34-L304 HydrophobicContact CZ-CD2 3.96Å; F34-L304 HydrophobicContact CZ-CG 4.34Å; F39-L304 HydrophobicContact CE2-CD1 3.9Å; F39-L304 HydrophobicContact CE2-CD2 4.43Å; N302-L304 WeakPolarHBondContact ND2-CD2 3.37Å; L304-L306 HydrophobicContact CB-CD2 3.85Å; L304-L306 HydrophobicContact CB-CG 4.04Å; L304-L306 HydrophobicContact CD1-CD2 4.22Å; L304-M341 CarbonylContact O-C 3.57Å; L304-M341 VanDerWaalsContact O-CA 3.26Å; L304-M341 WeakPolarHBondContact O-CA 3.28Å; L304-Q342 PolarHBondContact N-O 2.85Å; L304-Q342 PolarHBondContact O-N 3.36Å |
| 305 | D | 95.5 | Very high | 95.7 | Very high | 51 Ų | 51 | 29.7 Ų | 29.7 | 27% | 0.273 | 16% | 0.16 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 106.8 | 164.3 | -173.2 | -20.2 | 0 | 0 | 0 | 108.8 | F34 V307 K339 M341 | F34-D305 WeakPolarHBondContact CZ-O 3.23Å; D305-V307 WeakPolarHBondContact OD1-CG2 2.97Å; D305-V307 PolarHBondContact OD1-N 3.22Å; D305-K339 VanDerWaalsContact OD2-CD 3.3Å; D305-K339 WeakPolarHBondContact OD2-CD 3.49Å; D305-K339 IonicContact OD2-NZ 3.92Å; D305-K339 PolarHBondContact OD2-NZ 2.76Å; D305-M341 HydrophobicContact CB-CE 3.95Å; D305-M341 HydrophobicContact CB-SD 3.72Å |
| 306 | L | 98.2 | Very high | 95.7 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 18% | 0.178 | C | C | . | . | trans | -94.5 | 4.1 | -167.6 | -64 | 172.1 | 0 | 0 | 0 | 113.5 | F26 F34 I46 L304 Q308 T309 L310 F340 Q342 | F26-L306 HydrophobicContact CE2-CD1 4.27Å; F26-L306 HydrophobicContact CE2-CD2 4Å; F26-L306 HydrophobicContact CZ-CD1 4.2Å; F26-L306 HydrophobicContact CZ-CD2 3.89Å; F34-L306 HydrophobicContact CE2-CD2 3.62Å; F34-L306 HydrophobicContact CZ-CD2 3.9Å; I46-L306 HydrophobicContact CD1-CD1 3.19Å; I46-L306 HydrophobicContact CG1-CD1 3.86Å; I46-L306 HydrophobicContact CG2-CD1 4.44Å; L304-L306 HydrophobicContact CB-CD2 3.85Å; L304-L306 HydrophobicContact CB-CG 4.04Å; L304-L306 HydrophobicContact CD1-CD2 4.22Å; L306-Q308 VanDerWaalsContact C-N 3.32Å; L306-Q308 PolarHBondContact O-N 2.79Å; L306-T309 PolarHBondContact O-N 2.7Å; L306-L310 HydrophobicContact CB-CD1 4.19Å; L306-L310 HydrophobicContact CB-CG 4.26Å; L306-L310 WeakPolarHBondContact O-CB 3.38Å; L306-L310 VanDerWaalsContact O-CG 3.27Å; L306-L310 WeakPolarHBondContact O-CG 3.49Å; L306-L310 PolarHBondContact O-N 3.09Å; L306-F340 HydrophobicContact CB-CD1 4.11Å; L306-F340 WeakPolarHBondContact CB-O 3.36Å; L306-F340 HydrophobicContact CD1-CD1 4.13Å; L306-F340 HydrophobicContact CD1-CE1 4.25Å; L306-F340 PolarHBondContact N-O 2.65Å; L306-Q342 HydrophobicContact CD1-CB 3.76Å | ||
| 307 | V | 98.4 | Very high | 95.7 | Very high | 20 Ų | 20 | 33.9 Ų | 33.9 | 12% | 0.121 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -54.1 | -49.3 | -178.5 | 171.4 | 0 | 0 | 0 | 0 | 111 | D305 L310 K311 F319 F340 | D305-V307 WeakPolarHBondContact OD1-CG2 2.97Å; D305-V307 PolarHBondContact OD1-N 3.22Å; V307-L310 PolarHBondContact O-N 3.16Å; V307-K311 HydrophobicContact CG1-CD 4.14Å; V307-K311 WeakPolarHBondContact O-CB 3.37Å; V307-K311 VanDerWaalsContact O-CG 3.3Å; V307-K311 WeakPolarHBondContact O-CG 3.3Å; V307-K311 PolarHBondContact O-N 3.25Å; V307-F319 HydrophobicContact CB-CD1 4.36Å; V307-F319 HydrophobicContact CB-CE1 4.48Å; V307-F319 HydrophobicContact CG1-CB 4.01Å; V307-F319 HydrophobicContact CG1-CD1 3.96Å; V307-F319 HydrophobicContact CG1-CD2 4.12Å; V307-F319 HydrophobicContact CG1-CE1 4.5Å; V307-F319 HydrophobicContact CG1-CG 3.76Å; V307-F319 HydrophobicContact CG2-CD1 3.84Å; V307-F319 HydrophobicContact CG2-CE1 3.89Å; V307-F319 HydrophobicContact CG2-CG 4.48Å; V307-F340 HydrophobicContact CG2-CB 4.32Å |
| 308 | Q | 97.7 | Very high | 95.9 | Very high | 101 Ų | 101 | 30.9 Ų | 30.9 | 47% | 0.472 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -70.6 | -39.2 | -178.3 | -172.7 | 57.3 | 24 | 0 | 0 | 112.3 | E33 L306 L310 K311 S312 | E33-Q308 WeakPolarHBondContact OE1-CG 3.08Å; L306-Q308 VanDerWaalsContact C-N 3.32Å; L306-Q308 PolarHBondContact O-N 2.79Å; Q308-L310 PolarHBondContact O-N 3.26Å; Q308-K311 PolarHBondContact O-N 3.03Å; Q308-S312 PolarHBondContact O-N 3.26Å |
| 309 | T | 98 | Very high | 96.1 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -57.7 | -48.8 | 173.9 | -53.9 | 0 | 0 | 0 | 0 | 110.9 | F26 K29 L306 S312 M313 | F26-T309 HydrophobicContact CD2-CG2 4.3Å; F26-T309 HydrophobicContact CE2-CG2 4.05Å; K29-T309 HydrophobicContact CB-CG2 3.81Å; L306-T309 PolarHBondContact O-N 2.7Å; T309-S312 WeakPolarHBondContact O-CB 3.35Å; T309-S312 PolarHBondContact O-N 3.28Å; T309-S312 PolarHBondContact O-OG 3.39Å; T309-M313 WeakPolarHBondContact O-CG 3.33Å; T309-M313 PolarHBondContact O-N 3.44Å |
| 310 | L | 98.7 | Very high | 96.4 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -70 | -36.7 | -178.6 | -66.4 | 176.4 | 0 | 0 | 0 | 112.4 | I46 L50 L306 V307 Q308 S312 M313 G314 I315 F319 F340 | I46-L310 HydrophobicContact CG2-CD2 3.96Å; L50-L310 HydrophobicContact CD1-CD2 4.03Å; L50-L310 HydrophobicContact CD2-CD1 4.48Å; L306-L310 HydrophobicContact CB-CD1 4.19Å; L306-L310 HydrophobicContact CB-CG 4.26Å; L306-L310 WeakPolarHBondContact O-CB 3.38Å; L306-L310 VanDerWaalsContact O-CG 3.27Å; L306-L310 WeakPolarHBondContact O-CG 3.49Å; L306-L310 PolarHBondContact O-N 3.09Å; V307-L310 PolarHBondContact O-N 3.16Å; Q308-L310 PolarHBondContact O-N 3.26Å; L310-S312 VanDerWaalsContact C-N 3.29Å; L310-S312 PolarHBondContact O-N 2.79Å; L310-M313 HydrophobicContact CD2-SD 4.1Å; L310-M313 WeakPolarHBondContact O-CA 3.42Å; L310-M313 WeakPolarHBondContact O-CB 3.11Å; L310-M313 PolarHBondContact O-N 3.23Å; L310-G314 PolarHBondContact O-N 2.9Å; L310-I315 HydrophobicContact CB-CB 4.42Å; L310-I315 HydrophobicContact CD2-CD1 4.28Å; L310-I315 PolarHBondContact O-N 2.94Å; L310-F319 HydrophobicContact CB-CE2 3.71Å; L310-F319 HydrophobicContact CB-CZ 3.93Å; L310-F319 HydrophobicContact CD1-CE2 4.41Å; L310-F319 HydrophobicContact CD1-CZ 3.77Å; L310-F340 HydrophobicContact CD1-CB 4.25Å; L310-F340 HydrophobicContact CD1-CD1 3.89Å; L310-F340 HydrophobicContact CD1-CD2 3.62Å; L310-F340 HydrophobicContact CD1-CE1 4.08Å; L310-F340 HydrophobicContact CD1-CE2 3.8Å; L310-F340 HydrophobicContact CD1-CG 3.65Å; L310-F340 HydrophobicContact CD1-CZ 4Å |
| 311 | K | 98.6 | Very high | 96.6 | Very high | 69 Ų | 69 | 36.9 Ų | 36.9 | 30% | 0.3 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -56.5 | -43.6 | 168.4 | -78 | 178.6 | 178.2 | 176.6 | 0 | 111.7 | V307 Q308 M313 G314 I315 V316 F319 | V307-K311 HydrophobicContact CG1-CD 4.14Å; V307-K311 WeakPolarHBondContact O-CB 3.37Å; V307-K311 VanDerWaalsContact O-CG 3.3Å; V307-K311 WeakPolarHBondContact O-CG 3.3Å; V307-K311 PolarHBondContact O-N 3.25Å; Q308-K311 PolarHBondContact O-N 3.03Å; K311-M313 PolarHBondContact O-N 2.83Å; K311-G314 WeakPolarHBondContact O-CA 3.43Å; K311-G314 PolarHBondContact O-N 2.78Å; K311-I315 VanDerWaalsContact CA-O 3.31Å; K311-I315 WeakPolarHBondContact CA-O 3.37Å; K311-I315 PolarHBondContact N-O 2.84Å; K311-V316 HydrophobicContact CB-CG2 4.48Å; K311-F319 VanDerWaalsContact CE-CB 3.42Å; K311-F319 HydrophobicContact CG-CD2 3.82Å; K311-F319 HydrophobicContact CG-CE2 4.44Å |
| 312 | S | 97.6 | Very high | 97.1 | Very high | 51 Ų | 51 | 38.2 Ų | 38.2 | 36% | 0.357 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -67.2 | -18.5 | 177.9 | 87.6 | 0 | 0 | 0 | 0 | 113.9 | K29 Q308 T309 L310 G314 | K29-S312 WeakPolarHBondContact CD-OG 3.43Å; K29-S312 WeakPolarHBondContact CG-OG 3.21Å; Q308-S312 PolarHBondContact O-N 3.26Å; T309-S312 WeakPolarHBondContact O-CB 3.35Å; T309-S312 PolarHBondContact O-N 3.28Å; T309-S312 PolarHBondContact O-OG 3.39Å; L310-S312 VanDerWaalsContact C-N 3.29Å; L310-S312 PolarHBondContact O-N 2.79Å; S312-G314 VanDerWaalsContact C-N 3.33Å |
| 313 | M | 97.4 | Very high | 97.5 | Very high | 31 Ų | 31 | 39 Ų | 39 | 15% | 0.153 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | -2.2 | 171.4 | -64.3 | 177.8 | 69.5 | 0 | 0 | 112.9 | F22 A25 F26 K29 T309 L310 K311 | F22-M313 HydrophobicContact CD2-CE 3.92Å; F22-M313 HydrophobicContact CE2-CE 3.64Å; F22-M313 HydrophobicContact CZ-CE 4.34Å; A25-M313 HydrophobicContact CB-CE 4.06Å; F26-M313 HydrophobicContact CB-CE 4.01Å; F26-M313 HydrophobicContact CB-SD 4.12Å; F26-M313 HydrophobicContact CD2-SD 3.93Å; K29-M313 HydrophobicContact CB-CG 4.27Å; K29-M313 HydrophobicContact CG-CG 3.74Å; T309-M313 WeakPolarHBondContact O-CG 3.33Å; T309-M313 PolarHBondContact O-N 3.44Å; L310-M313 HydrophobicContact CD2-SD 4.1Å; L310-M313 WeakPolarHBondContact O-CA 3.42Å; L310-M313 WeakPolarHBondContact O-CB 3.11Å; L310-M313 PolarHBondContact O-N 3.23Å; K311-M313 PolarHBondContact O-N 2.83Å |
| 314 | G | 98.1 | Very high | 97.9 | Very high | 36 Ų | 36 | 36.5 Ų | 36.5 | 37% | 0.371 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 97.9 | 4.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115 | Q66 L310 K311 S312 V316 | Q66-G314 WeakPolarHBondContact CG-O 3.28Å; Q66-G314 PolarHBondContact OE1-O 3.33Å; L310-G314 PolarHBondContact O-N 2.9Å; K311-G314 WeakPolarHBondContact O-CA 3.43Å; K311-G314 PolarHBondContact O-N 2.78Å; S312-G314 VanDerWaalsContact C-N 3.33Å; G314-V316 PolarHBondContact O-N 2.82Å |
| 315 | I | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 23% | 0.23 | C | C | . | . | trans | -90 | 85.7 | 174.1 | -49.2 | 178.1 | 0 | 0 | 0 | 108.1 | L50 I67 A70 L310 K311 L318 F319 | L50-I315 HydrophobicContact CD1-CD1 3.63Å; L50-I315 HydrophobicContact CD2-CD1 3.78Å; L50-I315 HydrophobicContact CG-CD1 4.37Å; I67-I315 HydrophobicContact CG1-CD1 4.38Å; I67-I315 HydrophobicContact CG1-CG2 3.99Å; A70-I315 HydrophobicContact CB-CD1 3.69Å; A70-I315 HydrophobicContact CB-CG1 3.66Å; L310-I315 HydrophobicContact CB-CB 4.42Å; L310-I315 HydrophobicContact CD2-CD1 4.28Å; L310-I315 PolarHBondContact O-N 2.94Å; K311-I315 VanDerWaalsContact CA-O 3.31Å; K311-I315 WeakPolarHBondContact CA-O 3.37Å; K311-I315 PolarHBondContact N-O 2.84Å; I315-L318 HydrophobicContact CG2-CB 3.75Å; I315-L318 HydrophobicContact CG2-CD2 3.92Å; I315-F319 HydrophobicContact CB-CE2 4.48Å; I315-F319 HydrophobicContact CG2-CE2 4.15Å; I315-F319 VanDerWaalsContact O-CD2 3.28Å; I315-F319 WeakPolarHBondContact O-CD2 3.45Å; I315-F319 VanDerWaalsContact O-CE2 3.31Å; I315-F319 WeakPolarHBondContact O-CE2 3.25Å | ||
