| 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 | 33 | Very low | 64.7 | Low | 239 Ų | 239 | 95.8 Ų | 95.8 | 100% | 1.177 | 49% | 0.487 | S | S | * | . | 0 | 92 | 0 | -161.4 | -176.5 | -81.8 | 0 | 0 | 104.4 | T3 | M1-T3 PolarHBondContact O-N 3.08Š| |||
| 2 | E | 38 | Very low | 67.5 | Low | 168 Ų | 168 | 89.3 Ų | 89.3 | 79% | 0.785 | 45% | 0.453 | S | S | * | . | trans | -61.3 | 122.5 | 177.7 | -75.4 | 176.5 | 155.9 | 0 | 0 | 107.4 | ||||
| 3 | T | 38.1 | Very low | 69.8 | Low | 88 Ų | 88 | 89.2 Ų | 89.2 | 54% | 0.54 | 46% | 0.462 | S | S | . | . | trans | -67.9 | 140.8 | 175.3 | 46 | 0 | 0 | 0 | 0 | 108 | M1 S5 D6 | M1-T3 PolarHBondContact O-N 3.08Å; T3-S5 PolarHBondContact O-N 3.22Å; T3-S5 PolarHBondContact OG1-OG 3.1Å; T3-D6 PolarHBondContact O-N 3.46Å | ||
| 4 | L | 47.7 | Very low | 71.8 | Confident | 141 Ų | 141 | 85.8 Ų | 85.8 | 74% | 0.738 | 45% | 0.445 | S | S | * | . | G | 310 helix | trans | -52.4 | -17.9 | -179.8 | -72.5 | 162.6 | 0 | 0 | 0 | 113.9 | D6 | L4-D6 VanDerWaalsContact C-N 3.34Š|
| 5 | S | 50.7 | Low | 73.6 | Confident | 59 Ų | 59 | 83.1 Ų | 83.1 | 41% | 0.413 | 43% | 0.43 | S | S | . | . | G | 310 helix | trans | -66.5 | -27.3 | 174.5 | 66.8 | 0 | 0 | 0 | 0 | 114.4 | T3 Q7 F8 | T3-S5 PolarHBondContact O-N 3.22Å; T3-S5 PolarHBondContact OG1-OG 3.1Å; S5-Q7 PolarHBondContact O-N 2.76Å; S5-F8 PolarHBondContact O-N 2.75Å |
| 6 | D | 57.1 | Low | 75.1 | Confident | 68 Ų | 68 | 77.9 Ų | 77.9 | 36% | 0.364 | 40% | 0.403 | S | S | . | . | G | 310 helix | trans | -75.9 | -2.5 | -177.3 | -83.9 | -24.1 | 0 | 0 | 0 | 113.6 | T3 L4 R43 | T3-D6 PolarHBondContact O-N 3.46Å; L4-D6 VanDerWaalsContact C-N 3.34Å; D6-R43 PolarHBondContact O-NH1 2.92Å; D6-R43 PolarHBondContact O-NH2 2.89Å |
| 7 | Q | 68.8 | Low | 76.5 | Confident | 137 Ų | 137 | 79.6 Ų | 79.6 | 64% | 0.64 | 42% | 0.417 | S | S | * | . | G | 310 helix | trans | -83.6 | -22.2 | 175.4 | -73.4 | -176.6 | -2.4 | 0 | 0 | 113.3 | S5 | S5-Q7 PolarHBondContact O-N 2.76Š|
| 8 | F | 87.4 | Confident | 77.7 | Confident | 99 Ų | 99 | 76.3 Ų | 76.3 | 43% | 0.434 | 40% | 0.4 | S | S | . | . | S | Bend | trans | -108.1 | 145 | -174.1 | -62.4 | -72.4 | 0 | 0 | 0 | 111.5 | S5 Q244 | S5-F8 PolarHBondContact O-N 2.75Å; F8-Q244 HydrophobicContact CD1-CB 4.35Å; F8-Q244 HydrophobicContact CD1-CG 3.82Å; F8-Q244 HydrophobicContact CE1-CG 4.48Å |
| 9 | L | 94.5 | Very high | 78.8 | Confident | 12 Ų | 12 | 72.6 Ų | 72.6 | 6% | 0.063 | 38% | 0.381 | C | S | . | . | trans | -81 | 133.7 | 172.7 | -68.9 | 172.8 | 0 | 0 | 0 | 109.6 | L45 I50 F51 I242 Q244 | L9-L45 HydrophobicContact CD2-CD2 4.19Å; L9-I50 WeakPolarHBondContact CD1-O 3.5Å; L9-F51 HydrophobicContact CB-CD2 4.29Å; L9-F51 HydrophobicContact CB-CE2 4.16Å; L9-F51 HydrophobicContact CD1-CD2 3.89Å; L9-F51 HydrophobicContact CD2-CD2 4.15Å; L9-F51 HydrophobicContact CG-CD2 4.35Å; L9-I242 HydrophobicContact CB-CG2 3.84Å; L9-Q244 PolarHBondContact O-NE2 2.89Å | ||
| 10 | E | 97.3 | Very high | 79.8 | Confident | 40 Ų | 40 | 74 Ų | 74 | 19% | 0.187 | 39% | 0.387 | C | S | . | . | trans | -130.5 | 160.1 | 176 | -65.4 | 173.5 | -107.9 | 0 | 0 | 108.7 | G25 K42 | E10-G25 CarbonylContact C-O 3.39Å; E10-G25 WeakPolarHBondContact CA-O 3.25Å; E10-K42 HydrophobicContact CB-CB 4Å; E10-K42 HydrophobicContact CB-CD 3.72Å; E10-K42 HydrophobicContact CG-CD 4.32Å; E10-K42 WeakPolarHBondContact O-CB 3.21Å; E10-K42 PolarHBondContact O-N 2.84Å; E10-K42 IonicContact OE1-NZ 2.99Å; E10-K42 PolarHBondContact OE1-NZ 2.9Å; E10-K42 IonicContact OE2-NZ 3.78Å; E10-K42 PolarHBondContact OE2-NZ 2.93Å | ||
| 11 | F | 98.7 | Very high | 80.7 | Confident | 3 Ų | 3 | 72.3 Ų | 72.3 | 1% | 0.013 | 38% | 0.378 | C | S | . | . | B | Isolated β-bridge | trans | -74.6 | 144 | 164 | -69.3 | -65.7 | 0 | 0 | 0 | 110.3 | L21 G25 T26 A28 C39 F40 F51 I53 V231 V240 I242 | F11-L21 HydrophobicContact CB-CD1 3.86Å; F11-L21 HydrophobicContact CB-CD2 3.76Å; F11-L21 HydrophobicContact CB-CG 4.48Å; F11-L21 HydrophobicContact CD2-CD2 4.07Å; F11-L21 HydrophobicContact CG-CD2 4.12Å; F11-G25 WeakPolarHBondContact CD2-O 3.26Å; F11-G25 PolarHBondContact N-O 2.9Å; F11-T26 WeakPolarHBondContact CE2-O 3.34Å; F11-A28 HydrophobicContact CD2-CB 3.91Å; F11-A28 HydrophobicContact CE2-CB 3.74Å; F11-A28 HydrophobicContact CG-CB 4.45Å; F11-A28 HydrophobicContact CZ-CB 4.15Å; F11-C39 HydrophobicContact CD1-CB 3.68Å; F11-C39 HydrophobicContact CE1-CB 3.94Å; F11-C39 HydrophobicContact CG-CB 4.45Å; F11-F40 CarbonylContact C-O 3.53Å; F11-F40 VanDerWaalsContact CA-O 3.29Å; F11-F40 WeakPolarHBondContact CA-O 3.39Å; F11-F51 HydrophobicContact CD1-CE1 4.42Å; F11-F51 AromaticContact CD1-CZ 3.95Å; F11-F51 HydrophobicContact CD1-CZ 3.95Å; F11-F51 AromaticContact CE1-CE1 3.8Å; F11-F51 HydrophobicContact CE1-CE1 3.8Å; F11-F51 AromaticContact CE1-CZ 3.75Å; F11-F51 HydrophobicContact CE1-CZ 3.75Å; F11-F51 HydrophobicContact CZ-CE1 4.4Å; F11-F51 HydrophobicContact CZ-CZ 4.44Å; F11-I53 HydrophobicContact CZ-CG2 4.05Å; F11-V231 HydrophobicContact CE1-CB 4.39Å; F11-V231 HydrophobicContact CE1-CG2 4.23Å; F11-V240 HydrophobicContact CE2-CG2 4.41Å; F11-V240 HydrophobicContact CZ-CG2 3.91Å; F11-I242 HydrophobicContact CD1-CD1 4.22Å; F11-I242 HydrophobicContact CD2-CD1 3.78Å; F11-I242 HydrophobicContact CD2-CG1 4.06Å; F11-I242 HydrophobicContact CE1-CD1 4.28Å; F11-I242 HydrophobicContact CE1-CG1 4.22Å; F11-I242 HydrophobicContact CE2-CD1 3.86Å; F11-I242 HydrophobicContact CE2-CG1 3.59Å; F11-I242 HydrophobicContact CG-CD1 3.98Å; F11-I242 HydrophobicContact CZ-CD1 4.1Å; F11-I242 HydrophobicContact CZ-CG1 3.67Å |
| 12 | H | 98.4 | Very high | 83.7 | Confident | 17 Ų | 17 | 62.9 Ų | 62.9 | 8% | 0.079 | 33% | 0.333 | C | S | . | . | trans | -70.1 | 142.1 | 173.8 | -167.2 | -95.1 | 0 | 0 | 0 | 110.2 | N14 F40 P75 | H12-N14 VanDerWaalsContact CE1-CB 3.48Å; H12-N14 WeakPolarHBondContact CE1-CB 3.48Å; H12-N14 WeakPolarHBondContact ND1-CB 3.43Å; H12-N14 PolarHBondContact ND1-N 2.84Å; H12-N14 PolarHBondContact O-N 3.16Å; H12-F40 HydrophobicContact CB-CB 4.08Å; H12-F40 PolarHBondContact N-O 3.07Å; H12-P75 HydrophobicContact CB-CB 4.15Å; H12-P75 WeakPolarHBondContact ND1-CB 3.48Å | ||
| 13 | P | 97.8 | Very high | 86.4 | Confident | 89 Ų | 89 | 65 Ų | 65 | 58% | 0.578 | 34% | 0.343 | S | S | * | . | S | Bend | trans | -67.3 | -20.5 | 178.2 | 26.8 | -36.5 | 0 | 0 | 0 | 114.1 | H15 | P13-H15 PolarHBondContact O-CD2 3.31Å; P13-H15 PolarHBondContact O-N 2.77Å; P13-H15 PolarHBondContact O-NE2 3.06Å |
| 14 | N | 98.1 | Very high | 88.9 | Confident | 41 Ų | 41 | 63.4 Ų | 63.4 | 22% | 0.219 | 34% | 0.336 | C | S | . | . | trans | -82.6 | 110.9 | 167.3 | -163 | 16.3 | 0 | 0 | 0 | 109.3 | H12 F40 P75 L78 V81 | H12-N14 VanDerWaalsContact CE1-CB 3.48Å; H12-N14 WeakPolarHBondContact CE1-CB 3.48Å; H12-N14 WeakPolarHBondContact ND1-CB 3.43Å; H12-N14 PolarHBondContact ND1-N 2.84Å; H12-N14 PolarHBondContact O-N 3.16Å; N14-F40 WeakPolarHBondContact O-CD2 3.35Å; N14-P75 PolarHBondContact ND2-O 3.38Å; N14-L78 PolarHBondContact ND2-O 3.46Å; N14-V81 WeakPolarHBondContact OD1-CG2 3.41Å | ||
| 15 | H | 98.5 | Very high | 91.2 | Very high | 46 Ų | 46 | 57.1 Ų | 57.1 | 21% | 0.213 | 30% | 0.304 | C | S | . | . | trans | -148 | 173.2 | -176.7 | 55.1 | 64.8 | 0 | 0 | 0 | 109.7 | P13 I19 I38 | P13-H15 PolarHBondContact O-CD2 3.31Å; P13-H15 PolarHBondContact O-N 2.77Å; P13-H15 PolarHBondContact O-NE2 3.06Å; H15-I19 HydrophobicContact CB-CB 4.3Å; H15-I19 HydrophobicContact CB-CG2 4.23Å; H15-I19 PolarHBondContact CE1-O 2.97Å; H15-I19 PolarHBondContact ND1-O 3.17Å; H15-I38 CarbonylContact C-O 3.57Å; H15-I38 WeakPolarHBondContact CA-O 3.46Å; H15-I38 WeakPolarHBondContact CB-O 3.44Å | ||
| 16 | G | 98.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 29% | 0.292 | C | S | . | . | trans | -58.3 | 152.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | N18 I19 N36 I38 | G16-N18 PolarHBondContact O-N 3.32Å; G16-N18 VanDerWaalsContact O-N 3.16Å; G16-I19 PolarHBondContact O-N 3.14Å; G16-I19 VanDerWaalsContact O-N 3.08Å; G16-N36 CarbonylContact C-O 3.37Å; G16-N36 WeakPolarHBondContact CA-O 3.48Å; G16-I38 PolarHBondContact N-O 2.82Å | ||
| 17 | T | 97.9 | Very high | 95.4 | Very high | 106 Ų | 106 | 54.3 Ų | 54.3 | 65% | 0.65 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -23.2 | -173.2 | 50.6 | 0 | 0 | 0 | 0 | 113.9 | N36 | T17-N36 VanDerWaalsContact OG1-CB 3.3Å; T17-N36 WeakPolarHBondContact OG1-CB 3.31Å |
| 18 | N | 98.2 | Very high | 96.8 | Very high | 20 Ų | 20 | 47.8 Ų | 47.8 | 11% | 0.107 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | 8.8 | 179.5 | -68.9 | -17.3 | 0 | 0 | 0 | 113 | G16 R30 V31 E32 A35 N36 | G16-N18 PolarHBondContact O-N 3.32Å; G16-N18 VanDerWaalsContact O-N 3.16Å; N18-R30 HydrophobicContact CB-CG 3.9Å; N18-R30 CarbonylContact O-C 3.57Å; N18-R30 WeakPolarHBondContact O-CA 3.43Å; N18-V31 WeakPolarHBondContact O-CG2 3.24Å; N18-V31 PolarHBondContact O-N 2.74Å; N18-E32 PolarHBondContact ND2-O 3.3Å; N18-E32 VanDerWaalsContact ND2-O 3.15Å; N18-A35 PolarHBondContact ND2-O 2.77Å; N18-N36 HydrophobicContact CB-CB 4.04Å; N18-N36 PolarHBondContact N-O 3.43Å |
| 19 | I | 98.6 | Very high | 97.3 | Very high | 6 Ų | 6 | 44.5 Ų | 44.5 | 3% | 0.031 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 137.3 | 178.1 | -64.4 | -65.1 | 0 | 0 | 0 | 110.7 | H15 G16 L21 A28 T29 R30 V233 | H15-I19 HydrophobicContact CB-CB 4.3Å; H15-I19 HydrophobicContact CB-CG2 4.23Å; H15-I19 PolarHBondContact CE1-O 2.97Å; H15-I19 PolarHBondContact ND1-O 3.17Å; G16-I19 PolarHBondContact O-N 3.14Å; G16-I19 VanDerWaalsContact O-N 3.08Å; I19-L21 HydrophobicContact CG2-CD2 3.8Å; I19-L21 HydrophobicContact CG2-CG 4.36Å; I19-A28 HydrophobicContact CG2-CB 4.04Å; I19-T29 WeakPolarHBondContact CA-O 3.42Å; I19-R30 HydrophobicContact CD1-CB 4.07Å; I19-V233 HydrophobicContact CD1-CB 3.92Å; I19-V233 HydrophobicContact CD1-CG2 3.96Å |
| 20 | I | 98.6 | Very high | 97.5 | Very high | 101 Ų | 101 | 44 Ų | 44 | 52% | 0.518 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 127.8 | 162.4 | -62 | -171.7 | 0 | 0 | 0 | 108.3 | T29 V31 | I20-T29 PolarHBondContact N-O 2.87Å; I20-T29 PolarHBondContact O-N 3.23Å; I20-V31 HydrophobicContact CB-CG1 4.19Å; I20-V31 HydrophobicContact CD1-CB 4.46Å; I20-V31 HydrophobicContact CD1-CG1 3.55Å; I20-V31 HydrophobicContact CD1-CG2 4.23Å; I20-V31 HydrophobicContact CG1-CG1 3.71Å; I20-V31 HydrophobicContact CG1-CG2 4.16Å |
| 21 | L | 98.6 | Very high | 97.5 | Very high | 38 Ų | 38 | 45.1 Ų | 45.1 | 20% | 0.199 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 147.5 | 172.2 | -58.7 | -175.6 | 0 | 0 | 0 | 111.3 | F11 I19 Q27 A28 | F11-L21 HydrophobicContact CB-CD1 3.86Å; F11-L21 HydrophobicContact CB-CD2 3.76Å; F11-L21 HydrophobicContact CB-CG 4.48Å; F11-L21 HydrophobicContact CD2-CD2 4.07Å; F11-L21 HydrophobicContact CG-CD2 4.12Å; I19-L21 HydrophobicContact CG2-CD2 3.8Å; I19-L21 HydrophobicContact CG2-CG 4.36Å; L21-Q27 VanDerWaalsContact CA-O 3.28Å; L21-Q27 WeakPolarHBondContact CA-O 3.23Å; L21-A28 HydrophobicContact CD2-CB 3.61Å |
| 22 | D | 97.2 | Very high | 97.3 | Very high | 41 Ų | 41 | 51.3 Ų | 51.3 | 22% | 0.219 | 28% | 0.278 | C | S | . | . | trans | -71.9 | 168.4 | 168.7 | 77.5 | 5.1 | 0 | 0 | 0 | 112.1 | S24 G25 T26 Q27 R241 | D22-S24 VanDerWaalsContact CG-OG 3.22Å; D22-S24 PolarHBondContact O-N 2.95Å; D22-S24 VanDerWaalsContact O-N 3.08Å; D22-S24 WeakPolarHBondContact OD1-CA 3.46Å; D22-S24 PolarHBondContact OD1-N 3.33Å; D22-S24 VanDerWaalsContact OD1-N 3.08Å; D22-S24 PolarHBondContact OD1-OG 2.71Å; D22-S24 PolarHBondContact OD2-OG 3.32Å; D22-G25 PolarHBondContact O-N 3.28Å; D22-G25 PolarHBondContact OD1-N 3.03Å; D22-T26 PolarHBondContact OD1-N 3.06Å; D22-Q27 HydrophobicContact CB-CB 3.93Å; D22-Q27 PolarHBondContact N-O 3.49Å; D22-Q27 PolarHBondContact OD1-N 3.36Å; D22-Q27 VanDerWaalsContact OD2-CB 3.25Å; D22-Q27 WeakPolarHBondContact OD2-CB 2.9Å; D22-R241 IonicContact OD2-CZ 3.95Å; D22-R241 IonicContact OD2-NH1 3.08Å; D22-R241 PolarHBondContact OD2-NH1 2.8Å; D22-R241 IonicContact OD2-NH2 3.97Å | ||
| 23 | Q | 93.4 | Very high | 97.1 | Very high | 212 Ų | 212 | 53 Ų | 53 | 99% | 0.991 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -25.3 | -179.1 | -67.3 | 176.5 | 11.8 | 0 | 0 | 113.4 | ||
| 24 | S | 91.8 | Very high | 96.8 | Very high | 56 Ų | 56 | 51.9 Ų | 51.9 | 39% | 0.392 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | -8.3 | 180 | 72.7 | 0 | 0 | 0 | 0 | 113.4 | D22 T26 | D22-S24 VanDerWaalsContact CG-OG 3.22Å; D22-S24 PolarHBondContact O-N 2.95Å; D22-S24 VanDerWaalsContact O-N 3.08Å; D22-S24 WeakPolarHBondContact OD1-CA 3.46Å; D22-S24 PolarHBondContact OD1-N 3.33Å; D22-S24 VanDerWaalsContact OD1-N 3.08Å; D22-S24 PolarHBondContact OD1-OG 2.71Å; D22-S24 PolarHBondContact OD2-OG 3.32Å; S24-T26 PolarHBondContact O-N 3.23Å; S24-T26 PolarHBondContact OG-N 2.72Å; S24-T26 PolarHBondContact OG-OG1 3.12Å |
| 25 | G | 96.3 | Very high | 96.6 | Very high | 8 Ų | 8 | 50 Ų | 50 | 8% | 0.082 | 27% | 0.268 | C | S | . | . | S | Bend | trans | 65.6 | 13.2 | -172.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | E10 F11 D22 | E10-G25 CarbonylContact C-O 3.39Å; E10-G25 WeakPolarHBondContact CA-O 3.25Å; F11-G25 WeakPolarHBondContact CD2-O 3.26Å; F11-G25 PolarHBondContact N-O 2.9Å; D22-G25 PolarHBondContact O-N 3.28Å; D22-G25 PolarHBondContact OD1-N 3.03Å |
| 26 | T | 96.4 | Very high | 96.6 | Very high | 25 Ų | 25 | 49.3 Ų | 49.3 | 15% | 0.153 | 27% | 0.266 | C | S | . | . | trans | -101.4 | -15.6 | -176.4 | 68.3 | 0 | 0 | 0 | 0 | 113.3 | F11 D22 S24 R241 I242 | F11-T26 WeakPolarHBondContact CE2-O 3.34Å; D22-T26 PolarHBondContact OD1-N 3.06Å; S24-T26 PolarHBondContact O-N 3.23Å; S24-T26 PolarHBondContact OG-N 2.72Å; S24-T26 PolarHBondContact OG-OG1 3.12Å; T26-R241 CarbonylContact O-C 3.58Å; T26-R241 VanDerWaalsContact O-CA 3.27Å; T26-R241 WeakPolarHBondContact O-CA 3.45Å; T26-R241 WeakPolarHBondContact O-CG 3.5Å; T26-R241 PolarHBondContact OG1-NH1 3.4Å; T26-I242 PolarHBondContact O-N 3.2Å | ||
| 27 | Q | 98.5 | Very high | 96.5 | Very high | 43 Ų | 43 | 49.3 Ų | 49.3 | 20% | 0.201 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 137.3 | 174.4 | -171.4 | -170 | 63.8 | 0 | 0 | 110 | L21 D22 E56 T239 V240 R241 | L21-Q27 VanDerWaalsContact CA-O 3.28Å; L21-Q27 WeakPolarHBondContact CA-O 3.23Å; D22-Q27 HydrophobicContact CB-CB 3.93Å; D22-Q27 PolarHBondContact N-O 3.49Å; D22-Q27 PolarHBondContact OD1-N 3.36Å; D22-Q27 VanDerWaalsContact OD2-CB 3.25Å; D22-Q27 WeakPolarHBondContact OD2-CB 2.9Å; Q27-E56 PolarHBondContact NE2-OE2 2.91Å; Q27-T239 HydrophobicContact CG-CG2 3.57Å; Q27-V240 WeakPolarHBondContact CA-O 3.5Å; Q27-R241 VanDerWaalsContact CD-NH2 3.35Å |
| 28 | A | 98.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 124.5 | 169.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | F11 I19 L21 T239 V240 | F11-A28 HydrophobicContact CD2-CB 3.91Å; F11-A28 HydrophobicContact CE2-CB 3.74Å; F11-A28 HydrophobicContact CG-CB 4.45Å; F11-A28 HydrophobicContact CZ-CB 4.15Å; I19-A28 HydrophobicContact CG2-CB 4.04Å; L21-A28 HydrophobicContact CD2-CB 3.61Å; A28-T239 WeakPolarHBondContact O-CA 3.19Å; A28-V240 HydrophobicContact CB-CG2 4.06Å; A28-V240 PolarHBondContact N-O 3.1Å; A28-V240 PolarHBondContact O-N 3.02Å |
| 29 | T | 98.7 | Very high | 96.6 | Very high | 31 Ų | 31 | 43.3 Ų | 43.3 | 19% | 0.19 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 123.7 | 179.5 | -57.7 | 0 | 0 | 0 | 0 | 109.4 | I19 I20 V31 T239 | I19-T29 WeakPolarHBondContact CA-O 3.42Å; I20-T29 PolarHBondContact N-O 2.87Å; I20-T29 PolarHBondContact O-N 3.23Å; T29-V31 PolarHBondContact O-N 3.25Å; T29-T239 WeakPolarHBondContact OG1-CG2 3.17Å |
| 30 | R | 98.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 118.3 | 171.1 | -168.9 | -173.4 | 69.1 | -128.5 | -3.1 | 109.5 | N18 I19 E32 S33 F34 E59 V233 F234 A235 T237 K238 | N18-R30 HydrophobicContact CB-CG 3.9Å; N18-R30 CarbonylContact O-C 3.57Å; N18-R30 WeakPolarHBondContact O-CA 3.43Å; I19-R30 HydrophobicContact CD1-CB 4.07Å; R30-E32 WeakPolarHBondContact CD-O 3.29Å; R30-E32 WeakPolarHBondContact CG-O 3.47Å; R30-S33 VanDerWaalsContact CZ-O 3.25Å; R30-S33 PolarHBondContact NE-O 2.61Å; R30-S33 PolarHBondContact NH2-O 3.15Å; R30-F34 PolarHBondContact NH1-O 2.63Å; R30-E59 IonicContact NH2-OE2 3.28Å; R30-E59 PolarHBondContact NH2-OE2 3.25Å; R30-E59 VanDerWaalsContact NH2-OE2 3.08Å; R30-V233 HydrophobicContact CB-CB 4.49Å; R30-V233 HydrophobicContact CB-CG1 3.97Å; R30-V233 WeakPolarHBondContact CD-O 3.15Å; R30-V233 PolarHBondContact NH1-O 2.91Å; R30-F234 VanDerWaalsContact NH1-C 3.26Å; R30-A235 VanDerWaalsContact CZ-O 3.3Å; R30-A235 PolarHBondContact NH1-O 3.3Å; R30-A235 PolarHBondContact NH2-O 2.76Å; R30-T237 PolarHBondContact NH1-O 2.98Å; R30-K238 PolarHBondContact N-O 2.94Å; R30-K238 WeakPolarHBondContact O-CD 3.48Å; R30-K238 WeakPolarHBondContact O-CE 3.47Å; R30-K238 PolarHBondContact O-NZ 2.83Å |
| 31 | V | 97.4 | Very high | 96.6 | Very high | 65 Ų | 65 | 38.3 Ų | 38.3 | 39% | 0.394 | 20% | 0.204 | S | C | . | . | trans | -89 | -31.6 | -175.9 | -68.5 | 0 | 0 | 0 | 0 | 113.9 | N18 I20 T29 K238 | N18-V31 WeakPolarHBondContact O-CG2 3.24Å; N18-V31 PolarHBondContact O-N 2.74Å; I20-V31 HydrophobicContact CB-CG1 4.19Å; I20-V31 HydrophobicContact CD1-CB 4.46Å; I20-V31 HydrophobicContact CD1-CG1 3.55Å; I20-V31 HydrophobicContact CD1-CG2 4.23Å; I20-V31 HydrophobicContact CG1-CG1 3.71Å; I20-V31 HydrophobicContact CG1-CG2 4.16Å; T29-V31 PolarHBondContact O-N 3.25Å; V31-K238 PolarHBondContact O-NZ 3.4Å | ||
| 32 | E | 94.2 | Very high | 96.6 | Very high | 132 Ų | 132 | 40.5 Ų | 40.5 | 62% | 0.617 | 21% | 0.212 | S | C | * | . | S | Bend | trans | -134.8 | 159.4 | -175.5 | -67 | -172.6 | -179.8 | 0 | 0 | 112.9 | N18 R30 | N18-E32 PolarHBondContact ND2-O 3.3Å; N18-E32 VanDerWaalsContact ND2-O 3.15Å; R30-E32 WeakPolarHBondContact CD-O 3.29Å; R30-E32 WeakPolarHBondContact CG-O 3.47Å |
| 33 | S | 93.7 | Very high | 96.6 | Very high | 54 Ų | 54 | 41 Ų | 41 | 38% | 0.378 | 21% | 0.211 | S | C | . | . | S | Bend | trans | 52.8 | -162.5 | 177.4 | -165.7 | 0 | 0 | 0 | 0 | 113.8 | R30 | R30-S33 VanDerWaalsContact CZ-O 3.25Å; R30-S33 PolarHBondContact NE-O 2.61Å; R30-S33 PolarHBondContact NH2-O 3.15Å |
| 34 | F | 92 | Very high | 96.8 | Very high | 65 Ų | 65 | 33.3 Ų | 33.3 | 29% | 0.285 | 18% | 0.179 | S | C | . | . | S | Bend | trans | -110.6 | -6 | 173.4 | 66.1 | -90 | 0 | 0 | 0 | 113.5 | R30 W62 Y84 F234 A235 | R30-F34 PolarHBondContact NH1-O 2.63Å; F34-W62 HydrophobicContact CB-CD2 3.69Å; F34-W62 HydrophobicContact CB-CE3 3.59Å; F34-W62 HydrophobicContact CB-CG 4.27Å; F34-W62 HydrophobicContact CB-CH2 4.21Å; F34-W62 HydrophobicContact CB-CZ2 4.28Å; F34-W62 HydrophobicContact CB-CZ3 3.87Å; F34-W62 AromaticContact CD1-CE3 3.89Å; F34-W62 HydrophobicContact CD1-CE3 3.89Å; F34-W62 AromaticContact CD1-CH2 3.53Å; F34-W62 HydrophobicContact CD1-CH2 3.53Å; F34-W62 HydrophobicContact CD1-CZ2 4.31Å; F34-W62 AromaticContact CD1-CZ3 3.28Å; F34-W62 HydrophobicContact CD1-CZ3 3.28Å; F34-W62 HydrophobicContact CE1-CH2 4.38Å; F34-W62 HydrophobicContact CE1-CZ3 4.07Å; F34-W62 AromaticContact CG-CE3 3.94Å; F34-W62 HydrophobicContact CG-CE3 3.94Å; F34-W62 HydrophobicContact CG-CH2 4.29Å; F34-W62 AromaticContact CG-CZ3 3.83Å; F34-W62 HydrophobicContact CG-CZ3 3.83Å; F34-Y84 HydrophobicContact CE2-CE1 4.02Å; F34-F234 AromaticContact CD2-CE2 3.66Å; F34-F234 HydrophobicContact CD2-CE2 3.66Å; F34-F234 AromaticContact CD2-CZ 3.92Å; F34-F234 HydrophobicContact CD2-CZ 3.92Å; F34-F234 HydrophobicContact CE2-CE2 4.08Å; F34-F234 HydrophobicContact CE2-CZ 4.24Å; F34-F234 WeakPolarHBondContact O-CD2 3.29Å; F34-A235 PolarHBondContact O-N 3.08Å |
| 35 | A | 94.3 | Very high | 97 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.162 | C | C | . | . | trans | -127.8 | -172.2 | -172 | 0 | 0 | 0 | 0 | 0 | 112 | N18 G37 E83 Y84 | N18-A35 PolarHBondContact ND2-O 2.77Å; A35-G37 PolarHBondContact O-N 3.45Å; A35-E83 HydrophobicContact CB-CG 4.02Å; A35-Y84 HydrophobicContact CB-CD1 4.1Å; A35-Y84 HydrophobicContact CB-CE1 3.38Å | ||
| 36 | N | 97.3 | Very high | 97 | Very high | 33 Ų | 33 | 36.3 Ų | 36.3 | 18% | 0.176 | 18% | 0.183 | C | C | . | . | trans | 55.9 | 37.9 | -172.2 | -61 | -78.3 | 0 | 0 | 0 | 112.4 | G16 T17 N18 E83 | G16-N36 CarbonylContact C-O 3.37Å; G16-N36 WeakPolarHBondContact CA-O 3.48Å; T17-N36 VanDerWaalsContact OG1-CB 3.3Å; T17-N36 WeakPolarHBondContact OG1-CB 3.31Å; N18-N36 HydrophobicContact CB-CB 4.04Å; N18-N36 PolarHBondContact N-O 3.43Å; N36-E83 WeakPolarHBondContact CA-O 2.76Å; N36-E83 PolarHBondContact N-O 3.46Å; N36-E83 WeakPolarHBondContact OD1-CA 3.43Å | ||
| 37 | G | 97.9 | Very high | 97 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.201 | C | C | . | . | trans | -102.6 | 8.4 | -172.5 | 0 | 0 | 0 | 0 | 0 | 115 | A35 C39 V233 | A35-G37 PolarHBondContact O-N 3.45Å; G37-C39 PolarHBondContact O-N 3.28Å; G37-V233 PolarHBondContact O-N 3.24Å | ||
