| 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 | 63.8 | Low | 92.8 | Very high | 238 Ų | 238 | 48.2 Ų | 48.2 | 100% | 1.172 | 26% | 0.263 | S | S | * | . | 0 | 141 | 0 | -64.7 | -173.9 | -147.2 | 0 | 0 | 107.7 | |||||
| 2 | S | 82.9 | Confident | 92.6 | Very high | 61 Ų | 61 | 45.3 Ų | 45.3 | 43% | 0.427 | 25% | 0.253 | S | S | . | . | trans | -59.1 | 138 | 179.6 | 174.9 | 0 | 0 | 0 | 0 | 111 | G4 G27 D29 | S2-G4 PolarHBondContact O-N 3.46Å; S2-G4 PolarHBondContact OG-N 2.86Å; S2-G4 PolarHBondContact OG-O 3.07Å; S2-G27 WeakPolarHBondContact CA-O 3.11Å; S2-D29 VanDerWaalsContact CB-OD2 3.26Å; S2-D29 WeakPolarHBondContact CB-OD2 3.2Å; S2-D29 VanDerWaalsContact OG-CG 3.23Å; S2-D29 PolarHBondContact OG-OD2 2.98Å | ||
| 3 | K | 93.4 | Very high | 92.4 | Very high | 121 Ų | 121 | 43.3 Ų | 43.3 | 53% | 0.526 | 25% | 0.249 | S | C | . | . | trans | -75.8 | -5.2 | 172.7 | -73.2 | -171.9 | -176.9 | 161.7 | 0 | 112.9 | Q26 G27 Y28 | K3-Q26 VanDerWaalsContact CD-O 3.23Å; K3-Q26 WeakPolarHBondContact CD-O 3.48Å; K3-Q26 WeakPolarHBondContact CE-O 3.34Å; K3-Q26 PolarHBondContact NZ-O 3.43Å; K3-G27 PolarHBondContact N-O 3.47Å; K3-Y28 HydrophobicContact CB-CD1 3.84Å; K3-Y28 HydrophobicContact CB-CE1 3.7Å; K3-Y28 HydrophobicContact CB-CG 4.5Å | ||
| 4 | G | 96.5 | Very high | 92.3 | Very high | 9 Ų | 9 | 40.6 Ų | 40.6 | 9% | 0.093 | 23% | 0.233 | C | C | . | . | trans | 130.1 | 170.1 | -176.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | S2 D29 | S2-G4 PolarHBondContact O-N 3.46Å; S2-G4 PolarHBondContact OG-N 2.86Å; S2-G4 PolarHBondContact OG-O 3.07Å; G4-D29 PolarHBondContact O-N 2.92Å | ||
| 5 | T | 98.4 | Very high | 92.3 | Very high | 21 Ų | 21 | 40.8 Ų | 40.8 | 13% | 0.129 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 133.7 | 176.4 | -61 | 0 | 0 | 0 | 0 | 110.3 | D29 I31 A110 Q111 F112 | T5-D29 WeakPolarHBondContact CA-O 3.5Å; T5-I31 HydrophobicContact CG2-CD1 3.6Å; T5-I31 HydrophobicContact CG2-CG1 3.86Å; T5-A110 HydrophobicContact CG2-CB 3.92Å; T5-Q111 PolarHBondContact O-N 3.08Å; T5-F112 PolarHBondContact O-N 3.42Å |
| 6 | V | 98.7 | Very high | 92.5 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 131.5 | 177.4 | 60.9 | 0 | 0 | 0 | 0 | 110.5 | L23 Y28 D29 V30 I31 F112 I141 | V6-L23 HydrophobicContact CG1-CD1 4.17Å; V6-L23 HydrophobicContact CG2-CD1 4.47Å; V6-Y28 HydrophobicContact CG1-CG 4.38Å; V6-D29 PolarHBondContact N-O 3.21Å; V6-V30 HydrophobicContact CG1-CB 4.17Å; V6-V30 HydrophobicContact CG1-CG1 4.22Å; V6-V30 HydrophobicContact CG1-CG2 3.82Å; V6-I31 PolarHBondContact O-N 2.73Å; V6-F112 WeakPolarHBondContact CA-O 3.21Å; V6-F112 HydrophobicContact CB-CB 3.83Å; V6-F112 HydrophobicContact CG2-CB 3.82Å; V6-I141 HydrophobicContact CG2-CD1 4.2Å |