| 316 | V | 98.8 | Very high | 98.2 | Very high | 64 Ų | 64 | 36.6 Ų | 36.6 | 39% | 0.388 | 22% | 0.218 | S | C | . | . | trans | -105.4 | -43.3 | -172.4 | -177 | 0 | 0 | 0 | 0 | 111.8 | K311 G314 L318 F319 | K311-V316 HydrophobicContact CB-CG2 4.48Å; G314-V316 PolarHBondContact O-N 2.82Å; V316-L318 VanDerWaalsContact C-N 3.28Å; V316-L318 PolarHBondContact O-N 3.34Å; V316-F319 PolarHBondContact O-N 2.87Å | ||
| 317 | D | 98.8 | Very high | 98.2 | Very high | 26 Ų | 26 | 38.4 Ų | 38.4 | 14% | 0.139 | 23% | 0.231 | C | C | . | . | G | 310 helix | trans | -65.2 | -35.6 | -173.1 | -66.2 | 9.2 | 0 | 0 | 0 | 110.7 | K62 T63 Q66 F319 N320 A323 A324 | K62-D317 VanDerWaalsContact CB-OD2 3.26Å; K62-D317 WeakPolarHBondContact CB-OD2 3.4Å; T63-D317 WeakPolarHBondContact OG1-CB 3.13Å; Q66-D317 PolarHBondContact NE2-OD1 2.84Å; Q66-D317 PolarHBondContact NE2-OD2 3.28Å; D317-F319 PolarHBondContact O-N 3.06Å; D317-N320 PolarHBondContact O-N 2.78Å; D317-A323 HydrophobicContact CB-CB 4.21Å; D317-A324 WeakPolarHBondContact O-CA 3.39Å; D317-A324 WeakPolarHBondContact O-CB 3.49Å; D317-A324 PolarHBondContact O-N 3.02Å |
| 318 | L | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 23% | 0.231 | C | C | . | . | G | 310 helix | trans | -52.8 | -31.3 | 179.9 | -177 | 61.6 | 0 | 0 | 0 | 113.6 | L50 L53 T63 I67 I315 V316 L326 V337 | L50-L318 HydrophobicContact CD2-CD2 4.24Å; L53-L318 HydrophobicContact CD1-CD1 3.91Å; L53-L318 HydrophobicContact CD1-CD2 3.89Å; T63-L318 HydrophobicContact CG2-CB 3.92Å; T63-L318 HydrophobicContact CG2-CD1 3.93Å; I67-L318 HydrophobicContact CD1-CD2 4.31Å; I315-L318 HydrophobicContact CG2-CB 3.75Å; I315-L318 HydrophobicContact CG2-CD2 3.92Å; V316-L318 VanDerWaalsContact C-N 3.28Å; V316-L318 PolarHBondContact O-N 3.34Å; L318-L326 HydrophobicContact CD1-CD1 4.24Å; L318-L326 HydrophobicContact CD1-CD2 3.77Å; L318-L326 HydrophobicContact CD1-CG 4.39Å; L318-V337 HydrophobicContact CD1-CB 4.41Å; L318-V337 HydrophobicContact CD1-CG2 3.64Å; L318-V337 HydrophobicContact CD2-CG2 4.38Å; L318-V337 HydrophobicContact CG-CB 4.16Å; L318-V337 HydrophobicContact CG-CG2 3.87Å; L318-V337 PolarHBondContact O-N 2.87Å |
| 319 | F | 98.7 | Very high | 98.2 | Very high | 13 Ų | 13 | 33.2 Ų | 33.2 | 6% | 0.057 | 21% | 0.208 | C | C | . | . | G | 310 helix | trans | -109.1 | 15.9 | -175.1 | -51 | -67.1 | 0 | 0 | 0 | 112.4 | V307 L310 K311 I315 V316 D317 V337 F340 | V307-F319 HydrophobicContact CB-CD1 4.36Å; V307-F319 HydrophobicContact CB-CE1 4.48Å; V307-F319 HydrophobicContact CG1-CB 4.01Å; V307-F319 HydrophobicContact CG1-CD1 3.96Å; V307-F319 HydrophobicContact CG1-CD2 4.12Å; V307-F319 HydrophobicContact CG1-CE1 4.5Å; V307-F319 HydrophobicContact CG1-CG 3.76Å; V307-F319 HydrophobicContact CG2-CD1 3.84Å; V307-F319 HydrophobicContact CG2-CE1 3.89Å; V307-F319 HydrophobicContact CG2-CG 4.48Å; L310-F319 HydrophobicContact CB-CE2 3.71Å; L310-F319 HydrophobicContact CB-CZ 3.93Å; L310-F319 HydrophobicContact CD1-CE2 4.41Å; L310-F319 HydrophobicContact CD1-CZ 3.77Å; K311-F319 VanDerWaalsContact CE-CB 3.42Å; K311-F319 HydrophobicContact CG-CD2 3.82Å; K311-F319 HydrophobicContact CG-CE2 4.44Å; I315-F319 HydrophobicContact CB-CE2 4.48Å; I315-F319 HydrophobicContact CG2-CE2 4.15Å; I315-F319 VanDerWaalsContact O-CD2 3.28Å; I315-F319 WeakPolarHBondContact O-CD2 3.45Å; I315-F319 VanDerWaalsContact O-CE2 3.31Å; I315-F319 WeakPolarHBondContact O-CE2 3.25Å; V316-F319 PolarHBondContact O-N 2.87Å; D317-F319 PolarHBondContact O-N 3.06Å; F319-V337 HydrophobicContact CD1-CB 3.98Å; F319-V337 HydrophobicContact CD1-CG1 4.1Å; F319-V337 WeakPolarHBondContact CD1-O 3.32Å; F319-V337 HydrophobicContact CE1-CB 4.07Å; F319-V337 HydrophobicContact CE1-CG1 3.87Å; F319-F340 HydrophobicContact CE1-CB 3.86Å; F319-F340 HydrophobicContact CE1-CD2 4.33Å; F319-F340 HydrophobicContact CZ-CB 4.21Å; F319-F340 HydrophobicContact CZ-CD2 4.28Å |
| 320 | N | 98.4 | Very high | 98.2 | Very high | 60 Ų | 60 | 33.4 Ų | 33.4 | 32% | 0.321 | 21% | 0.209 | S | C | . | . | trans | -113.3 | 122.1 | -178.7 | -175.8 | -66.1 | 0 | 0 | 0 | 109.3 | D317 V322 A323 A324 | D317-N320 PolarHBondContact O-N 2.78Å; N320-V322 PolarHBondContact O-N 2.91Å; N320-V322 PolarHBondContact OD1-N 2.98Å; N320-A323 HydrophobicContact CB-CB 4Å; N320-A323 PolarHBondContact O-N 2.85Å; N320-A323 PolarHBondContact OD1-N 2.85Å; N320-A324 WeakPolarHBondContact O-CB 3.49Å; N320-A324 PolarHBondContact O-N 2.77Å | ||
| 321 | P | 96.9 | Very high | 97.9 | Very high | 69 Ų | 69 | 39.6 Ų | 39.6 | 45% | 0.448 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -13.8 | -174.4 | 26.1 | -35.5 | 0 | 0 | 0 | 114.6 | Q334 Y336 | P321-Q334 WeakPolarHBondContact O-CG 3.18Å; P321-Y336 HydrophobicContact CB-CD1 3.72Å; P321-Y336 HydrophobicContact CB-CE1 3.59Å; P321-Y336 HydrophobicContact CB-CE2 4.45Å; P321-Y336 HydrophobicContact CB-CG 4.22Å |
| 322 | V | 97.7 | Very high | 97.3 | Very high | 122 Ų | 122 | 39.3 Ų | 39.3 | 74% | 0.739 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -106.7 | -36.7 | 179.2 | -177.2 | 0 | 0 | 0 | 0 | 111.7 | N320 | N320-V322 PolarHBondContact O-N 2.91Å; N320-V322 PolarHBondContact OD1-N 2.98Å |
| 323 | A | 98.4 | Very high | 97 | Very high | 43 Ų | 43 | 41 Ų | 41 | 36% | 0.355 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | -18.7 | -173 | 0 | 0 | 0 | 0 | 0 | 114 | D317 N320 N325 | D317-A323 HydrophobicContact CB-CB 4.21Å; N320-A323 HydrophobicContact CB-CB 4Å; N320-A323 PolarHBondContact O-N 2.85Å; N320-A323 PolarHBondContact OD1-N 2.85Å; A323-N325 PolarHBondContact O-N 3.01Å |
| 324 | A | 98.6 | Very high | 96.9 | Very high | 4 Ų | 4 | 44.9 Ų | 44.9 | 3% | 0.033 | 26% | 0.26 | C | S | . | . | trans | -57.9 | 130.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | D317 N320 Q334 L335 Y336 | D317-A324 WeakPolarHBondContact O-CA 3.39Å; D317-A324 WeakPolarHBondContact O-CB 3.49Å; D317-A324 PolarHBondContact O-N 3.02Å; N320-A324 WeakPolarHBondContact O-CB 3.49Å; N320-A324 PolarHBondContact O-N 2.77Å; A324-Q334 PolarHBondContact O-NE2 2.78Å; A324-L335 WeakPolarHBondContact CB-O 3.4Å; A324-Y336 VanDerWaalsContact CB-CB 3.48Å | ||
| 325 | N | 98.4 | Very high | 96.9 | Very high | 56 Ų | 56 | 43.4 Ų | 43.4 | 30% | 0.299 | 24% | 0.243 | S | C | . | . | trans | -115.4 | 90.1 | 169 | -171.8 | -9.9 | 0 | 0 | 0 | 108.8 | Q60 T63 A323 S327 | Q60-N325 PolarHBondContact N-O 3Å; T63-N325 PolarHBondContact OG1-N 2.84Å; A323-N325 PolarHBondContact O-N 3.01Å; N325-S327 WeakPolarHBondContact OD1-CB 3.49Å; N325-S327 PolarHBondContact OD1-N 2.97Å; N325-S327 PolarHBondContact OD1-OG 2.77Å; N325-S327 VanDerWaalsContact OD1-OG 3.09Å | ||
| 326 | L | 98.4 | Very high | 96.8 | Very high | 3 Ų | 3 | 45.7 Ų | 45.7 | 2% | 0.016 | 25% | 0.252 | C | S | . | . | trans | -107.5 | 29.5 | 172.5 | -63 | -177.9 | 0 | 0 | 0 | 111.3 | G58 A59 T63 M186 L318 G328 I329 T330 L335 V337 | G58-L326 CarbonylContact O-C 3.43Å; G58-L326 VanDerWaalsContact O-CA 3.3Å; G58-L326 WeakPolarHBondContact O-CA 3.18Å; A59-L326 HydrophobicContact CB-CD2 4.02Å; T63-L326 HydrophobicContact CG2-CD2 4.47Å; M186-L326 HydrophobicContact SD-CD1 4.16Å; L318-L326 HydrophobicContact CD1-CD1 4.24Å; L318-L326 HydrophobicContact CD1-CD2 3.77Å; L318-L326 HydrophobicContact CD1-CG 4.39Å; L326-G328 PolarHBondContact O-N 2.85Å; L326-G328 VanDerWaalsContact O-N 3.12Å; L326-I329 HydrophobicContact CB-CD1 4.27Å; L326-I329 HydrophobicContact CB-CG1 4.46Å; L326-I329 HydrophobicContact CD1-CD1 4.39Å; L326-I329 HydrophobicContact CD2-CD1 4.29Å; L326-I329 WeakPolarHBondContact O-CB 3.38Å; L326-I329 PolarHBondContact O-N 3.37Å; L326-T330 PolarHBondContact O-N 3.28Å; L326-L335 HydrophobicContact CB-CB 4.12Å; L326-L335 HydrophobicContact CB-CD2 4.29Å; L326-L335 HydrophobicContact CB-CG 4.38Å; L326-L335 HydrophobicContact CD1-CB 4.4Å; L326-L335 HydrophobicContact CD1-CD2 4.2Å; L326-L335 HydrophobicContact CD1-CG 3.96Å; L326-V337 HydrophobicContact CD1-CG2 4.22Å | ||
| 327 | S | 97.6 | Very high | 96.8 | Very high | 39 Ų | 39 | 42.7 Ų | 42.7 | 27% | 0.273 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -19.7 | -177 | 75.2 | 0 | 0 | 0 | 0 | 113.3 | N325 I329 T330 H331 | N325-S327 WeakPolarHBondContact OD1-CB 3.49Å; N325-S327 PolarHBondContact OD1-N 2.97Å; N325-S327 PolarHBondContact OD1-OG 2.77Å; N325-S327 VanDerWaalsContact OD1-OG 3.09Å; S327-I329 PolarHBondContact O-N 2.75Å; S327-T330 VanDerWaalsContact CA-O 3.32Å; S327-T330 WeakPolarHBondContact CA-O 3.36Å; S327-H331 PolarHBondContact O-CE1 2.87Å; S327-H331 PolarHBondContact O-ND1 3.02Å; S327-H331 PolarHBondContact O-NE2 3.3Å |
| 328 | G | 97.5 | Very high | 96.8 | Very high | 12 Ų | 12 | 43.1 Ų | 43.1 | 12% | 0.124 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74 | -12.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | G57 G58 E130 F133 L326 | G57-G328 WeakPolarHBondContact O-CA 3.33Å; G58-G328 PolarHBondContact O-N 2.85Å; E130-G328 WeakPolarHBondContact CB-O 3.2Å; F133-G328 VanDerWaalsContact CB-O 3.27Å; F133-G328 WeakPolarHBondContact CB-O 3.11Å; L326-G328 PolarHBondContact O-N 2.85Å; L326-G328 VanDerWaalsContact O-N 3.12Å |