| 38 | I | 98.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 129.3 | -172.5 | -52.2 | 178.1 | 0 | 0 | 0 | 110.8 | H15 G16 F40 V81 P82 Y84 L89 V230 V231 D232 | H15-I38 CarbonylContact C-O 3.57Å; H15-I38 WeakPolarHBondContact CA-O 3.46Å; H15-I38 WeakPolarHBondContact CB-O 3.44Å; G16-I38 PolarHBondContact N-O 2.82Å; I38-F40 HydrophobicContact CG2-CE1 4.02Å; I38-F40 HydrophobicContact CG2-CE2 3.9Å; I38-F40 HydrophobicContact CG2-CZ 3.56Å; I38-V81 HydrophobicContact CB-CG1 3.69Å; I38-V81 HydrophobicContact CD1-CG1 4.2Å; I38-V81 HydrophobicContact CG1-CG1 4.43Å; I38-V81 HydrophobicContact CG2-CG1 4.05Å; I38-P82 HydrophobicContact CD1-CB 4.25Å; I38-P82 WeakPolarHBondContact CD1-O 3.24Å; I38-Y84 VanDerWaalsContact CD1-C 3.5Å; I38-L89 HydrophobicContact CG2-CD2 4.46Å; I38-V230 HydrophobicContact CG2-CG1 4Å; I38-V231 CarbonylContact C-O 3.56Å; I38-V231 WeakPolarHBondContact CA-O 3.39Å; I38-D232 HydrophobicContact CG1-CB 4.47Å |
| 39 | C | 98.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 152.6 | 173.8 | -54.7 | 0 | 0 | 0 | 0 | 109.1 | F11 G37 V231 | F11-C39 HydrophobicContact CD1-CB 3.68Å; F11-C39 HydrophobicContact CE1-CB 3.94Å; F11-C39 HydrophobicContact CG-CB 4.45Å; G37-C39 PolarHBondContact O-N 3.28Å; C39-V231 HydrophobicContact CB-CB 4.5Å; C39-V231 PolarHBondContact N-O 2.8Å; C39-V231 PolarHBondContact O-N 2.82Å |
| 40 | F | 98.8 | Very high | 96.6 | Very high | 1 Ų | 1 | 37.1 Ų | 37.1 | 0% | 0.004 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 157.5 | 177.1 | -54.8 | -85.3 | 0 | 0 | 0 | 111.3 | F11 H12 N14 I38 T71 P75 L78 V81 L89 A229 V230 | F11-F40 CarbonylContact C-O 3.53Å; F11-F40 VanDerWaalsContact CA-O 3.29Å; F11-F40 WeakPolarHBondContact CA-O 3.39Å; H12-F40 HydrophobicContact CB-CB 4.08Å; H12-F40 PolarHBondContact N-O 3.07Å; N14-F40 WeakPolarHBondContact O-CD2 3.35Å; I38-F40 HydrophobicContact CG2-CE1 4.02Å; I38-F40 HydrophobicContact CG2-CE2 3.9Å; I38-F40 HydrophobicContact CG2-CZ 3.56Å; F40-T71 HydrophobicContact CD1-CG2 4.03Å; F40-T71 HydrophobicContact CE1-CG2 4.09Å; F40-P75 HydrophobicContact CB-CB 3.9Å; F40-P75 HydrophobicContact CB-CG 3.45Å; F40-P75 VanDerWaalsContact CB-CG 3.45Å; F40-P75 HydrophobicContact CD1-CG 4.14Å; F40-P75 HydrophobicContact CD2-CB 3.99Å; F40-P75 HydrophobicContact CD2-CG 4.27Å; F40-P75 HydrophobicContact CG-CB 3.94Å; F40-P75 HydrophobicContact CG-CG 3.7Å; F40-L78 HydrophobicContact CE1-CD1 4.3Å; F40-L78 HydrophobicContact CE2-CD1 3.99Å; F40-L78 HydrophobicContact CZ-CD1 3.64Å; F40-V81 HydrophobicContact CE2-CG1 3.91Å; F40-V81 HydrophobicContact CE2-CG2 3.98Å; F40-V81 HydrophobicContact CZ-CG1 4.25Å; F40-L89 HydrophobicContact CE1-CD2 4.11Å; F40-L89 HydrophobicContact CZ-CD2 4.46Å; F40-A229 CarbonylContact C-O 3.58Å; F40-A229 WeakPolarHBondContact CA-O 3.35Å; F40-V230 HydrophobicContact CD1-CG2 3.94Å; F40-V230 HydrophobicContact CE1-CG1 4.37Å; F40-V230 HydrophobicContact CE1-CG2 3.99Å |
| 41 | S | 98.6 | Very high | 96.6 | Very high | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.007 | 19% | 0.192 | C | C | . | . | B | Isolated β-bridge | trans | -63.2 | 140.3 | 163 | 61 | 0 | 0 | 0 | 0 | 109.8 | R43 F51 Y228 A229 | S41-R43 WeakPolarHBondContact CB-O 3.17Å; S41-R43 PolarHBondContact O-N 3.17Å; S41-R43 PolarHBondContact OG-O 3.14Å; S41-F51 VanDerWaalsContact CB-CE2 3.43Å; S41-Y228 WeakPolarHBondContact O-CD1 3.49Å; S41-Y228 WeakPolarHBondContact OG-CA 3.32Å; S41-A229 PolarHBondContact N-O 2.95Å; S41-A229 PolarHBondContact OG-N 2.85Å |
| 42 | K | 97.6 | Very high | 96.6 | Very high | 84 Ų | 84 | 34 Ų | 34 | 37% | 0.365 | 17% | 0.173 | S | C | . | . | S | Bend | trans | -62.2 | -30.8 | 178.7 | -173.7 | 176.3 | 179.9 | -178.4 | 0 | 112.8 | E10 | E10-K42 HydrophobicContact CB-CB 4Å; E10-K42 HydrophobicContact CB-CD 3.72Å; E10-K42 HydrophobicContact CG-CD 4.32Å; E10-K42 WeakPolarHBondContact O-CB 3.21Å; E10-K42 PolarHBondContact O-N 2.84Å; E10-K42 IonicContact OE1-NZ 2.99Å; E10-K42 PolarHBondContact OE1-NZ 2.9Å; E10-K42 IonicContact OE2-NZ 3.78Å; E10-K42 PolarHBondContact OE2-NZ 2.93Å |
| 43 | R | 96.8 | Very high | 96.8 | Very high | 51 Ų | 51 | 27.8 Ų | 27.8 | 19% | 0.192 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -126 | 153.3 | -177.1 | -42.5 | -172.4 | -64.3 | 119.6 | 7.1 | 108.7 | D6 S41 E49 | D6-R43 PolarHBondContact O-NH1 2.92Å; D6-R43 PolarHBondContact O-NH2 2.89Å; S41-R43 WeakPolarHBondContact CB-O 3.17Å; S41-R43 PolarHBondContact O-N 3.17Å; S41-R43 PolarHBondContact OG-O 3.14Å; R43-E49 IonicContact NH2-OE1 2.72Å |
| 44 | P | 97.7 | Very high | 96.9 | Very high | 50 Ų | 50 | 26.5 Ų | 26.5 | 33% | 0.325 | 13% | 0.132 | S | C | . | . | P | Polyproline II helix | trans | -64.1 | 143.5 | 170.3 | 28 | -33.5 | 0 | 0 | 0 | 110 | P226 L227 Y228 | P44-P226 HydrophobicContact CB-CB 3.59Å; P44-P226 HydrophobicContact CG-CB 4.03Å; P44-L227 CarbonylContact C-O 3.53Å; P44-L227 VanDerWaalsContact CA-O 3.25Å; P44-L227 WeakPolarHBondContact CA-O 3.29Å; P44-Y228 HydrophobicContact CB-CD1 4.48Å; P44-Y228 HydrophobicContact CB-CD2 4.42Å; P44-Y228 HydrophobicContact CB-CE1 4.23Å; P44-Y228 HydrophobicContact CB-CE2 4.12Å; P44-Y228 HydrophobicContact CG-CE1 4.46Å |
| 45 | L | 97.3 | Very high | 97.1 | Very high | 4 Ų | 4 | 23.4 Ų | 23.4 | 2% | 0.021 | 12% | 0.118 | C | C | . | . | P | Polyproline II helix | trans | -73.8 | 142.2 | 178 | -55.6 | -175.1 | 0 | 0 | 0 | 110.2 | L9 F51 L70 Y195 L227 A229 | L9-L45 HydrophobicContact CD2-CD2 4.19Å; L45-F51 HydrophobicContact CD1-CB 3.9Å; L45-F51 HydrophobicContact CD2-CB 3.94Å; L45-F51 HydrophobicContact CD2-CD2 3.98Å; L45-F51 HydrophobicContact CD2-CG 4.41Å; L45-L70 HydrophobicContact CD1-CD2 3.75Å; L45-Y195 HydrophobicContact CB-CE1 3.93Å; L45-Y195 WeakPolarHBondContact O-CE1 3.17Å; L45-Y195 PolarHBondContact O-OH 2.89Å; L45-L227 PolarHBondContact N-O 3.04Å; L45-A229 HydrophobicContact CD1-CB 4.1Å; L45-A229 HydrophobicContact CD2-CB 4.47Å; L45-A229 HydrophobicContact CG-CB 4.46Å |
| 46 | K | 95.9 | Very high | 97.1 | Very high | 124 Ų | 124 | 25.7 Ų | 25.7 | 54% | 0.539 | 13% | 0.129 | S | C | . | . | P | Polyproline II helix | trans | -75.7 | 156.3 | 168.1 | -63.8 | 173 | -176.7 | 175.3 | 0 | 110.3 | G48 E49 | K46-G48 PolarHBondContact O-N 2.81Å; K46-E49 HydrophobicContact CB-CB 4.04Å; K46-E49 WeakPolarHBondContact CB-OE2 3.01Å; K46-E49 PolarHBondContact N-OE2 2.85Å; K46-E49 VanDerWaalsContact O-CB 3.24Å; K46-E49 WeakPolarHBondContact O-CB 3.37Å; K46-E49 PolarHBondContact O-N 2.89Å |
| 47 | P | 95.9 | Very high | 97 | Very high | 81 Ų | 81 | 29.1 Ų | 29.1 | 53% | 0.526 | 14% | 0.144 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | 127.3 | 172.5 | -26.4 | 35.1 | 0 | 0 | 0 | 111.9 | E49 Y195 P197 | P47-E49 VanDerWaalsContact C-N 3.25Å; P47-E49 PolarHBondContact O-N 2.97Å; P47-Y195 HydrophobicContact CB-CE2 3.97Å; P47-Y195 VanDerWaalsContact CD-OH 3.25Å; P47-Y195 WeakPolarHBondContact CD-OH 3.22Å; P47-Y195 HydrophobicContact CG-CE2 3.85Å; P47-Y195 VanDerWaalsContact N-OH 3.17Å; P47-P197 HydrophobicContact CB-CG 3.57Å; P47-P197 HydrophobicContact CG-CG 4.19Å |
| 48 | G | 95.1 | Very high | 96.8 | Very high | 6 Ų | 6 | 32.9 Ų | 32.9 | 6% | 0.062 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 76 | -1.2 | -176.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | K46 I50 V153 Y195 | K46-G48 PolarHBondContact O-N 2.81Å; G48-I50 PolarHBondContact O-N 3.05Å; G48-V153 WeakPolarHBondContact O-CG1 3.42Å; G48-Y195 PolarHBondContact N-O 2.91Å |
| 49 | E | 95.6 | Very high | 96.5 | Very high | 28 Ų | 28 | 35.5 Ų | 35.5 | 13% | 0.131 | 17% | 0.173 | C | C | . | . | trans | -79.8 | 114.3 | 175.2 | -174.6 | 176.4 | -152.2 | 0 | 0 | 110.4 | R43 K46 P47 | R43-E49 IonicContact NH2-OE1 2.72Å; K46-E49 HydrophobicContact CB-CB 4.04Å; K46-E49 WeakPolarHBondContact CB-OE2 3.01Å; K46-E49 PolarHBondContact N-OE2 2.85Å; K46-E49 VanDerWaalsContact O-CB 3.24Å; K46-E49 WeakPolarHBondContact O-CB 3.37Å; K46-E49 PolarHBondContact O-N 2.89Å; P47-E49 VanDerWaalsContact C-N 3.25Å; P47-E49 PolarHBondContact O-N 2.97Å | ||
| 50 | I | 97.2 | Very high | 96 | Very high | 1 Ų | 1 | 43.3 Ų | 43.3 | 1% | 0.005 | 21% | 0.213 | C | C | . | . | trans | -76.7 | 125.8 | 173.6 | -158.4 | 174.6 | 0 | 0 | 0 | 112.2 | L9 G48 L52 I155 L160 V193 L194 V208 V245 Y247 | L9-I50 WeakPolarHBondContact CD1-O 3.5Å; G48-I50 PolarHBondContact O-N 3.05Å; I50-L52 HydrophobicContact CD1-CD1 4.22Å; I50-L52 HydrophobicContact CG1-CB 4.49Å; I50-L52 HydrophobicContact CG2-CB 4.32Å; I50-I155 HydrophobicContact CB-CD1 4.38Å; I50-I155 HydrophobicContact CD1-CD1 4.28Å; I50-I155 HydrophobicContact CG2-CG2 4.2Å; I50-L160 HydrophobicContact CD1-CD2 4Å; I50-V193 WeakPolarHBondContact CA-O 3.03Å; I50-L194 HydrophobicContact CB-CB 4.35Å; I50-L194 HydrophobicContact CD1-CD2 4.31Å; I50-L194 HydrophobicContact CG1-CB 4.46Å; I50-L194 HydrophobicContact CG1-CD2 4.15Å; I50-V208 HydrophobicContact CD1-CB 3.93Å; I50-V208 HydrophobicContact CD1-CG1 4.39Å; I50-V208 HydrophobicContact CD1-CG2 3.9Å; I50-V245 HydrophobicContact CG2-CB 4.09Å; I50-V245 HydrophobicContact CG2-CG1 4.29Å; I50-V245 HydrophobicContact CG2-CG2 3.72Å; I50-Y247 WeakPolarHBondContact CG2-OH 3.49Å; I50-Y247 PolarHBondContact N-OH 2.78Å | ||
| 51 | F | 98.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 99.8 | 162.4 | -166.4 | -89.7 | 0 | 0 | 0 | 108.6 | L9 F11 S41 L45 I53 G192 V193 A229 V231 I242 | L9-F51 HydrophobicContact CB-CD2 4.29Å; L9-F51 HydrophobicContact CB-CE2 4.16Å; L9-F51 HydrophobicContact CD1-CD2 3.89Å; L9-F51 HydrophobicContact CD2-CD2 4.15Å; L9-F51 HydrophobicContact CG-CD2 4.35Å; F11-F51 HydrophobicContact CD1-CE1 4.42Å; F11-F51 AromaticContact CD1-CZ 3.95Å; F11-F51 HydrophobicContact CD1-CZ 3.95Å; F11-F51 AromaticContact CE1-CE1 3.8Å; F11-F51 HydrophobicContact CE1-CE1 3.8Å; F11-F51 AromaticContact CE1-CZ 3.75Å; F11-F51 HydrophobicContact CE1-CZ 3.75Å; F11-F51 HydrophobicContact CZ-CE1 4.4Å; F11-F51 HydrophobicContact CZ-CZ 4.44Å; S41-F51 VanDerWaalsContact CB-CE2 3.43Å; L45-F51 HydrophobicContact CD1-CB 3.9Å; L45-F51 HydrophobicContact CD2-CB 3.94Å; L45-F51 HydrophobicContact CD2-CD2 3.98Å; L45-F51 HydrophobicContact CD2-CG 4.41Å; F51-I53 HydrophobicContact CD1-CG2 4.22Å; F51-I53 HydrophobicContact CE1-CG2 3.84Å; F51-G192 WeakPolarHBondContact O-CA 3.42Å; F51-V193 HydrophobicContact CB-CG1 4.17Å; F51-V193 PolarHBondContact N-O 2.85Å; F51-V193 PolarHBondContact O-N 3.06Å; F51-V193 VanDerWaalsContact O-N 3.08Å; F51-A229 HydrophobicContact CB-CB 3.54Å; F51-A229 HydrophobicContact CD1-CB 3.54Å; F51-A229 HydrophobicContact CD2-CB 3.79Å; F51-A229 HydrophobicContact CE1-CB 4.14Å; F51-A229 HydrophobicContact CE2-CB 4.36Å; F51-A229 HydrophobicContact CG-CB 3.33Å; F51-V231 HydrophobicContact CD1-CG2 4.26Å; F51-V231 HydrophobicContact CE1-CG2 3.89Å; F51-I242 HydrophobicContact CE1-CD1 4.33Å; F51-I242 HydrophobicContact CE1-CG1 4.16Å; F51-I242 HydrophobicContact CE2-CD1 3.81Å; F51-I242 HydrophobicContact CE2-CG1 4.36Å; F51-I242 HydrophobicContact CZ-CD1 3.42Å; F51-I242 VanDerWaalsContact CZ-CD1 3.42Å; F51-I242 HydrophobicContact CZ-CG1 3.72Å |
| 52 | L | 97.7 | Very high | 95 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 129.7 | -172.8 | -174.3 | 68.3 | 0 | 0 | 0 | 111.1 | I50 K159 L160 R190 I242 V243 V245 | I50-L52 HydrophobicContact CD1-CD1 4.22Å; I50-L52 HydrophobicContact CG1-CB 4.49Å; I50-L52 HydrophobicContact CG2-CB 4.32Å; L52-K159 HydrophobicContact CD2-CB 4.48Å; L52-K159 VanDerWaalsContact CD2-O 3.28Å; L52-K159 WeakPolarHBondContact CD2-O 3.37Å; L52-L160 HydrophobicContact CD1-CD2 4.36Å; L52-L160 HydrophobicContact CD2-CD2 3.81Å; L52-R190 HydrophobicContact CD1-CB 4.1Å; L52-I242 CarbonylContact O-C 3.54Å; L52-I242 WeakPolarHBondContact O-CA 3.44Å; L52-V243 HydrophobicContact CB-CB 4.41Å; L52-V243 HydrophobicContact CD2-CB 3.85Å; L52-V243 HydrophobicContact CD2-CG1 3.89Å; L52-V243 HydrophobicContact CG-CB 4.05Å; L52-V243 PolarHBondContact O-N 2.93Å; L52-V245 HydrophobicContact CB-CG2 4.15Å; L52-V245 HydrophobicContact CD2-CG2 3.7Å |
| 53 | I | 97.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 151.5 | 174.2 | 57.8 | 154.6 | 0 | 0 | 0 | 111.9 | F11 F51 L66 I68 R190 I191 V231 V240 R241 I242 | F11-I53 HydrophobicContact CZ-CG2 4.05Å; F51-I53 HydrophobicContact CD1-CG2 4.22Å; F51-I53 HydrophobicContact CE1-CG2 3.84Å; I53-L66 HydrophobicContact CD1-CD1 4.24Å; I53-L66 HydrophobicContact CD1-CD2 3.72Å; I53-I68 HydrophobicContact CG1-CD1 4.36Å; I53-R190 CarbonylContact O-C 3.51Å; I53-R190 WeakPolarHBondContact O-CA 3.11Å; I53-I191 HydrophobicContact CG1-CB 4.36Å; I53-I191 WeakPolarHBondContact CG1-O 3.24Å; I53-I191 PolarHBondContact N-O 2.81Å; I53-I191 PolarHBondContact O-N 3.08Å; I53-V231 HydrophobicContact CD1-CG1 3.67Å; I53-V231 HydrophobicContact CD1-CG2 4.29Å; I53-V231 HydrophobicContact CG2-CG2 4.25Å; I53-V240 HydrophobicContact CB-CB 4.48Å; I53-V240 HydrophobicContact CD1-CB 4.08Å; I53-V240 HydrophobicContact CD1-CG1 3.9Å; I53-R241 CarbonylContact C-O 3.35Å; I53-R241 VanDerWaalsContact CA-O 3.25Å; I53-R241 WeakPolarHBondContact CA-O 3.36Å; I53-I242 HydrophobicContact CG2-CG1 4.31Å |
| 54 | E | 96 | Very high | 93.9 | Very high | 27 Ų | 27 | 52.5 Ų | 52.5 | 13% | 0.126 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 135.1 | 168.7 | -175.3 | 170.5 | 128.9 | 0 | 0 | 109.6 | E56 S189 R190 V240 R241 V243 | E54-E56 PolarHBondContact O-N 3.44Å; E54-S189 WeakPolarHBondContact CA-O 3.49Å; E54-R190 HydrophobicContact CB-CG 4.05Å; E54-R190 HydrophobicContact CG-CG 4.17Å; E54-R190 IonicContact OE2-CZ 3.77Å; E54-R190 IonicContact OE2-NE 2.56Å; E54-R190 PolarHBondContact OE2-NE 3.23Å; E54-R190 IonicContact OE2-NH2 2.72Å; E54-R190 PolarHBondContact OE2-NH2 2.87Å; E54-V240 CarbonylContact O-C 3.52Å; E54-V240 VanDerWaalsContact O-CA 3.28Å; E54-V240 WeakPolarHBondContact O-CA 3.36Å; E54-R241 PolarHBondContact N-O 2.73Å; E54-R241 PolarHBondContact O-N 3.37Å; E54-V243 HydrophobicContact CB-CG2 3.75Å |
| 55 | I | 95.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 108.6 | 172 | -60.7 | 174.4 | 0 | 0 | 0 | 108.9 | K58 L66 R188 S189 I191 T237 | I55-K58 HydrophobicContact CG2-CG 4.05Å; I55-L66 HydrophobicContact CD1-CD2 4.31Å; I55-L66 HydrophobicContact CG1-CD2 4.38Å; I55-R188 WeakPolarHBondContact O-CA 3.03Å; I55-R188 PolarHBondContact O-N 2.87Å; I55-S189 PolarHBondContact N-O 3.44Å; I55-I191 HydrophobicContact CD1-CD1 3.7Å; I55-I191 HydrophobicContact CG1-CD1 3.87Å; I55-T237 HydrophobicContact CG2-CG2 4.26Å |
| 56 | E | 94.6 | Very high | 93.2 | Very high | 48 Ų | 48 | 53 Ų | 53 | 22% | 0.224 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | -37 | -178.5 | -65.3 | -158.8 | 135.9 | 0 | 0 | 112.8 | Q27 E54 R187 T239 R241 | Q27-E56 PolarHBondContact NE2-OE2 2.91Å; E54-E56 PolarHBondContact O-N 3.44Å; E56-R187 WeakPolarHBondContact O-CG 3.49Å; E56-R187 PolarHBondContact O-NE 3.22Å; E56-T239 HydrophobicContact CB-CG2 4.08Å; E56-T239 PolarHBondContact N-O 3.29Å; E56-R241 HydrophobicContact CG-CB 3.84Å; E56-R241 WeakPolarHBondContact OE1-CD 3.35Å; E56-R241 IonicContact OE1-CZ 3.98Å; E56-R241 IonicContact OE1-NE 3.79Å; E56-R241 PolarHBondContact OE1-NE 2.87Å; E56-R241 IonicContact OE1-NH2 3.65Å; E56-R241 IonicContact OE2-CZ 3.57Å; E56-R241 IonicContact OE2-NE 2.7Å; E56-R241 PolarHBondContact OE2-NE 3.48Å; E56-R241 IonicContact OE2-NH2 3.92Å; E56-R241 PolarHBondContact OE2-NH2 2.71Å |
| 57 | E | 94.6 | Very high | 93.3 | Very high | 105 Ų | 105 | 48.8 Ų | 48.8 | 49% | 0.491 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 147.8 | -174.6 | -167.8 | 175.4 | -177.2 | 0 | 0 | 111.8 | K238 T239 | E57-K238 HydrophobicContact CB-CB 4.04Å; E57-K238 HydrophobicContact CB-CG 4.43Å; E57-K238 HydrophobicContact CG-CB 3.99Å; E57-K238 HydrophobicContact CG-CG 4.14Å; E57-K238 PolarHBondContact O-N 3.21Å; E57-T239 PolarHBondContact N-O 3.04Å; E57-T239 PolarHBondContact O-N 2.73Å; E57-T239 PolarHBondContact OE2-OG1 3.33Å |
| 58 | K | 93.4 | Very high | 93.4 | Very high | 80 Ų | 80 | 44.9 Ų | 44.9 | 35% | 0.348 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 145.4 | 175.4 | -62.6 | -167.2 | 67.2 | 165.4 | 0 | 109.9 | I55 T185 A236 | I55-K58 HydrophobicContact CG2-CG 4.05Å; K58-T185 WeakPolarHBondContact CD-O 3.41Å; K58-T185 WeakPolarHBondContact CE-O 3.47Å; K58-T185 PolarHBondContact NZ-O 3.21Å; K58-A236 CarbonylContact C-O 3.52Å; K58-A236 WeakPolarHBondContact CA-O 3.44Å; K58-A236 VanDerWaalsContact CB-O 3.3Å; K58-A236 WeakPolarHBondContact CB-O 3.4Å |
| 59 | E | 92.4 | Very high | 93.6 | Very high | 55 Ų | 55 | 44.6 Ų | 44.6 | 26% | 0.257 | 25% | 0.248 | S | C | . | . | trans | -101.9 | 129.4 | 176.5 | -164.9 | 174.6 | 157.7 | 0 | 0 | 109.7 | R30 W62 A236 K238 | R30-E59 IonicContact NH2-OE2 3.28Å; R30-E59 PolarHBondContact NH2-OE2 3.25Å; R30-E59 VanDerWaalsContact NH2-OE2 3.08Å; E59-W62 PolarHBondContact OE1-NE1 3.33Å; E59-A236 PolarHBondContact N-O 2.73Å; E59-K238 HydrophobicContact CB-CB 4.22Å; E59-K238 HydrophobicContact CB-CD 4.28Å; E59-K238 VanDerWaalsContact OE2-CD 3.28Å; E59-K238 WeakPolarHBondContact OE2-CD 3.3Å; E59-K238 WeakPolarHBondContact OE2-CE 3.25Å; E59-K238 IonicContact OE2-NZ 2.81Å; E59-K238 PolarHBondContact OE2-NZ 2.76Å | ||
| 60 | L | 89.4 | Confident | 93.7 | Very high | 164 Ų | 164 | 43.3 Ų | 43.3 | 86% | 0.859 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.3 | 151.6 | 177 | -61.1 | 177.4 | 0 | 0 | 0 | 110.3 | W62 | L60-W62 VanDerWaalsContact C-N 3.35Š|
| 61 | G | 87.7 | Confident | 93.8 | Very high | 81 Ų | 81 | 43.2 Ų | 43.2 | 84% | 0.835 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 91.4 | -13.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 62 | W | 89.3 | Confident | 93.7 | Very high | 95 Ų | 95 | 44 Ų | 44 | 36% | 0.36 | 25% | 0.248 | S | C | . | . | trans | -98.5 | 140.4 | 173.1 | -62.1 | 111.3 | 0 | 0 | 0 | 112.2 | F34 E59 L60 A235 | F34-W62 HydrophobicContact CB-CD2 3.69Å; F34-W62 HydrophobicContact CB-CE3 3.59Å; F34-W62 HydrophobicContact CB-CG 4.27Å; F34-W62 HydrophobicContact CB-CH2 4.21Å; F34-W62 HydrophobicContact CB-CZ2 4.28Å; F34-W62 HydrophobicContact CB-CZ3 3.87Å; F34-W62 AromaticContact CD1-CE3 3.89Å; F34-W62 HydrophobicContact CD1-CE3 3.89Å; F34-W62 AromaticContact CD1-CH2 3.53Å; F34-W62 HydrophobicContact CD1-CH2 3.53Å; F34-W62 HydrophobicContact CD1-CZ2 4.31Å; F34-W62 AromaticContact CD1-CZ3 3.28Å; F34-W62 HydrophobicContact CD1-CZ3 3.28Å; F34-W62 HydrophobicContact CE1-CH2 4.38Å; F34-W62 HydrophobicContact CE1-CZ3 4.07Å; F34-W62 AromaticContact CG-CE3 3.94Å; F34-W62 HydrophobicContact CG-CE3 3.94Å; F34-W62 HydrophobicContact CG-CH2 4.29Å; F34-W62 AromaticContact CG-CZ3 3.83Å; F34-W62 HydrophobicContact CG-CZ3 3.83Å; E59-W62 PolarHBondContact OE1-NE1 3.33Å; L60-W62 VanDerWaalsContact C-N 3.35Å; W62-A235 HydrophobicContact CB-CB 4.33Å | ||
| 63 | C | 84.3 | Confident | 93.7 | Very high | 126 Ų | 126 | 48.4 Ų | 48.4 | 85% | 0.851 | 26% | 0.264 | S | S | * | . | trans | -112.3 | 129.2 | 172.5 | -66.7 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 64 | G | 86.4 | Confident | 93.6 | Very high | 28 Ų | 28 | 51.5 Ų | 51.5 | 29% | 0.289 | 28% | 0.281 | S | S | . | . | trans | 147.7 | 176.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 65 | H | 86 | Confident | 93.7 | Very high | 63 Ų | 63 | 50.2 Ų | 50.2 | 29% | 0.292 | 28% | 0.275 | S | S | . | . | trans | -127.5 | 141.4 | -167.6 | -65.6 | -70.2 | 0 | 0 | 0 | 111 | A99 I100 F234 | H65-A99 HydrophobicContact CB-CB 4.4Å; H65-I100 VanDerWaalsContact CB-O 3.24Å; H65-I100 WeakPolarHBondContact CB-O 3.36Å; H65-I100 VanDerWaalsContact CG-O 3.25Å; H65-I100 PolarHBondContact ND1-O 2.99Å; H65-F234 WeakPolarHBondContact O-CD1 3.4Å | ||
| 66 | L | 94.6 | Very high | 93.7 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 31% | 0.308 | C | S | . | . | trans | -48.4 | 141.9 | 163.9 | 177.1 | 75.5 | 0 | 0 | 0 | 109.5 | I53 I55 I100 I191 V231 D232 T237 V240 | I53-L66 HydrophobicContact CD1-CD1 4.24Å; I53-L66 HydrophobicContact CD1-CD2 3.72Å; I55-L66 HydrophobicContact CD1-CD2 4.31Å; I55-L66 HydrophobicContact CG1-CD2 4.38Å; L66-I100 PolarHBondContact O-N 3.15Å; L66-I191 HydrophobicContact CD2-CB 4.36Å; L66-I191 HydrophobicContact CD2-CD1 3.88Å; L66-I191 HydrophobicContact CD2-CG1 4.16Å; L66-V231 HydrophobicContact CD1-CG1 3.96Å; L66-D232 WeakPolarHBondContact CD1-O 3.3Å; L66-T237 HydrophobicContact CD1-CG2 4.1Å; L66-V240 HydrophobicContact CD1-CG1 4.21Å | ||
| 67 | R | 97.1 | Very high | 93.7 | Very high | 36 Ų | 36 | 58.5 Ų | 58.5 | 14% | 0.136 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 143.5 | 173.3 | -43.9 | 163.8 | 174.3 | 173.9 | -10.2 | 109.6 | S85 I86 V97 F98 A99 D232 | R67-S85 WeakPolarHBondContact CD-OG 3.42Å; R67-I86 PolarHBondContact NH1-O 3.13Å; R67-V97 HydrophobicContact CB-CG1 3.78Å; R67-F98 CarbonylContact C-O 3.56Å; R67-F98 VanDerWaalsContact CA-O 3.22Å; R67-F98 WeakPolarHBondContact CA-O 3.23Å; R67-A99 HydrophobicContact CG-CB 4.13Å; R67-D232 HydrophobicContact CB-CB 3.93Å; R67-D232 HydrophobicContact CG-CB 4.45Å; R67-D232 PolarHBondContact N-O 3.38Å; R67-D232 IonicContact NH1-OD2 2.82Å; R67-D232 PolarHBondContact O-N 3.47Å |