| 7 | V | 98.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 109.6 | 169.9 | -175.3 | 0 | 0 | 0 | 0 | 109.1 | I31 Q101 I104 A105 A110 F112 V113 S114 | V7-I31 CarbonylContact C-O 3.57Å; V7-I31 WeakPolarHBondContact CA-O 3.16Å; V7-I31 HydrophobicContact CG1-CG2 4.49Å; V7-I31 HydrophobicContact CG2-CB 4.29Å; V7-I31 HydrophobicContact CG2-CG2 4.44Å; V7-Q101 HydrophobicContact CB-CG 4.46Å; V7-Q101 HydrophobicContact CG1-CG 3.95Å; V7-Q101 PolarHBondContact O-NE2 3.42Å; V7-I104 HydrophobicContact CG1-CG2 4.03Å; V7-I104 HydrophobicContact CG2-CG2 4.16Å; V7-A105 HydrophobicContact CB-CB 4.45Å; V7-A105 HydrophobicContact CG2-CB 3.91Å; V7-A110 HydrophobicContact CG2-CB 3.8Å; V7-F112 PolarHBondContact N-O 2.99Å; V7-V113 CarbonylContact O-C 3.6Å; V7-V113 WeakPolarHBondContact O-CA 3.45Å; V7-S114 PolarHBondContact O-N 3.35Å |
| 8 | L | 98.8 | Very high | 93 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 120.6 | 177.7 | 173.6 | 62.4 | 0 | 0 | 0 | 110.5 | Y10 I19 L20 L23 V30 I31 Y33 | L8-Y10 HydrophobicContact CD2-CD2 4.18Å; L8-Y10 PolarHBondContact O-N 3.13Å; L8-Y10 VanDerWaalsContact O-N 3.11Å; L8-I19 HydrophobicContact CD1-CG2 3.74Å; L8-I19 HydrophobicContact CD2-CG2 3.99Å; L8-L20 HydrophobicContact CD2-CB 3.85Å; L8-L23 HydrophobicContact CD2-CD1 4.42Å; L8-V30 HydrophobicContact CB-CG1 4.04Å; L8-V30 HydrophobicContact CD2-CG1 4.37Å; L8-I31 PolarHBondContact N-O 2.85Å; L8-Y33 PolarHBondContact O-N 3.08Å |
| 9 | A | 98.6 | Very high | 93.3 | Very high | 14 Ų | 14 | 32.6 Ų | 32.6 | 12% | 0.116 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 108.9 | 163.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | S114 F127 | A9-S114 PolarHBondContact N-O 3.09Å; A9-F127 HydrophobicContact CB-CE1 4.31Å |
| 10 | Y | 97.9 | Very high | 93.5 | Very high | 9 Ų | 9 | 31 Ų | 31 | 4% | 0.035 | 18% | 0.177 | C | C | . | . | trans | -117.9 | 135.2 | -166.6 | -176.1 | -104.8 | 0 | 0 | 0 | 110.5 | L8 G12 S17 L20 T32 Y33 L34 A50 | L8-Y10 HydrophobicContact CD2-CD2 4.18Å; L8-Y10 PolarHBondContact O-N 3.13Å; L8-Y10 VanDerWaalsContact O-N 3.11Å; Y10-G12 VanDerWaalsContact CE1-N 3.35Å; Y10-G12 