| 329 | I | 98.2 | Very high | 96.8 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | -47.9 | 172.2 | -55.2 | -176.2 | 0 | 0 | 0 | 109.7 | L53 I129 E130 F133 M186 L326 S327 L335 | L53-I329 HydrophobicContact CD2-CD1 4.15Å; I129-I329 WeakPolarHBondContact CA-O 3.25Å; I129-I329 HydrophobicContact CD1-CG2 3.99Å; E130-I329 PolarHBondContact N-O 2.88Å; F133-I329 HydrophobicContact CD1-CB 4.41Å; F133-I329 HydrophobicContact CD1-CG1 4.26Å; F133-I329 HydrophobicContact CD1-CG2 4.05Å; F133-I329 HydrophobicContact CD2-CG1 4.09Å; F133-I329 HydrophobicContact CE1-CB 4.44Å; F133-I329 HydrophobicContact CE1-CD1 4.31Å; F133-I329 HydrophobicContact CE1-CG1 4.03Å; F133-I329 HydrophobicContact CE1-CG2 3.92Å; F133-I329 HydrophobicContact CE2-CD1 4.22Å; F133-I329 HydrophobicContact CE2-CG1 3.86Å; F133-I329 HydrophobicContact CG-CG1 4.28Å; F133-I329 HydrophobicContact CZ-CD1 3.88Å; F133-I329 HydrophobicContact CZ-CG1 3.82Å; M186-I329 HydrophobicContact CE-CD1 3.9Å; M186-I329 HydrophobicContact SD-CD1 3.98Å; L326-I329 HydrophobicContact CB-CD1 4.27Å; L326-I329 HydrophobicContact CB-CG1 4.46Å; L326-I329 HydrophobicContact CD1-CD1 4.39Å; L326-I329 HydrophobicContact CD2-CD1 4.29Å; L326-I329 WeakPolarHBondContact O-CB 3.38Å; L326-I329 PolarHBondContact O-N 3.37Å; S327-I329 PolarHBondContact O-N 2.75Å; I329-L335 HydrophobicContact CB-CD2 4.07Å; I329-L335 HydrophobicContact CD1-CD2 4.27Å; I329-L335 HydrophobicContact CG2-CD2 3.84Å |
| 330 | T | 97.4 | Very high | 96.8 | Very high | 3 Ų | 3 | 46.4 Ų | 46.4 | 2% | 0.018 | 25% | 0.251 | C | S | . | . | trans | -153.8 | 145.3 | 175.9 | 179.9 | 0 | 0 | 0 | 0 | 111.7 | E128 L326 S327 D332 L335 | E128-T330 WeakPolarHBondContact O-CB 3.46Å; E128-T330 PolarHBondContact O-OG1 3.49Å; L326-T330 PolarHBondContact O-N 3.28Å; S327-T330 VanDerWaalsContact CA-O 3.32Å; S327-T330 WeakPolarHBondContact CA-O 3.36Å; T330-D332 PolarHBondContact OG1-N 3.43Å; T330-D332 VanDerWaalsContact OG1-N 3.08Å; T330-D332 PolarHBondContact OG1-OD1 2.99Å; T330-L335 HydrophobicContact CG2-CB 4.06Å; T330-L335 HydrophobicContact CG2-CD2 4.04Å | ||
| 331 | H | 92.1 | Very high | 96.7 | Very high | 130 Ų | 130 | 44.2 Ų | 44.2 | 60% | 0.602 | 24% | 0.239 | S | C | * | . | S | Bend | trans | -97.4 | -12.5 | 170.1 | -65.2 | 90.7 | 0 | 0 | 0 | 113.8 | E130 S327 | E130-H331 IonicContact OE1-CE1 3.38Å; E130-H331 PolarHBondContact OE1-CE1 3.09Å; E130-H331 IonicContact OE1-CG 3.85Å; E130-H331 IonicContact OE1-ND1 2.69Å; E130-H331 PolarHBondContact OE1-ND1 2.99Å; S327-H331 PolarHBondContact O-CE1 2.87Å; S327-H331 PolarHBondContact O-ND1 3.02Å; S327-H331 PolarHBondContact O-NE2 3.3Å |
| 332 | D | 87.7 | Confident | 96.7 | Very high | 64 Ų | 64 | 41 Ų | 41 | 34% | 0.342 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -78.9 | -22.6 | -170.5 | 71.3 | -7.9 | 0 | 0 | 0 | 113.5 | Y127 E128 T330 | Y127-D332 WeakPolarHBondContact CA-OD2 3.22Å; E128-D332 PolarHBondContact N-OD2 3.36Å; T330-D332 PolarHBondContact OG1-N 3.43Å; T330-D332 VanDerWaalsContact OG1-N 3.08Å; T330-D332 PolarHBondContact OG1-OD1 2.99Å |
| 333 | H | 90.7 | Very high | 96.5 | Very high | 86 Ų | 86 | 35.1 Ų | 35.1 | 40% | 0.398 | 18% | 0.182 | S | C | . | . | S | Bend | trans | -139.3 | 150.9 | -179.2 | -63.2 | 83 | 0 | 0 | 0 | 111.6 | Y127 L335 | Y127-H333 HydrophobicContact CD1-CB 4.27Å; Y127-H333 AromaticContact CD1-CE1 3.41Å; Y127-H333 VanDerWaalsContact CD1-CE1 3.41Å; Y127-H333 WeakPolarHBondContact CD1-CE1 3.49Å; Y127-H333 AromaticContact CD1-CG 3.58Å; Y127-H333 AromaticContact CD1-ND1 3.12Å; Y127-H333 WeakPolarHBondContact CD1-ND1 3.38Å; Y127-H333 AromaticContact CD1-NE2 3.93Å; Y127-H333 HydrophobicContact CE1-CB 3.97Å; Y127-H333 AromaticContact CE1-CD2 3.45Å; Y127-H333 VanDerWaalsContact CE1-CD2 3.45Å; Y127-H333 WeakPolarHBondContact CE1-CD2 3.33Å; Y127-H333 AromaticContact CE1-CE1 3.58Å; Y127-H333 AromaticContact CE1-CG 3.32Å; Y127-H333 AromaticContact CE1-ND1 3.37Å; Y127-H333 WeakPolarHBondContact CE1-ND1 3.29Å; Y127-H333 AromaticContact CE1-NE2 3.6Å; Y127-H333 HydrophobicContact CE2-CB 4.24Å; Y127-H333 AromaticContact CG-ND1 3.82Å; Y127-H333 AromaticContact CZ-CG 3.8Å; H333-L335 VanDerWaalsContact C-N 3.29Å; H333-L335 PolarHBondContact O-N 2.69Å |
| 334 | Q | 95.1 | Very high | 96.2 | Very high | 113 Ų | 113 | 33.1 Ų | 33.1 | 53% | 0.528 | 17% | 0.165 | S | C | . | . | trans | -73.2 | 83.6 | 170.8 | 179.5 | 56 | 62.5 | 0 | 0 | 109.8 | P321 A324 | P321-Q334 WeakPolarHBondContact O-CG 3.18Å; A324-Q334 PolarHBondContact O-NE2 2.78Å | ||
| 335 | L | 97.6 | Very high | 95.8 | Very high | 4 Ų | 4 | 33 Ų | 33 | 2% | 0.021 | 16% | 0.164 | C | C | . | . | trans | -80.9 | 138.5 | -176.8 | -169.6 | 66.1 | 0 | 0 | 0 | 112.1 | V123 Y127 M186 A324 L326 I329 T330 H333 | V123-L335 HydrophobicContact CG1-CD2 4.47Å; Y127-L335 HydrophobicContact CD2-CD1 3.97Å; Y127-L335 HydrophobicContact CE2-CD1 3.65Å; M186-L335 HydrophobicContact CB-CD1 3.93Å; M186-L335 HydrophobicContact CB-CG 4.38Å; M186-L335 HydrophobicContact SD-CD2 3.89Å; M186-L335 HydrophobicContact SD-CG 4.36Å; A324-L335 WeakPolarHBondContact CB-O 3.4Å; L326-L335 HydrophobicContact CB-CB 4.12Å; L326-L335 HydrophobicContact CB-CD2 4.29Å; L326-L335 HydrophobicContact CB-CG 4.38Å; L326-L335 HydrophobicContact CD1-CB 4.4Å; L326-L335 HydrophobicContact CD1-CD2 4.2Å; L326-L335 HydrophobicContact CD1-CG 3.96Å; I329-L335 HydrophobicContact CB-CD2 4.07Å; I329-L335 HydrophobicContact CD1-CD2 4.27Å; I329-L335 HydrophobicContact CG2-CD2 3.84Å; T330-L335 HydrophobicContact CG2-CB 4.06Å; T330-L335 HydrophobicContact CG2-CD2 4.04Å; H333-L335 VanDerWaalsContact C-N 3.29Å; H333-L335 PolarHBondContact O-N 2.69Å | ||
| 336 | Y | 98.1 | Very high | 95.5 | Very high | 48 Ų | 48 | 30.4 Ų | 30.4 | 19% | 0.188 | 15% | 0.15 | C | C | . | . | trans | -142.6 | 165.5 | 169.8 | 67.5 | -80.6 | 0 | 0 | 0 | 109.2 | M186 P321 A324 D338 | M186-Y336 WeakPolarHBondContact CB-O 3.36Å; P321-Y336 HydrophobicContact CB-CD1 3.72Å; P321-Y336 HydrophobicContact CB-CE1 3.59Å; P321-Y336 HydrophobicContact CB-CE2 4.45Å; P321-Y336 HydrophobicContact CB-CG 4.22Å; A324-Y336 VanDerWaalsContact CB-CB 3.48Å; Y336-D338 HydrophobicContact CE2-CB 4.46Å; Y336-D338 WeakPolarHBondContact CE2-OD1 3.31Å; Y336-D338 PolarHBondContact OH-OD1 3.23Å | ||
| 337 | V | 98.5 | Very high | 95.2 | Very high | 2 Ų | 2 | 32.6 Ų | 32.6 | 1% | 0.012 | 16% | 0.159 | C | C | . | . | trans | -88.1 | 116.1 | 176.7 | 177 | 0 | 0 | 0 | 0 | 109.2 | M186 L188 L318 F319 L326 K339 F340 | M186-V337 HydrophobicContact CG-CG2 4.4Å; M186-V337 HydrophobicContact SD-CG2 4.17Å; L188-V337 HydrophobicContact CD1-CG1 4.06Å; L188-V337 HydrophobicContact CD1-CG2 3.76Å; L188-V337 HydrophobicContact CG-CG1 4.16Å; L188-V337 HydrophobicContact CG-CG2 4.25Å; L318-V337 HydrophobicContact CD1-CB 4.41Å; L318-V337 HydrophobicContact CD1-CG2 3.64Å; L318-V337 HydrophobicContact CD2-CG2 4.38Å; L318-V337 HydrophobicContact CG-CB 4.16Å; L318-V337 HydrophobicContact CG-CG2 3.87Å; L318-V337 PolarHBondContact O-N 2.87Å; F319-V337 HydrophobicContact CD1-CB 3.98Å; F319-V337 HydrophobicContact CD1-CG1 4.1Å; F319-V337 WeakPolarHBondContact CD1-O 3.32Å; F319-V337 HydrophobicContact CE1-CB 4.07Å; F319-V337 HydrophobicContact CE1-CG1 3.87Å; L326-V337 HydrophobicContact CD1-CG2 4.22Å; V337-K339 WeakPolarHBondContact CG1-O 3.39Å; V337-F340 HydrophobicContact CG1-CB 4.4Å | ||
| 338 | D | 98.2 | Very high | 95 | Very high | 35 Ų | 35 | 30.8 Ų | 30.8 | 19% | 0.187 | 15% | 0.147 | C | C | . | . | S | Bend | trans | -74.4 | -42.8 | 176.5 | -65 | -84.5 | 0 | 0 | 0 | 111.7 | T184 G185 M186 Y336 | T184-D338 HydrophobicContact CG2-CB 4.06Å; G185-D338 PolarHBondContact N-OD2 3.03Å; M186-D338 PolarHBondContact N-OD2 3.45Å; M186-D338 PolarHBondContact O-N 2.98Å; Y336-D338 HydrophobicContact CE2-CB 4.46Å; Y336-D338 WeakPolarHBondContact CE2-OD1 3.31Å; Y336-D338 PolarHBondContact OH-OD1 3.23Å |
| 339 | K | 98 | Very high | 94.8 | Very high | 82 Ų | 82 | 30.8 Ų | 30.8 | 36% | 0.357 | 14% | 0.144 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 136.2 | -178.7 | -67.4 | -65.7 | -171.3 | -178 | 0 | 111.2 | I187 L188 D305 V337 M341 | I187-K339 HydrophobicContact CB-CB 4.45Å; I187-K339 HydrophobicContact CD1-CB 4.39Å; I187-K339 HydrophobicContact CD1-CG 4.46Å; I187-K339 HydrophobicContact CG1-CB 4.06Å; I187-K339 HydrophobicContact CG2-CB 3.98Å; L188-K339 PolarHBondContact N-O 2.72Å; D305-K339 VanDerWaalsContact OD2-CD 3.3Å; D305-K339 WeakPolarHBondContact OD2-CD 3.49Å; D305-K339 IonicContact OD2-NZ 3.92Å; D305-K339 PolarHBondContact OD2-NZ 2.76Å; V337-K339 WeakPolarHBondContact CG1-O 3.39Å; K339-M341 HydrophobicContact CB-CG 4.12Å; K339-M341 HydrophobicContact CB-SD 4.12Å; K339-M341 HydrophobicContact CD-SD 4.22Å |
| 340 | F | 98.5 | Very high | 94.6 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 104.2 | 169.4 | -166 | -57.6 | 0 | 0 | 0 | 107.9 | I46 T49 L50 L188 L306 V307 L310 F319 V337 | I46-F340 HydrophobicContact CD1-CE1 4.09Å; I46-F340 HydrophobicContact CG2-CE1 3.93Å; I46-F340 HydrophobicContact CG2-CZ 3.96Å; T49-F340 HydrophobicContact CG2-CD2 4.47Å; T49-F340 HydrophobicContact CG2-CE1 4.01Å; T49-F340 HydrophobicContact CG2-CE2 3.57Å; T49-F340 HydrophobicContact CG2-CZ 3.31Å; L50-F340 HydrophobicContact CD2-CE2 3.75Å; L50-F340 HydrophobicContact CD2-CZ 4.32Å; L50-F340 HydrophobicContact CG-CE2 4.02Å; L50-F340 HydrophobicContact CG-CZ 4.09Å; L188-F340 HydrophobicContact CB-CD2 4.14Å; L188-F340 HydrophobicContact CB-CG 4.33Å; L188-F340 HydrophobicContact CD1-CD2 3.75Å; L188-F340 HydrophobicContact CD1-CE2 3.9Å; L306-F340 HydrophobicContact CB-CD1 4.11Å; L306-F340 WeakPolarHBondContact CB-O 3.36Å; L306-F340 HydrophobicContact CD1-CD1 4.13Å; L306-F340 HydrophobicContact CD1-CE1 4.25Å; L306-F340 PolarHBondContact N-O 2.65Å; V307-F340 HydrophobicContact CG2-CB 4.32Å; L310-F340 HydrophobicContact CD1-CB 4.25Å; L310-F340 HydrophobicContact CD1-CD1 3.89Å; L310-F340 HydrophobicContact CD1-CD2 3.62Å; L310-F340 HydrophobicContact CD1-CE1 4.08Å; L310-F340 HydrophobicContact CD1-CE2 3.8Å; L310-F340 HydrophobicContact CD1-CG 3.65Å; L310-F340 HydrophobicContact CD1-CZ 4Å; F319-F340 HydrophobicContact CE1-CB 3.86Å; F319-F340 HydrophobicContact CE1-CD2 4.33Å; F319-F340 HydrophobicContact CZ-CB 4.21Å; F319-F340 HydrophobicContact CZ-CD2 4.28Å; V337-F340 HydrophobicContact CG1-CB 4.4Å |