| 68 | I | 98.2 | Very high | 93.6 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 151.7 | -179 | -160.8 | 172.4 | 0 | 0 | 0 | 109.9 | I53 F98 I100 I191 V193 I207 V230 V231 | I53-I68 HydrophobicContact CG1-CD1 4.36Å; I68-F98 PolarHBondContact N-O 2.79Å; I68-F98 PolarHBondContact O-N 2.6Å; I68-I100 HydrophobicContact CG2-CD1 3.78Å; I68-I100 HydrophobicContact CG2-CG1 4.22Å; I68-I191 HydrophobicContact CB-CG2 4.46Å; I68-I191 HydrophobicContact CD1-CG2 3.9Å; I68-I191 HydrophobicContact CG2-CG2 3.85Å; I68-V193 HydrophobicContact CD1-CB 4.05Å; I68-V193 HydrophobicContact CD1-CG1 3.96Å; I68-V193 HydrophobicContact CG1-CB 4.06Å; I68-V193 HydrophobicContact CG1-CG1 3.92Å; I68-I207 HydrophobicContact CG2-CD1 3.99Å; I68-I207 HydrophobicContact CG2-CG1 4.28Å; I68-I207 HydrophobicContact CG2-CG2 4.3Å; I68-V230 CarbonylContact C-O 3.48Å; I68-V230 VanDerWaalsContact CA-O 3.29Å; I68-V230 WeakPolarHBondContact CA-O 3.43Å; I68-V230 VanDerWaalsContact CG1-O 3.32Å; I68-V230 WeakPolarHBondContact CG1-O 3.25Å; I68-V231 HydrophobicContact CD1-CG2 4.38Å; I68-V231 HydrophobicContact CG1-CG2 4.19Å |
| 69 | G | 98.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -179.4 | -164.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | W96 V230 | G69-W96 CarbonylContact C-O 3.51Å; G69-W96 WeakPolarHBondContact CA-O 3.09Å; G69-V230 PolarHBondContact N-O 3.18Å; G69-V230 PolarHBondContact O-N 3.28Å |
| 70 | L | 98.7 | Very high | 93.7 | Very high | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 155.5 | 173.1 | -62.4 | 176.8 | 0 | 0 | 0 | 110.8 | L45 S95 W96 V193 Y195 M205 I221 L227 Y228 | L45-L70 HydrophobicContact CD1-CD2 3.75Å; L70-S95 WeakPolarHBondContact O-CA 3.23Å; L70-W96 HydrophobicContact CB-CE3 4.48Å; L70-W96 PolarHBondContact N-O 2.91Å; L70-W96 PolarHBondContact O-N 3.37Å; L70-V193 HydrophobicContact CD1-CG2 4.43Å; L70-V193 HydrophobicContact CD2-CG1 4.09Å; L70-V193 HydrophobicContact CD2-CG2 3.92Å; L70-V193 HydrophobicContact CG-CG2 3.79Å; L70-Y195 HydrophobicContact CD1-CD1 3.98Å; L70-Y195 HydrophobicContact CD1-CG 4.28Å; L70-M205 HydrophobicContact CB-SD 3.81Å; L70-M205 HydrophobicContact CD1-CB 4.13Å; L70-M205 HydrophobicContact CD1-CG 3.6Å; L70-M205 HydrophobicContact CD1-SD 3.84Å; L70-M205 HydrophobicContact CG-CG 3.92Å; L70-M205 HydrophobicContact CG-SD 3.56Å; L70-M205 VanDerWaalsContact CG-SD 3.56Å; L70-I221 HydrophobicContact CD1-CD1 3.88Å; L70-L227 HydrophobicContact CD1-CD1 4.37Å; L70-Y228 CarbonylContact C-O 3.57Å; L70-Y228 VanDerWaalsContact CA-O 3.25Å; L70-Y228 WeakPolarHBondContact CA-O 3.21Å |
| 71 | T | 98.4 | Very high | 94.1 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 145.5 | 170.1 | -172.9 | 0 | 0 | 0 | 0 | 110.7 | F40 W73 D94 S95 L227 Y228 V230 | F40-T71 HydrophobicContact CD1-CG2 4.03Å; F40-T71 HydrophobicContact CE1-CG2 4.09Å; T71-W73 VanDerWaalsContact C-N 3.33Å; T71-W73 HydrophobicContact CG2-CB 4.45Å; T71-W73 PolarHBondContact OG1-N 2.97Å; T71-D94 CarbonylContact C-O 3.57Å; T71-D94 WeakPolarHBondContact CA-O 3.23Å; T71-D94 PolarHBondContact OG1-O 3.34Å; T71-S95 WeakPolarHBondContact CB-OG 3.3Å; T71-S95 PolarHBondContact OG1-OG 2.86Å; T71-L227 CarbonylContact O-C 3.5Å; T71-L227 WeakPolarHBondContact O-CA 3.46Å; T71-Y228 PolarHBondContact N-O 3.49Å; T71-Y228 PolarHBondContact O-N 2.58Å; T71-V230 HydrophobicContact CG2-CG2 3.48Å; T71-V230 VanDerWaalsContact CG2-CG2 3.48Å |
| 72 | A | 97.5 | Very high | 94.5 | Very high | 16 Ų | 16 | 48 Ų | 48 | 13% | 0.132 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -90.6 | 2.8 | 169.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | D94 R225 L227 | A72-D94 HydrophobicContact CB-CB 3.99Å; A72-D94 PolarHBondContact N-O 3.03Å; A72-R225 HydrophobicContact CB-CB 4.43Å; A72-L227 HydrophobicContact CB-CD2 3.9Å |
| 73 | W | 96.9 | Very high | 94.8 | Very high | 92 Ų | 92 | 47.3 Ų | 47.3 | 35% | 0.348 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -76 | 130.9 | 171.4 | -73.9 | 93.9 | 0 | 0 | 0 | 110.5 | T71 P75 L78 L92 G93 Y228 | T71-W73 VanDerWaalsContact C-N 3.33Å; T71-W73 HydrophobicContact CG2-CB 4.45Å; T71-W73 PolarHBondContact OG1-N 2.97Å; W73-P75 VanDerWaalsContact O-CD 3.29Å; W73-P75 WeakPolarHBondContact O-CD 3.31Å; W73-L78 HydrophobicContact CD2-CD2 4.49Å; W73-L78 HydrophobicContact CE3-CD2 4.27Å; W73-L92 HydrophobicContact CZ2-CB 4.37Å; W73-G93 PolarHBondContact NE1-O 3.19Å; W73-Y228 WeakPolarHBondContact O-CD2 3.42Å |
| 74 | D | 96.9 | Very high | 95.4 | Very high | 65 Ų | 65 | 43.6 Ų | 43.6 | 35% | 0.348 | 24% | 0.244 | S | C | . | . | trans | -70.5 | 118.6 | 169.9 | -178.9 | -6.8 | 0 | 0 | 0 | 108.9 | H76 S77 Y228 | D74-H76 PolarHBondContact O-N 3.17Å; D74-H76 VanDerWaalsContact O-N 3.08Å; D74-H76 WeakPolarHBondContact OD1-CB 3.16Å; D74-H76 PolarHBondContact OD1-N 2.56Å; D74-S77 WeakPolarHBondContact O-CB 3.21Å; D74-S77 PolarHBondContact O-N 2.94Å; D74-S77 PolarHBondContact O-OG 3.42Å; D74-Y228 HydrophobicContact CB-CE2 4.4Å; D74-Y228 PolarHBondContact OD1-OH 3.47Å | ||
| 75 | P | 96.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | -27.1 | 177.8 | -26.7 | 36.8 | 0 | 0 | 0 | 113.4 | H12 N14 F40 W73 S77 Y228 | H12-P75 HydrophobicContact CB-CB 4.15Å; H12-P75 WeakPolarHBondContact ND1-CB 3.48Å; N14-P75 PolarHBondContact ND2-O 3.38Å; F40-P75 HydrophobicContact CB-CB 3.9Å; F40-P75 HydrophobicContact CB-CG 3.45Å; F40-P75 VanDerWaalsContact CB-CG 3.45Å; F40-P75 HydrophobicContact CD1-CG 4.14Å; F40-P75 HydrophobicContact CD2-CB 3.99Å; F40-P75 HydrophobicContact CD2-CG 4.27Å; F40-P75 HydrophobicContact CG-CB 3.94Å; F40-P75 HydrophobicContact CG-CG 3.7Å; W73-P75 VanDerWaalsContact O-CD 3.29Å; W73-P75 WeakPolarHBondContact O-CD 3.31Å; P75-S77 VanDerWaalsContact C-N 3.28Å; P75-S77 PolarHBondContact O-N 3.11Å; P75-Y228 VanDerWaalsContact CD-CD1 3.44Å; P75-Y228 VanDerWaalsContact CD-CE1 3.43Å; P75-Y228 HydrophobicContact CG-CD1 3.68Å; P75-Y228 HydrophobicContact CG-CE1 4.07Å; P75-Y228 HydrophobicContact CG-CG 3.96Å |
| 76 | H | 95.9 | Very high | 96.4 | Very high | 152 Ų | 152 | 41.8 Ų | 41.8 | 70% | 0.704 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.4 | -25 | 176 | -165.5 | 76 | 0 | 0 | 0 | 113.1 | D74 | D74-H76 PolarHBondContact O-N 3.17Å; D74-H76 VanDerWaalsContact O-N 3.08Å; D74-H76 WeakPolarHBondContact OD1-CB 3.16Å; D74-H76 PolarHBondContact OD1-N 2.56Å |
| 77 | S | 94.2 | Very high | 96.4 | Very high | 70 Ų | 70 | 44.7 Ų | 44.7 | 49% | 0.49 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | -14.5 | -178.5 | 72.8 | 0 | 0 | 0 | 0 | 114 | D74 P75 A79 | D74-S77 WeakPolarHBondContact O-CB 3.21Å; D74-S77 PolarHBondContact O-N 2.94Å; D74-S77 PolarHBondContact O-OG 3.42Å; P75-S77 VanDerWaalsContact C-N 3.28Å; P75-S77 PolarHBondContact O-N 3.11Å; S77-A79 PolarHBondContact O-N 3.33Å |
| 78 | L | 93.4 | Very high | 96.4 | Very high | 17 Ų | 17 | 45.3 Ų | 45.3 | 9% | 0.089 | 25% | 0.254 | C | S | . | . | trans | -77.2 | 107.6 | 178.7 | -66.6 | 175.5 | 0 | 0 | 0 | 110.2 | N14 F40 W73 V80 | N14-L78 PolarHBondContact ND2-O 3.46Å; F40-L78 HydrophobicContact CE1-CD1 4.3Å; F40-L78 HydrophobicContact CE2-CD1 3.99Å; F40-L78 HydrophobicContact CZ-CD1 3.64Å; W73-L78 HydrophobicContact CD2-CD2 4.49Å; W73-L78 HydrophobicContact CE3-CD2 4.27Å; L78-V80 VanDerWaalsContact C-N 3.27Å; L78-V80 PolarHBondContact O-N 3.05Å | ||
| 79 | A | 93.1 | Very high | 96.3 | Very high | 102 Ų | 102 | 45.3 Ų | 45.3 | 84% | 0.843 | 25% | 0.254 | S | S | * | . | S | Bend | trans | -62.2 | -37.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | S77 | S77-A79 PolarHBondContact O-N 3.33Š|
| 80 | V | 94.1 | Very high | 96.2 | Very high | 114 Ų | 114 | 48.9 Ų | 48.9 | 69% | 0.691 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -137.9 | 131.3 | 175.5 | -179.4 | 0 | 0 | 0 | 0 | 107.8 | L78 | L78-V80 VanDerWaalsContact C-N 3.27Å; L78-V80 PolarHBondContact O-N 3.05Å |
| 81 | V | 97.6 | Very high | 96 | Very high | 10 Ų | 10 | 56 Ų | 56 | 6% | 0.061 | 31% | 0.305 | C | S | . | . | trans | -76.5 | 129 | 172.6 | -180 | 0 | 0 | 0 | 0 | 108.6 | N14 I38 F40 | N14-V81 WeakPolarHBondContact OD1-CG2 3.41Å; I38-V81 HydrophobicContact CB-CG1 3.69Å; I38-V81 HydrophobicContact CD1-CG1 4.2Å; I38-V81 HydrophobicContact CG1-CG1 4.43Å; I38-V81 HydrophobicContact CG2-CG1 4.05Å; F40-V81 HydrophobicContact CE2-CG1 3.91Å; F40-V81 HydrophobicContact CE2-CG2 3.98Å; F40-V81 HydrophobicContact CZ-CG1 4.25Å | ||
| 82 | P | 96.9 | Very high | 95.7 | Very high | 21 Ų | 21 | 60.1 Ų | 60.1 | 14% | 0.136 | 33% | 0.327 | C | S | . | . | trans | -59 | 159.3 | 179.8 | -23.9 | 33.4 | 0 | 0 | 0 | 113.6 | I38 D88 L89 L92 | I38-P82 HydrophobicContact CD1-CB 4.25Å; I38-P82 WeakPolarHBondContact CD1-O 3.24Å; P82-D88 HydrophobicContact CB-CB 3.72Å; P82-L89 HydrophobicContact CG-CB 4.37Å; P82-L89 HydrophobicContact CG-CD1 4.37Å; P82-L92 HydrophobicContact CG-CD1 4.04Å | ||
| 83 | E | 96.1 | Very high | 95.5 | Very high | 81 Ų | 81 | 60.8 Ų | 60.8 | 38% | 0.379 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -68.8 | -41 | 179.8 | -178.9 | 174.5 | 173.5 | 0 | 0 | 111.7 | A35 N36 | A35-E83 HydrophobicContact CB-CG 4.02Å; N36-E83 WeakPolarHBondContact CA-O 2.76Å; N36-E83 PolarHBondContact N-O 3.46Å; N36-E83 WeakPolarHBondContact OD1-CA 3.43Å |
| 84 | Y | 96.8 | Very high | 95.5 | Very high | 49 Ų | 49 | 59.3 Ų | 59.3 | 19% | 0.192 | 33% | 0.334 | C | S | . | . | trans | -124 | 139.2 | 179.6 | -54.5 | -80.8 | 0 | 0 | 0 | 112.3 | F34 A35 I38 I86 D88 L89 F234 | F34-Y84 HydrophobicContact CE2-CE1 4.02Å; A35-Y84 HydrophobicContact CB-CD1 4.1Å; A35-Y84 HydrophobicContact CB-CE1 3.38Å; I38-Y84 VanDerWaalsContact CD1-C 3.5Å; Y84-I86 WeakPolarHBondContact CB-O 3.42Å; Y84-I86 PolarHBondContact O-N 2.82Å; Y84-D88 WeakPolarHBondContact CD2-OD2 3.22Å; Y84-D88 PolarHBondContact N-OD2 3.29Å; Y84-D88 WeakPolarHBondContact O-CB 3.46Å; Y84-L89 PolarHBondContact O-N 3.5Å; Y84-F234 HydrophobicContact CD1-CD2 4.45Å; Y84-F234 AromaticContact CD1-CE2 3.84Å; Y84-F234 HydrophobicContact CD1-CE2 3.84Å; Y84-F234 AromaticContact CE1-CE2 3.81Å; Y84-F234 HydrophobicContact CE1-CE2 3.81Å | ||
| 85 | S | 96.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 32% | 0.319 | C | S | . | . | I | π-helix | trans | -67.1 | -28.5 | 169.8 | 57.4 | 0 | 0 | 0 | 0 | 112.5 | R67 L89 M90 D232 | R67-S85 WeakPolarHBondContact CD-OG 3.42Å; S85-L89 WeakPolarHBondContact O-CB 3.14Å; S85-M90 PolarHBondContact O-N 3.29Å; S85-D232 VanDerWaalsContact CB-OD2 3.3Å; S85-D232 WeakPolarHBondContact CB-OD2 3.42Å; S85-D232 PolarHBondContact N-OD2 3.09Å; S85-D232 VanDerWaalsContact N-OD2 3.1Å; S85-D232 VanDerWaalsContact OG-CB 3.31Å; S85-D232 WeakPolarHBondContact OG-CB 3.28Å; S85-D232 PolarHBondContact OG-OD2 3.31Å |
| 86 | I | 95.6 | Very high | 95.6 | Very high | 53 Ų | 53 | 58.9 Ų | 58.9 | 27% | 0.272 | 33% | 0.328 | S | S | . | . | I | π-helix | trans | -131.6 | 120.8 | 175.9 | -50.3 | 177.9 | 0 | 0 | 0 | 107.4 | R67 Y84 M90 V97 | R67-I86 PolarHBondContact NH1-O 3.13Å; Y84-I86 WeakPolarHBondContact CB-O 3.42Å; Y84-I86 PolarHBondContact O-N 2.82Å; I86-M90 HydrophobicContact CD1-SD 4.29Å; I86-M90 HydrophobicContact CG1-CG 4.5Å; I86-M90 HydrophobicContact CG1-SD 3.84Å; I86-M90 HydrophobicContact CG2-SD 4.36Å; I86-V97 HydrophobicContact CD1-CG1 4.36Å; I86-V97 WeakPolarHBondContact CD1-O 3.39Å; I86-V97 HydrophobicContact CG1-CB 4.28Å; I86-V97 HydrophobicContact CG1-CG1 4.26Å |
| 87 | P | 95.4 | Very high | 95.6 | Very high | 60 Ų | 60 | 51.8 Ų | 51.8 | 39% | 0.39 | 30% | 0.296 | S | S | . | . | I | π-helix | cis | -87.3 | -22.9 | 3.6 | 35.3 | -34.5 | 0 | 0 | 0 | 114.5 | L89 M90 E91 | P87-L89 PolarHBondContact O-N 3.39Å; P87-M90 CarbonylContact O-C 3.57Å; P87-M90 WeakPolarHBondContact O-CA 3.32Å; P87-M90 WeakPolarHBondContact O-CB 3.42Å; P87-M90 PolarHBondContact O-N 2.95Å; P87-E91 HydrophobicContact CB-CG 4.13Å; P87-E91 PolarHBondContact O-N 3.33Å |
| 88 | D | 96.8 | Very high | 95.7 | Very high | 49 Ų | 49 | 51.2 Ų | 51.2 | 26% | 0.262 | 29% | 0.285 | S | S | . | . | I | π-helix | trans | -55.3 | -52 | -158.8 | -37.7 | -22.1 | 0 | 0 | 0 | 114.5 | P82 Y84 M90 E91 L92 | P82-D88 HydrophobicContact CB-CB 3.72Å; Y84-D88 WeakPolarHBondContact CD2-OD2 3.22Å; Y84-D88 PolarHBondContact N-OD2 3.29Å; Y84-D88 WeakPolarHBondContact O-CB 3.46Å; D88-M90 VanDerWaalsContact C-N 3.31Å; D88-M90 PolarHBondContact O-N 3.07Å; D88-E91 PolarHBondContact O-N 2.71Å; D88-L92 PolarHBondContact O-N 2.98Å |
| 89 | L | 96.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 29% | 0.293 | C | S | . | . | I | π-helix | trans | -65.2 | -35.1 | 178.7 | -178.4 | 65.3 | 0 | 0 | 0 | 112.2 | I38 F40 P82 Y84 S85 P87 L92 S95 V97 V230 | I38-L89 HydrophobicContact CG2-CD2 4.46Å; F40-L89 HydrophobicContact CE1-CD2 4.11Å; F40-L89 HydrophobicContact CZ-CD2 4.46Å; P82-L89 HydrophobicContact CG-CB 4.37Å; P82-L89 HydrophobicContact CG-CD1 4.37Å; Y84-L89 PolarHBondContact O-N 3.5Å; S85-L89 WeakPolarHBondContact O-CB 3.14Å; P87-L89 PolarHBondContact O-N 3.39Å; L89-L92 HydrophobicContact CD1-CD1 4.23Å; L89-L92 PolarHBondContact O-N 3.37Å; L89-S95 PolarHBondContact O-OG 3.1Å; L89-V97 HydrophobicContact CD2-CG2 4.49Å; L89-V230 HydrophobicContact CD2-CG1 3.75Å; L89-V230 HydrophobicContact CD2-CG2 4.18Å |
| 90 | M | 95.1 | Very high | 95.7 | Very high | 75 Ų | 75 | 47.2 Ų | 47.2 | 37% | 0.369 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -69 | -33.7 | 175.8 | -70.8 | -172 | 69.3 | 0 | 0 | 112.3 | S85 I86 P87 D88 L92 G93 V97 | S85-M90 PolarHBondContact O-N 3.29Å; I86-M90 HydrophobicContact CD1-SD 4.29Å; I86-M90 HydrophobicContact CG1-CG 4.5Å; I86-M90 HydrophobicContact CG1-SD 3.84Å; I86-M90 HydrophobicContact CG2-SD 4.36Å; P87-M90 CarbonylContact O-C 3.57Å; P87-M90 WeakPolarHBondContact O-CA 3.32Å; P87-M90 WeakPolarHBondContact O-CB 3.42Å; P87-M90 PolarHBondContact O-N 2.95Å; D88-M90 VanDerWaalsContact C-N 3.31Å; D88-M90 PolarHBondContact O-N 3.07Å; M90-L92 VanDerWaalsContact C-N 3.27Å; M90-L92 PolarHBondContact O-N 3.2Å; M90-G93 PolarHBondContact O-N 3.05Å; M90-V97 HydrophobicContact CG-CB 4.46Å; M90-V97 HydrophobicContact SD-CB 4.43Å |
| 91 | E | 95.6 | Very high | 95.2 | Very high | 151 Ų | 151 | 43.9 Ų | 43.9 | 71% | 0.706 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -69.3 | -23.6 | 177.4 | -73.3 | -178.7 | 173.9 | 0 | 0 | 113.1 | P87 D88 G93 | P87-E91 HydrophobicContact CB-CG 4.13Å; P87-E91 PolarHBondContact O-N 3.33Å; D88-E91 PolarHBondContact O-N 2.71Å; E91-G93 PolarHBondContact O-N 3.25Å |
| 92 | L | 92.3 | Very high | 93.7 | Very high | 86 Ų | 86 | 52 Ų | 52 | 45% | 0.45 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -11.2 | 168.4 | -59.5 | -178.8 | 0 | 0 | 0 | 112.9 | W73 P82 D88 L89 M90 | W73-L92 HydrophobicContact CZ2-CB 4.37Å; P82-L92 HydrophobicContact CG-CD1 4.04Å; D88-L92 PolarHBondContact O-N 2.98Å; L89-L92 HydrophobicContact CD1-CD1 4.23Å; L89-L92 PolarHBondContact O-N 3.37Å; M90-L92 VanDerWaalsContact C-N 3.27Å; M90-L92 PolarHBondContact O-N 3.2Å |
| 93 | G | 93.8 | Very high | 91.9 | Very high | 30 Ų | 30 | 58.1 Ų | 58.1 | 31% | 0.309 | 30% | 0.295 | S | S | . | . | S | Bend | trans | 79.6 | 170.9 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | W73 M90 E91 S95 | W73-G93 PolarHBondContact NE1-O 3.19Å; M90-G93 PolarHBondContact O-N 3.05Å; E91-G93 PolarHBondContact O-N 3.25Å; G93-S95 PolarHBondContact O-N 3.44Å; G93-S95 PolarHBondContact O-OG 3.01Å |
| 94 | D | 95.5 | Very high | 90.2 | Very high | 60 Ų | 60 | 57.4 Ų | 57.4 | 32% | 0.321 | 29% | 0.291 | S | S | . | . | S | Bend | trans | 52.6 | 30.2 | 176.2 | -65.5 | -42.3 | 0 | 0 | 0 | 115 | T71 A72 W96 R225 | T71-D94 CarbonylContact C-O 3.57Å; T71-D94 WeakPolarHBondContact CA-O 3.23Å; T71-D94 PolarHBondContact OG1-O 3.34Å; A72-D94 HydrophobicContact CB-CB 3.99Å; A72-D94 PolarHBondContact N-O 3.03Å; D94-W96 HydrophobicContact CB-CH2 4.29Å; D94-W96 WeakPolarHBondContact O-CZ3 3.42Å; D94-R225 IonicContact OD1-CZ 3.77Å; D94-R225 IonicContact OD1-NH1 2.98Å; D94-R225 IonicContact OD1-NH2 3.22Å; D94-R225 PolarHBondContact OD1-NH2 2.92Å; D94-R225 IonicContact OD2-CZ 2.78Å; D94-R225 VanDerWaalsContact OD2-CZ 3.28Å; D94-R225 IonicContact OD2-NH1 3.84Å; D94-R225 PolarHBondContact OD2-NH1 2.84Å; D94-R225 IonicContact OD2-NH2 2.79Å; D94-R225 PolarHBondContact OD2-NH2 2.84Å |
| 95 | S | 97.9 | Very high | 88.3 | Confident | 6 Ų | 6 | 58.1 Ų | 58.1 | 4% | 0.042 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 133.9 | 178.4 | -56.5 | 0 | 0 | 0 | 0 | 110.4 | L70 T71 L89 G93 | L70-S95 WeakPolarHBondContact O-CA 3.23Å; T71-S95 WeakPolarHBondContact CB-OG 3.3Å; T71-S95 PolarHBondContact OG1-OG 2.86Å; L89-S95 PolarHBondContact O-OG 3.1Å; G93-S95 PolarHBondContact O-N 3.44Å; G93-S95 PolarHBondContact O-OG 3.01Å |
| 96 | W | 97.8 | Very high | 86.9 | Confident | 50 Ų | 50 | 63.7 Ų | 63.7 | 19% | 0.189 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 95.2 | -177 | -55.8 | -89 | 0 | 0 | 0 | 108.7 | G69 L70 D94 F98 M205 A218 I221 P222 L227 | G69-W96 CarbonylContact C-O 3.51Å; G69-W96 WeakPolarHBondContact CA-O 3.09Å; L70-W96 HydrophobicContact CB-CE3 4.48Å; L70-W96 PolarHBondContact N-O 2.91Å; L70-W96 PolarHBondContact O-N 3.37Å; D94-W96 HydrophobicContact CB-CH2 4.29Å; D94-W96 WeakPolarHBondContact O-CZ3 3.42Å; W96-F98 HydrophobicContact CB-CE2 4.35Å; W96-M205 HydrophobicContact CB-CE 3.96Å; W96-M205 HydrophobicContact CB-SD 4.03Å; W96-M205 WeakPolarHBondContact O-CE 3.45Å; W96-A218 HydrophobicContact CB-CB 4.11Å; W96-A218 HydrophobicContact CG-CB 4.1Å; W96-I221 HydrophobicContact CD2-CB 4.16Å; W96-I221 HydrophobicContact CD2-CG2 3.59Å; W96-I221 VanDerWaalsContact CE2-CG2 3.47Å; W96-I221 HydrophobicContact CE3-CB 4.33Å; W96-I221 HydrophobicContact CE3-CD1 4.41Å; W96-I221 HydrophobicContact CE3-CG2 4.2Å; W96-I221 HydrophobicContact CG-CG2 3.85Å; W96-I221 HydrophobicContact CH2-CB 4.23Å; W96-I221 HydrophobicContact CZ2-CB 4Å; W96-I221 HydrophobicContact CZ2-CG2 4.03Å; W96-I221 HydrophobicContact CZ3-CB 4.36Å; W96-P222 HydrophobicContact CH2-CG 3.61Å; W96-P222 VanDerWaalsContact CZ2-CD 3.42Å; W96-P222 HydrophobicContact CZ2-CG 4.08Å; W96-L227 HydrophobicContact CZ3-CD2 3.96Å |
| 97 | V | 97.6 | Very high | 85.7 | Confident | 3 Ų | 3 | 63.8 Ų | 63.8 | 2% | 0.018 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 137.3 | -174.2 | -175.8 | 0 | 0 | 0 | 0 | 110.4 | R67 I86 L89 M90 V230 | R67-V97 HydrophobicContact CB-CG1 3.78Å; I86-V97 HydrophobicContact CD1-CG1 4.36Å; I86-V97 WeakPolarHBondContact CD1-O 3.39Å; I86-V97 HydrophobicContact CG1-CB 4.28Å; I86-V97 HydrophobicContact CG1-CG1 4.26Å; L89-V97 HydrophobicContact CD2-CG2 4.49Å; M90-V97 HydrophobicContact CG-CB 4.46Å; M90-V97 HydrophobicContact SD-CB 4.43Å; V97-V230 HydrophobicContact CG2-CB 4.21Å; V97-V230 HydrophobicContact CG2-CG1 4.06Å |
| 98 | F | 95.9 | Very high | 84.2 | Confident | 59 Ų | 59 | 67.7 Ų | 67.7 | 26% | 0.259 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 141.2 | -176.8 | -65.1 | -96.4 | 0 | 0 | 0 | 111.2 | R67 I68 W96 M205 I207 S217 A218 | R67-F98 CarbonylContact C-O 3.56Å; R67-F98 VanDerWaalsContact CA-O 3.22Å; R67-F98 WeakPolarHBondContact CA-O 3.23Å; I68-F98 PolarHBondContact N-O 2.79Å; I68-F98 PolarHBondContact O-N 2.6Å; W96-F98 HydrophobicContact CB-CE2 4.35Å; F98-M205 HydrophobicContact CD2-CE 3.47Å; F98-M205 VanDerWaalsContact CD2-CE 3.47Å; F98-M205 HydrophobicContact CE2-CE 3.31Å; F98-I207 HydrophobicContact CB-CD1 3.82Å; F98-I207 HydrophobicContact CD2-CD1 4.19Å; F98-I207 HydrophobicContact CG-CD1 4.23Å; F98-S217 WeakPolarHBondContact CZ-O 3.31Å; F98-A218 HydrophobicContact CE2-CB 4.25Å; F98-A218 HydrophobicContact CZ-CB 4.35Å |
| 99 | A | 94.7 | Very high | 82.3 | Confident | 32 Ų | 32 | 71.6 Ų | 71.6 | 26% | 0.264 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 136.7 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | H65 R67 T101 N105 | H65-A99 HydrophobicContact CB-CB 4.4Å; R67-A99 HydrophobicContact CG-CB 4.13Å; A99-T101 PolarHBondContact O-N 3.47Å; A99-N105 PolarHBondContact O-ND2 2.91Å |
| 100 | I | 92.4 | Very high | 80.1 | Confident | 2 Ų | 2 | 79.9 Ų | 79.9 | 1% | 0.01 | 40% | 0.397 | C | S | . | . | trans | -88.5 | 99.6 | 178.4 | -55.8 | -55.8 | 0 | 0 | 0 | 109.9 | H65 L66 I68 P184 T185 I191 I207 I209 | H65-I100 VanDerWaalsContact CB-O 3.24Å; H65-I100 WeakPolarHBondContact CB-O 3.36Å; H65-I100 VanDerWaalsContact CG-O 3.25Å; H65-I100 PolarHBondContact ND1-O 2.99Å; L66-I100 PolarHBondContact O-N 3.15Å; I68-I100 HydrophobicContact CG2-CD1 3.78Å; I68-I100 HydrophobicContact CG2-CG1 4.22Å; I100-P184 HydrophobicContact CG2-CB 3.78Å; I100-T185 HydrophobicContact CB-CG2 4.23Å; I100-T185 HydrophobicContact CG2-CG2 3.86Å; I100-T185 WeakPolarHBondContact O-CG2 3.45Å; I100-I191 HydrophobicContact CD1-CG2 3.93Å; I100-I191 HydrophobicContact CG1-CG2 3.99Å; I100-I191 HydrophobicContact CG2-CG1 4.38Å; I100-I207 HydrophobicContact CD1-CD1 4.47Å; I100-I207 HydrophobicContact CD1-CG2 3.96Å; I100-I209 HydrophobicContact CD1-CD1 4.27Å; I100-I209 HydrophobicContact CG2-CD1 3.99Å | ||
| 101 | T | 82.6 | Confident | 77.5 | Confident | 45 Ų | 45 | 81.5 Ų | 81.5 | 28% | 0.276 | 41% | 0.414 | S | S | . | . | trans | -95.7 | 170.1 | -178.9 | 74.1 | 0 | 0 | 0 | 0 | 112.1 | A99 N103 | A99-T101 PolarHBondContact O-N 3.47Å; T101-N103 VanDerWaalsContact C-N 3.28Å; T101-N103 PolarHBondContact O-N 2.56Å | ||