VanDerWaalsContact CZ-CA 3.5Å; Y10-S17 PolarHBondContact OH-OG 3.37Å; Y10-L20 HydrophobicContact CD2-CD1 4.39Å; Y10-L20 HydrophobicContact CE2-CD1 4.03Å; Y10-T32 HydrophobicContact CD1-CG2 4.45Å; Y10-T32 HydrophobicContact CD2-CG2 4.18Å; Y10-T32 HydrophobicContact CG-CG2 3.98Å; Y10-Y33 PolarHBondContact N-O 3.25Å; Y10-L34 HydrophobicContact CD1-CD1 3.97Å; Y10-L34 HydrophobicContact CD1-CD2 3.92Å; Y10-L34 HydrophobicContact CD1-CG 3.88Å; Y10-L34 HydrophobicContact CE1-CD2 4.43Å; Y10-L34 WeakPolarHBondContact O-CG 3.38Å; Y10-A50 HydrophobicContact CD1-CB 4.25Å; Y10-A50 HydrophobicContact CE1-CB 3.81Å | ||
| 11 | S | 92.8 | Very high | 93.7 | Very high | 57 Ų | 57 | 30.1 Ų | 30.1 | 40% | 0.399 | 17% | 0.173 | S | C | . | . | trans | -120.8 | 4.4 | -177 | 59.7 | 0 | 0 | 0 | 0 | 113.6 | G13 T16 | S11-G13 PolarHBondContact O-N 3.31Å; S11-T16 PolarHBondContact N-OG1 2.82Å; S11-T16 PolarHBondContact OG-OG1 3.4Å | ||
| 12 | G | 90.6 | Very high | 95.4 | Very high | 13 Ų | 13 | 19.4 Ų | 19.4 | 13% | 0.134 | 12% | 0.119 | C | C | . | . | S | Bend | trans | 73.2 | -13.6 | -174.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | Y10 S17 K49 | Y10-G12 VanDerWaalsContact CE1-N 3.35Å; Y10-G12 VanDerWaalsContact CZ-CA 3.5Å; G12-S17 PolarHBondContact O-OG 2.92Å; G12-K49 PolarHBondContact O-NZ 3.45Å |
| 13 | G | 90.3 | Very high | 96.1 | Very high | 20 Ų | 20 | 16.5 Ų | 16.5 | 21% | 0.206 | 10% | 0.099 | C | C | . | . | S | Bend | trans | -65.1 | 172.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | S11 S17 | S11-G13 PolarHBondContact O-N 3.31Å; G13-S17 WeakPolarHBondContact O-CB 3.23Å; G13-S17 PolarHBondContact O-N 2.8Å; G13-S17 PolarHBondContact O-OG 2.97Å |
| 14 | L | 90.5 | Very high | 96.3 | Very high | 5 Ų | 5 | 15.2 Ų | 15.2 | 3% | 0.026 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -55.6 | -56.5 | 179.6 | 178.5 | 64.5 | 0 | 0 | 0 | 111.4 | T16 S17 C18 R156 L159 M160 A163 V170 | L14-T16 PolarHBondContact O-N 2.61Å; L14-S17 PolarHBondContact O-N 2.72Å; L14-C18 PolarHBondContact O-N 2.98Å; L14-C18 PolarHBondContact O-SG 3.3Å; L14-C18 VanDerWaalsContact O-SG 3.33Å; L14-R156 HydrophobicContact CD2-CG 3.94Å; L14-L159 HydrophobicContact CD1-CB 4.44Å; L14-L159 HydrophobicContact CD2-CB 3.86Å; L14-L159 HydrophobicContact CD2-CD1 4.4Å; L14-L159 HydrophobicContact CG-CB 4.06Å; L14-M160 HydrophobicContact CD1-SD 4.07Å; L14-M160 HydrophobicContact CD2-CG 4.04Å; L14-M160 HydrophobicContact CD2-SD 3.7Å; L14-A163 HydrophobicContact CD1-CB 3.88Å; L14-V170 HydrophobicContact CD1-CG2 4.02Å |