| 341 | M | 97.5 | Very high | 94.4 | Very high | 14 Ų | 14 | 32.3 Ų | 32.3 | 7% | 0.069 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 142.8 | -171.1 | -52.4 | -60.5 | -65.3 | 0 | 0 | 110.8 | F175 F176 L188 V189 N190 T303 L304 D305 K339 | F175-M341 HydrophobicContact CE1-CG 4.42Å; F175-M341 HydrophobicContact CE2-CB 4.21Å; F175-M341 HydrophobicContact CZ-CB 3.52Å; F175-M341 HydrophobicContact CZ-CE 4.39Å; F175-M341 HydrophobicContact CZ-CG 3.82Å; F176-M341 HydrophobicContact CZ-CG 4.38Å; L188-M341 PolarHBondContact O-N 2.97Å; V189-M341 CarbonylContact C-O 3.44Å; V189-M341 WeakPolarHBondContact CA-O 3.38Å; V189-M341 HydrophobicContact CG1-CB 4.44Å; V189-M341 HydrophobicContact CG2-CB 4.35Å; N190-M341 PolarHBondContact N-O 2.71Å; T303-M341 HydrophobicContact CG2-CE 3.46Å; T303-M341 VanDerWaalsContact CG2-CE 3.46Å; L304-M341 CarbonylContact O-C 3.57Å; L304-M341 VanDerWaalsContact O-CA 3.26Å; L304-M341 WeakPolarHBondContact O-CA 3.28Å; D305-M341 HydrophobicContact CB-CE 3.95Å; D305-M341 HydrophobicContact CB-SD 3.72Å; K339-M341 HydrophobicContact CB-CG 4.12Å; K339-M341 HydrophobicContact CB-SD 4.12Å; K339-M341 HydrophobicContact CD-SD 4.22Å |
| 342 | Q | 96.5 | Very high | 94.5 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 134.7 | 162.1 | 179.9 | -179.4 | 65.9 | 0 | 0 | 109.9 | T41 C42 I46 N190 T303 L304 L306 N344 | T41-Q342 PolarHBondContact OG1-OE1 2.83Å; C42-Q342 PolarHBondContact O-NE2 2.91Å; I46-Q342 HydrophobicContact CD1-CB 3.62Å; I46-Q342 VanDerWaalsContact CD1-CD 3.45Å; I46-Q342 HydrophobicContact CD1-CG 3.96Å; N190-Q342 HydrophobicContact CB-CB 4.38Å; N190-Q342 HydrophobicContact CB-CG 4.3Å; N190-Q342 CarbonylContact O-C 3.59Å; N190-Q342 VanDerWaalsContact O-CA 3.32Å; N190-Q342 WeakPolarHBondContact O-CA 3.14Å; N190-Q342 PolarHBondContact OD1-NE2 3.16Å; T303-Q342 CarbonylContact C-O 3.55Å; T303-Q342 WeakPolarHBondContact CA-O 3.29Å; L304-Q342 PolarHBondContact N-O 2.85Å; L304-Q342 PolarHBondContact O-N 3.36Å; L306-Q342 HydrophobicContact CD1-CB 3.76Å; Q342-N344 WeakPolarHBondContact CG-OD1 3.26Å; Q342-N344 PolarHBondContact OE1-ND2 2.85Å; Q342-N344 PolarHBondContact OE1-OD1 3.29Å |
| 343 | T | 93.7 | Very high | 94.7 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 140.1 | 168.3 | -167.9 | 0 | 0 | 0 | 0 | 110.9 | V164 L172 F175 N190 V191 F192 N302 T303 | V164-T343 HydrophobicContact CG1-CG2 3.88Å; L172-T343 HydrophobicContact CD1-CG2 3.52Å; L172-T343 WeakPolarHBondContact CD1-OG1 3.28Å; F175-T343 HydrophobicContact CD2-CG2 4.35Å; F175-T343 HydrophobicContact CE2-CG2 4.25Å; N190-T343 PolarHBondContact O-N 2.65Å; V191-T343 HydrophobicContact CB-CG2 4.27Å; V191-T343 HydrophobicContact CG1-CG2 4.12Å; V191-T343 HydrophobicContact CG2-CG2 3.82Å; F192-T343 PolarHBondContact N-O 3.31Å; F192-T343 VanDerWaalsContact N-O 3.09Å; N302-T343 VanDerWaalsContact O-CA 3.26Å; N302-T343 WeakPolarHBondContact O-CA 3.39Å; N302-T343 PolarHBondContact O-OG1 2.92Å; T303-T343 PolarHBondContact OG1-OG1 3.33Å |
| 344 | N | 92.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 147.7 | -173.8 | -47.5 | -85.6 | 0 | 0 | 0 | 109.4 | L40 C42 K301 N302 Q342 | L40-N344 HydrophobicContact CB-CB 4.48Å; L40-N344 HydrophobicContact CD2-CB 3.5Å; L40-N344 HydrophobicContact CG-CB 3.58Å; L40-N344 PolarHBondContact O-ND2 3.33Å; L40-N344 VanDerWaalsContact O-ND2 3.13Å; C42-N344 PolarHBondContact N-OD1 3.21Å; K301-N344 WeakPolarHBondContact CA-O 3.39Å; N302-N344 PolarHBondContact N-O 3.42Å; N302-N344 PolarHBondContact O-N 2.87Å; N302-N344 VanDerWaalsContact O-N 3.09Å; N302-N344 PolarHBondContact OD1-ND2 3.28Å; Q342-N344 WeakPolarHBondContact CG-OD1 3.26Å; Q342-N344 PolarHBondContact OE1-ND2 2.85Å; Q342-N344 PolarHBondContact OE1-OD1 3.29Å |
| 345 | I | 89.5 | Confident | 93 | Very high | 2 Ų | 2 | 14.1 Ų | 14.1 | 1% | 0.01 | 7% | 0.066 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 137.8 | 173.5 | -54.4 | 152 | 0 | 0 | 0 | 109 | L171 L172 Y193 L300 K301 E354 | L171-I345 HydrophobicContact CB-CD1 3.47Å; L171-I345 VanDerWaalsContact CB-CD1 3.47Å; L171-I345 HydrophobicContact CB-CG1 4.46Å; L171-I345 HydrophobicContact CD1-CD1 3.88Å; L171-I345 HydrophobicContact CD1-CG2 4.24Å; L171-I345 HydrophobicContact CG-CD1 4.33Å; L172-I345 HydrophobicContact CD1-CD1 3.67Å; L172-I345 HydrophobicContact CD1-CG1 3.82Å; L172-I345 HydrophobicContact CD2-CG1 4.33Å; L172-I345 HydrophobicContact CG-CD1 3.84Å; L172-I345 HydrophobicContact CG-CG1 4.04Å; Y193-I345 HydrophobicContact CD2-CD1 4.44Å; L300-I345 CarbonylContact O-C 3.6Å; L300-I345 WeakPolarHBondContact O-CA 3.33Å; K301-I345 HydrophobicContact CG-CG1 4.17Å; K301-I345 HydrophobicContact CG-CG2 4.07Å; I345-E354 WeakPolarHBondContact CG2-OE1 3.17Å |
| 346 | L | 91.7 | Very high | 91.2 | Very high | 1 Ų | 1 | 16.6 Ų | 16.6 | 1% | 0.005 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 102.9 | 171.9 | 179.7 | 69.3 | 0 | 0 | 0 | 108.7 | L40 F255 F298 T299 L300 L348 I353 I385 A397 | L40-L346 HydrophobicContact CD1-CB 4.17Å; L40-L346 HydrophobicContact CD1-CD2 4.27Å; L40-L346 HydrophobicContact CD2-CB 3.76Å; F255-L346 HydrophobicContact CE2-CD2 4.38Å; F298-L346 HydrophobicContact CE2-CD2 4.23Å; F298-L346 HydrophobicContact CE2-CG 4.48Å; F298-L346 HydrophobicContact CZ-CD2 4.42Å; T299-L346 CarbonylContact C-O 3.49Å; T299-L346 WeakPolarHBondContact CA-O 3.37Å; L300-L346 HydrophobicContact CB-CB 4.39Å; L300-L346 PolarHBondContact N-O 3.4Å; L300-L346 PolarHBondContact O-N 3.48Å; L346-L348 HydrophobicContact CD1-CD1 3.71Å; L346-L348 HydrophobicContact CD2-CD1 4.08Å; L346-L348 HydrophobicContact CG-CD1 3.54Å; L346-I353 HydrophobicContact CD1-CD1 4.29Å; L346-I353 HydrophobicContact CD1-CG2 3.71Å; L346-I385 HydrophobicContact CD1-CD1 3.95Å; L346-A397 HydrophobicContact CD2-CB 4.39Å |
| 347 | K | 92.1 | Very high | 89.1 | Confident | 49 Ų | 49 | 19.2 Ų | 19.2 | 21% | 0.213 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 117.6 | 176.9 | 178 | 177.1 | -175.3 | -173.3 | 0 | 110.3 | F298 T299 I353 E354 | F298-K347 CarbonylContact O-C 3.52Å; F298-K347 WeakPolarHBondContact O-CA 3.33Å; T299-K347 HydrophobicContact CG2-CB 4.29Å; T299-K347 WeakPolarHBondContact OG1-CG 3.4Å; K347-I353 CarbonylContact O-C 3.45Å; K347-I353 VanDerWaalsContact O-CA 3.23Å; K347-I353 WeakPolarHBondContact O-CA 3.31Å; K347-E354 HydrophobicContact CB-CG 3.89Å; K347-E354 WeakPolarHBondContact CB-OE1 3.38Å; K347-E354 WeakPolarHBondContact CD-OE2 3.38Å; K347-E354 PolarHBondContact O-N 3.36Å |
| 348 | L | 94 | Very high | 86.7 | Confident | 1 Ų | 1 | 20.9 Ų | 20.9 | 1% | 0.005 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 137 | 175.7 | -83.4 | 72.1 | 0 | 0 | 0 | 109.9 | W198 F255 L295 K297 F298 L346 I353 | W198-L348 HydrophobicContact CH2-CD2 3.97Å; W198-L348 HydrophobicContact CH2-CG 4.24Å; W198-L348 HydrophobicContact CZ2-CD2 3.94Å; W198-L348 HydrophobicContact CZ2-CG 4Å; F255-L348 HydrophobicContact CD1-CD2 4.23Å; F255-L348 HydrophobicContact CE1-CD2 3.53Å; F255-L348 HydrophobicContact CE2-CD1 4.2Å; F255-L348 HydrophobicContact CE2-CD2 3.94Å; F255-L348 HydrophobicContact CZ-CD1 4.29Å; F255-L348 HydrophobicContact CZ-CD2 3.37Å; F255-L348 HydrophobicContact CZ-CG 4.42Å; L295-L348 HydrophobicContact CD2-CD2 3.91Å; K297-L348 WeakPolarHBondContact CG-O 3.24Å; F298-L348 HydrophobicContact CD1-CB 4.47Å; F298-L348 HydrophobicContact CE1-CB 4.26Å; F298-L348 HydrophobicContact CE1-CD1 4.27Å; F298-L348 HydrophobicContact CE1-CD2 3.83Å; F298-L348 HydrophobicContact CE1-CG 4.34Å; F298-L348 HydrophobicContact CE2-CD1 4.06Å; F298-L348 HydrophobicContact CZ-CD1 3.73Å; F298-L348 HydrophobicContact CZ-CD2 3.99Å; F298-L348 HydrophobicContact CZ-CG 4.29Å; F298-L348 PolarHBondContact N-O 3.08Å; F298-L348 PolarHBondContact O-N 2.81Å; L346-L348 HydrophobicContact CD1-CD1 3.71Å; L346-L348 HydrophobicContact CD2-CD1 4.08Å; L346-L348 HydrophobicContact CG-CD1 3.54Å; L348-I353 HydrophobicContact CD1-CG1 4.25Å; L348-I353 HydrophobicContact CG-CG1 4.21Å |
| 349 | N | 93.3 | Very high | 84.1 | Confident | 13 Ų | 13 | 25.7 Ų | 25.7 | 7% | 0.07 | 14% | 0.143 | C | C | . | . | trans | -145.9 | -174.9 | 170.9 | 65.9 | 42.9 | 0 | 0 | 0 | 110.6 | W198 M225 K297 S351 G352 A355 | W198-N349 PolarHBondContact NE1-O 3.47Å; M225-N349 VanDerWaalsContact SD-O 3.41Å; K297-N349 HydrophobicContact CD-CB 4.42Å; K297-N349 HydrophobicContact CG-CB 4.4Å; N349-S351 PolarHBondContact O-N 3.01Å; N349-S351 WeakPolarHBondContact OD1-CA 3.47Å; N349-S351 VanDerWaalsContact OD1-CB 3.28Å; N349-S351 WeakPolarHBondContact OD1-CB 3.4Å; N349-S351 PolarHBondContact OD1-N 3.38Å; N349-G352 PolarHBondContact N-O 2.81Å; N349-G352 PolarHBondContact O-N 2.69Å; N349-G352 PolarHBondContact OD1-N 2.95Å; N349-G352 PolarHBondContact OD1-O 2.95Å; N349-A355 PolarHBondContact ND2-O 2.72Å; N349-A355 PolarHBondContact OD1-O 2.77Å | ||
| 350 | E | 94 | Very high | 81.3 | Confident | 18 Ų | 18 | 23.3 Ų | 23.3 | 8% | 0.084 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -63.1 | -30.9 | -175.3 | -66.8 | 86.8 | 167.8 | 0 | 0 | 113.1 | W198 P201 F202 P204 T207 M225 K297 | W198-E350 VanDerWaalsContact CD1-O 3.28Å; P201-E350 WeakPolarHBondContact CB-O 3.49Å; F202-E350 HydrophobicContact CB-CB 4.02Å; F202-E350 HydrophobicContact CB-CG 4.15Å; F202-E350 PolarHBondContact N-O 2.58Å; P204-E350 HydrophobicContact CB-CG 4.4Å; P204-E350 HydrophobicContact CG-CB 4.08Å; P204-E350 HydrophobicContact CG-CG 4.18Å; T207-E350 WeakPolarHBondContact CB-OE1 3.47Å; T207-E350 WeakPolarHBondContact CG2-OE1 3.22Å; T207-E350 WeakPolarHBondContact OG1-CG 3.37Å; T207-E350 PolarHBondContact OG1-OE1 2.78Å; M225-E350 HydrophobicContact CG-CG 4Å; M225-E350 HydrophobicContact SD-CB 4.38Å; M225-E350 HydrophobicContact SD-CG 3.91Å; M225-E350 PolarHBondContact SD-N 3.46Å; K297-E350 IonicContact NZ-OE1 2.61Å; K297-E350 IonicContact NZ-OE2 3.11Å; K297-E350 PolarHBondContact NZ-OE2 2.91Å |
| 351 | S | 93.1 | Very high | 78.8 | Confident | 17 Ų | 17 | 27 Ų | 27 | 12% | 0.119 | 16% | 0.161 | C | C | . | . | S | Bend | trans | -80.8 | -36.3 | 179.8 | -64.8 | 0 | 0 | 0 | 0 | 113.2 | F197 W198 N349 V358 | F197-S351 WeakPolarHBondContact CA-O 3.44Å; W198-S351 VanDerWaalsContact CD1-C 3.41Å; W198-S351 PolarHBondContact N-O 2.86Å; N349-S351 PolarHBondContact O-N 3.01Å; N349-S351 WeakPolarHBondContact OD1-CA 3.47Å; N349-S351 VanDerWaalsContact OD1-CB 3.28Å; N349-S351 WeakPolarHBondContact OD1-CB 3.4Å; N349-S351 PolarHBondContact OD1-N 3.38Å; S351-V358 VanDerWaalsContact OG-CG2 3.31Å; S351-V358 WeakPolarHBondContact OG-CG2 3.43Å; S351-V358 PolarHBondContact OG-N 3.09Å |