| 102 | R | 65.2 | Low | 74.6 | Confident | 181 Ų | 181 | 83.2 Ų | 83.2 | 68% | 0.683 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.8 | -22.3 | 176.5 | -66.9 | -174.3 | -172.8 | -175.3 | 3.9 | 113.5 | H104 | R102-H104 PolarHBondContact O-CE1 3.29Å; R102-H104 PolarHBondContact O-ND1 3.01Å; R102-H104 VanDerWaalsContact O-ND1 3.11Å |
| 103 | N | 59.9 | Low | 71.8 | Confident | 149 Ų | 149 | 84.6 Ų | 84.6 | 80% | 0.797 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.8 | 8.1 | -172.5 | -70.5 | -3.5 | 0 | 0 | 0 | 114.1 | T101 | T101-N103 VanDerWaalsContact C-N 3.28Å; T101-N103 PolarHBondContact O-N 2.56Å |
| 104 | H | 61.5 | Low | 69 | Low | 66 Ų | 66 | 91.7 Ų | 91.7 | 31% | 0.306 | 46% | 0.459 | S | S | . | . | trans | 57.2 | 122.6 | 171 | -54.3 | 80.8 | 0 | 0 | 0 | 114.8 | R102 K106 P184 M214 | R102-H104 PolarHBondContact O-CE1 3.29Å; R102-H104 PolarHBondContact O-ND1 3.01Å; R102-H104 VanDerWaalsContact O-ND1 3.11Å; H104-K106 PolarHBondContact O-N 2.83Å; H104-P184 WeakPolarHBondContact CE1-CG 3.49Å; H104-P184 WeakPolarHBondContact NE2-CG 3.35Å; H104-M214 HydrophobicContact CB-SD 3.98Å | ||
| 105 | N | 56.4 | Low | 66 | Low | 64 Ų | 64 | 97.8 Ų | 97.8 | 34% | 0.342 | 49% | 0.485 | S | S | . | . | trans | -75.7 | 51.4 | 172.2 | -59.5 | -25.6 | 0 | 0 | 0 | 110.4 | A99 V107 | A99-N105 PolarHBondContact O-ND2 2.91Å; N105-V107 PolarHBondContact O-N 2.96Å | ||
| 106 | K | 66.6 | Low | 62.9 | Low | 117 Ų | 117 | 101.8 Ų | 101.8 | 51% | 0.509 | 52% | 0.519 | S | S | . | . | trans | -68.5 | 102.5 | 179.5 | -167.3 | 166.4 | -171.5 | 160.9 | 0 | 107.8 | H104 L108 E212 M214 | H104-K106 PolarHBondContact O-N 2.83Å; K106-L108 PolarHBondContact O-N 3.22Å; K106-L108 VanDerWaalsContact O-N 3.14Å; K106-E212 IonicContact NZ-OE1 2.71Å; K106-E212 PolarHBondContact NZ-OE1 2.9Å; K106-M214 WeakPolarHBondContact CA-O 3.27Å | ||
| 107 | V | 70.4 | Confident | 59.8 | Low | 54 Ų | 54 | 102.9 Ų | 102.9 | 33% | 0.327 | 55% | 0.545 | S | S | . | . | trans | -73.3 | 106.7 | 175.8 | -176.9 | 0 | 0 | 0 | 0 | 106 | N105 E109 M214 | N105-V107 PolarHBondContact O-N 2.96Å; V107-E109 PolarHBondContact O-N 3.4Å; V107-M214 PolarHBondContact N-O 3.46Å | ||
| 108 | L | 64.2 | Low | 56.6 | Low | 142 Ų | 142 | 114.7 Ų | 114.7 | 74% | 0.743 | 59% | 0.59 | S | S | * | * | trans | -67.4 | 121.8 | 170.7 | -63.5 | 175 | 0 | 0 | 0 | 107.3 | K106 E110 | K106-L108 PolarHBondContact O-N 3.22Å; K106-L108 VanDerWaalsContact O-N 3.14Å; L108-E110 PolarHBondContact O-N 3.37Å | ||
| 109 | E | 57.4 | Low | 53.5 | Low | 131 Ų | 131 | 123 Ų | 123 | 61% | 0.612 | 62% | 0.619 | S | S | * | * | trans | -69 | 111.9 | 169.4 | -67.3 | -172.7 | 162.9 | 0 | 0 | 108 | V107 | V107-E109 PolarHBondContact O-N 3.4Š| ||
| 110 | E | 48.2 | Very low | 50.5 | Low | 174 Ų | 174 | 130 Ų | 130 | 81% | 0.813 | 65% | 0.651 | S | S | * | * | trans | -64.3 | 125.9 | 166.4 | -69.2 | -176.4 | 174.2 | 0 | 0 | 107.7 | L108 E112 | L108-E110 PolarHBondContact O-N 3.37Å; E110-E112 PolarHBondContact O-N 2.66Å | ||
| 111 | P | 40.8 | Very low | 47.4 | Very low | 110 Ų | 110 | 133.4 Ų | 133.4 | 71% | 0.714 | 69% | 0.687 | S | S | * | * | trans | -59.4 | 132.4 | 176.4 | 23.3 | -30.9 | 0 | 0 | 0 | 108.8 | V113 | P111-V113 PolarHBondContact O-N 3.21Š| ||
| 112 | E | 34.5 | Very low | 44.8 | Very low | 186 Ų | 186 | 143.3 Ų | 143.3 | 87% | 0.869 | 72% | 0.719 | S | S | * | * | trans | -51.7 | 103.8 | 176.4 | -67.6 | -177.4 | 164.8 | 0 | 0 | 109.5 | E110 Q114 | E110-E112 PolarHBondContact O-N 2.66Å; E112-Q114 PolarHBondContact O-N 3.36Å | ||
| 113 | V | 34.9 | Very low | 42.9 | Very low | 116 Ų | 116 | 137.9 Ų | 137.9 | 70% | 0.703 | 72% | 0.719 | S | S | * | * | trans | -70.2 | 98.9 | 176.6 | -174 | 0 | 0 | 0 | 0 | 106.6 | P111 H115 | P111-V113 PolarHBondContact O-N 3.21Å; V113-H115 PolarHBondContact O-N 2.82Å | ||
| 114 | Q | 33.5 | Very low | 41.5 | Very low | 178 Ų | 178 | 139.6 Ų | 139.6 | 83% | 0.832 | 72% | 0.722 | S | S | * | * | trans | -56.5 | 108.4 | 164.3 | -69.3 | 179.6 | 16.5 | 0 | 0 | 107 | E112 A116 | E112-Q114 PolarHBondContact O-N 3.36Å; Q114-A116 PolarHBondContact O-N 3.1Å | ||
| 115 | H | 33.8 | Very low | 39.9 | Very low | 188 Ų | 188 | 145.3 Ų | 145.3 | 87% | 0.87 | 75% | 0.749 | S | S | * | * | trans | -63.2 | 85.4 | 174.2 | -76.6 | -51.4 | 0 | 0 | 0 | 110 | V113 | V113-H115 PolarHBondContact O-N 2.82Š| ||
| 116 | A | 33.1 | Very low | 38.8 | Very low | 91 Ų | 91 | 150.8 Ų | 150.8 | 75% | 0.752 | 77% | 0.773 | S | S | * | * | trans | -103.3 | 95.4 | 161.3 | 0 | 0 | 0 | 0 | 0 | 107.6 | Q114 | Q114-A116 PolarHBondContact O-N 3.1Š| ||
| 117 | G | 33.1 | Very low | 36.9 | Very low | 73 Ų | 73 | 153.3 Ų | 153.3 | 75% | 0.753 | 79% | 0.792 | S | S | * | * | trans | -63.4 | 135.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 118 | R | 30.3 | Very low | 34.9 | Very low | 251 Ų | 251 | 153.8 Ų | 153.8 | 95% | 0.947 | 81% | 0.807 | S | S | * | * | trans | -162.6 | 119.7 | 147 | -109.4 | 170 | -170 | -147.8 | 3.5 | 112.8 | ||||
| 119 | R | 29.8 | Very low | 33.2 | Very low | 232 Ų | 232 | 153.7 Ų | 153.7 | 88% | 0.875 | 81% | 0.812 | S | S | * | * | trans | -5.1 | 130.7 | 156.9 | -65.1 | 176.5 | 174.9 | -175.7 | -2.7 | 120.7 | ||||
| 120 | L | 31.6 | Very low | 31.8 | Very low | 180 Ų | 180 | 156.2 Ų | 156.2 | 94% | 0.942 | 82% | 0.824 | S | S | * | * | 47.3 | 126.7 | 128.2 | -65.5 | 165 | 0 | 0 | 0 | 122.2 | |||||
| 121 | G | 28.1 | Very low | 30.9 | Very low | 73 Ų | 73 | 154 Ų | 154 | 75% | 0.753 | 82% | 0.822 | S | S | * | * | trans | 157.3 | 101 | 153.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 122 | R | 26.8 | Very low | 30.3 | Very low | 254 Ų | 254 | 156 Ų | 156 | 96% | 0.958 | 83% | 0.827 | S | S | * | * | 73.5 | 108.1 | 89.7 | -167.4 | -177.6 | -171.4 | -148.3 | 0.4 | 114.7 | |||||
| 123 | G | 26.2 | Very low | 30.4 | Very low | 66 Ų | 66 | 156.1 Ų | 156.1 | 68% | 0.68 | 83% | 0.827 | S | S | * | * | trans | 85.7 | 119.9 | 131.8 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 124 | E | 29.4 | Very low | 30.5 | Very low | 185 Ų | 185 | 153.7 Ų | 153.7 | 86% | 0.864 | 83% | 0.826 | S | S | * | * | trans | 85.1 | 111 | 136.6 | -64.8 | 169.7 | -167.5 | 0 | 0 | 121.3 | ||||
| 125 | E | 28.5 | Very low | 30.2 | Very low | 186 Ų | 186 | 148.4 Ų | 148.4 | 87% | 0.869 | 82% | 0.819 | S | S | * | * | 63.2 | 139.8 | 127.9 | -63.2 | -176.4 | -178.5 | 0 | 0 | 124.4 | |||||
| 126 | E | 33 | Very low | 30.1 | Very low | 180 Ų | 180 | 146.3 Ų | 146.3 | 84% | 0.841 | 81% | 0.814 | S | S | * | * | trans | -18.4 | 136.6 | 171.1 | -57.6 | -179.5 | 158.6 | 0 | 0 | 118.9 | ||||
| 127 | D | 27.1 | Very low | 30.1 | Very low | 170 Ų | 170 | 148.1 Ų | 148.1 | 91% | 0.909 | 82% | 0.816 | S | S | * | * | -177.9 | 150.8 | 110.7 | -122.6 | -26.3 | 0 | 0 | 0 | 113.3 | |||||
| 128 | G | 28.1 | Very low | 30 | Very low | 63 Ų | 63 | 152.8 Ų | 152.8 | 65% | 0.649 | 82% | 0.816 | S | S | * | * | trans | 85.3 | 86.4 | 149.5 | 0 | 0 | 0 | 0 | 0 | 119 | Q130 | G128-Q130 PolarHBondContact O-N 2.99Å; G128-Q130 VanDerWaalsContact O-N 3.08Å | ||
| 129 | V | 28.4 | Very low | 30 | Very low | 140 Ų | 140 | 146 Ų | 146 | 85% | 0.848 | 80% | 0.804 | S | S | * | * | trans | -66.2 | 102.4 | 157 | 176.7 | 0 | 0 | 0 | 0 | 108.7 | V131 | V129-V131 HydrophobicContact CG1-CG2 4.2Š| ||
| 130 | Q | 28.2 | Very low | 30.5 | Very low | 185 Ų | 185 | 144 Ų | 144 | 86% | 0.864 | 81% | 0.805 | S | S | * | * | trans | -99.8 | 116.2 | 159.8 | -74.6 | -176 | -1.9 | 0 | 0 | 108.3 | G128 D132 | G128-Q130 PolarHBondContact O-N 2.99Å; G128-Q130 VanDerWaalsContact O-N 3.08Å; Q130-D132 PolarHBondContact O-N 3.04Å | ||
| 131 | V | 30.7 | Very low | 30.8 | Very low | 127 Ų | 127 | 140.6 Ų | 140.6 | 77% | 0.77 | 79% | 0.792 | S | S | * | * | trans | -75.4 | 101.1 | 173.4 | -177.8 | 0 | 0 | 0 | 0 | 106.9 | V129 E133 | V129-V131 HydrophobicContact CG1-CG2 4.2Å; V131-E133 PolarHBondContact O-N 2.87Å | ||
| 132 | D | 28.1 | Very low | 31.4 | Very low | 153 Ų | 153 | 142.7 Ų | 142.7 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | trans | -85.2 | 105.3 | 172.9 | -164.4 | 15.9 | 0 | 0 | 0 | 109.4 | Q130 G134 | Q130-D132 PolarHBondContact O-N 3.04Å; D132-G134 PolarHBondContact O-N 2.88Å; D132-G134 VanDerWaalsContact O-N 3.1Å | ||
| 133 | E | 36.6 | Very low | 32.5 | Very low | 187 Ų | 187 | 138.2 Ų | 138.2 | 87% | 0.874 | 77% | 0.768 | S | S | * | * | trans | -68.4 | 91.6 | 169.3 | -73.5 | -173.3 | 138.4 | 0 | 0 | 109.7 | V131 | V131-E133 PolarHBondContact O-N 2.87Š| ||
| 134 | G | 35.1 | Very low | 33.8 | Very low | 66 Ų | 66 | 139 Ų | 139 | 68% | 0.68 | 76% | 0.76 | S | S | * | * | trans | -159.7 | 26.1 | -176.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | D132 | D132-G134 PolarHBondContact O-N 2.88Å; D132-G134 VanDerWaalsContact O-N 3.1Å | ||
| 135 | G | 27.3 | Very low | 35.4 | Very low | 66 Ų | 66 | 135.1 Ų | 135.1 | 68% | 0.68 | 75% | 0.745 | S | S | * | * | trans | -94 | 97.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112 | T137 | G135-T137 VanDerWaalsContact C-N 3.32Å; G135-T137 PolarHBondContact O-N 3.16Å | ||
| 136 | N | 31.5 | Very low | 37.4 | Very low | 144 Ų | 144 | 127.3 Ų | 127.3 | 77% | 0.77 | 71% | 0.711 | S | S | * | * | trans | -47.4 | 84.7 | 171.2 | -173.3 | 18.5 | 0 | 0 | 0 | 112.4 | K138 | N136-K138 VanDerWaalsContact C-N 3.27Å; N136-K138 PolarHBondContact O-N 3.4Å | ||
| 137 | T | 34 | Very low | 39.9 | Very low | 129 Ų | 129 | 119 Ų | 119 | 79% | 0.791 | 67% | 0.672 | S | S | * | * | trans | -70.5 | 90.5 | 168.3 | 49.5 | 0 | 0 | 0 | 0 | 107.2 | G135 | G135-T137 VanDerWaalsContact C-N 3.32Å; G135-T137 PolarHBondContact O-N 3.16Å | ||
| 138 | K | 30.1 | Very low | 42.8 | Very low | 171 Ų | 171 | 111.4 Ų | 111.4 | 74% | 0.743 | 63% | 0.632 | S | S | * | * | trans | -46.1 | 127.7 | 155.2 | -83.3 | -179.7 | 175.6 | 176.2 | 0 | 106.5 | N136 E140 | N136-K138 VanDerWaalsContact C-N 3.27Å; N136-K138 PolarHBondContact O-N 3.4Å; K138-E140 PolarHBondContact O-N 2.8Å; K138-E140 VanDerWaalsContact O-N 3.16Å | ||
| 139 | P | 31.9 | Very low | 45.9 | Very low | 109 Ų | 109 | 114.6 Ų | 114.6 | 71% | 0.708 | 63% | 0.625 | S | S | * | * | trans | -55.4 | 128.2 | 178 | 22.3 | -30.5 | 0 | 0 | 0 | 107.4 | T141 | P139-T141 VanDerWaalsContact C-N 3.34Å; P139-T141 PolarHBondContact O-N 2.8Å | ||
| 140 | E | 40.7 | Very low | 48.9 | Very low | 189 Ų | 189 | 108 Ų | 108 | 88% | 0.883 | 59% | 0.585 | S | S | * | * | trans | -51.2 | 100.9 | 177.3 | -75.1 | -167.4 | 156.7 | 0 | 0 | 108.5 | K138 F142 | K138-E140 PolarHBondContact O-N 2.8Å; K138-E140 VanDerWaalsContact O-N 3.16Å; E140-F142 PolarHBondContact O-N 2.86Å | ||
| 141 | T | 36.1 | Very low | 51.9 | Low | 110 Ų | 110 | 103.4 Ų | 103.4 | 68% | 0.675 | 57% | 0.566 | S | S | * | * | trans | -67.5 | 105.1 | 176.9 | 46.6 | 0 | 0 | 0 | 0 | 106.4 | P139 F143 | P139-T141 VanDerWaalsContact C-N 3.34Å; P139-T141 PolarHBondContact O-N 2.8Å; T141-F143 PolarHBondContact O-N 3.35Å | ||
| 142 | F | 41.8 | Very low | 54.7 | Low | 117 Ų | 117 | 102.4 Ų | 102.4 | 51% | 0.513 | 57% | 0.565 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -32 | 112 | 170.7 | -79.8 | -92.1 | 0 | 0 | 0 | 111.6 | E140 T144 R267 | E140-F142 PolarHBondContact O-N 2.86Å; F142-T144 WeakPolarHBondContact O-CG2 3.28Å; F142-T144 PolarHBondContact O-N 2.78Å; F142-R267 HydrophobicContact CE1-CB 4.07Å; F142-R267 HydrophobicContact CZ-CB 4.25Å |
| 143 | F | 50.5 | Low | 57.7 | Low | 160 Ų | 160 | 96 Ų | 96 | 70% | 0.702 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 9.4 | 71.3 | 168 | -65.1 | -85.8 | 0 | 0 | 0 | 115.9 | T141 | T141-F143 PolarHBondContact O-N 3.35Š|
| 144 | T | 51.9 | Low | 60.3 | Low | 82 Ų | 82 | 93.1 Ų | 93.1 | 50% | 0.503 | 51% | 0.512 | S | S | . | . | trans | -87.6 | -18.9 | -178.5 | 52.3 | 0 | 0 | 0 | 0 | 113.4 | F142 S146 K258 | F142-T144 WeakPolarHBondContact O-CG2 3.28Å; F142-T144 PolarHBondContact O-N 2.78Å; T144-S146 PolarHBondContact O-N 2.88Å; T144-K258 VanDerWaalsContact O-CE 3.26Å; T144-K258 WeakPolarHBondContact O-CE 3.38Å; T144-K258 PolarHBondContact O-NZ 3.48Å | ||
| 145 | D | 62.9 | Low | 62.8 | Low | 103 Ų | 103 | 90 Ų | 90 | 55% | 0.551 | 48% | 0.48 | S | S | * | . | trans | -81.7 | 111.2 | -174 | -73.3 | -30.7 | 0 | 0 | 0 | 111.5 | H147 R157 | D145-H147 PolarHBondContact O-N 3.38Å; D145-R157 WeakPolarHBondContact O-CD 3.21Å | ||
| 146 | S | 72.4 | Confident | 65.6 | Low | 22 Ų | 22 | 87 Ų | 87 | 15% | 0.154 | 45% | 0.448 | C | S | . | . | S | Bend | trans | -74.2 | -9.9 | 175 | 41.7 | 0 | 0 | 0 | 0 | 112.9 | T144 R157 K258 | T144-S146 PolarHBondContact O-N 2.88Å; S146-R157 PolarHBondContact O-N 2.83Å; S146-K258 PolarHBondContact OG-NZ 2.83Å |
| 147 | H | 84.6 | Confident | 67.9 | Low | 6 Ų | 6 | 84.4 Ų | 84.4 | 3% | 0.028 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 146.8 | -175 | -60.2 | 74.1 | 0 | 0 | 0 | 110.8 | D145 Y149 R154 I155 R157 S250 | D145-H147 PolarHBondContact O-N 3.38Å; H147-Y149 HydrophobicContact CB-CD2 4.45Å; H147-Y149 HydrophobicContact CB-CE2 3.86Å; H147-R154 HydrophobicContact CB-CG 3.63Å; H147-R154 VanDerWaalsContact CD2-CG 3.49Å; H147-R154 WeakPolarHBondContact CD2-CG 3.32Å; H147-R154 PolarHBondContact CD2-NE 2.85Å; H147-R154 VanDerWaalsContact CE1-CZ 3.49Å; H147-R154 PolarHBondContact CE1-NH2 3.1Å; H147-R154 PolarHBondContact ND1-NE 2.83Å; H147-R154 PolarHBondContact ND1-NH2 3.06Å; H147-R154 VanDerWaalsContact ND1-NH2 3.18Å; H147-R154 PolarHBondContact NE2-NE 2.84Å; H147-R154 PolarHBondContact NE2-NH2 2.95Å; H147-I155 CarbonylContact C-O 3.57Å; H147-I155 WeakPolarHBondContact CA-O 3.33Å; H147-R157 PolarHBondContact O-NH1 2.88Å; H147-S250 PolarHBondContact CE1-OG 2.85Å; H147-S250 VanDerWaalsContact CE1-OG 3.31Å |
| 148 | L | 88.8 | Confident | 69.9 | Low | 11 Ų | 11 | 79.5 Ų | 79.5 | 6% | 0.058 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 134.1 | 160.2 | 176.9 | 65.3 | 0 | 0 | 0 | 107 | I150 I155 R157 L160 V208 D213 | L148-I150 HydrophobicContact CD2-CD1 4.03Å; L148-I150 HydrophobicContact CD2-CG1 4.29Å; L148-I150 HydrophobicContact CG-CD1 4.41Å; L148-I150 HydrophobicContact CG-CG1 4.13Å; L148-I155 HydrophobicContact CB-CB 4.47Å; L148-I155 PolarHBondContact N-O 2.8Å; L148-I155 PolarHBondContact O-N 3.43Å; L148-R157 HydrophobicContact CB-CG 4.27Å; L148-L160 HydrophobicContact CB-CD1 3.71Å; L148-L160 HydrophobicContact CD2-CD1 3.71Å; L148-L160 HydrophobicContact CG-CD1 4.38Å; L148-V208 HydrophobicContact CD2-CG1 3.77Å; L148-V208 HydrophobicContact CD2-CG2 3.91Å; L148-D213 HydrophobicContact CD1-CB 4.31Å; L148-D213 HydrophobicContact CD2-CB 4.4Å |
| 149 | Y | 91.4 | Very high | 72.3 | Confident | 129 Ų | 129 | 75.2 Ų | 75.2 | 51% | 0.506 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 125.9 | 177.3 | -65.9 | -90 | 0 | 0 | 0 | 108.1 | H147 V153 R154 | H147-Y149 HydrophobicContact CB-CD2 4.45Å; H147-Y149 HydrophobicContact CB-CE2 3.86Å; Y149-V153 WeakPolarHBondContact CA-O 3.33Å; Y149-R154 HydrophobicContact CD1-CB 4.25Å; Y149-R154 HydrophobicContact CD1-CG 4.19Å; Y149-R154 HydrophobicContact CE1-CB 4.13Å; Y149-R154 HydrophobicContact CE1-CG 3.69Å |
| 150 | I | 93.3 | Very high | 74.9 | Confident | 2 Ų | 2 | 70 Ų | 70 | 1% | 0.01 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 102.9 | 174.9 | -56.5 | 178.4 | 0 | 0 | 0 | 105.6 | L148 S152 V153 I155 L194 V196 H206 V208 D213 | L148-I150 HydrophobicContact CD2-CD1 4.03Å; L148-I150 HydrophobicContact CD2-CG1 4.29Å; L148-I150 HydrophobicContact CG-CD1 4.41Å; L148-I150 HydrophobicContact CG-CG1 4.13Å; I150-S152 PolarHBondContact O-N 3.37Å; I150-S152 VanDerWaalsContact O-N 3.14Å; I150-V153 PolarHBondContact N-O 3.31Å; I150-V153 WeakPolarHBondContact O-CA 3.34Å; I150-V153 VanDerWaalsContact O-CB 3.31Å; I150-V153 WeakPolarHBondContact O-CB 3.3Å; I150-V153 PolarHBondContact O-N 2.93Å; I150-I155 HydrophobicContact CD1-CD1 4.15Å; I150-L194 HydrophobicContact CD1-CD1 4.26Å; I150-L194 HydrophobicContact CD1-CD2 3.91Å; I150-V196 HydrophobicContact CG2-CG2 3.95Å; I150-H206 HydrophobicContact CD1-CB 4.41Å; I150-H206 HydrophobicContact CG2-CB 4.37Å; I150-H206 VanDerWaalsContact CG2-CE1 3.47Å; I150-H206 WeakPolarHBondContact CG2-CE1 3.43Å; I150-H206 VanDerWaalsContact CG2-ND1 3.29Å; I150-H206 WeakPolarHBondContact CG2-ND1 3.4Å; I150-V208 HydrophobicContact CD1-CG2 3.75Å; I150-D213 HydrophobicContact CD1-CB 3.89Å; I150-D213 HydrophobicContact CG1-CB 3.94Å |
| 151 | D | 91.1 | Very high | 76.7 | Confident | 88 Ų | 88 | 63 Ų | 63 | 47% | 0.471 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 47.9 | -115.7 | -165.6 | -55.5 | -56.4 | 0 | 0 | 0 | 112.5 | V196 K198 | D151-V196 HydrophobicContact CB-CG1 4.04Å; D151-V196 WeakPolarHBondContact OD2-CG1 3.32Å; D151-K198 IonicContact OD1-NZ 2.72Å; D151-K198 PolarHBondContact OD1-NZ 2.79Å; D151-K198 VanDerWaalsContact OD1-NZ 3.08Å; D151-K198 IonicContact OD2-NZ 2.74Å; D151-K198 PolarHBondContact OD2-NZ 2.69Å |
| 152 | S | 87.9 | Confident | 78 | Confident | 106 Ų | 106 | 58.2 Ų | 58.2 | 74% | 0.741 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86 | -8.3 | 177.9 | 60.3 | 0 | 0 | 0 | 0 | 113.6 | I150 | I150-S152 PolarHBondContact O-N 3.37Å; I150-S152 VanDerWaalsContact O-N 3.14Å |
| 153 | V | 91.5 | Very high | 78.8 | Confident | 18 Ų | 18 | 55.7 Ų | 55.7 | 11% | 0.109 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 133.8 | -177.5 | -175.8 | 0 | 0 | 0 | 0 | 110.1 | G48 Y149 I150 I155 L194 V196 | G48-V153 WeakPolarHBondContact O-CG1 3.42Å; Y149-V153 WeakPolarHBondContact CA-O 3.33Å; I150-V153 PolarHBondContact N-O 3.31Å; I150-V153 WeakPolarHBondContact O-CA 3.34Å; I150-V153 VanDerWaalsContact O-CB 3.31Å; I150-V153 WeakPolarHBondContact O-CB 3.3Å; I150-V153 PolarHBondContact O-N 2.93Å; V153-I155 HydrophobicContact CG1-CD1 4.2Å; V153-I155 HydrophobicContact CG1-CG1 3.83Å; V153-L194 HydrophobicContact CG1-CD1 4.09Å; V153-V196 HydrophobicContact CG2-CG1 4.05Å; V153-V196 HydrophobicContact CG2-CG2 3.86Å |
| 154 | R | 90.9 | Very high | 78.6 | Confident | 128 Ų | 128 | 50.5 Ų | 50.5 | 48% | 0.483 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 115.7 | -179.5 | -178.6 | -172.3 | 178.3 | -159 | 2.6 | 110.1 | H147 Y149 | H147-R154 HydrophobicContact CB-CG 3.63Å; H147-R154 VanDerWaalsContact CD2-CG 3.49Å; H147-R154 WeakPolarHBondContact CD2-CG 3.32Å; H147-R154 PolarHBondContact CD2-NE 2.85Å; H147-R154 VanDerWaalsContact CE1-CZ 3.49Å; H147-R154 PolarHBondContact CE1-NH2 3.1Å; H147-R154 PolarHBondContact ND1-NE 2.83Å; H147-R154 PolarHBondContact ND1-NH2 3.06Å; H147-R154 VanDerWaalsContact ND1-NH2 3.18Å; H147-R154 PolarHBondContact NE2-NE 2.84Å; H147-R154 PolarHBondContact NE2-NH2 2.95Å; Y149-R154 HydrophobicContact CD1-CB 4.25Å; Y149-R154 HydrophobicContact CD1-CG 4.19Å; Y149-R154 HydrophobicContact CE1-CB 4.13Å; Y149-R154 HydrophobicContact CE1-CG 3.69Å |
| 155 | I | 89.1 | Confident | 78.3 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 124.9 | -173.5 | -45.3 | 178.3 | 0 | 0 | 0 | 110.1 | I50 H147 L148 I150 V153 R157 L160 L194 V245 Y247 | I50-I155 HydrophobicContact CB-CD1 4.38Å; I50-I155 HydrophobicContact CD1-CD1 4.28Å; I50-I155 HydrophobicContact CG2-CG2 4.2Å; H147-I155 CarbonylContact C-O 3.57Å; H147-I155 WeakPolarHBondContact CA-O 3.33Å; L148-I155 HydrophobicContact CB-CB 4.47Å; L148-I155 PolarHBondContact N-O 2.8Å; L148-I155 PolarHBondContact O-N 3.43Å; I150-I155 HydrophobicContact CD1-CD1 4.15Å; V153-I155 HydrophobicContact CG1-CD1 4.2Å; V153-I155 HydrophobicContact CG1-CG1 3.83Å; I155-R157 PolarHBondContact O-N 3.1Å; I155-L160 HydrophobicContact CB-CD1 4.17Å; I155-L160 HydrophobicContact CG2-CD1 3.87Å; I155-L160 HydrophobicContact CG2-CD2 3.79Å; I155-L160 HydrophobicContact CG2-CG 4.22Å; I155-L194 HydrophobicContact CD1-CD1 3.94Å; I155-L194 HydrophobicContact CD1-CD2 4.37Å; I155-V245 HydrophobicContact CG2-CG1 4.06Å; I155-Y247 HydrophobicContact CG1-CE1 4.42Å; I155-Y247 HydrophobicContact CG2-CE1 4.36Å |
| 156 | P | 84.5 | Confident | 77.4 | Confident | 3 Ų | 3 | 54.3 Ų | 54.3 | 2% | 0.019 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.4 | 127.9 | 177.4 | -23.8 | 34.5 | 0 | 0 | 0 | 112.5 | D158 L160 | P156-D158 VanDerWaalsContact C-N 3.33Å; P156-D158 VanDerWaalsContact CB-OD1 3.28Å; P156-D158 WeakPolarHBondContact CB-OD1 3.37Å; P156-D158 PolarHBondContact O-N 3.07Å; P156-L160 WeakPolarHBondContact O-CG 3.3Å |
| 157 | R | 81.3 | Confident | 76 | Confident | 89 Ų | 89 | 55.5 Ų | 55.5 | 34% | 0.336 | 28% | 0.282 | S | S | . | . | G | 310 helix | trans | -74.5 | -20.6 | -174.9 | -62.7 | -168.8 | 100.8 | 108 | -4 | 114.2 | D145 S146 H147 L148 I155 K159 L160 G211 | D145-R157 WeakPolarHBondContact O-CD 3.21Å; S146-R157 PolarHBondContact O-N 2.83Å; H147-R157 PolarHBondContact O-NH1 2.88Å; L148-R157 HydrophobicContact CB-CG 4.27Å; I155-R157 PolarHBondContact O-N 3.1Å; R157-K159 PolarHBondContact O-N 2.96Å; R157-K159 VanDerWaalsContact O-N 3.07Å; R157-L160 PolarHBondContact O-N 2.87Å; R157-G211 PolarHBondContact NH2-O 3.46Å |