| 15 | D | 92.5 | Very high | 96.4 | Very high | 44 Ų | 44 | 19 Ų | 19 | 24% | 0.235 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -55.6 | -54.8 | -176.4 | -66.8 | 49 | 0 | 0 | 0 | 112.6 | S17 C18 I19 W144 | D15-S17 VanDerWaalsContact C-N 3.29Å; D15-S17 PolarHBondContact O-N 2.95Å; D15-C18 PolarHBondContact O-N 3.25Å; D15-I19 WeakPolarHBondContact O-CB 3.41Å; D15-I19 VanDerWaalsContact O-CG1 3.23Å; D15-I19 WeakPolarHBondContact O-CG1 3.34Å; D15-I19 PolarHBondContact O-N 2.78Å; D15-W144 WeakPolarHBondContact OD2-CZ2 3.46Å; D15-W144 PolarHBondContact OD2-NE1 3.25Å |
| 16 | T | 95.7 | Very high | 96.3 | Very high | 8 Ų | 8 | 21.3 Ų | 21.3 | 5% | 0.049 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -69.3 | -27.2 | -177.9 | 51.2 | 0 | 0 | 0 | 0 | 112.4 | S11 L14 L20 | S11-T16 PolarHBondContact N-OG1 2.82Å; S11-T16 PolarHBondContact OG-OG1 3.4Å; L14-T16 PolarHBondContact O-N 2.61Å; T16-L20 WeakPolarHBondContact O-CB 3.26Å; T16-L20 PolarHBondContact O-N 3.46Å |
| 17 | S | 96.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -70.3 | -43.5 | 171.4 | -58.1 | 0 | 0 | 0 | 0 | 112.4 | Y10 G12 G13 L14 D15 I19 L20 V21 K49 | Y10-S17 PolarHBondContact OH-OG 3.37Å; G12-S17 PolarHBondContact O-OG 2.92Å; G13-S17 WeakPolarHBondContact O-CB 3.23Å; G13-S17 PolarHBondContact O-N 2.8Å; G13-S17 PolarHBondContact O-OG 2.97Å; L14-S17 PolarHBondContact O-N 2.72Å; D15-S17 VanDerWaalsContact C-N 3.29Å; D15-S17 PolarHBondContact O-N 2.95Å; S17-I19 VanDerWaalsContact C-N 3.34Å; S17-L20 PolarHBondContact O-N 3.11Å; S17-V21 PolarHBondContact O-N 3.31Å; S17-K49 VanDerWaalsContact OG-CE 3.24Å; S17-K49 WeakPolarHBondContact OG-CE 3.45Å; S17-K49 PolarHBondContact OG-NZ 3Å |
| 18 | C | 97 | Very high | 96.2 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -64.6 | -40.1 | 173.7 | -66.3 | 0 | 0 | 0 | 0 | 111.3 | L14 D15 V21 W22 L159 Y162 | L14-C18 PolarHBondContact O-N 2.98Å; L14-C18 PolarHBondContact O-SG 3.3Å; L14-C18 VanDerWaalsContact O-SG 3.33Å; D15-C18 PolarHBondContact O-N 3.25Å; C18-V21 PolarHBondContact O-N 3.3Å; C18-W22 VanDerWaalsContact O-CB 3.24Å; C18-W22 WeakPolarHBondContact O-CB 3.26Å; C18-W22 PolarHBondContact O-N 2.95Å; C18-L159 HydrophobicContact CB-CD2 3.87Å; C18-Y162 HydrophobicContact CB-CD1 3.9Å; C18-Y162 HydrophobicContact CB-CE1 4.08Å |