| 352 | G | 93.4 | Very high | 76.1 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 166.6 | -154.1 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | D196 W198 N349 | D196-G352 CarbonylContact O-C 3.58Å; D196-G352 WeakPolarHBondContact O-CA 3.4Å; W198-G352 VanDerWaalsContact CD1-CA 3.45Å; W198-G352 VanDerWaalsContact CD1-N 3.31Å; W198-G352 VanDerWaalsContact NE1-CA 3.32Å; N349-G352 PolarHBondContact N-O 2.81Å; N349-G352 PolarHBondContact O-N 2.69Å; N349-G352 PolarHBondContact OD1-N 2.95Å; N349-G352 PolarHBondContact OD1-O 2.95Å |
| 353 | I | 92.4 | Very high | 73.7 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 114.9 | 171.3 | -58.2 | 178.2 | 0 | 0 | 0 | 107.9 | F194 R195 D196 W198 L248 F255 L346 K347 L348 A355 I385 | F194-I353 HydrophobicContact CD1-CB 4.09Å; F194-I353 HydrophobicContact CD1-CD1 4.24Å; F194-I353 HydrophobicContact CD1-CG2 3.87Å; F194-I353 HydrophobicContact CE1-CB 4.37Å; F194-I353 HydrophobicContact CE1-CD1 4.16Å; R195-I353 WeakPolarHBondContact CA-O 3.5Å; D196-I353 PolarHBondContact N-O 2.65Å; D196-I353 PolarHBondContact O-N 2.94Å; W198-I353 HydrophobicContact CH2-CD1 4.06Å; W198-I353 HydrophobicContact CH2-CG1 3.75Å; W198-I353 HydrophobicContact CZ2-CG1 4.12Å; W198-I353 HydrophobicContact CZ3-CD1 4.36Å; W198-I353 HydrophobicContact CZ3-CG1 4.29Å; L248-I353 HydrophobicContact CD1-CD1 4.23Å; L248-I353 HydrophobicContact CD2-CD1 4Å; L248-I353 HydrophobicContact CD2-CG1 4.16Å; F255-I353 HydrophobicContact CD2-CD1 3.86Å; F255-I353 HydrophobicContact CE2-CD1 4.5Å; F255-I353 HydrophobicContact CG-CD1 4.47Å; L346-I353 HydrophobicContact CD1-CD1 4.29Å; L346-I353 HydrophobicContact CD1-CG2 3.71Å; K347-I353 CarbonylContact O-C 3.45Å; K347-I353 VanDerWaalsContact O-CA 3.23Å; K347-I353 WeakPolarHBondContact O-CA 3.31Å; L348-I353 HydrophobicContact CD1-CG1 4.25Å; L348-I353 HydrophobicContact CG-CG1 4.21Å; I353-A355 PolarHBondContact O-N 3.37Å; I353-I385 HydrophobicContact CD1-CD1 3.87Å; I353-I385 HydrophobicContact CD1-CG1 4.09Å |
| 354 | E | 84.4 | Confident | 71.4 | Confident | 10 Ų | 10 | 45 Ų | 45 | 5% | 0.047 | 26% | 0.255 | C | S | . | . | S | Bend | trans | 54.2 | 7.9 | -172.8 | -70.6 | -71.2 | 174.1 | 0 | 0 | 114.6 | L171 Y193 R195 I345 K347 | L171-E354 WeakPolarHBondContact CD1-OE1 3.23Å; Y193-E354 HydrophobicContact CE2-CB 4.46Å; Y193-E354 HydrophobicContact CE2-CG 4.04Å; R195-E354 HydrophobicContact CB-CB 4.24Å; R195-E354 HydrophobicContact CG-CB 3.79Å; R195-E354 PolarHBondContact NE-O 3.33Å; R195-E354 PolarHBondContact NH2-O 3.22Å; I345-E354 WeakPolarHBondContact CG2-OE1 3.17Å; K347-E354 HydrophobicContact CB-CG 3.89Å; K347-E354 WeakPolarHBondContact CB-OE1 3.38Å; K347-E354 WeakPolarHBondContact CD-OE2 3.38Å; K347-E354 PolarHBondContact O-N 3.36Å |
| 355 | A | 65.2 | Low | 69.3 | Low | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 29% | 0.29 | C | S | . | . | trans | -75.1 | 129.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | F197 N349 I353 | F197-A355 HydrophobicContact CD1-CB 3.58Å; F197-A355 HydrophobicContact CD2-CB 4.48Å; F197-A355 HydrophobicContact CE1-CB 3.62Å; F197-A355 HydrophobicContact CE2-CB 4.48Å; F197-A355 HydrophobicContact CG-CB 4.05Å; F197-A355 HydrophobicContact CZ-CB 4.09Å; N349-A355 PolarHBondContact ND2-O 2.72Å; N349-A355 PolarHBondContact OD1-O 2.77Å; I353-A355 PolarHBondContact O-N 3.37Å | ||
| 356 | T | 60.5 | Low | 67.5 | Low | 56 Ų | 56 | 55.3 Ų | 55.3 | 34% | 0.344 | 32% | 0.316 | S | S | . | . | trans | -109 | 133.5 | 174.5 | 39 | 0 | 0 | 0 | 0 | 108.8 | R195 | R195-T356 PolarHBondContact NH2-OG1 2.83Š| ||
| 357 | T | 53.7 | Low | 65.7 | Low | 104 Ų | 104 | 59.7 Ų | 59.7 | 64% | 0.638 | 35% | 0.347 | S | S | * | . | trans | 66 | 109.3 | 174.4 | -45.9 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 358 | V | 48.3 | Very low | 64.1 | Low | 37 Ų | 37 | 62.4 Ų | 62.4 | 22% | 0.224 | 38% | 0.378 | C | S | . | . | trans | -111.9 | 129.1 | 161.7 | 166.8 | 0 | 0 | 0 | 0 | 107.3 | F197 P201 S351 S360 | F197-V358 HydrophobicContact CD1-CG2 3.39Å; F197-V358 HydrophobicContact CE1-CG2 3.53Å; P201-V358 HydrophobicContact CB-CG1 4.4Å; P201-V358 HydrophobicContact CG-CG1 4.17Å; P201-V358 HydrophobicContact CG-CG2 4.43Å; S351-V358 VanDerWaalsContact OG-CG2 3.31Å; S351-V358 WeakPolarHBondContact OG-CG2 3.43Å; S351-V358 PolarHBondContact OG-N 3.09Å; V358-S360 VanDerWaalsContact C-N 3.3Å; V358-S360 PolarHBondContact O-N 3.38Å | ||
| 359 | T | 43.9 | Very low | 62.6 | Low | 135 Ų | 135 | 65.9 Ų | 65.9 | 83% | 0.828 | 40% | 0.399 | S | S | * | . | trans | -79.1 | 93.2 | 156.3 | -43.9 | 0 | 0 | 0 | 0 | 104.5 | P361 | T359-P361 WeakPolarHBondContact O-CD 3.5Š| ||
| 360 | S | 40.1 | Very low | 61.7 | Low | 33 Ų | 33 | 72.4 Ų | 72.4 | 23% | 0.231 | 43% | 0.433 | C | S | . | . | trans | -61.7 | 125.8 | -175.1 | -66.4 | 0 | 0 | 0 | 0 | 108.6 | E203 V358 I362 | E203-S360 WeakPolarHBondContact OE1-CB 3.22Å; E203-S360 PolarHBondContact OE2-OG 3.06Å; V358-S360 VanDerWaalsContact C-N 3.3Å; V358-S360 PolarHBondContact O-N 3.38Å; S360-I362 PolarHBondContact O-N 2.86Å | ||
| 361 | P | 45.1 | Very low | 61.2 | Low | 77 Ų | 77 | 73.3 Ų | 73.3 | 50% | 0.5 | 44% | 0.441 | S | S | . | . | trans | -59.1 | 134.3 | 159.8 | 24.4 | -28.5 | 0 | 0 | 0 | 107.3 | T359 F363 | T359-P361 WeakPolarHBondContact O-CD 3.5Å; P361-F363 HydrophobicContact CG-CD2 4.47Å; P361-F363 HydrophobicContact CG-CE2 3.77Å; P361-F363 HydrophobicContact CG-CZ 4.04Å; P361-F363 VanDerWaalsContact O-CD2 3.23Å; P361-F363 WeakPolarHBondContact O-CD2 3.27Å; P361-F363 PolarHBondContact O-N 2.85Å | ||
| 362 | I | 41.5 | Very low | 61 | Low | 165 Ų | 165 | 77.7 Ų | 77.7 | 85% | 0.846 | 46% | 0.463 | S | S | * | . | trans | -62.8 | 106.3 | 175.3 | -62.3 | 170.9 | 0 | 0 | 0 | 107.2 | S360 | S360-I362 PolarHBondContact O-N 2.86Š| ||
| 363 | F | 45.8 | Very low | 61.1 | Low | 101 Ų | 101 | 79.7 Ų | 79.7 | 44% | 0.443 | 47% | 0.473 | S | S | . | . | P | Polyproline II helix | trans | -78.2 | 129 | 171.2 | -74 | -84.4 | 0 | 0 | 0 | 109.6 | P361 | P361-F363 HydrophobicContact CG-CD2 4.47Å; P361-F363 HydrophobicContact CG-CE2 3.77Å; P361-F363 HydrophobicContact CG-CZ 4.04Å; P361-F363 VanDerWaalsContact O-CD2 3.23Å; P361-F363 WeakPolarHBondContact O-CD2 3.27Å; P361-F363 PolarHBondContact O-N 2.85Å |
| 364 | V | 45.4 | Very low | 61.3 | Low | 125 Ų | 125 | 84 Ų | 84 | 76% | 0.758 | 50% | 0.496 | S | S | * | . | P | Polyproline II helix | trans | -79.1 | 127.9 | 166.6 | -178.1 | 0 | 0 | 0 | 0 | 106.7 | I366 | V364-I366 PolarHBondContact O-N 2.96Š|
| 365 | P | 48 | Very low | 62 | Low | 111 Ų | 111 | 83.5 Ų | 83.5 | 72% | 0.721 | 49% | 0.494 | S | S | * | . | P | Polyproline II helix | trans | -52.9 | 135 | 177.3 | 18.9 | -29.9 | 0 | 0 | 0 | 110 | S367 | P365-S367 PolarHBondContact O-N 2.86Š|
| 366 | I | 51.6 | Low | 63.6 | Low | 108 Ų | 108 | 84.9 Ų | 84.9 | 55% | 0.554 | 50% | 0.501 | S | S | * | . | P | Polyproline II helix | trans | -57.5 | 124.3 | 168.8 | -58.4 | 174 | 0 | 0 | 0 | 105.7 | V364 A368 | V364-I366 PolarHBondContact O-N 2.96Å; I366-A368 PolarHBondContact O-N 3.27Å |
| 367 | S | 54.7 | Low | 65.4 | Low | 94 Ų | 94 | 82.2 Ų | 82.2 | 66% | 0.657 | 49% | 0.485 | S | S | * | . | S | Bend | trans | -43.1 | 121.6 | -175.8 | 55.5 | 0 | 0 | 0 | 0 | 111.6 | P365 V369 | P365-S367 PolarHBondContact O-N 2.86Å; S367-V369 WeakPolarHBondContact O-CG2 3.31Å; S367-V369 PolarHBondContact O-N 3.34Å |
| 368 | A | 57.9 | Low | 67.5 | Low | 106 Ų | 106 | 78.6 Ų | 78.6 | 88% | 0.876 | 46% | 0.461 | S | S | * | . | S | Bend | trans | 27.7 | 18.1 | 159.7 | 0 | 0 | 0 | 0 | 0 | 120.9 | I366 L370 | I366-A368 PolarHBondContact O-N 3.27Å; A368-L370 PolarHBondContact O-N 3.46Å |
| 369 | V | 62 | Low | 69.8 | Low | 73 Ų | 73 | 77.2 Ų | 77.2 | 44% | 0.442 | 45% | 0.453 | S | S | . | . | trans | -81 | 105.6 | 177 | 179.7 | 0 | 0 | 0 | 0 | 104.2 | T290 S367 | T290-V369 HydrophobicContact CG2-CG1 4.46Å; S367-V369 WeakPolarHBondContact O-CG2 3.31Å; S367-V369 PolarHBondContact O-N 3.34Å | ||
| 370 | L | 75.5 | Confident | 72.4 | Confident | 151 Ų | 151 | 71.1 Ų | 71.1 | 79% | 0.791 | 42% | 0.415 | S | S | * | . | trans | -56.5 | 129.3 | 170.5 | -69.3 | 169.8 | 0 | 0 | 0 | 107.5 | A368 D372 | A368-L370 PolarHBondContact O-N 3.46Å; L370-D372 PolarHBondContact O-N 2.9Å | ||
| 371 | P | 82.7 | Confident | 75.1 | Confident | 37 Ų | 37 | 69.5 Ų | 69.5 | 24% | 0.24 | 40% | 0.404 | C | S | . | . | trans | -59 | 138.8 | -179.9 | 23.9 | -33.2 | 0 | 0 | 0 | 109.9 | E228 T290 I373 | E228-P371 HydrophobicContact CG-CG 4.39Å; T290-P371 HydrophobicContact CG2-CB 4.3Å; P371-I373 VanDerWaalsContact C-N 3.25Å; P371-I373 PolarHBondContact O-N 2.93Å | ||
| 372 | D | 88.4 | Confident | 77.7 | Confident | 109 Ų | 109 | 65.9 Ų | 65.9 | 58% | 0.583 | 38% | 0.38 | S | S | * | . | S | Bend | trans | -69.1 | -30.7 | 179.4 | -59.2 | -57 | 0 | 0 | 0 | 111 | T289 T290 L370 | T289-D372 HydrophobicContact CG2-CB 3.86Å; T290-D372 PolarHBondContact N-OD2 2.83Å; T290-D372 PolarHBondContact O-N 2.78Å; L370-D372 PolarHBondContact O-N 2.9Å |
| 373 | I | 96.7 | Very high | 80.4 | Confident | 41 Ų | 41 | 58 Ų | 58 | 21% | 0.21 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 130.8 | -172.5 | -58.9 | -64.7 | 0 | 0 | 0 | 110.3 | Y233 T289 T290 V291 S292 P371 F375 | Y233-I373 HydrophobicContact CD1-CD1 4.41Å; Y233-I373 HydrophobicContact CD1-CG1 3.95Å; Y233-I373 HydrophobicContact CD2-CG2 4.25Å; Y233-I373 HydrophobicContact CE1-CD1 3.72Å; Y233-I373 HydrophobicContact CE1-CG1 3.73Å; Y233-I373 HydrophobicContact CE1-CG2 4.35Å; Y233-I373 HydrophobicContact CE2-CG2 3.81Å; Y233-I373 HydrophobicContact CG-CG1 4.49Å; T289-I373 HydrophobicContact CG2-CB 4.47Å; T289-I373 HydrophobicContact CG2-CG1 3.68Å; T290-I373 PolarHBondContact O-N 2.84Å; V291-I373 WeakPolarHBondContact CA-O 3.33Å; V291-I373 HydrophobicContact CG2-CB 4.37Å; S292-I373 PolarHBondContact N-O 3.47Å; P371-I373 VanDerWaalsContact C-N 3.25Å; P371-I373 PolarHBondContact O-N 2.93Å; I373-F375 HydrophobicContact CG2-CB 4.39Å |