| 158 | D | 75.8 | Confident | 73.9 | Confident | 26 Ų | 26 | 65.8 Ų | 65.8 | 14% | 0.139 | 32% | 0.321 | C | S | . | . | G | 310 helix | trans | -62 | -22.6 | -171.6 | 67.6 | -48.1 | 0 | 0 | 0 | 113.7 | P156 S251 T254 | P156-D158 VanDerWaalsContact C-N 3.33Å; P156-D158 VanDerWaalsContact CB-OD1 3.28Å; P156-D158 WeakPolarHBondContact CB-OD1 3.37Å; P156-D158 PolarHBondContact O-N 3.07Å; D158-S251 WeakPolarHBondContact OD2-CB 3.36Å; D158-S251 PolarHBondContact OD2-OG 2.73Å; D158-T254 WeakPolarHBondContact CB-OG1 3.45Å |
| 159 | K | 80.4 | Confident | 71.8 | Confident | 81 Ų | 81 | 71.6 Ų | 71.6 | 35% | 0.352 | 35% | 0.345 | S | S | . | . | G | 310 helix | trans | -101.8 | -12.3 | 174.3 | -60.1 | -65.2 | -176.1 | 165.9 | 0 | 114.1 | L52 R157 R190 V243 V245 | L52-K159 HydrophobicContact CD2-CB 4.48Å; L52-K159 VanDerWaalsContact CD2-O 3.28Å; L52-K159 WeakPolarHBondContact CD2-O 3.37Å; R157-K159 PolarHBondContact O-N 2.96Å; R157-K159 VanDerWaalsContact O-N 3.07Å; K159-R190 VanDerWaalsContact C-NH1 3.27Å; K159-R190 WeakPolarHBondContact O-CD 3.46Å; K159-R190 PolarHBondContact O-NH1 2.97Å; K159-V243 HydrophobicContact CB-CG1 4.11Å; K159-V243 HydrophobicContact CD-CG1 4.32Å; K159-V245 HydrophobicContact CB-CG2 4.31Å |
| 160 | L | 85.4 | Confident | 69.7 | Low | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | -21.7 | -171.7 | -56.4 | -177.8 | 0 | 0 | 0 | 114.7 | I50 L52 L148 I155 P156 R157 R190 V208 N210 G211 | I50-L160 HydrophobicContact CD1-CD2 4Å; L52-L160 HydrophobicContact CD1-CD2 4.36Å; L52-L160 HydrophobicContact CD2-CD2 3.81Å; L148-L160 HydrophobicContact CB-CD1 3.71Å; L148-L160 HydrophobicContact CD2-CD1 3.71Å; L148-L160 HydrophobicContact CG-CD1 4.38Å; I155-L160 HydrophobicContact CB-CD1 4.17Å; I155-L160 HydrophobicContact CG2-CD1 3.87Å; I155-L160 HydrophobicContact CG2-CD2 3.79Å; I155-L160 HydrophobicContact CG2-CG 4.22Å; P156-L160 WeakPolarHBondContact O-CG 3.3Å; R157-L160 PolarHBondContact O-N 2.87Å; L160-R190 VanDerWaalsContact O-CB 3.3Å; L160-R190 WeakPolarHBondContact O-CB 3.39Å; L160-V208 HydrophobicContact CD1-CG1 4.4Å; L160-N210 CarbonylContact O-C 3.52Å; L160-N210 WeakPolarHBondContact O-CA 3.4Å; L160-G211 VanDerWaalsContact CB-CA 3.45Å; L160-G211 PolarHBondContact O-N 3.04Å; L160-G211 VanDerWaalsContact O-N 3.1Å |
| 161 | A | 79.2 | Confident | 67.4 | Low | 41 Ų | 41 | 72.2 Ų | 72.2 | 34% | 0.339 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -110.3 | 130.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | R190 | A161-R190 PolarHBondContact O-NH1 2.9Š|
| 162 | G | 62.7 | Low | 65.2 | Low | 10 Ų | 10 | 73.5 Ų | 73.5 | 10% | 0.103 | 36% | 0.361 | C | S | . | . | P | Polyproline II helix | trans | -66.8 | 141.7 | 167.1 | 0 | 0 | 0 | 0 | 0 | 111 | R188 | G162-R188 VanDerWaalsContact CA-O 3.24Å; G162-R188 WeakPolarHBondContact CA-O 3.24Å |
| 163 | R | 58.6 | Low | 63.1 | Low | 64 Ų | 64 | 75.5 Ų | 75.5 | 24% | 0.242 | 36% | 0.362 | C | S | . | . | P | Polyproline II helix | trans | -95.3 | 120.1 | 179.9 | -61.3 | 167 | -171.3 | -95.7 | -11.9 | 109.4 | R165 R188 E286 | R163-R165 PolarHBondContact O-N 3.42Å; R163-R188 PolarHBondContact O-NE 2.72Å; R163-R188 PolarHBondContact O-NH1 3.08Å; R163-R188 PolarHBondContact O-NH2 3.37Å; R163-E286 IonicContact CZ-OE1 2.6Å; R163-E286 IonicContact CZ-OE2 2.82Å; R163-E286 IonicContact NH1-OE1 3.07Å; R163-E286 PolarHBondContact NH1-OE1 2.6Å; R163-E286 IonicContact NH1-OE2 3.17Å; R163-E286 PolarHBondContact NH1-OE2 3.16Å |
| 164 | S | 46.8 | Very low | 60.8 | Low | 52 Ų | 52 | 78.1 Ų | 78.1 | 36% | 0.364 | 38% | 0.376 | S | S | . | . | P | Polyproline II helix | trans | -61.9 | 120.6 | 160.9 | -71.8 | 0 | 0 | 0 | 0 | 108 | P166 Y177 L182 | S164-P166 WeakPolarHBondContact O-CD 3.14Å; S164-Y177 VanDerWaalsContact CB-OH 3.29Å; S164-Y177 WeakPolarHBondContact CB-OH 3.29Å; S164-Y177 PolarHBondContact O-OH 3.46Å; S164-L182 VanDerWaalsContact OG-CD2 3.3Å; S164-L182 WeakPolarHBondContact OG-CD2 3.21Å |
| 165 | R | 45.8 | Very low | 58.4 | Low | 211 Ų | 211 | 77.6 Ų | 77.6 | 80% | 0.796 | 38% | 0.383 | S | S | * | . | trans | -76.8 | 109.4 | 171.1 | -86.9 | -179.2 | -171.6 | -163.5 | 4.5 | 105.2 | R163 G167 R188 | R163-R165 PolarHBondContact O-N 3.42Å; R165-G167 PolarHBondContact O-N 2.98Å; R165-G167 VanDerWaalsContact O-N 3.08Å; R165-R188 VanDerWaalsContact N-NH1 3.13Å | ||
| 166 | P | 43.7 | Very low | 56.1 | Low | 54 Ų | 54 | 80.9 Ų | 80.9 | 35% | 0.351 | 40% | 0.4 | S | S | . | . | trans | -66.6 | 115.5 | -177 | -4.7 | 18.3 | 0 | 0 | 0 | 108.9 | S164 S170 Y177 H281 | S164-P166 WeakPolarHBondContact O-CD 3.14Å; P166-S170 WeakPolarHBondContact CA-OG 3.45Å; P166-S170 WeakPolarHBondContact CB-OG 3.34Å; P166-Y177 WeakPolarHBondContact CA-OH 3.43Å; P166-Y177 HydrophobicContact CB-CE1 3.84Å; P166-Y177 WeakPolarHBondContact CB-OH 3.34Å; P166-Y177 HydrophobicContact CG-CE1 4.03Å; P166-Y177 VanDerWaalsContact CG-OH 3.26Å; P166-Y177 WeakPolarHBondContact CG-OH 3.5Å; P166-Y177 VanDerWaalsContact N-OH 3.11Å; P166-H281 VanDerWaalsContact CG-CE1 3.43Å; P166-H281 WeakPolarHBondContact CG-CE1 2.62Å; P166-H281 WeakPolarHBondContact CG-NE2 3.26Å | ||
| 167 | G | 43 | Very low | 54.3 | Low | 46 Ų | 46 | 82.5 Ų | 82.5 | 47% | 0.474 | 41% | 0.406 | S | S | . | . | trans | -61 | 158.3 | 155.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | R165 F169 S170 | R165-G167 PolarHBondContact O-N 2.98Å; R165-G167 VanDerWaalsContact O-N 3.08Å; G167-F169 PolarHBondContact O-N 3.27Å; G167-S170 PolarHBondContact N-OG 3.21Å; G167-S170 WeakPolarHBondContact O-CB 3.32Å; G167-S170 PolarHBondContact O-N 3.43Å; G167-S170 PolarHBondContact O-OG 2.83Å | ||
| 168 | R | 41.7 | Very low | 52.5 | Low | 223 Ų | 223 | 86.1 Ų | 86.1 | 84% | 0.842 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.6 | -19.1 | -173.6 | -157.6 | 174.5 | -175 | -176.3 | 0.7 | 115.1 | H171 | R168-H171 PolarHBondContact O-CE1 3.31Å; R168-H171 VanDerWaalsContact O-CE1 3.29Å |
| 169 | F | 44.3 | Very low | 51.4 | Low | 132 Ų | 132 | 88.9 Ų | 88.9 | 58% | 0.579 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -123.1 | 7.9 | -179.1 | -53.1 | -68.5 | 0 | 0 | 0 | 114.8 | G167 H171 I172 | G167-F169 PolarHBondContact O-N 3.27Å; F169-H171 VanDerWaalsContact C-N 3.26Å; F169-H171 PolarHBondContact O-N 2.82Å; F169-I172 HydrophobicContact CD1-CD1 4.26Å; F169-I172 WeakPolarHBondContact O-CB 3.38Å; F169-I172 PolarHBondContact O-N 3.32Å |
| 170 | S | 46.2 | Very low | 50.1 | Low | 23 Ų | 23 | 88.3 Ų | 88.3 | 16% | 0.161 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -63.3 | -27.8 | -174 | 51.5 | 0 | 0 | 0 | 0 | 114.4 | P166 G167 I172 Y177 | P166-S170 WeakPolarHBondContact CA-OG 3.45Å; P166-S170 WeakPolarHBondContact CB-OG 3.34Å; G167-S170 PolarHBondContact N-OG 3.21Å; G167-S170 WeakPolarHBondContact O-CB 3.32Å; G167-S170 PolarHBondContact O-N 3.43Å; G167-S170 PolarHBondContact O-OG 2.83Å; S170-I172 PolarHBondContact O-N 3.34Å; S170-Y177 WeakPolarHBondContact O-CD2 3.24Å |
| 171 | H | 44.9 | Very low | 49 | Very low | 122 Ų | 122 | 91.9 Ų | 91.9 | 57% | 0.565 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -69.9 | -12.1 | 173.6 | 61.6 | -78.7 | 0 | 0 | 0 | 114.3 | R168 F169 Y177 | R168-H171 PolarHBondContact O-CE1 3.31Å; R168-H171 VanDerWaalsContact O-CE1 3.29Å; F169-H171 VanDerWaalsContact C-N 3.26Å; F169-H171 PolarHBondContact O-N 2.82Å; H171-Y177 HydrophobicContact CB-CD1 4.43Å |
| 172 | I | 46.8 | Very low | 48.7 | Very low | 115 Ų | 115 | 91 Ų | 91 | 59% | 0.59 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -99 | -23.5 | -177.9 | -58.5 | 172.3 | 0 | 0 | 0 | 111.2 | F169 S170 | F169-I172 HydrophobicContact CD1-CD1 4.26Å; F169-I172 WeakPolarHBondContact O-CB 3.38Å; F169-I172 PolarHBondContact O-N 3.32Å; S170-I172 PolarHBondContact O-N 3.34Å |
| 173 | L | 42 | Very low | 49.7 | Very low | 147 Ų | 147 | 92.4 Ų | 92.4 | 77% | 0.77 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -109.5 | -4.5 | -165.3 | -69 | 173.6 | 0 | 0 | 0 | 115.1 | ||
| 174 | D | 44.8 | Very low | 50.9 | Low | 74 Ų | 74 | 89.6 Ų | 89.6 | 40% | 0.396 | 45% | 0.451 | S | S | . | . | trans | -140.2 | 117.8 | -175.1 | -150.4 | -15.6 | 0 | 0 | 0 | 111.2 | L176 Y177 | D174-L176 PolarHBondContact O-N 2.94Å; D174-L176 WeakPolarHBondContact OD1-CB 3.11Å; D174-L176 WeakPolarHBondContact OD1-CD1 2.99Å; D174-L176 WeakPolarHBondContact OD1-CG 2.96Å; D174-L176 PolarHBondContact OD1-N 3.41Å; D174-Y177 HydrophobicContact CB-CD2 4.2Å; D174-Y177 VanDerWaalsContact O-CB 3.25Å; D174-Y177 WeakPolarHBondContact O-CB 3.02Å; D174-Y177 PolarHBondContact O-N 3.39Å | ||
| 175 | D | 39.3 | Very low | 52.9 | Low | 116 Ų | 116 | 87.6 Ų | 87.6 | 62% | 0.62 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -20.8 | 171.9 | -81.4 | -39.7 | 0 | 0 | 0 | 111.3 | Y177 K178 | D175-Y177 PolarHBondContact O-N 2.86Å; D175-K178 WeakPolarHBondContact O-CB 3.46Å; D175-K178 PolarHBondContact O-N 3.32Å; D175-K178 VanDerWaalsContact O-N 3.1Å; D175-K178 WeakPolarHBondContact OD1-CE 3.26Å; D175-K178 IonicContact OD1-NZ 3.47Å; D175-K178 PolarHBondContact OD1-NZ 2.67Å |
| 176 | L | 42 | Very low | 54.9 | Low | 70 Ų | 70 | 78.6 Ų | 78.6 | 37% | 0.366 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -63.6 | -22.4 | 170.3 | -63.2 | 167.3 | 0 | 0 | 0 | 113 | D174 K178 T179 N180 P183 | D174-L176 PolarHBondContact O-N 2.94Å; D174-L176 WeakPolarHBondContact OD1-CB 3.11Å; D174-L176 WeakPolarHBondContact OD1-CD1 2.99Å; D174-L176 WeakPolarHBondContact OD1-CG 2.96Å; D174-L176 PolarHBondContact OD1-N 3.41Å; L176-K178 VanDerWaalsContact C-N 3.31Å; L176-T179 PolarHBondContact O-OG1 3.02Å; L176-N180 PolarHBondContact O-N 2.84Å; L176-N180 VanDerWaalsContact O-N 3.07Å; L176-P183 HydrophobicContact CD1-CG 3.66Å; L176-P183 HydrophobicContact CD2-CG 4.12Å |
| 177 | Y | 45.8 | Very low | 57 | Low | 37 Ų | 37 | 84 Ų | 84 | 15% | 0.145 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -73.2 | -23.2 | 174.1 | -112.8 | -89.1 | 0 | 0 | 0 | 113 | S164 P166 S170 H171 D174 D175 T179 | S164-Y177 VanDerWaalsContact CB-OH 3.29Å; S164-Y177 WeakPolarHBondContact CB-OH 3.29Å; S164-Y177 PolarHBondContact O-OH 3.46Å; P166-Y177 WeakPolarHBondContact CA-OH 3.43Å; P166-Y177 HydrophobicContact CB-CE1 3.84Å; P166-Y177 WeakPolarHBondContact CB-OH 3.34Å; P166-Y177 HydrophobicContact CG-CE1 4.03Å; P166-Y177 VanDerWaalsContact CG-OH 3.26Å; P166-Y177 WeakPolarHBondContact CG-OH 3.5Å; P166-Y177 VanDerWaalsContact N-OH 3.11Å; S170-Y177 WeakPolarHBondContact O-CD2 3.24Å; H171-Y177 HydrophobicContact CB-CD1 4.43Å; D174-Y177 HydrophobicContact CB-CD2 4.2Å; D174-Y177 VanDerWaalsContact O-CB 3.25Å; D174-Y177 WeakPolarHBondContact O-CB 3.02Å; D174-Y177 PolarHBondContact O-N 3.39Å; D175-Y177 PolarHBondContact O-N 2.86Å; Y177-T179 VanDerWaalsContact C-N 3.35Å |
| 178 | K | 43.8 | Very low | 59.2 | Low | 164 Ų | 164 | 84.7 Ų | 84.7 | 71% | 0.713 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -73.2 | -31.4 | 176.9 | -66.7 | 174.2 | -178.5 | 159.2 | 0 | 111.5 | D175 L176 | D175-K178 WeakPolarHBondContact O-CB 3.46Å; D175-K178 PolarHBondContact O-N 3.32Å; D175-K178 VanDerWaalsContact O-N 3.1Å; D175-K178 WeakPolarHBondContact OD1-CE 3.26Å; D175-K178 IonicContact OD1-NZ 3.47Å; D175-K178 PolarHBondContact OD1-NZ 2.67Å; L176-K178 VanDerWaalsContact C-N 3.31Å |
| 179 | T | 52.5 | Low | 61.5 | Low | 84 Ų | 84 | 74 Ų | 74 | 52% | 0.515 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -99.6 | -13.6 | -177.8 | 61.1 | 0 | 0 | 0 | 0 | 113.9 | L176 Y177 V181 | L176-T179 PolarHBondContact O-OG1 3.02Å; Y177-T179 VanDerWaalsContact C-N 3.35Å; T179-V181 WeakPolarHBondContact O-CG2 3.48Å; T179-V181 PolarHBondContact O-N 2.93Å |
| 180 | N | 53.1 | Low | 63.8 | Low | 69 Ų | 69 | 69.1 Ų | 69.1 | 37% | 0.369 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.7 | 15.9 | -174.5 | -82.9 | -33.1 | 0 | 0 | 0 | 114.6 | L176 Y285 | L176-N180 PolarHBondContact O-N 2.84Å; L176-N180 VanDerWaalsContact O-N 3.07Å; N180-Y285 PolarHBondContact ND2-O 3.25Å |
| 181 | V | 62.6 | Low | 66.2 | Low | 76 Ų | 76 | 68 Ų | 68 | 46% | 0.461 | 34% | 0.339 | S | S | . | . | trans | -103.2 | 112.7 | -179.3 | -177 | 0 | 0 | 0 | 0 | 109.4 | T179 | T179-V181 WeakPolarHBondContact O-CG2 3.48Å; T179-V181 PolarHBondContact O-N 2.93Å | ||
| 182 | L | 72.8 | Confident | 68.7 | Low | 21 Ų | 21 | 62.2 Ų | 62.2 | 11% | 0.11 | 31% | 0.313 | C | S | . | . | trans | -65.1 | 139.1 | 169.1 | -77.2 | 172.8 | 0 | 0 | 0 | 109.7 | S164 R188 N210 | S164-L182 VanDerWaalsContact OG-CD2 3.3Å; S164-L182 WeakPolarHBondContact OG-CD2 3.21Å; L182-R188 HydrophobicContact CD1-CB 4.08Å; L182-N210 PolarHBondContact O-ND2 2.96Å | ||
| 183 | P | 82.8 | Confident | 71.2 | Confident | 41 Ų | 41 | 56.8 Ų | 56.8 | 27% | 0.266 | 29% | 0.285 | S | S | . | . | trans | -56.3 | 140.9 | 169.7 | -23 | 31.8 | 0 | 0 | 0 | 110.3 | L176 T185 A186 S189 | L176-P183 HydrophobicContact CD1-CG 3.66Å; L176-P183 HydrophobicContact CD2-CG 4.12Å; P183-T185 PolarHBondContact O-N 3.39Å; P183-A186 HydrophobicContact CB-CB 4.11Å; P183-A186 HydrophobicContact CG-CB 4.21Å; P183-A186 VanDerWaalsContact O-CB 3.32Å; P183-A186 WeakPolarHBondContact O-CB 3.32Å; P183-A186 PolarHBondContact O-N 2.82Å; P183-S189 PolarHBondContact O-OG 3.13Å | ||
| 184 | P | 85.6 | Confident | 73.8 | Confident | 4 Ų | 4 | 49.8 Ų | 49.8 | 3% | 0.026 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -48.5 | -31.8 | -171.8 | -37.7 | 40.6 | 0 | 0 | 0 | 117.2 | I100 H104 S189 I209 | I100-P184 HydrophobicContact CG2-CB 3.78Å; H104-P184 WeakPolarHBondContact CE1-CG 3.49Å; H104-P184 WeakPolarHBondContact NE2-CG 3.35Å; P184-S189 VanDerWaalsContact O-CB 3.24Å; P184-S189 WeakPolarHBondContact O-CB 3.25Å; P184-I209 HydrophobicContact CB-CD1 4.48Å; P184-I209 HydrophobicContact CB-CG2 3.89Å; P184-I209 HydrophobicContact CG-CG2 4.11Å |
| 185 | T | 87.3 | Confident | 76.4 | Confident | 10 Ų | 10 | 47 Ų | 47 | 6% | 0.061 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -113.8 | 14.4 | -175.6 | 55.9 | 0 | 0 | 0 | 0 | 112.7 | K58 I100 P183 | K58-T185 WeakPolarHBondContact CD-O 3.41Å; K58-T185 WeakPolarHBondContact CE-O 3.47Å; K58-T185 PolarHBondContact NZ-O 3.21Å; I100-T185 HydrophobicContact CB-CG2 4.23Å; I100-T185 HydrophobicContact CG2-CG2 3.86Å; I100-T185 WeakPolarHBondContact O-CG2 3.45Å; P183-T185 PolarHBondContact O-N 3.39Å |
| 186 | A | 87.6 | Confident | 79.1 | Confident | 23 Ų | 23 | 41.5 Ų | 41.5 | 19% | 0.19 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -72.2 | 157.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | P183 R188 S189 | P183-A186 HydrophobicContact CB-CB 4.11Å; P183-A186 HydrophobicContact CG-CB 4.21Å; P183-A186 VanDerWaalsContact O-CB 3.32Å; P183-A186 WeakPolarHBondContact O-CB 3.32Å; P183-A186 PolarHBondContact O-N 2.82Å; A186-R188 PolarHBondContact O-N 3.29Å; A186-S189 PolarHBondContact N-OG 2.93Å; A186-S189 WeakPolarHBondContact O-CB 3.22Å; A186-S189 PolarHBondContact O-N 2.83Å; A186-S189 PolarHBondContact O-OG 3Å |
| 187 | R | 88.6 | Confident | 81.7 | Confident | 168 Ų | 168 | 41.1 Ų | 41.1 | 63% | 0.634 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | 138.9 | 167.6 | -168.1 | -172.5 | 177.3 | -163.4 | -0.4 | 108.8 | E56 S189 | E56-R187 WeakPolarHBondContact O-CG 3.49Å; E56-R187 PolarHBondContact O-NE 3.22Å; R187-S189 PolarHBondContact O-N 2.95Å |
| 188 | R | 88.8 | Confident | 84 | Confident | 59 Ų | 59 | 43.8 Ų | 43.8 | 22% | 0.223 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 73.2 | -1.1 | -175.5 | -45 | -175.3 | 70.5 | -168.7 | -12.7 | 115.2 | I55 G162 R163 R165 L182 A186 | I55-R188 WeakPolarHBondContact O-CA 3.03Å; I55-R188 PolarHBondContact O-N 2.87Å; G162-R188 VanDerWaalsContact CA-O 3.24Å; G162-R188 WeakPolarHBondContact CA-O 3.24Å; R163-R188 PolarHBondContact O-NE 2.72Å; R163-R188 PolarHBondContact O-NH1 3.08Å; R163-R188 PolarHBondContact O-NH2 3.37Å; R165-R188 VanDerWaalsContact N-NH1 3.13Å; L182-R188 HydrophobicContact CD1-CB 4.08Å; A186-R188 PolarHBondContact O-N 3.29Å |
| 189 | S | 90.8 | Very high | 86.3 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.204 | C | C | . | . | trans | -62.1 | 143.7 | 170.9 | -51.7 | 0 | 0 | 0 | 0 | 109.6 | E54 I55 P183 P184 A186 R187 N210 | E54-S189 WeakPolarHBondContact CA-O 3.49Å; I55-S189 PolarHBondContact N-O 3.44Å; P183-S189 PolarHBondContact O-OG 3.13Å; P184-S189 VanDerWaalsContact O-CB 3.24Å; P184-S189 WeakPolarHBondContact O-CB 3.25Å; A186-S189 PolarHBondContact N-OG 2.93Å; A186-S189 WeakPolarHBondContact O-CB 3.22Å; A186-S189 PolarHBondContact O-N 2.83Å; A186-S189 PolarHBondContact O-OG 3Å; R187-S189 PolarHBondContact O-N 2.95Å; S189-N210 WeakPolarHBondContact CA-OD1 3.25Å | ||
| 190 | R | 93.2 | Very high | 88.1 | Confident | 29 Ų | 29 | 45.7 Ų | 45.7 | 11% | 0.109 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 127.6 | 178.7 | -67.7 | -174.3 | -177.4 | 169 | -0.5 | 109.9 | L52 I53 E54 K159 L160 A161 N210 | L52-R190 HydrophobicContact CD1-CB 4.1Å; I53-R190 CarbonylContact O-C 3.51Å; I53-R190 WeakPolarHBondContact O-CA 3.11Å; E54-R190 HydrophobicContact CB-CG 4.05Å; E54-R190 HydrophobicContact CG-CG 4.17Å; E54-R190 IonicContact OE2-CZ 3.77Å; E54-R190 IonicContact OE2-NE 2.56Å; E54-R190 PolarHBondContact OE2-NE 3.23Å; E54-R190 IonicContact OE2-NH2 2.72Å; E54-R190 PolarHBondContact OE2-NH2 2.87Å; K159-R190 VanDerWaalsContact C-NH1 3.27Å; K159-R190 WeakPolarHBondContact O-CD 3.46Å; K159-R190 PolarHBondContact O-NH1 2.97Å; L160-R190 VanDerWaalsContact O-CB 3.3Å; L160-R190 WeakPolarHBondContact O-CB 3.39Å; A161-R190 PolarHBondContact O-NH1 2.9Å; R190-N210 PolarHBondContact N-OD1 3.26Å; R190-N210 PolarHBondContact O-N 3Å |
| 191 | I | 96 | Very high | 90 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 125.6 | -177.3 | -56.2 | 87 | 0 | 0 | 0 | 106.5 | I53 I55 L66 I68 I100 I207 V208 | I53-I191 HydrophobicContact CG1-CB 4.36Å; I53-I191 WeakPolarHBondContact CG1-O 3.24Å; I53-I191 PolarHBondContact N-O 2.81Å; I53-I191 PolarHBondContact O-N 3.08Å; I55-I191 HydrophobicContact CD1-CD1 3.7Å; I55-I191 HydrophobicContact CG1-CD1 3.87Å; L66-I191 HydrophobicContact CD2-CB 4.36Å; L66-I191 HydrophobicContact CD2-CD1 3.88Å; L66-I191 HydrophobicContact CD2-CG1 4.16Å; I68-I191 HydrophobicContact CB-CG2 4.46Å; I68-I191 HydrophobicContact CD1-CG2 3.9Å; I68-I191 HydrophobicContact CG2-CG2 3.85Å; I100-I191 HydrophobicContact CD1-CG2 3.93Å; I100-I191 HydrophobicContact CG1-CG2 3.99Å; I100-I191 HydrophobicContact CG2-CG1 4.38Å; I191-I207 HydrophobicContact CG2-CG2 4.28Å; I191-V208 CarbonylContact C-O 3.44Å; I191-V208 WeakPolarHBondContact CA-O 3.39Å |
| 192 | G | 97 | Very high | 91.7 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 153.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112 | F51 I207 V208 | F51-G192 WeakPolarHBondContact O-CA 3.42Å; G192-I207 CarbonylContact O-C 3.48Å; G192-I207 WeakPolarHBondContact O-CA 3.46Å; G192-V208 PolarHBondContact N-O 2.82Å; G192-V208 PolarHBondContact O-N 2.98Å |
| 193 | V | 98.3 | Very high | 92.8 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 140.5 | 171.6 | 65 | 0 | 0 | 0 | 0 | 109.3 | I50 F51 I68 L70 M205 H206 A229 | I50-V193 WeakPolarHBondContact CA-O 3.03Å; F51-V193 HydrophobicContact CB-CG1 4.17Å; F51-V193 PolarHBondContact N-O 2.85Å; F51-V193 PolarHBondContact O-N 3.06Å; F51-V193 VanDerWaalsContact O-N 3.08Å; I68-V193 HydrophobicContact CD1-CB 4.05Å; I68-V193 HydrophobicContact CD1-CG1 3.96Å; I68-V193 HydrophobicContact CG1-CB 4.06Å; I68-V193 HydrophobicContact CG1-CG1 3.92Å; L70-V193 HydrophobicContact CD1-CG2 4.43Å; L70-V193 HydrophobicContact CD2-CG1 4.09Å; L70-V193 HydrophobicContact CD2-CG2 3.92Å; L70-V193 HydrophobicContact CG-CG2 3.79Å; V193-M205 HydrophobicContact CG2-CG 3.8Å; V193-M205 HydrophobicContact CG2-SD 3.88Å; V193-H206 WeakPolarHBondContact CA-O 3.16Å; V193-A229 HydrophobicContact CG1-CB 4.07Å |
| 194 | L | 98.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 169.9 | 173.3 | 68.3 | 154.2 | 0 | 0 | 0 | 109.8 | I50 I150 V153 I155 V196 M205 H206 V208 | I50-L194 HydrophobicContact CB-CB 4.35Å; I50-L194 HydrophobicContact CD1-CD2 4.31Å; I50-L194 HydrophobicContact CG1-CB 4.46Å; I50-L194 HydrophobicContact CG1-CD2 4.15Å; I150-L194 HydrophobicContact CD1-CD1 4.26Å; I150-L194 HydrophobicContact CD1-CD2 3.91Å; V153-L194 HydrophobicContact CG1-CD1 4.09Å; I155-L194 HydrophobicContact CD1-CD1 3.94Å; I155-L194 HydrophobicContact CD1-CD2 4.37Å; L194-V196 HydrophobicContact CD1-CG2 4.18Å; L194-M205 WeakPolarHBondContact O-CA 3.24Å; L194-H206 HydrophobicContact CD2-CB 3.93Å; L194-H206 HydrophobicContact CG-CB 4.22Å; L194-H206 PolarHBondContact N-O 2.86Å; L194-H206 VanDerWaalsContact N-O 3.08Å; L194-H206 PolarHBondContact O-N 3.34Å; L194-V208 HydrophobicContact CD2-CG2 3.77Å |
| 195 | Y | 98.1 | Very high | 94.1 | Very high | 16 Ų | 16 | 42.6 Ų | 42.6 | 6% | 0.063 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 147.4 | 166.7 | 67.8 | -85.1 | 0 | 0 | 0 | 111.5 | L45 P47 G48 L70 A203 D204 L227 | L45-Y195 HydrophobicContact CB-CE1 3.93Å; L45-Y195 WeakPolarHBondContact O-CE1 3.17Å; L45-Y195 PolarHBondContact O-OH 2.89Å; P47-Y195 HydrophobicContact CB-CE2 3.97Å; P47-Y195 VanDerWaalsContact CD-OH 3.25Å; P47-Y195 WeakPolarHBondContact CD-OH 3.22Å; P47-Y195 HydrophobicContact CG-CE2 3.85Å; P47-Y195 VanDerWaalsContact N-OH 3.17Å; G48-Y195 PolarHBondContact N-O 2.91Å; L70-Y195 HydrophobicContact CD1-CD1 3.98Å; L70-Y195 HydrophobicContact CD1-CG 4.28Å; Y195-A203 HydrophobicContact CD2-CB 3.73Å; Y195-A203 HydrophobicContact CG-CB 4.42Å; Y195-D204 CarbonylContact C-O 3.44Å; Y195-D204 VanDerWaalsContact CA-O 3.23Å; Y195-D204 WeakPolarHBondContact CA-O 3.17Å; Y195-L227 HydrophobicContact CD1-CB 4.29Å; Y195-L227 HydrophobicContact CD1-CD1 3.84Å; Y195-L227 HydrophobicContact CD2-CD1 4.09Å; Y195-L227 HydrophobicContact CE1-CB 4.06Å; Y195-L227 HydrophobicContact CE1-CD1 4.05Å; Y195-L227 HydrophobicContact CE2-CD1 4.29Å; Y195-L227 HydrophobicContact CG-CD1 3.85Å |