| 19 | I | 98.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -62.9 | -43.2 | 176.3 | -71.8 | 167.6 | 0 | 0 | 0 | 111.4 | L8 D15 S17 V21 W22 L23 P143 F149 | L8-I19 HydrophobicContact CD1-CG2 3.74Å; L8-I19 HydrophobicContact CD2-CG2 3.99Å; D15-I19 WeakPolarHBondContact O-CB 3.41Å; D15-I19 VanDerWaalsContact O-CG1 3.23Å; D15-I19 WeakPolarHBondContact O-CG1 3.34Å; D15-I19 PolarHBondContact O-N 2.78Å; S17-I19 VanDerWaalsContact C-N 3.34Å; I19-V21 PolarHBondContact O-N 2.92Å; I19-W22 PolarHBondContact O-N 3Å; I19-L23 HydrophobicContact CG2-CD1 3.69Å; I19-L23 HydrophobicContact CG2-CG 4.12Å; I19-L23 WeakPolarHBondContact O-CB 3.15Å; I19-L23 VanDerWaalsContact O-CG 3.26Å; I19-L23 WeakPolarHBondContact O-CG 3.35Å; I19-L23 PolarHBondContact O-N 2.89Å; I19-P143 HydrophobicContact CB-CG 4.46Å; I19-P143 HydrophobicContact CD1-CB 4.35Å; I19-P143 HydrophobicContact CD1-CG 4.1Å; I19-P143 HydrophobicContact CG1-CB 4.14Å; I19-P143 HydrophobicContact CG1-CG 3.95Å; I19-P143 HydrophobicContact CG2-CG 3.76Å; I19-F149 HydrophobicContact CD1-CZ 4.47Å; I19-F149 HydrophobicContact CG1-CE1 4.49Å; I19-F149 HydrophobicContact CG1-CE2 4.03Å; I19-F149 HydrophobicContact CG1-CZ 3.65Å |
| 20 | L | 98.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -54.2 | -54.3 | 175.5 | -175.8 | 175.8 | 0 | 0 | 0 | 110.5 | L8 Y10 T16 S17 W22 L23 K24 V30 T32 A50 L53 A55 | L8-L20 HydrophobicContact CD2-CB 3.85Å; Y10-L20 HydrophobicContact CD2-CD1 4.39Å; Y10-L20 HydrophobicContact CE2-CD1 4.03Å; T16-L20 WeakPolarHBondContact O-CB 3.26Å; T16-L20 PolarHBondContact O-N 3.46Å; S17-L20 PolarHBondContact O-N 3.11Å; L20-W22 PolarHBondContact O-N 2.9Å; L20-L23 PolarHBondContact O-N 3.34Å; L20-K24 PolarHBondContact O-N 3.12Å; L20-V30 HydrophobicContact CG-CG1 4.24Å; L20-T32 HydrophobicContact CD1-CG2 3.54Å; L20-T32 HydrophobicContact CG-CG2 4.07Å; L20-A50 HydrophobicContact CD1-CB 4.12Å; L20-L53 HydrophobicContact CD1-CB 4Å; L20-L53 HydrophobicContact CD1-CD1 4.28Å; L20-L53 HydrophobicContact CD2-CB 3.8Å; L20-A55 HydrophobicContact CD1-CB 4.38Å |
| 21 | V | 98.2 | Very high | 96.3 | Very high | 13 Ų | 13 | 26.5 Ų | 26.5 | 8% | 0.079 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -63.7 | -44.1 | -178.9 | 179.5 | 0 | 0 | 0 | 0 | 110.6 | S17 C18 I19 L23 K24 E25 L53 Y162 H166 I168 | S17-V21 PolarHBondContact O-N 3.31Å; C18-V21 PolarHBondContact O-N 3.3Å; I19-V21 PolarHBondContact O-N 2.92Å; V21-L23 PolarHBondContact O-N 