| 374 | D | 96.9 | Very high | 82.9 | Confident | 91 Ų | 91 | 53.2 Ų | 53.2 | 49% | 0.487 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 107 | 163.4 | -174.7 | 40.5 | 0 | 0 | 0 | 109.1 | S292 R294 | S292-D374 PolarHBondContact OG-OD1 3.15Å; S292-D374 VanDerWaalsContact OG-OD1 3.08Å; R294-D374 IonicContact NE-OD1 2.72Å |
| 375 | F | 98.5 | Very high | 85.4 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 88.8 | -179.8 | -163.9 | -80.6 | 0 | 0 | 0 | 109.2 | Y233 E242 V244 V257 L259 V291 S292 L293 R294 I373 V377 | Y233-F375 AromaticContact CD2-CD2 4Å; Y233-F375 HydrophobicContact CD2-CD2 4Å; Y233-F375 HydrophobicContact CD2-CE2 4.27Å; Y233-F375 AromaticContact CE2-CD2 3.81Å; Y233-F375 HydrophobicContact CE2-CD2 3.81Å; Y233-F375 HydrophobicContact CE2-CE2 4.09Å; E242-F375 HydrophobicContact CB-CE2 4.24Å; E242-F375 HydrophobicContact CG-CD2 4.19Å; E242-F375 HydrophobicContact CG-CE2 3.62Å; E242-F375 HydrophobicContact CG-CZ 4.37Å; V244-F375 HydrophobicContact CB-CD1 4.37Å; V244-F375 HydrophobicContact CB-CD2 4.13Å; V244-F375 HydrophobicContact CB-CE1 4.18Å; V244-F375 HydrophobicContact CB-CE2 3.9Å; V244-F375 HydrophobicContact CB-CG 4.35Å; V244-F375 HydrophobicContact CB-CZ 3.94Å; V244-F375 HydrophobicContact CG1-CD1 3.81Å; V244-F375 HydrophobicContact CG1-CD2 4.41Å; V244-F375 HydrophobicContact CG1-CE1 3.46Å; V244-F375 VanDerWaalsContact CG1-CE1 3.46Å; V244-F375 HydrophobicContact CG1-CE2 4.09Å; V244-F375 HydrophobicContact CG1-CG 4.28Å; V244-F375 HydrophobicContact CG1-CZ 3.62Å; V257-F375 HydrophobicContact CB-CE1 4.17Å; V257-F375 HydrophobicContact CB-CZ 4.38Å; V257-F375 HydrophobicContact CG1-CE1 3.88Å; V257-F375 HydrophobicContact CG1-CZ 4.18Å; L259-F375 HydrophobicContact CB-CE1 4.08Å; L259-F375 HydrophobicContact CB-CE2 4.33Å; L259-F375 HydrophobicContact CB-CZ 3.64Å; L259-F375 HydrophobicContact CD2-CD1 4.38Å; L259-F375 HydrophobicContact CD2-CE1 4.1Å; L259-F375 HydrophobicContact CD2-CZ 4.24Å; V291-F375 HydrophobicContact CG1-CB 3.48Å; V291-F375 VanDerWaalsContact CG1-CB 3.48Å; V291-F375 HydrophobicContact CG1-CG 4.46Å; S292-F375 PolarHBondContact O-N 3.32Å; L293-F375 HydrophobicContact CD1-CB 4.43Å; L293-F375 HydrophobicContact CD1-CD1 3.72Å; L293-F375 HydrophobicContact CD1-CE1 4.47Å; L293-F375 HydrophobicContact CD1-CG 4.42Å; R294-F375 PolarHBondContact N-O 2.93Å; I373-F375 HydrophobicContact CG2-CB 4.39Å; F375-V377 HydrophobicContact CD1-CG2 3.7Å; F375-V377 HydrophobicContact CE1-CG2 3.51Å |
| 376 | N | 98.2 | Very high | 87.8 | Confident | 29 Ų | 29 | 42.3 Ų | 42.3 | 16% | 0.155 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 102.7 | -173.4 | -171.7 | -0.6 | 0 | 0 | 0 | 112.8 | L259 R294 N378 | L259-N376 WeakPolarHBondContact CD2-O 3.17Å; R294-N376 HydrophobicContact CB-CB 4.49Å; N376-N378 PolarHBondContact ND2-ND2 2.9Å; N376-N378 PolarHBondContact O-N 2.84Å; N376-N378 WeakPolarHBondContact OD1-CB 3.1Å |
| 377 | V | 98.5 | Very high | 90 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 22% | 0.224 | C | C | . | . | trans | -81.4 | 63.5 | -178.4 | -169.8 | 0 | 0 | 0 | 0 | 110.7 | F212 V257 L259 R294 L295 P296 F375 F381 | F212-V377 WeakPolarHBondContact CE2-O 3.47Å; V257-V377 HydrophobicContact CG1-CG1 4.36Å; V257-V377 HydrophobicContact CG1-CG2 4.01Å; L259-V377 HydrophobicContact CD1-CB 4.47Å; L259-V377 HydrophobicContact CD1-CG1 4.16Å; L259-V377 HydrophobicContact CD2-CG2 4.49Å; R294-V377 WeakPolarHBondContact O-CB 3.4Å; R294-V377 WeakPolarHBondContact O-CG2 3.24Å; R294-V377 PolarHBondContact O-N 2.88Å; L295-V377 HydrophobicContact CD1-CB 4.27Å; L295-V377 HydrophobicContact CD1-CG1 4.33Å; L295-V377 HydrophobicContact CD1-CG2 4.01Å; P296-V377 WeakPolarHBondContact CD-O 3.44Å; P296-V377 HydrophobicContact CG-CG1 4.37Å; F375-V377 HydrophobicContact CD1-CG2 3.7Å; F375-V377 HydrophobicContact CE1-CG2 3.51Å; V377-F381 HydrophobicContact CG1-CB 4.19Å; V377-F381 HydrophobicContact CG1-CD1 3.24Å; V377-F381 HydrophobicContact CG1-CD2 4.05Å; V377-F381 HydrophobicContact CG1-CE1 3.42Å; V377-F381 VanDerWaalsContact CG1-CE1 3.42Å; V377-F381 HydrophobicContact CG1-CE2 4.2Å; V377-F381 HydrophobicContact CG1-CG 3.57Å; V377-F381 HydrophobicContact CG1-CZ 3.9Å | ||
| 378 | N | 97.7 | Very high | 92 | Very high | 27 Ų | 27 | 36.1 Ų | 36.1 | 14% | 0.144 | 21% | 0.208 | C | C | . | . | trans | -101.6 | 17.8 | -176 | 66.3 | 7.6 | 0 | 0 | 0 | 114.4 | F212 D213 M224 N376 | F212-N378 CarbonylContact C-O 3.53Å; F212-N378 WeakPolarHBondContact CA-O 3.42Å; F212-N378 VanDerWaalsContact CD2-C 3.47Å; D213-N378 PolarHBondContact N-O 2.8Å; M224-N378 HydrophobicContact CE-CB 4.38Å; N376-N378 PolarHBondContact ND2-ND2 2.9Å; N376-N378 PolarHBondContact O-N 2.84Å; N376-N378 WeakPolarHBondContact OD1-CB 3.1Å | ||
| 379 | H | 97.7 | Very high | 93.7 | Very high | 9 Ų | 9 | 37 Ų | 37 | 4% | 0.042 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -160.3 | 169.3 | -178.5 | 62.2 | -93.7 | 0 | 0 | 0 | 111.1 | F212 D213 L259 P260 K263 F381 | F212-H379 VanDerWaalsContact CE2-N 3.33Å; F212-H379 VanDerWaalsContact CZ-CA 3.48Å; F212-H379 WeakPolarHBondContact CZ-O 3.27Å; D213-H379 HydrophobicContact CB-CB 4.4Å; L259-H379 WeakPolarHBondContact CD1-CE1 3.32Å; L259-H379 VanDerWaalsContact CD1-NE2 3.31Å; L259-H379 WeakPolarHBondContact CD1-NE2 3.21Å; P260-H379 PolarHBondContact O-NE2 2.92Å; K263-H379 WeakPolarHBondContact CA-CD2 3.4Å; K263-H379 HydrophobicContact CB-CB 3.57Å; K263-H379 VanDerWaalsContact CB-CG 3.43Å; K263-H379 HydrophobicContact CD-CB 4.06Å; K263-H379 HydrophobicContact CG-CB 4.06Å; K263-H379 PolarHBondContact O-CD2 2.78Å; H379-F381 WeakPolarHBondContact O-CD1 3.43Å; H379-F381 PolarHBondContact O-N 3.32Å |
| 380 | P | 97.2 | Very high | 95.3 | Very high | 6 Ų | 6 | 34.4 Ų | 34.4 | 4% | 0.039 | 18% | 0.178 | C | C | . | . | trans | -49.2 | 132.6 | -174.7 | -33 | 35.5 | 0 | 0 | 0 | 114.5 | F212 D213 P260 L266 V399 I400 | F212-P380 HydrophobicContact CE1-CG 4.48Å; D213-P380 WeakPolarHBondContact O-CD 3.37Å; P260-P380 VanDerWaalsContact CD-O 3.31Å; P260-P380 WeakPolarHBondContact CD-O 3.23Å; L266-P380 HydrophobicContact CD1-CB 3.93Å; L266-P380 HydrophobicContact CD2-CB 4.41Å; L266-P380 HydrophobicContact CG-CB 4.36Å; P380-V399 CarbonylContact C-O 3.58Å; P380-V399 WeakPolarHBondContact CA-O 3.37Å; P380-I400 HydrophobicContact CB-CD1 4.06Å | ||
| 381 | F | 97.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 169.4 | -174.1 | 65.5 | -84.6 | 0 | 0 | 0 | 111.2 | F212 V257 L259 P296 F298 V377 H379 C383 V399 | F212-F381 HydrophobicContact CE2-CD1 4.21Å; F212-F381 HydrophobicContact CE2-CE1 4.06Å; F212-F381 HydrophobicContact CZ-CD1 4.15Å; F212-F381 HydrophobicContact CZ-CE1 4.21Å; V257-F381 HydrophobicContact CG1-CB 4.44Å; V257-F381 HydrophobicContact CG1-CD2 3.78Å; V257-F381 HydrophobicContact CG1-CE2 4.39Å; V257-F381 HydrophobicContact CG1-CG 4.34Å; L259-F381 HydrophobicContact CD1-CB 3.94Å; P296-F381 HydrophobicContact CG-CE1 4.01Å; P296-F381 HydrophobicContact CG-CZ 4.25Å; F298-F381 HydrophobicContact CD1-CZ 4.47Å; F298-F381 HydrophobicContact CE1-CE2 4.44Å; F298-F381 AromaticContact CE1-CZ 3.76Å; F298-F381 HydrophobicContact CE1-CZ 3.76Å; F298-F381 HydrophobicContact CZ-CZ 4.16Å; V377-F381 HydrophobicContact CG1-CB 4.19Å; V377-F381 HydrophobicContact CG1-CD1 3.24Å; V377-F381 HydrophobicContact CG1-CD2 4.05Å; V377-F381 HydrophobicContact CG1-CE1 3.42Å; V377-F381 VanDerWaalsContact CG1-CE1 3.42Å; V377-F381 HydrophobicContact CG1-CE2 4.2Å; V377-F381 HydrophobicContact CG1-CG 3.57Å; V377-F381 HydrophobicContact CG1-CZ 3.9Å; H379-F381 WeakPolarHBondContact O-CD1 3.43Å; H379-F381 PolarHBondContact O-N 3.32Å; F381-C383 HydrophobicContact CD2-CB 4.22Å; F381-C383 HydrophobicContact CE2-CB 4.01Å; F381-V399 HydrophobicContact CD1-CB 3.95Å; F381-V399 HydrophobicContact CD1-CG1 4.41Å; F381-V399 HydrophobicContact CD2-CB 4.32Å; F381-V399 HydrophobicContact CD2-CG2 4.1Å; F381-V399 HydrophobicContact CE1-CB 3.57Å; F381-V399 HydrophobicContact CE1-CG1 3.67Å; F381-V399 HydrophobicContact CE1-CG2 4.04Å; F381-V399 HydrophobicContact CE2-CB 3.98Å; F381-V399 HydrophobicContact CE2-CG2 3.53Å; F381-V399 HydrophobicContact CG-CB 4.32Å; F381-V399 HydrophobicContact CZ-CB 3.6Å; F381-V399 HydrophobicContact CZ-CG1 3.81Å; F381-V399 HydrophobicContact CZ-CG2 3.51Å; F381-V399 PolarHBondContact N-O 2.87Å; F381-V399 PolarHBondContact O-N 2.95Å |
| 382 | I | 98 | Very high | 96.8 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 143 | 170.9 | -78.7 | 159.1 | 0 | 0 | 0 | 108.5 | V258 A269 M270 L273 F384 A397 K398 | V258-I382 HydrophobicContact CB-CB 4.23Å; V258-I382 HydrophobicContact CB-CG2 4.4Å; V258-I382 HydrophobicContact CG2-CG2 4.47Å; V258-I382 PolarHBondContact N-O 3.09Å; V258-I382 PolarHBondContact O-N 3.18Å; A269-I382 HydrophobicContact CB-CD1 3.62Å; A269-I382 HydrophobicContact CB-CG1 4.5Å; A269-I382 VanDerWaalsContact O-CD1 3.28Å; A269-I382 WeakPolarHBondContact O-CD1 3.46Å; M270-I382 HydrophobicContact CG-CD1 4.26Å; M270-I382 HydrophobicContact SD-CD1 3.86Å; L273-I382 HydrophobicContact CB-CD1 3.66Å; L273-I382 HydrophobicContact CB-CG1 4.24Å; L273-I382 HydrophobicContact CB-CG2 4.22Å; L273-I382 HydrophobicContact CD1-CG1 4.48Å; L273-I382 HydrophobicContact CD1-CG2 4.03Å; L273-I382 HydrophobicContact CD2-CD1 4.16Å; L273-I382 HydrophobicContact CD2-CG1 4.26Å; L273-I382 HydrophobicContact CG-CD1 4.41Å; I382-F384 HydrophobicContact CG2-CD2 4.08Å; I382-F384 HydrophobicContact CG2-CE1 4.35Å; I382-F384 HydrophobicContact CG2-CE2 3.29Å; I382-F384 HydrophobicContact CG2-CZ 3.45Å; I382-F384 VanDerWaalsContact CG2-CZ 3.45Å; I382-A397 CarbonylContact C-O 3.59Å; I382-A397 VanDerWaalsContact CA-O 3.28Å; I382-A397 WeakPolarHBondContact CA-O 3.5Å; I382-A397 WeakPolarHBondContact CG2-O 2.87Å; I382-K398 HydrophobicContact CG1-CB 4.4Å; I382-K398 HydrophobicContact CG1-CG 4.41Å |