| 196 | V | 97.1 | Very high | 94.6 | Very high | 1 Ų | 1 | 42.2 Ų | 42.2 | 1% | 0.006 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 120 | 179.9 | -173 | 0 | 0 | 0 | 0 | 109.1 | I150 D151 V153 L194 K198 A203 D204 | I150-V196 HydrophobicContact CG2-CG2 3.95Å; D151-V196 HydrophobicContact CB-CG1 4.04Å; D151-V196 WeakPolarHBondContact OD2-CG1 3.32Å; V153-V196 HydrophobicContact CG2-CG1 4.05Å; V153-V196 HydrophobicContact CG2-CG2 3.86Å; L194-V196 HydrophobicContact CD1-CG2 4.18Å; V196-K198 PolarHBondContact O-N 2.99Å; V196-A203 CarbonylContact O-C 3.5Å; V196-A203 WeakPolarHBondContact O-CA 3.21Å; V196-A203 VanDerWaalsContact O-CB 3.3Å; V196-A203 WeakPolarHBondContact O-CB 3Å; V196-D204 PolarHBondContact N-O 3.18Å; V196-D204 PolarHBondContact O-N 2.79Å |
| 197 | P | 95.8 | Very high | 95 | Very high | 62 Ų | 62 | 41.2 Ų | 41.2 | 40% | 0.403 | 19% | 0.189 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.4 | 132.5 | 177.2 | -23.4 | 33.8 | 0 | 0 | 0 | 111.9 | P47 | P47-P197 HydrophobicContact CB-CG 3.57Å; P47-P197 HydrophobicContact CG-CG 4.19Å |
| 198 | K | 95.1 | Very high | 95.3 | Very high | 93 Ų | 93 | 33.2 Ų | 33.2 | 40% | 0.404 | 16% | 0.159 | S | C | . | . | trans | -109.7 | -32.5 | 174.1 | -65.1 | -57.8 | -163.5 | 179.7 | 0 | 112.1 | D151 V196 T202 D204 | D151-K198 IonicContact OD1-NZ 2.72Å; D151-K198 PolarHBondContact OD1-NZ 2.79Å; D151-K198 VanDerWaalsContact OD1-NZ 3.08Å; D151-K198 IonicContact OD2-NZ 2.74Å; D151-K198 PolarHBondContact OD2-NZ 2.69Å; V196-K198 PolarHBondContact O-N 2.99Å; K198-T202 PolarHBondContact N-O 3.39Å; K198-D204 VanDerWaalsContact CE-CG 3.42Å; K198-D204 WeakPolarHBondContact CE-OD2 3.45Å; K198-D204 HydrophobicContact CG-CB 4.13Å; K198-D204 IonicContact NZ-OD2 3.3Å | ||
| 199 | S | 92.1 | Very high | 95.5 | Very high | 63 Ų | 63 | 30.8 Ų | 30.8 | 44% | 0.441 | 15% | 0.15 | S | C | . | . | S | Bend | trans | -139.7 | -170 | 174.2 | 81.9 | 0 | 0 | 0 | 0 | 110.8 | D201 T202 | S199-D201 PolarHBondContact O-N 2.77Å; S199-D201 PolarHBondContact OG-N 3.41Å; S199-T202 WeakPolarHBondContact CB-OG1 3.28Å; S199-T202 PolarHBondContact N-O 2.78Å; S199-T202 PolarHBondContact OG-N 3.33Å; S199-T202 PolarHBondContact OG-OG1 2.65Å |
| 200 | R | 89.5 | Confident | 95.4 | Very high | 225 Ų | 225 | 31.9 Ų | 31.9 | 85% | 0.849 | 16% | 0.156 | S | C | * | . | S | Bend | trans | -59.1 | -37.4 | 177 | -173.9 | -179.7 | -179.2 | 179.7 | -1 | 112.5 | ||
| 201 | D | 93.6 | Very high | 95.1 | Very high | 82 Ų | 82 | 30.8 Ų | 30.8 | 44% | 0.439 | 15% | 0.154 | S | C | . | . | S | Bend | trans | -125.2 | 2 | -169.4 | -58.1 | -58.7 | 0 | 0 | 0 | 113 | S199 P222 S223 | S199-D201 PolarHBondContact O-N 2.77Å; S199-D201 PolarHBondContact OG-N 3.41Å; D201-P222 WeakPolarHBondContact O-CA 3.24Å; D201-S223 PolarHBondContact O-N 2.7Å; D201-S223 PolarHBondContact O-OG 3.03Å |
| 202 | T | 96.9 | Very high | 94.8 | Very high | 47 Ų | 47 | 34.4 Ų | 34.4 | 29% | 0.288 | 17% | 0.171 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 146.7 | 179.7 | 67.2 | 0 | 0 | 0 | 0 | 113.1 | K198 S199 I221 S223 | K198-T202 PolarHBondContact N-O 3.39Å; S199-T202 WeakPolarHBondContact CB-OG1 3.28Å; S199-T202 PolarHBondContact N-O 2.78Å; S199-T202 PolarHBondContact OG-N 3.33Å; S199-T202 PolarHBondContact OG-OG1 2.65Å; T202-I221 CarbonylContact C-O 3.45Å; T202-I221 VanDerWaalsContact CA-O 3.32Å; T202-I221 WeakPolarHBondContact CA-O 3.4Å; T202-S223 PolarHBondContact N-OG 3.17Å; T202-S223 VanDerWaalsContact N-OG 3.16Å |
| 203 | A | 97.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 163.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y195 V196 G220 I221 | Y195-A203 HydrophobicContact CD2-CB 3.73Å; Y195-A203 HydrophobicContact CG-CB 4.42Å; V196-A203 CarbonylContact O-C 3.5Å; V196-A203 WeakPolarHBondContact O-CA 3.21Å; V196-A203 VanDerWaalsContact O-CB 3.3Å; V196-A203 WeakPolarHBondContact O-CB 3Å; A203-G220 CarbonylContact O-C 3.57Å; A203-G220 WeakPolarHBondContact O-CA 3.3Å; A203-G220 PolarHBondContact O-N 2.92Å; A203-G220 VanDerWaalsContact O-N 3.1Å; A203-I221 HydrophobicContact CB-CG1 4.16Å; A203-I221 PolarHBondContact N-O 2.83Å; A203-I221 VanDerWaalsContact O-CG1 3.23Å; A203-I221 WeakPolarHBondContact O-CG1 3.17Å; A203-I221 PolarHBondContact O-N 2.69Å |
| 204 | D | 97.8 | Very high | 94.3 | Very high | 16 Ų | 16 | 36.2 Ų | 36.2 | 9% | 0.086 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 134.6 | 168.3 | -72.8 | -0.1 | 0 | 0 | 0 | 109.2 | Y195 V196 K198 A216 A218 K219 G220 | Y195-D204 CarbonylContact C-O 3.44Å; Y195-D204 VanDerWaalsContact CA-O 3.23Å; Y195-D204 WeakPolarHBondContact CA-O 3.17Å; V196-D204 PolarHBondContact N-O 3.18Å; V196-D204 PolarHBondContact O-N 2.79Å; K198-D204 VanDerWaalsContact CE-CG 3.42Å; K198-D204 WeakPolarHBondContact CE-OD2 3.45Å; K198-D204 HydrophobicContact CG-CB 4.13Å; K198-D204 IonicContact NZ-OD2 3.3Å; D204-A216 HydrophobicContact CB-CB 3.95Å; D204-A218 CarbonylContact C-O 3.49Å; D204-A218 WeakPolarHBondContact CA-O 3.16Å; D204-K219 VanDerWaalsContact OD1-CA 3.23Å; D204-K219 WeakPolarHBondContact OD1-CA 3.5Å; D204-G220 PolarHBondContact OD1-N 2.79Å |
| 205 | M | 97.7 | Very high | 94 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 130.5 | 174.6 | -175.8 | -178.3 | 79.1 | 0 | 0 | 110.1 | L70 W96 F98 V193 L194 A216 S217 A218 I221 | L70-M205 HydrophobicContact CB-SD 3.81Å; L70-M205 HydrophobicContact CD1-CB 4.13Å; L70-M205 HydrophobicContact CD1-CG 3.6Å; L70-M205 HydrophobicContact CD1-SD 3.84Å; L70-M205 HydrophobicContact CG-CG 3.92Å; L70-M205 HydrophobicContact CG-SD 3.56Å; L70-M205 VanDerWaalsContact CG-SD 3.56Å; W96-M205 HydrophobicContact CB-CE 3.96Å; W96-M205 HydrophobicContact CB-SD 4.03Å; W96-M205 WeakPolarHBondContact O-CE 3.45Å; F98-M205 HydrophobicContact CD2-CE 3.47Å; F98-M205 VanDerWaalsContact CD2-CE 3.47Å; F98-M205 HydrophobicContact CE2-CE 3.31Å; V193-M205 HydrophobicContact CG2-CG 3.8Å; V193-M205 HydrophobicContact CG2-SD 3.88Å; L194-M205 WeakPolarHBondContact O-CA 3.24Å; M205-A216 CarbonylContact O-C 3.54Å; M205-A216 WeakPolarHBondContact O-CA 3.33Å; M205-S217 PolarHBondContact O-N 2.76Å; M205-A218 HydrophobicContact CB-CB 4.18Å; M205-A218 HydrophobicContact CE-CB 4.12Å; M205-A218 PolarHBondContact N-O 2.85Å; M205-A218 PolarHBondContact O-N 3.43Å; M205-I221 HydrophobicContact CB-CD1 4.04Å |
| 206 | H | 97.3 | Very high | 93.8 | Very high | 2 Ų | 2 | 36.2 Ų | 36.2 | 1% | 0.009 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 144.1 | 177.4 | -71.9 | -115.1 | 0 | 0 | 0 | 110.5 | I150 V193 L194 D213 A216 | I150-H206 HydrophobicContact CD1-CB 4.41Å; I150-H206 HydrophobicContact CG2-CB 4.37Å; I150-H206 VanDerWaalsContact CG2-CE1 3.47Å; I150-H206 WeakPolarHBondContact CG2-CE1 3.43Å; I150-H206 VanDerWaalsContact CG2-ND1 3.29Å; I150-H206 WeakPolarHBondContact CG2-ND1 3.4Å; V193-H206 WeakPolarHBondContact CA-O 3.16Å; L194-H206 HydrophobicContact CD2-CB 3.93Å; L194-H206 HydrophobicContact CG-CB 4.22Å; L194-H206 PolarHBondContact N-O 2.86Å; L194-H206 VanDerWaalsContact N-O 3.08Å; L194-H206 PolarHBondContact O-N 3.34Å; H206-D213 IonicContact CE1-OD2 2.61Å; H206-D213 IonicContact CG-OD1 3.72Å; H206-D213 IonicContact ND1-OD1 2.63Å; H206-D213 PolarHBondContact ND1-OD1 3.42Å; H206-D213 VanDerWaalsContact ND1-OD1 3.17Å; H206-D213 IonicContact ND1-OD2 3.89Å; H206-D213 PolarHBondContact ND1-OD2 3.08Å; H206-A216 PolarHBondContact CE1-N 3.45Å |
| 207 | I | 96.5 | Very high | 93.7 | Very high | 3 Ų | 3 | 37 Ų | 37 | 2% | 0.015 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 129.6 | 171.1 | -65.6 | 175.7 | 0 | 0 | 0 | 107.6 | I68 F98 I100 I191 G192 I209 M214 | I68-I207 HydrophobicContact CG2-CD1 3.99Å; I68-I207 HydrophobicContact CG2-CG1 4.28Å; I68-I207 HydrophobicContact CG2-CG2 4.3Å; F98-I207 HydrophobicContact CB-CD1 3.82Å; F98-I207 HydrophobicContact CD2-CD1 4.19Å; F98-I207 HydrophobicContact CG-CD1 4.23Å; I100-I207 HydrophobicContact CD1-CD1 4.47Å; I100-I207 HydrophobicContact CD1-CG2 3.96Å; I191-I207 HydrophobicContact CG2-CG2 4.28Å; G192-I207 CarbonylContact O-C 3.48Å; G192-I207 WeakPolarHBondContact O-CA 3.46Å; I207-I209 HydrophobicContact CG2-CD1 4.37Å; I207-I209 HydrophobicContact CG2-CG1 4Å; I207-M214 HydrophobicContact CB-CB 4.49Å; I207-M214 HydrophobicContact CB-CG 4.49Å; I207-M214 HydrophobicContact CG2-CG 4.38Å; I207-M214 VanDerWaalsContact O-CB 3.24Å; I207-M214 WeakPolarHBondContact O-CB 3.49Å; I207-M214 VanDerWaalsContact O-CG 3.23Å; I207-M214 WeakPolarHBondContact O-CG 3.45Å; I207-M214 PolarHBondContact O-N 3.43Å |
| 208 | V | 94.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 128.2 | 175.9 | 178.1 | 0 | 0 | 0 | 0 | 108.7 | I50 L148 I150 L160 I191 G192 L194 E212 | I50-V208 HydrophobicContact CD1-CB 3.93Å; I50-V208 HydrophobicContact CD1-CG1 4.39Å; I50-V208 HydrophobicContact CD1-CG2 3.9Å; L148-V208 HydrophobicContact CD2-CG1 3.77Å; L148-V208 HydrophobicContact CD2-CG2 3.91Å; I150-V208 HydrophobicContact CD1-CG2 3.75Å; L160-V208 HydrophobicContact CD1-CG1 4.4Å; I191-V208 CarbonylContact C-O 3.44Å; I191-V208 WeakPolarHBondContact CA-O 3.39Å; G192-V208 PolarHBondContact N-O 2.82Å; G192-V208 PolarHBondContact O-N 2.98Å; L194-V208 HydrophobicContact CD2-CG2 3.77Å; V208-E212 CarbonylContact C-O 3.54Å; V208-E212 VanDerWaalsContact CA-O 3.27Å; V208-E212 WeakPolarHBondContact CA-O 3.46Å |
| 209 | I | 92.3 | Very high | 93.7 | Very high | 8 Ų | 8 | 36.4 Ų | 36.4 | 4% | 0.041 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 120.2 | 176.8 | -57.1 | 172.5 | 0 | 0 | 0 | 108.9 | I100 P184 I207 G211 E212 M214 | I100-I209 HydrophobicContact CD1-CD1 4.27Å; I100-I209 HydrophobicContact CG2-CD1 3.99Å; P184-I209 HydrophobicContact CB-CD1 4.48Å; P184-I209 HydrophobicContact CB-CG2 3.89Å; P184-I209 HydrophobicContact CG-CG2 4.11Å; I207-I209 HydrophobicContact CG2-CD1 4.37Å; I207-I209 HydrophobicContact CG2-CG1 4Å; I209-G211 PolarHBondContact O-N 3.19Å; I209-E212 PolarHBondContact N-O 2.7Å; I209-E212 PolarHBondContact O-N 3.24Å; I209-M214 HydrophobicContact CB-CE 4.29Å; I209-M214 HydrophobicContact CB-SD 4.46Å; I209-M214 HydrophobicContact CD1-CG 3.82Å; I209-M214 HydrophobicContact CD1-SD 3.83Å; I209-M214 HydrophobicContact CG1-CG 4Å; I209-M214 HydrophobicContact CG1-SD 4.3Å |
| 210 | N | 89.3 | Confident | 93.8 | Very high | 23 Ų | 23 | 35.4 Ų | 35.4 | 12% | 0.123 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 49 | 37.2 | 178.3 | -66.8 | -37 | 0 | 0 | 0 | 113.8 | L160 L182 S189 R190 | L160-N210 CarbonylContact O-C 3.52Å; L160-N210 WeakPolarHBondContact O-CA 3.4Å; L182-N210 PolarHBondContact O-ND2 2.96Å; S189-N210 WeakPolarHBondContact CA-OD1 3.25Å; R190-N210 PolarHBondContact N-OD1 3.26Å; R190-N210 PolarHBondContact O-N 3Å |
| 211 | G | 87.6 | Confident | 94.2 | Very high | 6 Ų | 6 | 24.8 Ų | 24.8 | 6% | 0.062 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 81.9 | 8.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | R157 L160 I209 | R157-G211 PolarHBondContact NH2-O 3.46Å; L160-G211 VanDerWaalsContact CB-CA 3.45Å; L160-G211 PolarHBondContact O-N 3.04Å; L160-G211 VanDerWaalsContact O-N 3.1Å; I209-G211 PolarHBondContact O-N 3.19Å |
| 212 | E | 88.9 | Confident | 94.3 | Very high | 76 Ų | 76 | 22.2 Ų | 22.2 | 36% | 0.355 | 13% | 0.131 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 133.3 | 168.5 | -169.8 | 179.8 | 171.7 | 0 | 0 | 109.9 | K106 V208 I209 M214 | K106-E212 IonicContact NZ-OE1 2.71Å; K106-E212 PolarHBondContact NZ-OE1 2.9Å; V208-E212 CarbonylContact C-O 3.54Å; V208-E212 VanDerWaalsContact CA-O 3.27Å; V208-E212 WeakPolarHBondContact CA-O 3.46Å; I209-E212 PolarHBondContact N-O 2.7Å; I209-E212 PolarHBondContact O-N 3.24Å; E212-M214 HydrophobicContact CB-CE 3.57Å; E212-M214 HydrophobicContact CG-CE 3.5Å; E212-M214 VanDerWaalsContact CG-CE 3.5Å; E212-M214 WeakPolarHBondContact O-CE 3.25Å |
| 213 | D | 92.3 | Very high | 94.2 | Very high | 35 Ų | 35 | 21.5 Ų | 21.5 | 19% | 0.187 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 130.6 | 169.8 | 179.3 | 26.8 | 0 | 0 | 0 | 109.8 | L148 I150 H206 G215 | L148-D213 HydrophobicContact CD1-CB 4.31Å; L148-D213 HydrophobicContact CD2-CB 4.4Å; I150-D213 HydrophobicContact CD1-CB 3.89Å; I150-D213 HydrophobicContact CG1-CB 3.94Å; H206-D213 IonicContact CE1-OD2 2.61Å; H206-D213 IonicContact CG-OD1 3.72Å; H206-D213 IonicContact ND1-OD1 2.63Å; H206-D213 PolarHBondContact ND1-OD1 3.42Å; H206-D213 VanDerWaalsContact ND1-OD1 3.17Å; H206-D213 IonicContact ND1-OD2 3.89Å; H206-D213 PolarHBondContact ND1-OD2 3.08Å; D213-G215 VanDerWaalsContact C-N 3.25Å; D213-G215 PolarHBondContact OD1-N 3.37Å |
| 214 | M | 91.5 | Very high | 93.9 | Very high | 3 Ų | 3 | 25.4 Ų | 25.4 | 2% | 0.015 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | -0.3 | 178.2 | -58.5 | -64.2 | 101.7 | 0 | 0 | 112.5 | H104 K106 V107 I207 I209 E212 | H104-M214 HydrophobicContact CB-SD 3.98Å; K106-M214 WeakPolarHBondContact CA-O 3.27Å; V107-M214 PolarHBondContact N-O 3.46Å; I207-M214 HydrophobicContact CB-CB 4.49Å; I207-M214 HydrophobicContact CB-CG 4.49Å; I207-M214 HydrophobicContact CG2-CG 4.38Å; I207-M214 VanDerWaalsContact O-CB 3.24Å; I207-M214 WeakPolarHBondContact O-CB 3.49Å; I207-M214 VanDerWaalsContact O-CG 3.23Å; I207-M214 WeakPolarHBondContact O-CG 3.45Å; I207-M214 PolarHBondContact O-N 3.43Å; I209-M214 HydrophobicContact CB-CE 4.29Å; I209-M214 HydrophobicContact CB-SD 4.46Å; I209-M214 HydrophobicContact CD1-CG 3.82Å; I209-M214 HydrophobicContact CD1-SD 3.83Å; I209-M214 HydrophobicContact CG1-CG 4Å; I209-M214 HydrophobicContact CG1-SD 4.3Å; E212-M214 HydrophobicContact CB-CE 3.57Å; E212-M214 HydrophobicContact CG-CE 3.5Å; E212-M214 VanDerWaalsContact CG-CE 3.5Å; E212-M214 WeakPolarHBondContact O-CE 3.25Å |
| 215 | G | 92.3 | Very high | 93.8 | Very high | 9 Ų | 9 | 29.7 Ų | 29.7 | 9% | 0.093 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 84.2 | -180 | -174.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | D213 S217 | D213-G215 VanDerWaalsContact C-N 3.25Å; D213-G215 PolarHBondContact OD1-N 3.37Å; G215-S217 VanDerWaalsContact C-N 3.35Å; G215-S217 PolarHBondContact O-N 3.42Å; G215-S217 PolarHBondContact O-OG 2.96Å |
| 216 | A | 94.4 | Very high | 93.7 | Very high | 7 Ų | 7 | 33.3 Ų | 33.3 | 6% | 0.058 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 89.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | D204 M205 H206 A218 K219 | D204-A216 HydrophobicContact CB-CB 3.95Å; M205-A216 CarbonylContact O-C 3.54Å; M205-A216 WeakPolarHBondContact O-CA 3.33Å; H206-A216 PolarHBondContact CE1-N 3.45Å; A216-A218 VanDerWaalsContact C-N 3.3Å; A216-A218 PolarHBondContact O-N 3.47Å; A216-K219 HydrophobicContact CB-CD 4.39Å; A216-K219 HydrophobicContact CB-CG 3.79Å |
| 217 | S | 93.9 | Very high | 93.8 | Very high | 16 Ų | 16 | 33.2 Ų | 33.2 | 11% | 0.112 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | -30.7 | -177.3 | -59 | 0 | 0 | 0 | 0 | 112.3 | F98 M205 G215 | F98-S217 WeakPolarHBondContact CZ-O 3.31Å; M205-S217 PolarHBondContact O-N 2.76Å; G215-S217 VanDerWaalsContact C-N 3.35Å; G215-S217 PolarHBondContact O-N 3.42Å; G215-S217 PolarHBondContact O-OG 2.96Å |
| 218 | A | 95.3 | Very high | 93.9 | Very high | 12 Ų | 12 | 34.1 Ų | 34.1 | 10% | 0.099 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 127.9 | 165.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | W96 F98 D204 M205 A216 I221 | W96-A218 HydrophobicContact CB-CB 4.11Å; W96-A218 HydrophobicContact CG-CB 4.1Å; F98-A218 HydrophobicContact CE2-CB 4.25Å; F98-A218 HydrophobicContact CZ-CB 4.35Å; D204-A218 CarbonylContact C-O 3.49Å; D204-A218 WeakPolarHBondContact CA-O 3.16Å; M205-A218 HydrophobicContact CB-CB 4.18Å; M205-A218 HydrophobicContact CE-CB 4.12Å; M205-A218 PolarHBondContact N-O 2.85Å; M205-A218 PolarHBondContact O-N 3.43Å; A216-A218 VanDerWaalsContact C-N 3.3Å; A216-A218 PolarHBondContact O-N 3.47Å; A218-I221 HydrophobicContact CB-CG2 3.85Å |
| 219 | K | 95.9 | Very high | 94.1 | Very high | 132 Ų | 132 | 34.1 Ų | 34.1 | 57% | 0.574 | 20% | 0.196 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 147.7 | -178.9 | -66 | -174.5 | 177.1 | -176.5 | 0 | 111.7 | D204 A216 I221 | D204-K219 VanDerWaalsContact OD1-CA 3.23Å; D204-K219 WeakPolarHBondContact OD1-CA 3.5Å; A216-K219 HydrophobicContact CB-CD 4.39Å; A216-K219 HydrophobicContact CB-CG 3.79Å; K219-I221 VanDerWaalsContact C-N 3.3Å; K219-I221 PolarHBondContact O-N 2.81Å |
| 220 | G | 95.6 | Very high | 94.4 | Very high | 42 Ų | 42 | 33.8 Ų | 33.8 | 43% | 0.433 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 66.6 | 27.6 | 171.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | A203 D204 | A203-G220 CarbonylContact O-C 3.57Å; A203-G220 WeakPolarHBondContact O-CA 3.3Å; A203-G220 PolarHBondContact O-N 2.92Å; A203-G220 VanDerWaalsContact O-N 3.1Å; D204-G220 PolarHBondContact OD1-N 2.79Å |
| 221 | I | 97.1 | Very high | 94.8 | Very high | 1 Ų | 1 | 32.7 Ų | 32.7 | 1% | 0.005 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 144.6 | 174.8 | 67.6 | 161.5 | 0 | 0 | 0 | 109.8 | L70 W96 T202 A203 M205 A218 K219 S223 L227 | L70-I221 HydrophobicContact CD1-CD1 3.88Å; W96-I221 HydrophobicContact CD2-CB 4.16Å; W96-I221 HydrophobicContact CD2-CG2 3.59Å; W96-I221 VanDerWaalsContact CE2-CG2 3.47Å; W96-I221 HydrophobicContact CE3-CB 4.33Å; W96-I221 HydrophobicContact CE3-CD1 4.41Å; W96-I221 HydrophobicContact CE3-CG2 4.2Å; W96-I221 HydrophobicContact CG-CG2 3.85Å; W96-I221 HydrophobicContact CH2-CB 4.23Å; W96-I221 HydrophobicContact CZ2-CB 4Å; W96-I221 HydrophobicContact CZ2-CG2 4.03Å; W96-I221 HydrophobicContact CZ3-CB 4.36Å; T202-I221 CarbonylContact C-O 3.45Å; T202-I221 VanDerWaalsContact CA-O 3.32Å; T202-I221 WeakPolarHBondContact CA-O 3.4Å; A203-I221 HydrophobicContact CB-CG1 4.16Å; A203-I221 PolarHBondContact N-O 2.83Å; A203-I221 VanDerWaalsContact O-CG1 3.23Å; A203-I221 WeakPolarHBondContact O-CG1 3.17Å; A203-I221 PolarHBondContact O-N 2.69Å; M205-I221 HydrophobicContact CB-CD1 4.04Å; A218-I221 HydrophobicContact CB-CG2 3.85Å; K219-I221 VanDerWaalsContact C-N 3.3Å; K219-I221 PolarHBondContact O-N 2.81Å; I221-S223 PolarHBondContact O-N 3.28Å; I221-L227 HydrophobicContact CD1-CD1 3.66Å; I221-L227 HydrophobicContact CG1-CD1 4.47Å |
| 222 | P | 95.8 | Very high | 95.3 | Very high | 29 Ų | 29 | 32.4 Ų | 32.4 | 19% | 0.188 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.1 | 124 | -179.9 | 26.4 | -34.4 | 0 | 0 | 0 | 110.9 | W96 D201 | W96-P222 HydrophobicContact CH2-CG 3.61Å; W96-P222 VanDerWaalsContact CZ2-CD 3.42Å; W96-P222 HydrophobicContact CZ2-CG 4.08Å; D201-P222 WeakPolarHBondContact O-CA 3.24Å |
| 223 | S | 94 | Very high | 95.8 | Very high | 31 Ų | 31 | 28.8 Ų | 28.8 | 22% | 0.217 | 17% | 0.169 | C | C | . | . | trans | -107.3 | 2.4 | 176.9 | 66.5 | 0 | 0 | 0 | 0 | 113.4 | D201 T202 I221 R225 | D201-S223 PolarHBondContact O-N 2.7Å; D201-S223 PolarHBondContact O-OG 3.03Å; T202-S223 PolarHBondContact N-OG 3.17Å; T202-S223 VanDerWaalsContact N-OG 3.16Å; I221-S223 PolarHBondContact O-N 3.28Å; S223-R225 VanDerWaalsContact C-N 3.28Å | ||
| 224 | S | 92.8 | Very high | 96 | Very high | 83 Ų | 83 | 28.1 Ų | 28.1 | 58% | 0.58 | 16% | 0.164 | S | C | * | . | S | Bend | trans | -76.9 | -15.9 | 175 | 56.4 | 0 | 0 | 0 | 0 | 113.1 | ||
| 225 | R | 93.9 | Very high | 96.1 | Very high | 105 Ų | 105 | 28 Ų | 28 | 40% | 0.396 | 16% | 0.164 | S | C | . | . | S | Bend | trans | -109.9 | 152.8 | 176 | -68.9 | -175.9 | -78.8 | 165 | -2.8 | 110.5 | A72 D94 S223 L227 | A72-R225 HydrophobicContact CB-CB 4.43Å; D94-R225 IonicContact OD1-CZ 3.77Å; D94-R225 IonicContact OD1-NH1 2.98Å; D94-R225 IonicContact OD1-NH2 3.22Å; D94-R225 PolarHBondContact OD1-NH2 2.92Å; D94-R225 IonicContact OD2-CZ 2.78Å; D94-R225 VanDerWaalsContact OD2-CZ 3.28Å; D94-R225 IonicContact OD2-NH1 3.84Å; D94-R225 PolarHBondContact OD2-NH1 2.84Å; D94-R225 IonicContact OD2-NH2 2.79Å; D94-R225 PolarHBondContact OD2-NH2 2.84Å; S223-R225 VanDerWaalsContact C-N 3.28Å; R225-L227 PolarHBondContact O-N 3.41Å |
| 226 | P | 96.9 | Very high | 96.1 | Very high | 76 Ų | 76 | 28.1 Ų | 28.1 | 49% | 0.494 | 16% | 0.164 | S | C | . | . | trans | -59.9 | 134.3 | 173.8 | -20.2 | 32.1 | 0 | 0 | 0 | 111.2 | P44 Y228 | P44-P226 HydrophobicContact CB-CB 3.59Å; P44-P226 HydrophobicContact CG-CB 4.03Å; P226-Y228 HydrophobicContact CB-CE2 4.07Å | ||