2.91Å; V21-K24 WeakPolarHBondContact O-CA 3.1Å; V21-K24 VanDerWaalsContact O-CB 3.26Å; V21-K24 WeakPolarHBondContact O-CB 3.47Å; V21-K24 PolarHBondContact O-N 2.94Å; V21-K24 VanDerWaalsContact O-N 3.11Å; V21-E25 WeakPolarHBondContact O-CG 3.4Å; V21-E25 PolarHBondContact O-N 3.17Å; V21-L53 HydrophobicContact CG2-CB 4.1Å; V21-L53 HydrophobicContact CG2-CD1 4.49Å; V21-L53 HydrophobicContact CG2-CD2 3.86Å; V21-L53 HydrophobicContact CG2-CG 4.37Å; V21-Y162 HydrophobicContact CB-CE1 4.25Å; V21-Y162 HydrophobicContact CG1-CE1 4.31Å; V21-Y162 WeakPolarHBondContact CG1-OH 3.3Å; V21-H166 HydrophobicContact CG1-CB 4.1Å; V21-I168 HydrophobicContact CB-CD1 4.06Å; V21-I168 HydrophobicContact CG2-CD1 3.61Å; V21-I168 HydrophobicContact CG2-CG1 4Å |
| 22 | W | 98.2 | Very high | 96.5 | Very high | 13 Ų | 13 | 23.8 Ų | 23.8 | 5% | 0.049 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -61.8 | -44.8 | 179.9 | -179.6 | 86.7 | 0 | 0 | 0 | 112.5 | C18 I19 L20 K24 E25 Q26 I141 P143 I146 F149 Y162 | C18-W22 VanDerWaalsContact O-CB 3.24Å; C18-W22 WeakPolarHBondContact O-CB 3.26Å; C18-W22 PolarHBondContact O-N 2.95Å; I19-W22 PolarHBondContact O-N 3Å; L20-W22 PolarHBondContact O-N 2.9Å; W22-K24 PolarHBondContact O-N 2.92Å; W22-E25 WeakPolarHBondContact O-CB 3.35Å; W22-E25 PolarHBondContact O-N 3.06Å; W22-E25 VanDerWaalsContact O-N 3.12Å; W22-Q26 HydrophobicContact CD2-CG 3.86Å; W22-Q26 HydrophobicContact CE3-CG 3.93Å; W22-Q26 HydrophobicContact CH2-CG 3.7Å; W22-Q26 HydrophobicContact CZ2-CG 3.61Å; W22-Q26 HydrophobicContact CZ3-CG 3.85Å; W22-Q26 WeakPolarHBondContact O-CG 3.42Å; W22-Q26 PolarHBondContact O-N 2.6Å; W22-I141 HydrophobicContact CZ3-CG2 4.49Å; W22-P143 HydrophobicContact CE3-CG 4.49Å; W22-P143 HydrophobicContact CZ3-CB 4.42Å; W22-P143 HydrophobicContact CZ3-CG 4.32Å; W22-I146 HydrophobicContact CH2-CD1 4.16Å; W22-I146 HydrophobicContact CH2-CG2 4.4Å; W22-F149 HydrophobicContact CB-CD2 4.45Å; W22-F149 HydrophobicContact CB-CE2 4.07Å; W22-F149 AromaticContact CD1-CD2 3.94Å; W22-F149 AromaticContact CD2-CD2 3.53Å; W22-F149 HydrophobicContact CD2-CD2 3.53Å; W22-F149 AromaticContact CD2-CE2 4Å; W22-F149 HydrophobicContact CD2-CE2 4Å; W22-F149 AromaticContact CE2-CD2 3.66Å; W22-F149 AromaticContact CE3-CD2 3.97Å; W22-F149 HydrophobicContact CE3-CD2 3.97Å; W22-F149 HydrophobicContact CE3-CE2 4.36Å; W22-F149 AromaticContact CG-CD2 3.73Å; W22-F149 HydrophobicContact CG-CD2 3.73Å; W22-F149 AromaticContact CG-CE2 3.84Å; W22-F149 HydrophobicContact CG-CE2 3.84Å; W22-F149 HydrophobicContact CZ2-CB 4.16Å; W22-F149 HydrophobicContact CZ2-CD2 4.2Å; W22-F149 HydrophobicContact CZ3-CD2 4.46Å; W22-F149 AromaticContact NE1-CD2 3.88Å; W22-Y162 WeakPolarHBondContact CA-OH 3.12Å; W22-Y162 PolarHBondContact N-OH 3.23Å |