| 383 | C | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 158.1 | 171.3 | 63.2 | 0 | 0 | 0 | 0 | 112.6 | F255 V256 V257 F381 A397 | F255-C383 HydrophobicContact CE1-CB 4.17Å; F255-C383 HydrophobicContact CE2-CB 3.87Å; F255-C383 HydrophobicContact CZ-CB 3.48Å; F255-C383 VanDerWaalsContact CZ-CB 3.48Å; V256-C383 CarbonylContact O-C 3.59Å; V256-C383 WeakPolarHBondContact O-CA 3.43Å; V256-C383 WeakPolarHBondContact O-CB 3.36Å; V257-C383 HydrophobicContact CG2-CB 4.44Å; F381-C383 HydrophobicContact CD2-CB 4.22Å; F381-C383 HydrophobicContact CE2-CB 4.01Å; C383-A397 PolarHBondContact N-O 3.11Å; C383-A397 PolarHBondContact O-N 2.94Å |
| 384 | F | 98.5 | Very high | 97.1 | Very high | 1 Ų | 1 | 22.2 Ų | 22.2 | 0% | 0.004 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 150 | 178.7 | -54.3 | -90.3 | 0 | 0 | 0 | 109.6 | V256 V258 L272 L273 L279 I382 P393 I395 A396 | V256-F384 HydrophobicContact CB-CB 4.34Å; V256-F384 HydrophobicContact CG1-CD2 4.47Å; V256-F384 PolarHBondContact N-O 3.18Å; V256-F384 PolarHBondContact O-N 3.09Å; V258-F384 HydrophobicContact CG2-CD2 4.29Å; V258-F384 HydrophobicContact CG2-CE2 3.85Å; L272-F384 HydrophobicContact CB-CE2 4.42Å; L272-F384 HydrophobicContact CB-CZ 4.18Å; L273-F384 HydrophobicContact CB-CZ 4.48Å; L273-F384 HydrophobicContact CD1-CE1 4.2Å; L273-F384 HydrophobicContact CD1-CZ 4.38Å; L279-F384 HydrophobicContact CD1-CD2 4.26Å; L279-F384 HydrophobicContact CD1-CE2 4.13Å; L279-F384 HydrophobicContact CD2-CB 4.03Å; L279-F384 HydrophobicContact CD2-CD1 3.99Å; L279-F384 HydrophobicContact CD2-CD2 3.62Å; L279-F384 HydrophobicContact CD2-CE1 4.35Å; L279-F384 HydrophobicContact CD2-CE2 4Å; L279-F384 HydrophobicContact CD2-CG 3.61Å; L279-F384 HydrophobicContact CD2-CZ 4.35Å; I382-F384 HydrophobicContact CG2-CD2 4.08Å; I382-F384 HydrophobicContact CG2-CE1 4.35Å; I382-F384 HydrophobicContact CG2-CE2 3.29Å; I382-F384 HydrophobicContact CG2-CZ 3.45Å; I382-F384 VanDerWaalsContact CG2-CZ 3.45Å; F384-P393 HydrophobicContact CB-CB 4.19Å; F384-P393 HydrophobicContact CD1-CB 3.61Å; F384-P393 HydrophobicContact CD1-CG 4.2Å; F384-P393 HydrophobicContact CE1-CB 4.42Å; F384-P393 HydrophobicContact CG-CB 4.26Å; F384-I395 VanDerWaalsContact CA-O 3.24Å; F384-I395 WeakPolarHBondContact CA-O 3.37Å; F384-I395 WeakPolarHBondContact CB-O 3.43Å; F384-I395 WeakPolarHBondContact CD1-O 3.28Å; F384-A396 HydrophobicContact CD1-CB 3.73Å; F384-A396 HydrophobicContact CE1-CB 3.7Å |
| 385 | I | 98.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 115.4 | 153 | -59.1 | 171 | 0 | 0 | 0 | 105.6 | F194 L248 F253 F255 L346 I353 P393 I394 I395 | F194-I385 HydrophobicContact CB-CD1 3.91Å; F194-I385 HydrophobicContact CD1-CD1 3.59Å; F194-I385 HydrophobicContact CD2-CD1 3.85Å; F194-I385 HydrophobicContact CD2-CG2 4.13Å; F194-I385 HydrophobicContact CE1-CD1 4.07Å; F194-I385 HydrophobicContact CE2-CD1 4.3Å; F194-I385 HydrophobicContact CE2-CG2 3.69Å; F194-I385 HydrophobicContact CG-CD1 3.49Å; F194-I385 VanDerWaalsContact CG-CD1 3.49Å; F194-I385 HydrophobicContact CZ-CD1 4.41Å; F194-I385 HydrophobicContact CZ-CG2 3.94Å; L248-I385 HydrophobicContact CD1-CG2 4.48Å; F253-I385 HydrophobicContact CB-CG2 4.11Å; F253-I385 HydrophobicContact CD1-CG2 4.32Å; F253-I385 HydrophobicContact CG-CG2 4.49Å; F255-I385 HydrophobicContact CD2-CG1 4.22Å; L346-I385 HydrophobicContact CD1-CD1 3.95Å; I353-I385 HydrophobicContact CD1-CD1 3.87Å; I353-I385 HydrophobicContact CD1-CG1 4.09Å; I385-P393 WeakPolarHBondContact O-CA 3.46Å; I385-I394 HydrophobicContact CB-CD1 4.35Å; I385-I394 HydrophobicContact CB-CG1 3.92Å; I385-I394 HydrophobicContact CG2-CD1 3.76Å; I385-I394 HydrophobicContact CG2-CG1 3.78Å; I385-I394 WeakPolarHBondContact O-CG1 3.47Å; I385-I394 PolarHBondContact O-N 3.15Å; I385-I395 HydrophobicContact CB-CB 4.1Å; I385-I395 HydrophobicContact CD1-CB 4.3Å; I385-I395 HydrophobicContact CD1-CG1 4.3Å; I385-I395 HydrophobicContact CG1-CB 4.24Å; I385-I395 PolarHBondContact N-O 3.08Å; I385-I395 PolarHBondContact O-N 3.01Å |
| 386 | Y | 98.4 | Very high | 97.1 | Very high | 6 Ų | 6 | 18 Ų | 18 | 2% | 0.024 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 127.6 | -175.6 | -173.8 | -100.3 | 0 | 0 | 0 | 110 | F253 T254 L279 S280 I283 Q388 T391 | F253-Y386 WeakPolarHBondContact CA-O 3.39Å; T254-Y386 PolarHBondContact N-O 3.17Å; T254-Y386 PolarHBondContact O-N 3.37Å; L279-Y386 HydrophobicContact CD2-CD2 3.82Å; L279-Y386 HydrophobicContact CD2-CE2 4.35Å; L279-Y386 HydrophobicContact CG-CD2 4.33Å; L279-Y386 HydrophobicContact CG-CE2 4.44Å; S280-Y386 VanDerWaalsContact CB-OH 3.23Å; S280-Y386 WeakPolarHBondContact CB-OH 3.48Å; I283-Y386 HydrophobicContact CG1-CE2 4.46Å; I283-Y386 HydrophobicContact CG2-CE1 4.25Å; Y386-Q388 HydrophobicContact CD1-CG 4.4Å; Y386-T391 VanDerWaalsContact CZ-C 3.44Å; Y386-T391 WeakPolarHBondContact OH-CA 3.35Å; Y386-T391 WeakPolarHBondContact OH-CB 3.33Å; Y386-T391 PolarHBondContact OH-O 3.44Å |
| 387 | D | 97.7 | Very high | 97 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 112.8 | 172.8 | -177.1 | -28.8 | 0 | 0 | 0 | 108.7 | L100 R252 F253 Q389 L390 T391 M392 I394 | L100-D387 WeakPolarHBondContact CD2-OD2 3.36Å; R252-D387 IonicContact CZ-OD1 2.72Å; R252-D387 IonicContact CZ-OD2 2.89Å; R252-D387 VanDerWaalsContact CZ-OD2 3.29Å; R252-D387 VanDerWaalsContact NE-CG 3.33Å; R252-D387 IonicContact NE-OD1 3.29Å; R252-D387 PolarHBondContact NE-OD1 2.88Å; R252-D387 VanDerWaalsContact NE-OD1 3.09Å; R252-D387 IonicContact NE-OD2 2.77Å; R252-D387 PolarHBondContact NE-OD2 3.09Å; R252-D387 IonicContact NH2-OD1 3.79Å; R252-D387 IonicContact NH2-OD2 2.95Å; R252-D387 PolarHBondContact NH2-OD2 3.11Å; F253-D387 HydrophobicContact CD1-CB 4.14Å; F253-D387 HydrophobicContact CE1-CB 4.01Å; D387-Q389 VanDerWaalsContact C-N 3.28Å; D387-Q389 PolarHBondContact O-N 2.91Å; D387-Q389 WeakPolarHBondContact OD1-CA 3.36Å; D387-Q389 WeakPolarHBondContact OD1-CB 3.38Å; D387-Q389 PolarHBondContact OD1-N 3.24Å; D387-L390 HydrophobicContact CB-CB 4.1Å; D387-L390 PolarHBondContact OD1-N 3.08Å; D387-L390 WeakPolarHBondContact OD2-CD1 3.48Å; D387-L390 WeakPolarHBondContact OD2-CG 3.39Å; D387-T391 WeakPolarHBondContact O-CA 3.39Å; D387-T391 PolarHBondContact O-N 3.04Å; D387-M392 PolarHBondContact N-O 3.33Å; D387-M392 PolarHBondContact O-N 2.56Å; D387-I394 HydrophobicContact CB-CG2 3.86Å |
| 388 | Q | 96.4 | Very high | 96.9 | Very high | 73 Ų | 73 | 16.8 Ų | 16.8 | 34% | 0.341 | 9% | 0.085 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -31.9 | -179.3 | -64 | -68.9 | -18.6 | 0 | 0 | 112.1 | R252 T254 Y386 T391 | R252-Q388 WeakPolarHBondContact O-CB 3.36Å; R252-Q388 VanDerWaalsContact O-CG 3.26Å; R252-Q388 WeakPolarHBondContact O-CG 3.46Å; R252-Q388 PolarHBondContact O-N 3.44Å; T254-Q388 HydrophobicContact CG2-CG 4.21Å; T254-Q388 VanDerWaalsContact CG2-NE2 3.34Å; T254-Q388 PolarHBondContact OG1-NE2 3.19Å; T254-Q388 VanDerWaalsContact OG1-NE2 3.1Å; Y386-Q388 HydrophobicContact CD1-CG 4.4Å; Q388-T391 VanDerWaalsContact O-CG2 3.3Å; Q388-T391 WeakPolarHBondContact O-CG2 3.11Å |
| 389 | Q | 94.5 | Very high | 96.8 | Very high | 125 Ų | 125 | 15.5 Ų | 15.5 | 58% | 0.584 | 8% | 0.079 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.5 | -48 | -179.9 | -178.7 | 178 | -9.8 | 0 | 0 | 111.2 | R252 D387 T391 | R252-Q389 HydrophobicContact CG-CB 4.28Å; D387-Q389 VanDerWaalsContact C-N 3.28Å; D387-Q389 PolarHBondContact O-N 2.91Å; D387-Q389 WeakPolarHBondContact OD1-CA 3.36Å; D387-Q389 WeakPolarHBondContact OD1-CB 3.38Å; D387-Q389 PolarHBondContact OD1-N 3.24Å; Q389-T391 PolarHBondContact O-N 3.35Å |
| 390 | L | 94.7 | Very high | 96.7 | Very high | 18 Ų | 18 | 16.3 Ų | 16.3 | 9% | 0.094 | 8% | 0.083 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | -15.4 | 175.4 | -64.2 | 180 | 0 | 0 | 0 | 112.1 | K20 L44 L96 L100 D387 M392 | K20-L390 WeakPolarHBondContact CE-O 3.31Å; K20-L390 PolarHBondContact NZ-O 3.09Å; L44-L390 HydrophobicContact CD1-CD1 4.19Å; L96-L390 HydrophobicContact CD2-CD1 3.97Å; L96-L390 HydrophobicContact CD2-CD2 3.79Å; L100-L390 HydrophobicContact CD2-CD1 4.29Å; L100-L390 HydrophobicContact CG-CD1 4.48Å; D387-L390 HydrophobicContact CB-CB 4.1Å; D387-L390 PolarHBondContact OD1-N 3.08Å; D387-L390 WeakPolarHBondContact OD2-CD1 3.48Å; D387-L390 WeakPolarHBondContact OD2-CG 3.39Å; L390-M392 VanDerWaalsContact C-N 3.33Å; L390-M392 HydrophobicContact CB-CG 3.76Å; L390-M392 HydrophobicContact CB-SD 4.28Å; L390-M392 PolarHBondContact O-N 3.2Å |
| 391 | T | 95.3 | Very high | 96.6 | Very high | 57 Ų | 57 | 18.8 Ų | 18.8 | 35% | 0.35 | 9% | 0.094 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.4 | 40.9 | -176 | 60.3 | 0 | 0 | 0 | 0 | 113.4 | K20 Y386 D387 Q388 Q389 | K20-T391 PolarHBondContact NZ-OG1 3.38Å; Y386-T391 VanDerWaalsContact CZ-C 3.44Å; Y386-T391 WeakPolarHBondContact OH-CA 3.35Å; Y386-T391 WeakPolarHBondContact OH-CB 3.33Å; Y386-T391 PolarHBondContact OH-O 3.44Å; D387-T391 WeakPolarHBondContact O-CA 3.39Å; D387-T391 PolarHBondContact O-N 3.04Å; Q388-T391 VanDerWaalsContact O-CG2 3.3Å; Q388-T391 WeakPolarHBondContact O-CG2 3.11Å; Q389-T391 PolarHBondContact O-N 3.35Å |
| 392 | M | 95.3 | Very high | 96.4 | Very high | 8 Ų | 8 | 18.9 Ų | 18.9 | 4% | 0.039 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 159.4 | -177.8 | 64.4 | 177 | -76.1 | 0 | 0 | 111.9 | H19 K20 T23 L44 D387 L390 | H19-M392 PolarHBondContact CD2-SD 3.16Å; K20-M392 HydrophobicContact CG-SD 4Å; T23-M392 HydrophobicContact CG2-CE 3.78Å; T23-M392 WeakPolarHBondContact OG1-CE 3.27Å; L44-M392 HydrophobicContact CD1-CE 4.36Å; L44-M392 HydrophobicContact CD2-CE 3.99Å; L44-M392 HydrophobicContact CG-CE 4.07Å; D387-M392 PolarHBondContact N-O 3.33Å; D387-M392 PolarHBondContact O-N 2.56Å; L390-M392 VanDerWaalsContact C-N 3.33Å; L390-M392 HydrophobicContact CB-CG 3.76Å; L390-M392 HydrophobicContact CB-SD 4.28Å; L390-M392 PolarHBondContact O-N 3.2Å |