| 227 | L | 98.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 16% | 0.162 | C | C | . | . | trans | -111.2 | 129.8 | 178 | -66.2 | 172.6 | 0 | 0 | 0 | 110 | P44 L45 L70 T71 A72 W96 Y195 I221 R225 | P44-L227 CarbonylContact C-O 3.53Å; P44-L227 VanDerWaalsContact CA-O 3.25Å; P44-L227 WeakPolarHBondContact CA-O 3.29Å; L45-L227 PolarHBondContact N-O 3.04Å; L70-L227 HydrophobicContact CD1-CD1 4.37Å; T71-L227 CarbonylContact O-C 3.5Å; T71-L227 WeakPolarHBondContact O-CA 3.46Å; A72-L227 HydrophobicContact CB-CD2 3.9Å; W96-L227 HydrophobicContact CZ3-CD2 3.96Å; Y195-L227 HydrophobicContact CD1-CB 4.29Å; Y195-L227 HydrophobicContact CD1-CD1 3.84Å; Y195-L227 HydrophobicContact CD2-CD1 4.09Å; Y195-L227 HydrophobicContact CE1-CB 4.06Å; Y195-L227 HydrophobicContact CE1-CD1 4.05Å; Y195-L227 HydrophobicContact CE2-CD1 4.29Å; Y195-L227 HydrophobicContact CG-CD1 3.85Å; I221-L227 HydrophobicContact CD1-CD1 3.66Å; I221-L227 HydrophobicContact CG1-CD1 4.47Å; R225-L227 PolarHBondContact O-N 3.41Å | ||
| 228 | Y | 98.7 | Very high | 96.3 | Very high | 23 Ų | 23 | 28.6 Ų | 28.6 | 9% | 0.09 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 145.4 | 178.5 | -64.2 | -101.7 | 0 | 0 | 0 | 110.2 | S41 P44 L70 T71 W73 D74 P75 P226 | S41-Y228 WeakPolarHBondContact O-CD1 3.49Å; S41-Y228 WeakPolarHBondContact OG-CA 3.32Å; P44-Y228 HydrophobicContact CB-CD1 4.48Å; P44-Y228 HydrophobicContact CB-CD2 4.42Å; P44-Y228 HydrophobicContact CB-CE1 4.23Å; P44-Y228 HydrophobicContact CB-CE2 4.12Å; P44-Y228 HydrophobicContact CG-CE1 4.46Å; L70-Y228 CarbonylContact C-O 3.57Å; L70-Y228 VanDerWaalsContact CA-O 3.25Å; L70-Y228 WeakPolarHBondContact CA-O 3.21Å; T71-Y228 PolarHBondContact N-O 3.49Å; T71-Y228 PolarHBondContact O-N 2.58Å; W73-Y228 WeakPolarHBondContact O-CD2 3.42Å; D74-Y228 HydrophobicContact CB-CE2 4.4Å; D74-Y228 PolarHBondContact OD1-OH 3.47Å; P75-Y228 VanDerWaalsContact CD-CD1 3.44Å; P75-Y228 VanDerWaalsContact CD-CE1 3.43Å; P75-Y228 HydrophobicContact CG-CD1 3.68Å; P75-Y228 HydrophobicContact CG-CE1 4.07Å; P75-Y228 HydrophobicContact CG-CG 3.96Å; P226-Y228 HydrophobicContact CB-CE2 4.07Å |
| 229 | A | 98.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 142.8 | 170 | 0 | 0 | 0 | 0 | 0 | 110 | F40 S41 L45 F51 V193 | F40-A229 CarbonylContact C-O 3.58Å; F40-A229 WeakPolarHBondContact CA-O 3.35Å; S41-A229 PolarHBondContact N-O 2.95Å; S41-A229 PolarHBondContact OG-N 2.85Å; L45-A229 HydrophobicContact CD1-CB 4.1Å; L45-A229 HydrophobicContact CD2-CB 4.47Å; L45-A229 HydrophobicContact CG-CB 4.46Å; F51-A229 HydrophobicContact CB-CB 3.54Å; F51-A229 HydrophobicContact CD1-CB 3.54Å; F51-A229 HydrophobicContact CD2-CB 3.79Å; F51-A229 HydrophobicContact CE1-CB 4.14Å; F51-A229 HydrophobicContact CE2-CB 4.36Å; F51-A229 HydrophobicContact CG-CB 3.33Å; V193-A229 HydrophobicContact CG1-CB 4.07Å |
| 230 | V | 98.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 130.3 | 172.3 | -176.7 | 0 | 0 | 0 | 0 | 108.2 | I38 F40 I68 G69 T71 L89 V97 | I38-V230 HydrophobicContact CG2-CG1 4Å; F40-V230 HydrophobicContact CD1-CG2 3.94Å; F40-V230 HydrophobicContact CE1-CG1 4.37Å; F40-V230 HydrophobicContact CE1-CG2 3.99Å; I68-V230 CarbonylContact C-O 3.48Å; I68-V230 VanDerWaalsContact CA-O 3.29Å; I68-V230 WeakPolarHBondContact CA-O 3.43Å; I68-V230 VanDerWaalsContact CG1-O 3.32Å; I68-V230 WeakPolarHBondContact CG1-O 3.25Å; G69-V230 PolarHBondContact N-O 3.18Å; G69-V230 PolarHBondContact O-N 3.28Å; T71-V230 HydrophobicContact CG2-CG2 3.48Å; T71-V230 VanDerWaalsContact CG2-CG2 3.48Å; L89-V230 HydrophobicContact CD2-CG1 3.75Å; L89-V230 HydrophobicContact CD2-CG2 4.18Å; V97-V230 HydrophobicContact CG2-CB 4.21Å; V97-V230 HydrophobicContact CG2-CG1 4.06Å |
| 231 | V | 98.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 119.1 | 172.9 | -179.8 | 0 | 0 | 0 | 0 | 108.2 | F11 I38 C39 F51 I53 L66 I68 V233 V240 | F11-V231 HydrophobicContact CE1-CB 4.39Å; F11-V231 HydrophobicContact CE1-CG2 4.23Å; I38-V231 CarbonylContact C-O 3.56Å; I38-V231 WeakPolarHBondContact CA-O 3.39Å; C39-V231 HydrophobicContact CB-CB 4.5Å; C39-V231 PolarHBondContact N-O 2.8Å; C39-V231 PolarHBondContact O-N 2.82Å; F51-V231 HydrophobicContact CD1-CG2 4.26Å; F51-V231 HydrophobicContact CE1-CG2 3.89Å; I53-V231 HydrophobicContact CD1-CG1 3.67Å; I53-V231 HydrophobicContact CD1-CG2 4.29Å; I53-V231 HydrophobicContact CG2-CG2 4.25Å; L66-V231 HydrophobicContact CD1-CG1 3.96Å; I68-V231 HydrophobicContact CD1-CG2 4.38Å; I68-V231 HydrophobicContact CG1-CG2 4.19Å; V231-V233 HydrophobicContact CG1-CG2 4.35Å; V231-V240 HydrophobicContact CG1-CG2 4.26Å |
| 232 | D | 98.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 104.1 | 174.1 | -169 | -6.9 | 0 | 0 | 0 | 109.4 | I38 L66 R67 S85 F234 | I38-D232 HydrophobicContact CG1-CB 4.47Å; L66-D232 WeakPolarHBondContact CD1-O 3.3Å; R67-D232 HydrophobicContact CB-CB 3.93Å; R67-D232 HydrophobicContact CG-CB 4.45Å; R67-D232 PolarHBondContact N-O 3.38Å; R67-D232 IonicContact NH1-OD2 2.82Å; R67-D232 PolarHBondContact O-N 3.47Å; S85-D232 VanDerWaalsContact CB-OD2 3.3Å; S85-D232 WeakPolarHBondContact CB-OD2 3.42Å; S85-D232 PolarHBondContact N-OD2 3.09Å; S85-D232 VanDerWaalsContact N-OD2 3.1Å; S85-D232 VanDerWaalsContact OG-CB 3.31Å; S85-D232 WeakPolarHBondContact OG-CB 3.28Å; S85-D232 PolarHBondContact OG-OD2 3.31Å; D232-F234 PolarHBondContact O-N 3.16Å |
| 233 | V | 98 | Very high | 96.7 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 12% | 0.122 | C | C | . | . | trans | -73 | 75.1 | 177.3 | -171.2 | 0 | 0 | 0 | 0 | 109.2 | I19 R30 G37 V231 T237 K238 V240 | I19-V233 HydrophobicContact CD1-CB 3.92Å; I19-V233 HydrophobicContact CD1-CG2 3.96Å; R30-V233 HydrophobicContact CB-CB 4.49Å; R30-V233 HydrophobicContact CB-CG1 3.97Å; R30-V233 WeakPolarHBondContact CD-O 3.15Å; R30-V233 PolarHBondContact NH1-O 2.91Å; G37-V233 PolarHBondContact O-N 3.24Å; V231-V233 HydrophobicContact CG1-CG2 4.35Å; V233-T237 HydrophobicContact CG1-CG2 4.12Å; V233-K238 WeakPolarHBondContact CG1-O 3.35Å; V233-V240 HydrophobicContact CG2-CG1 4.47Å; V233-V240 HydrophobicContact CG2-CG2 3.73Å | ||
| 234 | F | 96.2 | Very high | 96.6 | Very high | 21 Ų | 21 | 23.7 Ų | 23.7 | 9% | 0.092 | 12% | 0.121 | C | C | . | . | trans | -103.9 | 146.2 | -166.4 | -174.7 | -105.8 | 0 | 0 | 0 | 113.5 | R30 F34 H65 Y84 D232 A236 T237 | R30-F234 VanDerWaalsContact NH1-C 3.26Å; F34-F234 AromaticContact CD2-CE2 3.66Å; F34-F234 HydrophobicContact CD2-CE2 3.66Å; F34-F234 AromaticContact CD2-CZ 3.92Å; F34-F234 HydrophobicContact CD2-CZ 3.92Å; F34-F234 HydrophobicContact CE2-CE2 4.08Å; F34-F234 HydrophobicContact CE2-CZ 4.24Å; F34-F234 WeakPolarHBondContact O-CD2 3.29Å; H65-F234 WeakPolarHBondContact O-CD1 3.4Å; Y84-F234 HydrophobicContact CD1-CD2 4.45Å; Y84-F234 AromaticContact CD1-CE2 3.84Å; Y84-F234 HydrophobicContact CD1-CE2 3.84Å; Y84-F234 AromaticContact CE1-CE2 3.81Å; Y84-F234 HydrophobicContact CE1-CE2 3.81Å; D232-F234 PolarHBondContact O-N 3.16Å; F234-A236 PolarHBondContact O-N 2.9Å; F234-T237 PolarHBondContact O-N 3.32Å; F234-T237 VanDerWaalsContact O-N 3.16Å | ||
| 235 | A | 93.9 | Very high | 96.4 | Very high | 1 Ų | 1 | 20.6 Ų | 20.6 | 1% | 0.008 | 10% | 0.099 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 48.6 | -118.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 114 | R30 F34 W62 T237 | R30-A235 VanDerWaalsContact CZ-O 3.3Å; R30-A235 PolarHBondContact NH1-O 3.3Å; R30-A235 PolarHBondContact NH2-O 2.76Å; F34-A235 PolarHBondContact O-N 3.08Å; W62-A235 HydrophobicContact CB-CB 4.33Å; A235-T237 PolarHBondContact O-N 3.19Å; A235-T237 VanDerWaalsContact O-N 3.09Å |
| 236 | A | 93.7 | Very high | 95.8 | Very high | 12 Ų | 12 | 22.4 Ų | 22.4 | 10% | 0.099 | 11% | 0.112 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -13 | -174 | 0 | 0 | 0 | 0 | 0 | 114.3 | K58 E59 F234 | K58-A236 CarbonylContact C-O 3.52Å; K58-A236 WeakPolarHBondContact CA-O 3.44Å; K58-A236 VanDerWaalsContact CB-O 3.3Å; K58-A236 WeakPolarHBondContact CB-O 3.4Å; E59-A236 PolarHBondContact N-O 2.73Å; F234-A236 PolarHBondContact O-N 2.9Å |
| 237 | T | 95.8 | Very high | 94.8 | Very high | 3 Ų | 3 | 23.3 Ų | 23.3 | 2% | 0.018 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 126.5 | 174.6 | -53.5 | 0 | 0 | 0 | 0 | 109.5 | R30 I55 L66 V233 F234 A235 V240 | R30-T237 PolarHBondContact NH1-O 2.98Å; I55-T237 HydrophobicContact CG2-CG2 4.26Å; L66-T237 HydrophobicContact CD1-CG2 4.1Å; V233-T237 HydrophobicContact CG1-CG2 4.12Å; F234-T237 PolarHBondContact O-N 3.32Å; F234-T237 VanDerWaalsContact O-N 3.16Å; A235-T237 PolarHBondContact O-N 3.19Å; A235-T237 VanDerWaalsContact O-N 3.09Å; T237-V240 HydrophobicContact CG2-CG1 3.73Å |
| 238 | K | 96.9 | Very high | 93.3 | Very high | 30 Ų | 30 | 26 Ų | 26 | 13% | 0.13 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | -47.5 | -178.2 | -173.9 | 59.9 | 163.7 | -174.8 | 0 | 112.4 | R30 V31 E57 E59 V233 | R30-K238 PolarHBondContact N-O 2.94Å; R30-K238 WeakPolarHBondContact O-CD 3.48Å; R30-K238 WeakPolarHBondContact O-CE 3.47Å; R30-K238 PolarHBondContact O-NZ 2.83Å; V31-K238 PolarHBondContact O-NZ 3.4Å; E57-K238 HydrophobicContact CB-CB 4.04Å; E57-K238 HydrophobicContact CB-CG 4.43Å; E57-K238 HydrophobicContact CG-CB 3.99Å; E57-K238 HydrophobicContact CG-CG 4.14Å; E57-K238 PolarHBondContact O-N 3.21Å; E59-K238 HydrophobicContact CB-CB 4.22Å; E59-K238 HydrophobicContact CB-CD 4.28Å; E59-K238 VanDerWaalsContact OE2-CD 3.28Å; E59-K238 WeakPolarHBondContact OE2-CD 3.3Å; E59-K238 WeakPolarHBondContact OE2-CE 3.25Å; E59-K238 IonicContact OE2-NZ 2.81Å; E59-K238 PolarHBondContact OE2-NZ 2.76Å; V233-K238 WeakPolarHBondContact CG1-O 3.35Å |
| 239 | T | 98.4 | Very high | 91.6 | Very high | 3 Ų | 3 | 33.5 Ų | 33.5 | 2% | 0.018 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 134.4 | -172.2 | -52.4 | 0 | 0 | 0 | 0 | 109.9 | Q27 A28 T29 E56 E57 | Q27-T239 HydrophobicContact CG-CG2 3.57Å; A28-T239 WeakPolarHBondContact O-CA 3.19Å; T29-T239 WeakPolarHBondContact OG1-CG2 3.17Å; E56-T239 HydrophobicContact CB-CG2 4.08Å; E56-T239 PolarHBondContact N-O 3.29Å; E57-T239 PolarHBondContact N-O 3.04Å; E57-T239 PolarHBondContact O-N 2.73Å; E57-T239 PolarHBondContact OE2-OG1 3.33Å |
| 240 | V | 98.5 | Very high | 90 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 149.4 | 173.7 | -62.3 | 0 | 0 | 0 | 0 | 110.3 | F11 Q27 A28 I53 E54 L66 V231 V233 T237 | F11-V240 HydrophobicContact CE2-CG2 4.41Å; F11-V240 HydrophobicContact CZ-CG2 3.91Å; Q27-V240 WeakPolarHBondContact CA-O 3.5Å; A28-V240 HydrophobicContact CB-CG2 4.06Å; A28-V240 PolarHBondContact N-O 3.1Å; A28-V240 PolarHBondContact O-N 3.02Å; I53-V240 HydrophobicContact CB-CB 4.48Å; I53-V240 HydrophobicContact CD1-CB 4.08Å; I53-V240 HydrophobicContact CD1-CG1 3.9Å; E54-V240 CarbonylContact O-C 3.52Å; E54-V240 VanDerWaalsContact O-CA 3.28Å; E54-V240 WeakPolarHBondContact O-CA 3.36Å; L66-V240 HydrophobicContact CD1-CG1 4.21Å; V231-V240 HydrophobicContact CG1-CG2 4.26Å; V233-V240 HydrophobicContact CG2-CG1 4.47Å; V233-V240 HydrophobicContact CG2-CG2 3.73Å; T237-V240 HydrophobicContact CG2-CG1 3.73Å |
| 241 | R | 98.1 | Very high | 88.6 | Confident | 71 Ų | 71 | 35.9 Ų | 35.9 | 27% | 0.268 | 18% | 0.184 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 136.6 | 174.5 | -178.9 | -179.3 | -60.7 | -75.9 | -5.4 | 111.4 | D22 T26 Q27 I53 E54 E56 V243 | D22-R241 IonicContact OD2-CZ 3.95Å; D22-R241 IonicContact OD2-NH1 3.08Å; D22-R241 PolarHBondContact OD2-NH1 2.8Å; D22-R241 IonicContact OD2-NH2 3.97Å; T26-R241 CarbonylContact O-C 3.58Å; T26-R241 VanDerWaalsContact O-CA 3.27Å; T26-R241 WeakPolarHBondContact O-CA 3.45Å; T26-R241 WeakPolarHBondContact O-CG 3.5Å; T26-R241 PolarHBondContact OG1-NH1 3.4Å; Q27-R241 VanDerWaalsContact CD-NH2 3.35Å; I53-R241 CarbonylContact C-O 3.35Å; I53-R241 VanDerWaalsContact CA-O 3.25Å; I53-R241 WeakPolarHBondContact CA-O 3.36Å; E54-R241 PolarHBondContact N-O 2.73Å; E54-R241 PolarHBondContact O-N 3.37Å; E56-R241 HydrophobicContact CG-CB 3.84Å; E56-R241 WeakPolarHBondContact OE1-CD 3.35Å; E56-R241 IonicContact OE1-CZ 3.98Å; E56-R241 IonicContact OE1-NE 3.79Å; E56-R241 PolarHBondContact OE1-NE 2.87Å; E56-R241 IonicContact OE1-NH2 3.65Å; E56-R241 IonicContact OE2-CZ 3.57Å; E56-R241 IonicContact OE2-NE 2.7Å; E56-R241 PolarHBondContact OE2-NE 3.48Å; E56-R241 IonicContact OE2-NH2 3.92Å; E56-R241 PolarHBondContact OE2-NH2 2.71Å; R241-V243 PolarHBondContact O-N 3.41Å |
| 242 | I | 97.6 | Very high | 87.2 | Confident | 8 Ų | 8 | 42.4 Ų | 42.4 | 4% | 0.041 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 129.1 | 171.4 | -61.7 | 172.6 | 0 | 0 | 0 | 109.9 | L9 F11 T26 F51 L52 I53 | L9-I242 HydrophobicContact CB-CG2 3.84Å; F11-I242 HydrophobicContact CD1-CD1 4.22Å; F11-I242 HydrophobicContact CD2-CD1 3.78Å; F11-I242 HydrophobicContact CD2-CG1 4.06Å; F11-I242 HydrophobicContact CE1-CD1 4.28Å; F11-I242 HydrophobicContact CE1-CG1 4.22Å; F11-I242 HydrophobicContact CE2-CD1 3.86Å; F11-I242 HydrophobicContact CE2-CG1 3.59Å; F11-I242 HydrophobicContact CG-CD1 3.98Å; F11-I242 HydrophobicContact CZ-CD1 4.1Å; F11-I242 HydrophobicContact CZ-CG1 3.67Å; T26-I242 PolarHBondContact O-N 3.2Å; F51-I242 HydrophobicContact CE1-CD1 4.33Å; F51-I242 HydrophobicContact CE1-CG1 4.16Å; F51-I242 HydrophobicContact CE2-CD1 3.81Å; F51-I242 HydrophobicContact CE2-CG1 4.36Å; F51-I242 HydrophobicContact CZ-CD1 3.42Å; F51-I242 VanDerWaalsContact CZ-CD1 3.42Å; F51-I242 HydrophobicContact CZ-CG1 3.72Å; L52-I242 CarbonylContact O-C 3.54Å; L52-I242 WeakPolarHBondContact O-CA 3.44Å; I53-I242 HydrophobicContact CG2-CG1 4.31Å |
| 243 | V | 93.7 | Very high | 85.8 | Confident | 18 Ų | 18 | 46.6 Ų | 46.6 | 11% | 0.109 | 24% | 0.238 | C | C | . | . | trans | -100.3 | 112.6 | 171.6 | 179.4 | 0 | 0 | 0 | 0 | 108 | L52 E54 K159 R241 V245 | L52-V243 HydrophobicContact CB-CB 4.41Å; L52-V243 HydrophobicContact CD2-CB 3.85Å; L52-V243 HydrophobicContact CD2-CG1 3.89Å; L52-V243 HydrophobicContact CG-CB 4.05Å; L52-V243 PolarHBondContact O-N 2.93Å; E54-V243 HydrophobicContact CB-CG2 3.75Å; K159-V243 HydrophobicContact CB-CG1 4.11Å; K159-V243 HydrophobicContact CD-CG1 4.32Å; R241-V243 PolarHBondContact O-N 3.41Å; V243-V245 PolarHBondContact O-N 2.91Å | ||
| 244 | Q | 91.7 | Very high | 84.4 | Confident | 43 Ų | 43 | 47.2 Ų | 47.2 | 20% | 0.201 | 24% | 0.241 | C | C | . | . | trans | -67 | 127.1 | 177.4 | -54.3 | -60.2 | -27.5 | 0 | 0 | 110.3 | F8 L9 | F8-Q244 HydrophobicContact CD1-CB 4.35Å; F8-Q244 HydrophobicContact CD1-CG 3.82Å; F8-Q244 HydrophobicContact CE1-CG 4.48Å; L9-Q244 PolarHBondContact O-NE2 2.89Å | ||
| 245 | V | 88.6 | Confident | 83.3 | Confident | 18 Ų | 18 | 50.6 Ų | 50.6 | 11% | 0.109 | 26% | 0.26 | C | S | . | . | trans | -108.5 | 115.8 | 177.2 | -178.8 | 0 | 0 | 0 | 0 | 108.6 | I50 L52 I155 K159 V243 Y247 | I50-V245 HydrophobicContact CG2-CB 4.09Å; I50-V245 HydrophobicContact CG2-CG1 4.29Å; I50-V245 HydrophobicContact CG2-CG2 3.72Å; L52-V245 HydrophobicContact CB-CG2 4.15Å; L52-V245 HydrophobicContact CD2-CG2 3.7Å; I155-V245 HydrophobicContact CG2-CG1 4.06Å; K159-V245 HydrophobicContact CB-CG2 4.31Å; V243-V245 PolarHBondContact O-N 2.91Å; V245-Y247 HydrophobicContact CB-CE2 4.26Å; V245-Y247 HydrophobicContact CG1-CE1 4.45Å; V245-Y247 HydrophobicContact CG1-CE2 4.08Å; V245-Y247 WeakPolarHBondContact O-CD2 3.43Å | ||
| 246 | E | 82.8 | Confident | 82.4 | Confident | 143 Ų | 143 | 53.4 Ų | 53.4 | 67% | 0.668 | 28% | 0.279 | S | S | * | . | trans | -89.9 | 109.9 | 178.6 | -69.5 | 169.9 | -152.9 | 0 | 0 | 109.9 | ||||
| 247 | Y | 76.4 | Confident | 81.4 | Confident | 96 Ų | 96 | 53.3 Ų | 53.3 | 38% | 0.376 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -79.8 | 129.2 | 176.9 | -63.7 | -92.1 | 0 | 0 | 0 | 110.5 | I50 I155 V245 | I50-Y247 WeakPolarHBondContact CG2-OH 3.49Å; I50-Y247 PolarHBondContact N-OH 2.78Å; I155-Y247 HydrophobicContact CG1-CE1 4.42Å; I155-Y247 HydrophobicContact CG2-CE1 4.36Å; V245-Y247 HydrophobicContact CB-CE2 4.26Å; V245-Y247 HydrophobicContact CG1-CE1 4.45Å; V245-Y247 HydrophobicContact CG1-CE2 4.08Å; V245-Y247 WeakPolarHBondContact O-CD2 3.43Å |
| 248 | G | 65.4 | Low | 80.3 | Confident | 56 Ų | 56 | 56.5 Ų | 56.5 | 58% | 0.577 | 29% | 0.29 | S | S | * | . | S | Bend | trans | 129.6 | -33.2 | 169.4 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 249 | F | 63.8 | Low | 79.4 | Confident | 180 Ų | 180 | 57.8 Ų | 57.8 | 79% | 0.789 | 31% | 0.306 | S | S | * | . | S | Bend | trans | -137.6 | 135.6 | -179.6 | -58.3 | -80.2 | 0 | 0 | 0 | 111.1 | ||
| 250 | S | 64.7 | Low | 78.4 | Confident | 17 Ų | 17 | 59.6 Ų | 59.6 | 12% | 0.119 | 32% | 0.315 | C | S | . | . | trans | -64.4 | 140.5 | 164.6 | -60.3 | 0 | 0 | 0 | 0 | 108.7 | H147 | H147-S250 PolarHBondContact CE1-OG 2.85Å; H147-S250 VanDerWaalsContact CE1-OG 3.31Å | ||
| 251 | S | 69.8 | Low | 77.1 | Confident | 34 Ų | 34 | 61.6 Ų | 61.6 | 24% | 0.238 | 32% | 0.324 | C | S | . | . | trans | -53.3 | 149.1 | 176.1 | 51.5 | 0 | 0 | 0 | 0 | 111.6 | D158 Q253 T254 L255 | D158-S251 WeakPolarHBondContact OD2-CB 3.36Å; D158-S251 PolarHBondContact OD2-OG 2.73Å; S251-Q253 PolarHBondContact O-N 2.77Å; S251-Q253 VanDerWaalsContact O-N 3.1Å; S251-T254 WeakPolarHBondContact O-CA 3.29Å; S251-T254 WeakPolarHBondContact O-CB 3.45Å; S251-T254 PolarHBondContact O-N 3.01Å; S251-T254 PolarHBondContact OG-OG1 3.18Å; S251-L255 PolarHBondContact O-N 2.74Å | ||
| 252 | L | 69.5 | Low | 76.2 | Confident | 136 Ų | 136 | 66.2 Ų | 66.2 | 71% | 0.712 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -49.9 | -39.8 | 175.4 | 177.5 | 62.4 | 0 | 0 | 0 | 111.1 | T254 L255 C256 | L252-T254 PolarHBondContact O-N 3.08Å; L252-L255 PolarHBondContact O-N 2.79Å; L252-C256 WeakPolarHBondContact O-CB 3.36Å; L252-C256 PolarHBondContact O-N 3.24Å; L252-C256 PolarHBondContact O-SG 2.85Å |
| 253 | Q | 68.3 | Low | 75.3 | Confident | 89 Ų | 89 | 73 Ų | 73 | 42% | 0.416 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -55.6 | -49.2 | 175.5 | -146.1 | -172.3 | 0.5 | 0 | 0 | 111.7 | S251 C256 R257 Y282 | S251-Q253 PolarHBondContact O-N 2.77Å; S251-Q253 VanDerWaalsContact O-N 3.1Å; Q253-C256 PolarHBondContact O-N 2.97Å; Q253-R257 PolarHBondContact O-N 2.97Å; Q253-Y282 VanDerWaalsContact C-OH 3.23Å; Q253-Y282 HydrophobicContact CB-CE1 4.26Å; Q253-Y282 HydrophobicContact CB-CE2 4.27Å; Q253-Y282 VanDerWaalsContact CD-CD2 3.46Å; Q253-Y282 VanDerWaalsContact CD-CZ 3.46Å; Q253-Y282 HydrophobicContact CG-CD1 4.19Å; Q253-Y282 HydrophobicContact CG-CD2 3.96Å; Q253-Y282 HydrophobicContact CG-CE1 3.63Å; Q253-Y282 HydrophobicContact CG-CE2 3.47Å; Q253-Y282 VanDerWaalsContact CG-CE2 3.47Å; Q253-Y282 HydrophobicContact CG-CG 4.4Å; Q253-Y282 WeakPolarHBondContact O-CE1 3.18Å; Q253-Y282 PolarHBondContact O-OH 2.63Å |
| 254 | T | 69.6 | Low | 74.4 | Confident | 13 Ų | 13 | 73.7 Ų | 73.7 | 8% | 0.08 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -63.7 | -42.9 | 178.5 | -57 | 0 | 0 | 0 | 0 | 111.5 | D158 S251 L252 R257 K258 Y282 | D158-T254 WeakPolarHBondContact CB-OG1 3.45Å; S251-T254 WeakPolarHBondContact O-CA 3.29Å; S251-T254 WeakPolarHBondContact O-CB 3.45Å; S251-T254 PolarHBondContact O-N 3.01Å; S251-T254 PolarHBondContact OG-OG1 3.18Å; L252-T254 PolarHBondContact O-N 3.08Å; T254-R257 PolarHBondContact O-N 2.92Å; T254-K258 PolarHBondContact O-N 2.71Å; T254-Y282 WeakPolarHBondContact CA-OH 3.47Å; T254-Y282 PolarHBondContact N-OH 3.34Å; T254-Y282 VanDerWaalsContact N-OH 3.16Å |
| 255 | L | 72.8 | Confident | 73.1 | Confident | 91 Ų | 91 | 77.8 Ų | 77.8 | 48% | 0.476 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -62.8 | -44.3 | 176.8 | -65.2 | 175.4 | 0 | 0 | 0 | 111.4 | S251 L252 K258 A259 | S251-L255 PolarHBondContact O-N 2.74Å; L252-L255 PolarHBondContact O-N 2.79Å; L255-K258 PolarHBondContact O-N 3.47Å; L255-A259 PolarHBondContact O-N 2.68Å |
| 256 | C | 73.3 | Confident | 72.2 | Confident | 61 Ų | 61 | 83.2 Ų | 83.2 | 41% | 0.412 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -61.2 | -45.5 | 176.3 | -72.3 | 0 | 0 | 0 | 0 | 112.1 | L252 Q253 K258 A259 I260 | L252-C256 WeakPolarHBondContact O-CB 3.36Å; L252-C256 PolarHBondContact O-N 3.24Å; L252-C256 PolarHBondContact O-SG 2.85Å; Q253-C256 PolarHBondContact O-N 2.97Å; C256-K258 PolarHBondContact O-N 2.96Å; C256-A259 PolarHBondContact O-N 3.3Å; C256-I260 VanDerWaalsContact O-CG1 3.3Å; C256-I260 WeakPolarHBondContact O-CG1 3.38Å; C256-I260 PolarHBondContact O-N 2.81Å |
| 257 | R | 74.3 | Confident | 71.4 | Confident | 10 Ų | 10 | 80.5 Ų | 80.5 | 4% | 0.038 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -56.8 | -49.1 | 174.3 | 158.7 | -158.7 | -54.5 | -76.9 | -1.5 | 111.5 | Q253 T254 A259 I260 Q261 Y282 E286 | Q253-R257 PolarHBondContact O-N 2.97Å; T254-R257 PolarHBondContact O-N 2.92Å; R257-A259 VanDerWaalsContact C-N 3.29Å; R257-A259 PolarHBondContact O-N 2.97Å; R257-I260 PolarHBondContact O-N 2.88Å; R257-I260 VanDerWaalsContact O-N 3.13Å; R257-Q261 HydrophobicContact CG-CG 4.22Å; R257-Q261 WeakPolarHBondContact O-CB 3.49Å; R257-Q261 WeakPolarHBondContact O-CG 3.27Å; R257-Q261 PolarHBondContact O-N 3.31Å; R257-Y282 HydrophobicContact CB-CD1 3.99Å; R257-Y282 HydrophobicContact CB-CE1 3.46Å; R257-Y282 VanDerWaalsContact CB-CE1 3.46Å; R257-Y282 HydrophobicContact CG-CE1 4.32Å; R257-Y282 VanDerWaalsContact NH1-C 3.32Å; R257-Y282 PolarHBondContact NH1-O 3.16Å; R257-Y282 PolarHBondContact NH2-O 3.08Å; R257-E286 PolarHBondContact NE-O 2.87Å; R257-E286 PolarHBondContact NH1-O 2.97Å; R257-E286 PolarHBondContact NH1-OXT 3.42Å; R257-E286 PolarHBondContact NH2-O 2.97Å; R257-E286 IonicContact NH2-OE2 3.68Å; R257-E286 PolarHBondContact NH2-OE2 3.08Å |