| 23 | L | 98.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -59 | -37.9 | 175.3 | -74.3 | 169.4 | 0 | 0 | 0 | 111.2 | V6 L8 I19 L20 V21 Q26 G27 Y28 V30 I141 | V6-L23 HydrophobicContact CG1-CD1 4.17Å; V6-L23 HydrophobicContact CG2-CD1 4.47Å; L8-L23 HydrophobicContact CD2-CD1 4.42Å; I19-L23 HydrophobicContact CG2-CD1 3.69Å; I19-L23 HydrophobicContact CG2-CG 4.12Å; I19-L23 WeakPolarHBondContact O-CB 3.15Å; I19-L23 VanDerWaalsContact O-CG 3.26Å; I19-L23 WeakPolarHBondContact O-CG 3.35Å; I19-L23 PolarHBondContact O-N 2.89Å; L20-L23 PolarHBondContact O-N 3.34Å; V21-L23 PolarHBondContact O-N 2.91Å; L23-Q26 WeakPolarHBondContact O-CB 3.47Å; L23-Q26 PolarHBondContact O-N 2.98Å; L23-G27 PolarHBondContact O-N 2.94Å; L23-Y28 HydrophobicContact CB-CD2 4.45Å; L23-Y28 HydrophobicContact CD2-CD2 4.02Å; L23-Y28 HydrophobicContact CD2-CE2 4.36Å; L23-Y28 WeakPolarHBondContact O-CD2 3.44Å; L23-Y28 PolarHBondContact O-N 3.22Å; L23-Y28 VanDerWaalsContact O-N 3.11Å; L23-V30 HydrophobicContact CB-CG2 3.63Å; L23-V30 HydrophobicContact CD1-CG2 4.5Å; L23-I141 HydrophobicContact CD2-CB 4.41Å; L23-I141 HydrophobicContact CD2-CD1 4.08Å; L23-I141 HydrophobicContact CD2-CG2 3.74Å |
| 24 | K | 97.9 | Very high | 97.3 | Very high | 93 Ų | 93 | 22.4 Ų | 22.4 | 40% | 0.404 | 11% | 0.114 | S | C | . | . | H | α-helix | trans | -65.4 | -44.3 | 175.2 | -138.3 | -179.3 | 68.5 | -175 | 0 | 111.6 | L20 V21 W22 Q26 G27 L53 G54 | L20-K24 PolarHBondContact O-N 3.12Å; V21-K24 WeakPolarHBondContact O-CA 3.1Å; V21-K24 VanDerWaalsContact O-CB 3.26Å; V21-K24 WeakPolarHBondContact O-CB 3.47Å; V21-K24 PolarHBondContact O-N 2.94Å; V21-K24 VanDerWaalsContact O-N 3.11Å; W22-K24 PolarHBondContact O-N 2.92Å; K24-Q26 PolarHBondContact O-N 3.48Å; K24-G27 WeakPolarHBondContact O-CA 2.98Å; K24-G27 PolarHBondContact O-N 3.43Å; K24-L53 PolarHBondContact NZ-O 3.21Å; K24-G54 VanDerWaalsContact CD-O 3.28Å; K24-G54 WeakPolarHBondContact CD-O 3.32Å |