| 393 | P | 96.4 | Very high | 95.9 | Very high | 16 Ų | 16 | 22.9 Ų | 22.9 | 10% | 0.104 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 132.8 | 170.2 | 29 | -34.3 | 0 | 0 | 0 | 111 | L279 F384 I385 | L279-P393 HydrophobicContact CD2-CB 4.4Å; F384-P393 HydrophobicContact CB-CB 4.19Å; F384-P393 HydrophobicContact CD1-CB 3.61Å; F384-P393 HydrophobicContact CD1-CG 4.2Å; F384-P393 HydrophobicContact CE1-CB 4.42Å; F384-P393 HydrophobicContact CG-CB 4.26Å; I385-P393 WeakPolarHBondContact O-CA 3.46Å |
| 394 | I | 95.5 | Very high | 94.9 | Very high | 1 Ų | 1 | 26.9 Ų | 26.9 | 1% | 0.005 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | -27 | 165.1 | 60.8 | 168.3 | 0 | 0 | 0 | 111.2 | C42 L44 L100 V115 F192 F194 F253 I385 D387 | C42-I394 WeakPolarHBondContact CA-O 3.3Å; C42-I394 PolarHBondContact SG-O 2.69Å; L44-I394 HydrophobicContact CD1-CG2 4.18Å; L100-I394 HydrophobicContact CD2-CG2 4.18Å; V115-I394 HydrophobicContact CG2-CD1 3.97Å; F192-I394 HydrophobicContact CZ-CD1 4.27Å; F194-I394 HydrophobicContact CD2-CD1 3.8Å; F194-I394 HydrophobicContact CE2-CD1 3.87Å; F253-I394 HydrophobicContact CD1-CD1 3.92Å; F253-I394 HydrophobicContact CE1-CD1 3.79Å; I385-I394 HydrophobicContact CB-CD1 4.35Å; I385-I394 HydrophobicContact CB-CG1 3.92Å; I385-I394 HydrophobicContact CG2-CD1 3.76Å; I385-I394 HydrophobicContact CG2-CG1 3.78Å; I385-I394 WeakPolarHBondContact O-CG1 3.47Å; I385-I394 PolarHBondContact O-N 3.15Å; D387-I394 HydrophobicContact CB-CG2 3.86Å |
| 395 | I | 96.1 | Very high | 93.3 | Very high | 2 Ų | 2 | 29 Ų | 29 | 1% | 0.01 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 140.2 | 171.6 | -78.3 | -75.9 | 0 | 0 | 0 | 109.1 | L40 C42 F192 F384 I385 | L40-I395 HydrophobicContact CD1-CD1 3.98Å; L40-I395 HydrophobicContact CD1-CG2 3.45Å; L40-I395 VanDerWaalsContact CD1-CG2 3.45Å; C42-I395 HydrophobicContact CB-CD1 3.97Å; F192-I395 HydrophobicContact CD1-CD1 3.34Å; F192-I395 HydrophobicContact CD1-CG1 3.87Å; F192-I395 HydrophobicContact CE1-CD1 3.24Å; F192-I395 HydrophobicContact CE1-CG1 3.17Å; F192-I395 HydrophobicContact CE2-CG1 4.34Å; F192-I395 HydrophobicContact CG-CD1 4.08Å; F192-I395 HydrophobicContact CZ-CD1 3.89Å; F192-I395 HydrophobicContact CZ-CG1 3.45Å; F192-I395 VanDerWaalsContact CZ-CG1 3.45Å; F384-I395 VanDerWaalsContact CA-O 3.24Å; F384-I395 WeakPolarHBondContact CA-O 3.37Å; F384-I395 WeakPolarHBondContact CB-O 3.43Å; F384-I395 WeakPolarHBondContact CD1-O 3.28Å; I385-I395 HydrophobicContact CB-CB 4.1Å; I385-I395 HydrophobicContact CD1-CB 4.3Å; I385-I395 HydrophobicContact CD1-CG1 4.3Å; I385-I395 HydrophobicContact CG1-CB 4.24Å; I385-I395 PolarHBondContact N-O 3.08Å; I385-I395 PolarHBondContact O-N 3.01Å |
| 396 | A | 97.7 | Very high | 90.8 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 129.5 | 170.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | L27 L40 T41 L273 F384 | L27-A396 HydrophobicContact CD1-CB 4.37Å; L27-A396 HydrophobicContact CD2-CB 3.69Å; L40-A396 WeakPolarHBondContact CA-O 3.4Å; T41-A396 PolarHBondContact N-O 3.12Å; T41-A396 PolarHBondContact O-N 3.36Å; T41-A396 VanDerWaalsContact O-N 3.1Å; L273-A396 HydrophobicContact CD1-CB 3.86Å; F384-A396 HydrophobicContact CD1-CB 3.73Å; F384-A396 HydrophobicContact CE1-CB 3.7Å |
| 397 | A | 97.3 | Very high | 90.4 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 145.9 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | F39 L40 L300 L346 I382 C383 | F39-A397 CarbonylContact O-C 3.58Å; F39-A397 WeakPolarHBondContact O-CA 3.45Å; F39-A397 WeakPolarHBondContact O-CB 3.19Å; L40-A397 HydrophobicContact CD1-CB 3.73Å; L300-A397 HydrophobicContact CD1-CB 4.34Å; L346-A397 HydrophobicContact CD2-CB 4.39Å; I382-A397 CarbonylContact C-O 3.59Å; I382-A397 VanDerWaalsContact CA-O 3.28Å; I382-A397 WeakPolarHBondContact CA-O 3.5Å; I382-A397 WeakPolarHBondContact CG2-O 2.87Å; C383-A397 PolarHBondContact N-O 3.11Å; C383-A397 PolarHBondContact O-N 2.94Å |
| 398 | K | 96.3 | Very high | 90 | Very high | 3 Ų | 3 | 41.6 Ų | 41.6 | 1% | 0.013 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 124 | 167.2 | -174.9 | 178.4 | 66.1 | -179.2 | 0 | 107.7 | G35 Q36 D37 N38 F39 L266 M270 L273 I382 I400 | G35-K398 PolarHBondContact O-NZ 2.76Å; Q36-K398 PolarHBondContact O-NZ 2.9Å; D37-K398 WeakPolarHBondContact O-CE 3.44Å; D37-K398 PolarHBondContact O-NZ 3.2Å; N38-K398 WeakPolarHBondContact CA-O 3.32Å; F39-K398 HydrophobicContact CB-CB 4.07Å; F39-K398 PolarHBondContact N-O 3.43Å; F39-K398 PolarHBondContact O-N 3.21Å; L266-K398 HydrophobicContact CD1-CD 4.4Å; M270-K398 HydrophobicContact SD-CD 3.72Å; L273-K398 HydrophobicContact CD2-CB 3.87Å; L273-K398 HydrophobicContact CD2-CD 4.49Å; I382-K398 HydrophobicContact CG1-CB 4.4Å; I382-K398 HydrophobicContact CG1-CG 4.41Å; K398-I400 HydrophobicContact CD-CD1 3.93Å; K398-I400 HydrophobicContact CD-CG1 4.42Å; K398-I400 HydrophobicContact CG-CD1 3.89Å; K398-I400 HydrophobicContact CG-CG1 4.27Å |
| 399 | V | 96.2 | Very high | 89.7 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 101.2 | -179.7 | -166.6 | 0 | 0 | 0 | 0 | 108 | F298 L300 P380 F381 P402 | F298-V399 HydrophobicContact CE2-CG2 4.37Å; F298-V399 HydrophobicContact CZ-CG2 4.2Å; L300-V399 HydrophobicContact CD1-CG2 3.88Å; P380-V399 CarbonylContact C-O 3.58Å; P380-V399 WeakPolarHBondContact CA-O 3.37Å; F381-V399 HydrophobicContact CD1-CB 3.95Å; F381-V399 HydrophobicContact CD1-CG1 4.41Å; F381-V399 HydrophobicContact CD2-CB 4.32Å; F381-V399 HydrophobicContact CD2-CG2 4.1Å; F381-V399 HydrophobicContact CE1-CB 3.57Å; F381-V399 HydrophobicContact CE1-CG1 3.67Å; F381-V399 HydrophobicContact CE1-CG2 4.04Å; F381-V399 HydrophobicContact CE2-CB 3.98Å; F381-V399 HydrophobicContact CE2-CG2 3.53Å; F381-V399 HydrophobicContact CG-CB 4.32Å; F381-V399 HydrophobicContact CZ-CB 3.6Å; F381-V399 HydrophobicContact CZ-CG1 3.81Å; F381-V399 HydrophobicContact CZ-CG2 3.51Å; F381-V399 PolarHBondContact N-O 2.87Å; F381-V399 PolarHBondContact O-N 2.95Å; V399-P402 HydrophobicContact CG1-CB 4.32Å |
| 400 | I | 95.3 | Very high | 89.4 | Confident | 27 Ų | 27 | 34.9 Ų | 34.9 | 14% | 0.138 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -88.7 | -43.1 | 172.8 | -55.5 | -60.9 | 0 | 0 | 0 | 110.3 | Q36 N38 F212 I214 L266 P380 K398 | Q36-I400 WeakPolarHBondContact O-CD1 3.23Å; Q36-I400 WeakPolarHBondContact O-CG1 3.15Å; N38-I400 WeakPolarHBondContact OD1-CA 3.17Å; N38-I400 PolarHBondContact OD1-N 2.63Å; F212-I400 WeakPolarHBondContact CE1-O 3.42Å; I214-I400 HydrophobicContact CG2-CG2 3.92Å; L266-I400 HydrophobicContact CD1-CD1 3.58Å; P380-I400 HydrophobicContact CB-CD1 4.06Å; K398-I400 HydrophobicContact CD-CD1 3.93Å; K398-I400 HydrophobicContact CD-CG1 4.42Å; K398-I400 HydrophobicContact CG-CD1 3.89Å; K398-I400 HydrophobicContact CG-CG1 4.27Å |
| 401 | E | 94.7 | Very high | 89.1 | Confident | 58 Ų | 58 | 35.9 Ų | 35.9 | 27% | 0.271 | 22% | 0.215 | S | C | . | . | S | Bend | trans | -131.9 | 107.2 | 179.2 | 179.7 | 165.6 | -172.2 | 0 | 0 | 109.3 | N38 I214 R218 I220 I403 | N38-E401 PolarHBondContact ND2-O 3.26Å; N38-E401 PolarHBondContact OD1-N 3.37Å; I214-E401 HydrophobicContact CD1-CB 3.97Å; I214-E401 HydrophobicContact CD1-CG 3.67Å; R218-E401 IonicContact CZ-OE1 2.69Å; R218-E401 IonicContact CZ-OE2 2.8Å; R218-E401 IonicContact NH1-OE1 3.72Å; R218-E401 IonicContact NH1-OE2 3.36Å; R218-E401 PolarHBondContact NH1-OE2 2.82Å; R218-E401 IonicContact NH2-OE1 2.77Å; R218-E401 PolarHBondContact NH2-OE1 3.27Å; R218-E401 IonicContact NH2-OE2 4Å; R218-E401 PolarHBondContact NH2-OE2 2.7Å; I220-E401 HydrophobicContact CD1-CG 3.93Å; E401-I403 PolarHBondContact O-N 3.22Å; E401-I403 VanDerWaalsContact O-N 3.08Å |
| 402 | P | 94.2 | Very high | 88.6 | Confident | 1 Ų | 1 | 34.5 Ų | 34.5 | 1% | 0.006 | 21% | 0.206 | C | C | . | . | trans | -64.9 | 108.7 | 172.3 | 25.4 | -34.2 | 0 | 0 | 0 | 110.2 | F212 I220 V222 P296 F298 V399 I404 | F212-P402 HydrophobicContact CB-CG 4.48Å; F212-P402 HydrophobicContact CD1-CG 4.02Å; F212-P402 HydrophobicContact CD2-CG 3.82Å; F212-P402 VanDerWaalsContact CE1-CD 3.46Å; F212-P402 HydrophobicContact CE1-CG 4.15Å; F212-P402 HydrophobicContact CE2-CG 3.94Å; F212-P402 HydrophobicContact CG-CG 3.84Å; F212-P402 HydrophobicContact CZ-CG 4.08Å; I220-P402 HydrophobicContact CD1-CG 4.15Å; V222-P402 HydrophobicContact CG1-CG 3.71Å; P296-P402 HydrophobicContact CB-CB 4.17Å; P296-P402 HydrophobicContact CB-CG 4.37Å; P296-P402 HydrophobicContact CG-CB 4.4Å; F298-P402 HydrophobicContact CB-CB 3.54Å; F298-P402 HydrophobicContact CD1-CB 4.34Å; F298-P402 HydrophobicContact CG-CB 4.1Å; V399-P402 HydrophobicContact CG1-CB 4.32Å; P402-I404 PolarHBondContact O-N 2.69Å | ||
| 403 | I | 87.6 | Confident | 88.2 | Confident | 85 Ų | 85 | 36.4 Ų | 36.4 | 44% | 0.436 | 22% | 0.217 | S | C | . | . | trans | -78.6 | 123.1 | -179.4 | -48.3 | 175.6 | 0 | 0 | 0 | 108.8 | F298 T299 E401 S405 | F298-I403 CarbonylContact C-O 3.57Å; F298-I403 WeakPolarHBondContact CA-O 3.46Å; T299-I403 PolarHBondContact N-O 2.61Å; T299-I403 WeakPolarHBondContact O-CB 3.2Å; E401-I403 PolarHBondContact O-N 3.22Å; E401-I403 VanDerWaalsContact O-N 3.08Å; I403-S405 PolarHBondContact O-N 3.36Å | ||
| 404 | I | 77.3 | Confident | 87.5 | Confident | 84 Ų | 84 | 38 Ų | 38 | 43% | 0.431 | 23% | 0.226 | S | C | . | . | trans | -83.6 | 112.4 | 179.1 | -55.2 | 163.3 | 0 | 0 | 0 | 107.3 | K221 V222 P223 P402 S406 | K221-I404 WeakPolarHBondContact O-CD1 3.33Å; V222-I404 HydrophobicContact CG1-CD1 4.34Å; P223-I404 HydrophobicContact CG-CG2 4.36Å; P402-I404 PolarHBondContact O-N 2.69Å; I404-S406 PolarHBondContact O-N 3Å | ||
| 405 | S | 64.1 | Low | 86.9 | Confident | 45 Ų | 45 | 41.1 Ų | 41.1 | 32% | 0.315 | 25% | 0.245 | S | C | . | . | trans | -70.7 | 128.3 | 168.6 | 57.7 | 0 | 0 | 0 | 0 | 109 | T299 I403 | T299-S405 WeakPolarHBondContact OG1-CB 3.35Å; T299-S405 PolarHBondContact OG1-OG 2.85Å; I403-S405 PolarHBondContact O-N 3.36Å | ||
| 406 | S | 45.7 | Very low | 86 | Confident | 188 Ų | 188 | 44.6 Ų | 44.6 | 100% | 1.315 | 27% | 0.266 | S | S | * | . | trans | -56.4 | 0 | 166.7 | 56.3 | 0 | 0 | 0 | 0 | 112.3 | I404 | I404-S406 PolarHBondContact O-N 3Š|
Retrieved 406 of 406 residues in 451.4 ms
(Link to these results)