| 258 | K | 71.1 | Confident | 71.1 | Confident | 70 Ų | 70 | 81.2 Ų | 81.2 | 30% | 0.304 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -60.1 | -41.7 | -179.8 | -77.5 | -169.4 | 164.5 | -159.8 | 0 | 111.8 | T144 S146 T254 L255 C256 I260 K262 | T144-K258 VanDerWaalsContact O-CE 3.26Å; T144-K258 WeakPolarHBondContact O-CE 3.38Å; T144-K258 PolarHBondContact O-NZ 3.48Å; S146-K258 PolarHBondContact OG-NZ 2.83Å; T254-K258 PolarHBondContact O-N 2.71Å; L255-K258 PolarHBondContact O-N 3.47Å; C256-K258 PolarHBondContact O-N 2.96Å; K258-I260 VanDerWaalsContact C-N 3.35Å; K258-I260 PolarHBondContact O-N 2.9Å; K258-K262 WeakPolarHBondContact O-CB 3.4Å; K258-K262 PolarHBondContact O-N 3.08Å |
| 259 | A | 79.6 | Confident | 71.6 | Confident | 56 Ų | 56 | 80.5 Ų | 80.5 | 46% | 0.463 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -60.6 | -44.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | L255 C256 R257 H263 | L255-A259 PolarHBondContact O-N 2.68Å; C256-A259 PolarHBondContact O-N 3.3Å; R257-A259 VanDerWaalsContact C-N 3.29Å; R257-A259 PolarHBondContact O-N 2.97Å; A259-H263 PolarHBondContact O-CD2 3.48Å; A259-H263 VanDerWaalsContact O-CD2 3.23Å |
| 260 | I | 76.2 | Confident | 72.2 | Confident | 41 Ų | 41 | 72 Ų | 72 | 21% | 0.21 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -64.8 | -50 | 178.1 | -67.3 | 165.3 | 0 | 0 | 0 | 111 | C256 R257 K258 K262 H263 I264 L273 L275 C283 | C256-I260 VanDerWaalsContact O-CG1 3.3Å; C256-I260 WeakPolarHBondContact O-CG1 3.38Å; C256-I260 PolarHBondContact O-N 2.81Å; R257-I260 PolarHBondContact O-N 2.88Å; R257-I260 VanDerWaalsContact O-N 3.13Å; K258-I260 VanDerWaalsContact C-N 3.35Å; K258-I260 PolarHBondContact O-N 2.9Å; I260-K262 VanDerWaalsContact C-N 3.27Å; I260-K262 PolarHBondContact O-N 3.46Å; I260-H263 PolarHBondContact O-N 2.73Å; I260-I264 HydrophobicContact CG2-CD1 3.76Å; I260-I264 WeakPolarHBondContact O-CB 3.41Å; I260-I264 WeakPolarHBondContact O-CG1 3.42Å; I260-I264 PolarHBondContact O-N 2.87Å; I260-L273 HydrophobicContact CG2-CD1 3.82Å; I260-L275 HydrophobicContact CD1-CD1 3.85Å; I260-C283 VanDerWaalsContact CD1-SG 3.59Å |
| 261 | Q | 72.5 | Confident | 72.8 | Confident | 43 Ų | 43 | 74.4 Ų | 74.4 | 20% | 0.201 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -65.5 | -28 | -178.5 | -72.7 | 175.9 | -25.3 | 0 | 0 | 112.9 | R257 H263 I264 C283 | R257-Q261 HydrophobicContact CG-CG 4.22Å; R257-Q261 WeakPolarHBondContact O-CB 3.49Å; R257-Q261 WeakPolarHBondContact O-CG 3.27Å; R257-Q261 PolarHBondContact O-N 3.31Å; Q261-H263 PolarHBondContact O-N 2.65Å; Q261-I264 CarbonylContact O-C 3.47Å; Q261-I264 PolarHBondContact O-N 2.91Å; Q261-C283 PolarHBondContact NE2-O 2.8Å |
| 262 | K | 78.7 | Confident | 73.3 | Confident | 168 Ų | 168 | 83.3 Ų | 83.3 | 73% | 0.73 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -58.9 | -33 | 172.1 | -176.3 | 179.9 | 178.7 | -177.6 | 0 | 112.4 | K258 I260 | K258-K262 WeakPolarHBondContact O-CB 3.4Å; K258-K262 PolarHBondContact O-N 3.08Å; I260-K262 VanDerWaalsContact C-N 3.27Å; I260-K262 PolarHBondContact O-N 3.46Å |
| 263 | H | 77.8 | Confident | 73.9 | Confident | 149 Ų | 149 | 79 Ų | 79 | 69% | 0.69 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -101.5 | -11 | -178.3 | -65.8 | -69.2 | 0 | 0 | 0 | 113.1 | A259 I260 Q261 | A259-H263 PolarHBondContact O-CD2 3.48Å; A259-H263 VanDerWaalsContact O-CD2 3.23Å; I260-H263 PolarHBondContact O-N 2.73Å; Q261-H263 PolarHBondContact O-N 2.65Å |
| 264 | I | 74.9 | Confident | 74.8 | Confident | 33 Ų | 33 | 84.5 Ų | 84.5 | 17% | 0.169 | 42% | 0.418 | C | S | . | . | trans | -134.8 | 88 | -172.8 | -53.6 | 174.3 | 0 | 0 | 0 | 108.4 | I260 Q261 A269 I270 L273 | I260-I264 HydrophobicContact CG2-CD1 3.76Å; I260-I264 WeakPolarHBondContact O-CB 3.41Å; I260-I264 WeakPolarHBondContact O-CG1 3.42Å; I260-I264 PolarHBondContact O-N 2.87Å; Q261-I264 CarbonylContact O-C 3.47Å; Q261-I264 PolarHBondContact O-N 2.91Å; I264-A269 HydrophobicContact CG2-CB 3.57Å; I264-I270 HydrophobicContact CG2-CG1 3.86Å; I264-L273 HydrophobicContact CD1-CD1 3.31Å; I264-L273 HydrophobicContact CD1-CD2 3.45Å; I264-L273 VanDerWaalsContact CD1-CD2 3.45Å; I264-L273 HydrophobicContact CD1-CG 3.68Å | ||
| 265 | V | 65.2 | Low | 75.3 | Confident | 130 Ų | 130 | 86.2 Ų | 86.2 | 79% | 0.788 | 43% | 0.427 | S | S | * | . | trans | -74.5 | -29.9 | -171.9 | -167.3 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 266 | H | 68.8 | Low | 75.8 | Confident | 131 Ų | 131 | 85.8 Ų | 85.8 | 61% | 0.606 | 43% | 0.429 | S | S | * | . | S | Bend | trans | -97.1 | 123.5 | -177.3 | -146.6 | -87.7 | 0 | 0 | 0 | 111.5 | M268 A269 | H266-M268 PolarHBondContact O-N 2.85Å; H266-M268 VanDerWaalsContact O-N 3.12Å; H266-A269 HydrophobicContact CB-CB 4.25Å; H266-A269 WeakPolarHBondContact O-CA 3.37Å; H266-A269 VanDerWaalsContact O-CB 3.25Å; H266-A269 WeakPolarHBondContact O-CB 3.33Å; H266-A269 PolarHBondContact O-N 2.75Å |
| 267 | R | 65.6 | Low | 75.7 | Confident | 86 Ų | 86 | 89 Ų | 89 | 33% | 0.325 | 44% | 0.442 | S | S | . | . | G | 310 helix | trans | -55.6 | -33.9 | -178.9 | -175.1 | 167.8 | 149.3 | 167.6 | 112.8 | 113.5 | F142 A269 I270 K284 | F142-R267 HydrophobicContact CE1-CB 4.07Å; F142-R267 HydrophobicContact CZ-CB 4.25Å; R267-A269 VanDerWaalsContact C-N 3.31Å; R267-A269 PolarHBondContact O-N 2.97Å; R267-I270 WeakPolarHBondContact O-CB 3.48Å; R267-I270 PolarHBondContact O-N 2.82Å; R267-K284 WeakPolarHBondContact CD-O 3.47Å; R267-K284 HydrophobicContact CG-CB 3.9Å; R267-K284 HydrophobicContact CG-CG 3.79Å; R267-K284 PolarHBondContact NE-O 3Å; R267-K284 PolarHBondContact NH2-O 2.95Å; R267-K284 VanDerWaalsContact O-CE 3.24Å; R267-K284 WeakPolarHBondContact O-CE 3.28Å |
| 268 | M | 70.6 | Confident | 75.3 | Confident | 112 Ų | 112 | 92.2 Ų | 92.2 | 55% | 0.552 | 47% | 0.471 | S | S | * | . | G | 310 helix | trans | -67.3 | -30.5 | 175.1 | -61.2 | -104.3 | 68.7 | 0 | 0 | 112.5 | H266 I270 D271 W272 | H266-M268 PolarHBondContact O-N 2.85Å; H266-M268 VanDerWaalsContact O-N 3.12Å; M268-I270 PolarHBondContact O-N 2.76Å; M268-D271 WeakPolarHBondContact O-CB 3.44Å; M268-D271 PolarHBondContact O-N 3.28Å; M268-D271 VanDerWaalsContact O-N 3.15Å; M268-W272 VanDerWaalsContact O-CD1 3.22Å |
| 269 | A | 75.7 | Confident | 75.3 | Confident | 40 Ų | 40 | 92.3 Ų | 92.3 | 33% | 0.331 | 47% | 0.474 | S | S | . | . | G | 310 helix | trans | -67.7 | -18.4 | 179 | 0 | 0 | 0 | 0 | 0 | 112.5 | I264 H266 R267 D271 W272 | I264-A269 HydrophobicContact CG2-CB 3.57Å; H266-A269 HydrophobicContact CB-CB 4.25Å; H266-A269 WeakPolarHBondContact O-CA 3.37Å; H266-A269 VanDerWaalsContact O-CB 3.25Å; H266-A269 WeakPolarHBondContact O-CB 3.33Å; H266-A269 PolarHBondContact O-N 2.75Å; R267-A269 VanDerWaalsContact C-N 3.31Å; R267-A269 PolarHBondContact O-N 2.97Å; A269-D271 VanDerWaalsContact C-N 3.27Å; A269-D271 PolarHBondContact O-N 2.72Å; A269-W272 WeakPolarHBondContact O-CB 3.42Å; A269-W272 PolarHBondContact O-N 3.15Å |
| 270 | I | 77 | Confident | 74.9 | Confident | 3 Ų | 3 | 91.3 Ų | 91.3 | 2% | 0.015 | 46% | 0.459 | C | S | . | . | G | 310 helix | trans | -66.4 | -28.8 | 174.2 | -60.4 | 171.3 | 0 | 0 | 0 | 111.6 | I264 R267 M268 W272 L273 K280 C283 K284 | I264-I270 HydrophobicContact CG2-CG1 3.86Å; R267-I270 WeakPolarHBondContact O-CB 3.48Å; R267-I270 PolarHBondContact O-N 2.82Å; M268-I270 PolarHBondContact O-N 2.76Å; I270-W272 PolarHBondContact O-N 3.02Å; I270-L273 HydrophobicContact CB-CD1 4.47Å; I270-L273 HydrophobicContact CG2-CD1 4.11Å; I270-L273 WeakPolarHBondContact O-CB 3.42Å; I270-L273 PolarHBondContact O-N 3.4Å; I270-K280 HydrophobicContact CG2-CB 4.13Å; I270-K280 HydrophobicContact CG2-CG 4.34Å; I270-C283 HydrophobicContact CD1-CB 3.94Å; I270-C283 HydrophobicContact CG2-CB 4.03Å; I270-K284 HydrophobicContact CB-CD 4.41Å; I270-K284 HydrophobicContact CB-CG 3.82Å; I270-K284 HydrophobicContact CD1-CB 4.48Å; I270-K284 HydrophobicContact CD1-CG 3.72Å; I270-K284 HydrophobicContact CG1-CG 4.34Å; I270-K284 HydrophobicContact CG2-CD 4.34Å; I270-K284 HydrophobicContact CG2-CG 3.81Å |
| 271 | D | 77.5 | Confident | 74.6 | Confident | 66 Ų | 66 | 92 Ų | 92 | 35% | 0.353 | 46% | 0.462 | S | S | . | . | G | 310 helix | trans | -61.7 | -29.7 | 176.3 | -74.1 | -43.1 | 0 | 0 | 0 | 113 | M268 A269 L273 K280 K284 | M268-D271 WeakPolarHBondContact O-CB 3.44Å; M268-D271 PolarHBondContact O-N 3.28Å; M268-D271 VanDerWaalsContact O-N 3.15Å; A269-D271 VanDerWaalsContact C-N 3.27Å; A269-D271 PolarHBondContact O-N 2.72Å; D271-L273 VanDerWaalsContact C-N 3.26Å; D271-L273 PolarHBondContact O-N 3.25Å; D271-K280 WeakPolarHBondContact O-CE 3.21Å; D271-K280 PolarHBondContact O-NZ 2.91Å; D271-K284 WeakPolarHBondContact OD1-CE 3.47Å; D271-K284 IonicContact OD1-NZ 3.08Å; D271-K284 PolarHBondContact OD1-NZ 3.48Å; D271-K284 WeakPolarHBondContact OD2-CE 3.41Å; D271-K284 IonicContact OD2-NZ 2.9Å; D271-K284 PolarHBondContact OD2-NZ 2.81Å |
| 272 | W | 80.3 | Confident | 74.3 | Confident | 221 Ų | 221 | 90.3 Ų | 90.3 | 84% | 0.837 | 45% | 0.454 | S | S | * | . | G | 310 helix | trans | -82.9 | -6 | -175.5 | -58.4 | 81.4 | 0 | 0 | 0 | 112.7 | M268 A269 I270 | M268-W272 VanDerWaalsContact O-CD1 3.22Å; A269-W272 WeakPolarHBondContact O-CB 3.42Å; A269-W272 PolarHBondContact O-N 3.15Å; I270-W272 PolarHBondContact O-N 3.02Å |
| 273 | L | 82.4 | Confident | 73.8 | Confident | 47 Ų | 47 | 82.4 Ų | 82.4 | 25% | 0.246 | 42% | 0.42 | C | S | . | . | S | Bend | trans | -72.2 | 145.6 | 174.2 | -65.5 | 174 | 0 | 0 | 0 | 111.4 | I260 I264 I270 D271 L275 K280 | I260-L273 HydrophobicContact CG2-CD1 3.82Å; I264-L273 HydrophobicContact CD1-CD1 3.31Å; I264-L273 HydrophobicContact CD1-CD2 3.45Å; I264-L273 VanDerWaalsContact CD1-CD2 3.45Å; I264-L273 HydrophobicContact CD1-CG 3.68Å; I270-L273 HydrophobicContact CB-CD1 4.47Å; I270-L273 HydrophobicContact CG2-CD1 4.11Å; I270-L273 WeakPolarHBondContact O-CB 3.42Å; I270-L273 PolarHBondContact O-N 3.4Å; D271-L273 VanDerWaalsContact C-N 3.26Å; D271-L273 PolarHBondContact O-N 3.25Å; L273-L275 HydrophobicContact CB-CB 4.33Å; L273-L275 HydrophobicContact CB-CD1 4.1Å; L273-L275 HydrophobicContact CB-CG 3.93Å; L273-L275 HydrophobicContact CD1-CD1 3.63Å; L273-L275 HydrophobicContact CD1-CG 4.36Å; L273-L275 PolarHBondContact O-N 2.76Å; L273-K280 WeakPolarHBondContact O-CE 3.39Å; L273-K280 PolarHBondContact O-NZ 3.22Å |
| 274 | Q | 86.1 | Confident | 73.2 | Confident | 203 Ų | 203 | 76.1 Ų | 76.1 | 95% | 0.949 | 39% | 0.39 | S | S | * | . | S | Bend | trans | -82 | 52.4 | 169 | -62 | -164.5 | 14.7 | 0 | 0 | 111.1 | ||
| 275 | L | 80.1 | Confident | 72.5 | Confident | 50 Ų | 50 | 78 Ų | 78 | 26% | 0.262 | 40% | 0.396 | S | S | . | . | S | Bend | trans | -104.4 | 150.1 | 175.1 | -66.9 | 178 | 0 | 0 | 0 | 110.5 | I260 L273 L279 K280 | I260-L275 HydrophobicContact CD1-CD1 3.85Å; L273-L275 HydrophobicContact CB-CB 4.33Å; L273-L275 HydrophobicContact CB-CD1 4.1Å; L273-L275 HydrophobicContact CB-CG 3.93Å; L273-L275 HydrophobicContact CD1-CD1 3.63Å; L273-L275 HydrophobicContact CD1-CG 4.36Å; L273-L275 PolarHBondContact O-N 2.76Å; L275-L279 HydrophobicContact CB-CB 4.31Å; L275-K280 HydrophobicContact CB-CG 4.02Å; L275-K280 WeakPolarHBondContact O-CE 3.3Å |
| 276 | P | 83.3 | Confident | 72 | Confident | 82 Ų | 82 | 75.2 Ų | 75.2 | 53% | 0.532 | 37% | 0.374 | S | S | . | . | trans | -51.2 | 143.7 | 166 | -26 | 32.5 | 0 | 0 | 0 | 112.2 | A278 L279 K280 | P276-A278 PolarHBondContact O-N 3.03Å; P276-A278 VanDerWaalsContact O-N 3.13Å; P276-L279 HydrophobicContact CG-CD1 4.32Å; P276-L279 WeakPolarHBondContact O-CA 3.43Å; P276-L279 WeakPolarHBondContact O-CB 3.47Å; P276-L279 PolarHBondContact O-N 3.33Å; P276-K280 PolarHBondContact O-N 3.47Å | ||
| 277 | D | 72.9 | Confident | 72.2 | Confident | 127 Ų | 127 | 72.5 Ų | 72.5 | 68% | 0.679 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -56.5 | -34.4 | -177 | -69.5 | -34.9 | 0 | 0 | 0 | 113.1 | L279 K280 H281 | D277-L279 VanDerWaalsContact C-N 3.3Å; D277-L279 PolarHBondContact O-N 3.23Å; D277-K280 PolarHBondContact O-N 3.05Å; D277-H281 WeakPolarHBondContact O-CB 3.36Å; D277-H281 PolarHBondContact O-N 2.99Å |
| 278 | A | 65.2 | Low | 72.5 | Confident | 78 Ų | 78 | 71.7 Ų | 71.7 | 65% | 0.645 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -60.2 | -38.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | P276 Y282 | P276-A278 PolarHBondContact O-N 3.03Å; P276-A278 VanDerWaalsContact O-N 3.13Å; A278-Y282 VanDerWaalsContact O-CB 3.32Å; A278-Y282 WeakPolarHBondContact O-CB 3.44Å; A278-Y282 PolarHBondContact O-N 3.33Å |
| 279 | L | 70.6 | Confident | 72.6 | Confident | 72 Ų | 72 | 69.5 Ų | 69.5 | 38% | 0.377 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -79.1 | -33.7 | 177.9 | -70.9 | 179.9 | 0 | 0 | 0 | 112.3 | L275 P276 D277 Y282 C283 | L275-L279 HydrophobicContact CB-CB 4.31Å; P276-L279 HydrophobicContact CG-CD1 4.32Å; P276-L279 WeakPolarHBondContact O-CA 3.43Å; P276-L279 WeakPolarHBondContact O-CB 3.47Å; P276-L279 PolarHBondContact O-N 3.33Å; D277-L279 VanDerWaalsContact C-N 3.3Å; D277-L279 PolarHBondContact O-N 3.23Å; L279-Y282 WeakPolarHBondContact O-CB 3.38Å; L279-Y282 PolarHBondContact O-N 2.74Å; L279-C283 WeakPolarHBondContact O-CB 3.44Å; L279-C283 PolarHBondContact O-N 3.26Å; L279-C283 PolarHBondContact O-SG 3.31Å |
| 280 | K | 72.2 | Confident | 72.4 | Confident | 35 Ų | 35 | 71.2 Ų | 71.2 | 15% | 0.152 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -61.5 | -49 | 170.4 | -68.1 | 179.5 | 173.9 | 178.5 | 0 | 110.9 | I270 D271 L273 L275 P276 D277 Y282 C283 K284 | I270-K280 HydrophobicContact CG2-CB 4.13Å; I270-K280 HydrophobicContact CG2-CG 4.34Å; D271-K280 WeakPolarHBondContact O-CE 3.21Å; D271-K280 PolarHBondContact O-NZ 2.91Å; L273-K280 WeakPolarHBondContact O-CE 3.39Å; L273-K280 PolarHBondContact O-NZ 3.22Å; L275-K280 HydrophobicContact CB-CG 4.02Å; L275-K280 WeakPolarHBondContact O-CE 3.3Å; P276-K280 PolarHBondContact O-N 3.47Å; D277-K280 PolarHBondContact O-N 3.05Å; K280-Y282 VanDerWaalsContact C-N 3.32Å; K280-Y282 PolarHBondContact O-N 2.75Å; K280-C283 PolarHBondContact O-N 3.4Å; K280-K284 WeakPolarHBondContact O-CB 3.18Å; K280-K284 WeakPolarHBondContact O-CG 3.28Å; K280-K284 PolarHBondContact O-N 3.17Å |
| 281 | H | 68.8 | Low | 72.1 | Confident | 55 Ų | 55 | 75.5 Ų | 75.5 | 26% | 0.255 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -59.9 | -45.4 | 176.2 | -172 | -75.7 | 0 | 0 | 0 | 110.8 | P166 D277 K284 Y285 | P166-H281 VanDerWaalsContact CG-CE1 3.43Å; P166-H281 WeakPolarHBondContact CG-CE1 2.62Å; P166-H281 WeakPolarHBondContact CG-NE2 3.26Å; D277-H281 WeakPolarHBondContact O-CB 3.36Å; D277-H281 PolarHBondContact O-N 2.99Å; H281-K284 PolarHBondContact O-N 3.08Å; H281-Y285 HydrophobicContact CB-CD2 4.46Å; H281-Y285 AromaticContact CD2-CD2 3.46Å; H281-Y285 VanDerWaalsContact CD2-CD2 3.46Å; H281-Y285 WeakPolarHBondContact CD2-CD2 2.88Å; H281-Y285 AromaticContact CD2-CE2 3.72Å; H281-Y285 AromaticContact CE1-CD2 3.7Å; H281-Y285 AromaticContact CG-CD2 3.75Å; H281-Y285 AromaticContact ND1-CD2 3.9Å; H281-Y285 AromaticContact NE2-CD2 3.43Å; H281-Y285 WeakPolarHBondContact NE2-CD2 3.11Å; H281-Y285 AromaticContact NE2-CE2 3.94Å; H281-Y285 AromaticContact NE2-CG 3.99Å; H281-Y285 VanDerWaalsContact O-CD2 3.31Å; H281-Y285 WeakPolarHBondContact O-CD2 3.41Å; H281-Y285 PolarHBondContact O-N 3.49Å |
| 282 | Y | 66.6 | Low | 71.8 | Confident | 8 Ų | 8 | 76.1 Ų | 76.1 | 3% | 0.031 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -49.6 | -67.4 | 173 | -176.2 | -95.3 | 0 | 0 | 0 | 108.8 | Q253 T254 R257 A278 L279 K280 K284 Y285 E286 | Q253-Y282 VanDerWaalsContact C-OH 3.23Å; Q253-Y282 HydrophobicContact CB-CE1 4.26Å; Q253-Y282 HydrophobicContact CB-CE2 4.27Å; Q253-Y282 VanDerWaalsContact CD-CD2 3.46Å; Q253-Y282 VanDerWaalsContact CD-CZ 3.46Å; Q253-Y282 HydrophobicContact CG-CD1 4.19Å; Q253-Y282 HydrophobicContact CG-CD2 3.96Å; Q253-Y282 HydrophobicContact CG-CE1 3.63Å; Q253-Y282 HydrophobicContact CG-CE2 3.47Å; Q253-Y282 VanDerWaalsContact CG-CE2 3.47Å; Q253-Y282 HydrophobicContact CG-CG 4.4Å; Q253-Y282 WeakPolarHBondContact O-CE1 3.18Å; Q253-Y282 PolarHBondContact O-OH 2.63Å; T254-Y282 WeakPolarHBondContact CA-OH 3.47Å; T254-Y282 PolarHBondContact N-OH 3.34Å; T254-Y282 VanDerWaalsContact N-OH 3.16Å; R257-Y282 HydrophobicContact CB-CD1 3.99Å; R257-Y282 HydrophobicContact CB-CE1 3.46Å; R257-Y282 VanDerWaalsContact CB-CE1 3.46Å; R257-Y282 HydrophobicContact CG-CE1 4.32Å; R257-Y282 VanDerWaalsContact NH1-C 3.32Å; R257-Y282 PolarHBondContact NH1-O 3.16Å; R257-Y282 PolarHBondContact NH2-O 3.08Å; A278-Y282 VanDerWaalsContact O-CB 3.32Å; A278-Y282 WeakPolarHBondContact O-CB 3.44Å; A278-Y282 PolarHBondContact O-N 3.33Å; L279-Y282 WeakPolarHBondContact O-CB 3.38Å; L279-Y282 PolarHBondContact O-N 2.74Å; K280-Y282 VanDerWaalsContact C-N 3.32Å; K280-Y282 PolarHBondContact O-N 2.75Å; Y282-K284 PolarHBondContact O-N 3.16Å; Y282-Y285 PolarHBondContact O-N 3.5Å; Y282-E286 VanDerWaalsContact CA-OE2 3.26Å; Y282-E286 WeakPolarHBondContact CA-OE2 3.25Å; Y282-E286 WeakPolarHBondContact CD2-OE2 3.48Å; Y282-E286 WeakPolarHBondContact CE2-OE2 3.48Å; Y282-E286 VanDerWaalsContact CG-OE2 3.25Å; Y282-E286 PolarHBondContact O-N 3.18Å |
| 283 | C | 67.6 | Low | 71.2 | Confident | 3 Ų | 3 | 65.8 Ų | 65.8 | 2% | 0.02 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -56.8 | -26.8 | -174.3 | -62.1 | 0 | 0 | 0 | 0 | 115.1 | I260 Q261 I270 L279 K280 | I260-C283 VanDerWaalsContact CD1-SG 3.59Å; Q261-C283 PolarHBondContact NE2-O 2.8Å; I270-C283 HydrophobicContact CD1-CB 3.94Å; I270-C283 HydrophobicContact CG2-CB 4.03Å; L279-C283 WeakPolarHBondContact O-CB 3.44Å; L279-C283 PolarHBondContact O-N 3.26Å; L279-C283 PolarHBondContact O-SG 3.31Å; K280-C283 PolarHBondContact O-N 3.4Å |
| 284 | K | 65 | Low | 70.3 | Confident | 17 Ų | 17 | 67.2 Ų | 67.2 | 7% | 0.074 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -81.2 | -45.2 | 179.6 | -75.3 | 172.7 | 158.7 | -150.8 | 0 | 113.5 | R267 I270 D271 K280 H281 Y282 | R267-K284 WeakPolarHBondContact CD-O 3.47Å; R267-K284 HydrophobicContact CG-CB 3.9Å; R267-K284 HydrophobicContact CG-CG 3.79Å; R267-K284 PolarHBondContact NE-O 3Å; R267-K284 PolarHBondContact NH2-O 2.95Å; R267-K284 VanDerWaalsContact O-CE 3.24Å; R267-K284 WeakPolarHBondContact O-CE 3.28Å; I270-K284 HydrophobicContact CB-CD 4.41Å; I270-K284 HydrophobicContact CB-CG 3.82Å; I270-K284 HydrophobicContact CD1-CB 4.48Å; I270-K284 HydrophobicContact CD1-CG 3.72Å; I270-K284 HydrophobicContact CG1-CG 4.34Å; I270-K284 HydrophobicContact CG2-CD 4.34Å; I270-K284 HydrophobicContact CG2-CG 3.81Å; D271-K284 WeakPolarHBondContact OD1-CE 3.47Å; D271-K284 IonicContact OD1-NZ 3.08Å; D271-K284 PolarHBondContact OD1-NZ 3.48Å; D271-K284 WeakPolarHBondContact OD2-CE 3.41Å; D271-K284 IonicContact OD2-NZ 2.9Å; D271-K284 PolarHBondContact OD2-NZ 2.81Å; K280-K284 WeakPolarHBondContact O-CB 3.18Å; K280-K284 WeakPolarHBondContact O-CG 3.28Å; K280-K284 PolarHBondContact O-N 3.17Å; H281-K284 PolarHBondContact O-N 3.08Å; Y282-K284 PolarHBondContact O-N 3.16Å |
| 285 | Y | 61.2 | Low | 69 | Low | 73 Ų | 73 | 55.9 Ų | 55.9 | 29% | 0.286 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -115.8 | 5.7 | -159.1 | -60.6 | -79.6 | 0 | 0 | 0 | 114.2 | N180 H281 Y282 | N180-Y285 PolarHBondContact ND2-O 3.25Å; H281-Y285 HydrophobicContact CB-CD2 4.46Å; H281-Y285 AromaticContact CD2-CD2 3.46Å; H281-Y285 VanDerWaalsContact CD2-CD2 3.46Å; H281-Y285 WeakPolarHBondContact CD2-CD2 2.88Å; H281-Y285 AromaticContact CD2-CE2 3.72Å; H281-Y285 AromaticContact CE1-CD2 3.7Å; H281-Y285 AromaticContact CG-CD2 3.75Å; H281-Y285 AromaticContact ND1-CD2 3.9Å; H281-Y285 AromaticContact NE2-CD2 3.43Å; H281-Y285 WeakPolarHBondContact NE2-CD2 3.11Å; H281-Y285 AromaticContact NE2-CE2 3.94Å; H281-Y285 AromaticContact NE2-CG 3.99Å; H281-Y285 VanDerWaalsContact O-CD2 3.31Å; H281-Y285 WeakPolarHBondContact O-CD2 3.41Å; H281-Y285 PolarHBondContact O-N 3.49Å; Y282-Y285 PolarHBondContact O-N 3.5Å |
| 286 | E | 54.4 | Low | 68 | Low | 71 Ų | 71 | 56.5 Ų | 56.5 | 33% | 0.332 | 31% | 0.308 | S | S | . | . | trans | -143.2 | 0 | -177.6 | -20.9 | 151.8 | 127.8 | 0 | 0 | 112.7 | R163 R257 Y282 | R163-E286 IonicContact CZ-OE1 2.6Å; R163-E286 IonicContact CZ-OE2 2.82Å; R163-E286 IonicContact NH1-OE1 3.07Å; R163-E286 PolarHBondContact NH1-OE1 2.6Å; R163-E286 IonicContact NH1-OE2 3.17Å; R163-E286 PolarHBondContact NH1-OE2 3.16Å; R257-E286 PolarHBondContact NE-O 2.87Å; R257-E286 PolarHBondContact NH1-O 2.97Å; R257-E286 PolarHBondContact NH1-OXT 3.42Å; R257-E286 PolarHBondContact NH2-O 2.97Å; R257-E286 IonicContact NH2-OE2 3.68Å; R257-E286 PolarHBondContact NH2-OE2 3.08Å; Y282-E286 VanDerWaalsContact CA-OE2 3.26Å; Y282-E286 WeakPolarHBondContact CA-OE2 3.25Å; Y282-E286 WeakPolarHBondContact CD2-OE2 3.48Å; Y282-E286 WeakPolarHBondContact CE2-OE2 3.48Å; Y282-E286 VanDerWaalsContact CG-OE2 3.25Å; Y282-E286 PolarHBondContact O-N 3.18Å |
Retrieved 286 of 286 residues in 64.5 ms
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