| 25 | E | 97.1 | Very high | 97.7 | Very high | 90 Ų | 90 | 22.7 Ų | 22.7 | 42% | 0.421 | 12% | 0.118 | S | C | . | . | H | α-helix | trans | -59.9 | -33.4 | 172.5 | -65.6 | -173.5 | 128.3 | 0 | 0 | 112.2 | V21 W22 G27 R152 Y162 H166 | V21-E25 WeakPolarHBondContact O-CG 3.4Å; V21-E25 PolarHBondContact O-N 3.17Å; W22-E25 WeakPolarHBondContact O-CB 3.35Å; W22-E25 PolarHBondContact O-N 3.06Å; W22-E25 VanDerWaalsContact O-N 3.12Å; E25-G27 PolarHBondContact O-N 2.93Å; E25-R152 IonicContact OE2-NH1 3.19Å; E25-Y162 VanDerWaalsContact CD-OH 3.27Å; E25-Y162 PolarHBondContact OE2-OH 2.56Å; E25-H166 IonicContact OE1-CD2 3.75Å; E25-H166 IonicContact OE1-CE1 2.82Å; E25-H166 IonicContact OE1-NE2 3.74Å; E25-H166 PolarHBondContact OE1-NE2 3.07Å |
| 26 | Q | 97.4 | Very high | 98 | Very high | 68 Ų | 68 | 21.8 Ų | 21.8 | 32% | 0.318 | 11% | 0.113 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -8.9 | 174.4 | -64.3 | -46.7 | -57.3 | 0 | 0 | 113.7 | K3 W22 L23 K24 Y28 | K3-Q26 VanDerWaalsContact CD-O 3.23Å; K3-Q26 WeakPolarHBondContact CD-O 3.48Å; K3-Q26 WeakPolarHBondContact CE-O 3.34Å; K3-Q26 PolarHBondContact NZ-O 3.43Å; W22-Q26 HydrophobicContact CD2-CG 3.86Å; W22-Q26 HydrophobicContact CE3-CG 3.93Å; W22-Q26 HydrophobicContact CH2-CG 3.7Å; W22-Q26 HydrophobicContact CZ2-CG 3.61Å; W22-Q26 HydrophobicContact CZ3-CG 3.85Å; W22-Q26 WeakPolarHBondContact O-CG 3.42Å; W22-Q26 PolarHBondContact O-N 2.6Å; L23-Q26 WeakPolarHBondContact O-CB 3.47Å; L23-Q26 PolarHBondContact O-N 2.98Å; K24-Q26 PolarHBondContact O-N 3.48Å; Q26-Y28 HydrophobicContact CB-CD2 3.83Å; Q26-Y28 HydrophobicContact CB-CE2 3.81Å |
| 27 | G | 97.6 | Very high | 98.1 | Very high | 30 Ų | 30 | 21.6 Ų | 21.6 | 31% | 0.309 | 11% | 0.111 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 95 | 19.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | S2 K3 L23 K24 E25 | S2-G27 WeakPolarHBondContact CA-O 3.11Å; K3-G27 PolarHBondContact N-O 3.47Å; L23-G27 PolarHBondContact O-N 2.94Å; K24-G27 WeakPolarHBondContact O-CA 2.98Å; K24-G27 PolarHBondContact O-N 3.43Å; E25-G27 PolarHBondContact O-N 2.93Å |
| 28 | Y | 98.4 | Very high | 98.1 | Very high | 41 Ų | 41 | 22.9 Ų | 22.9 | 16% | 0.161 | 12% | 0.124 | C | C | . | . | trans | -91 | 148 | 175.5 | -63.2 | -78 | 0 | 0 | 0 | 112.5 | K3 V6 L23 Q26 V30 F112 I141 | K3-Y28 HydrophobicContact CB-CD1 3.84Å; K3-Y28 HydrophobicContact CB-CE1 3.7Å; K3-Y28 HydrophobicContact CB-CG 4.5Å; V6-Y28 HydrophobicContact CG1-CG 4.38Å; L23-Y28 HydrophobicContact CB-CD2 4.45Å; L23-Y28 HydrophobicContact CD2-CD2 4.02Å; L23-Y28 HydrophobicContact CD2-CE2 4.36Å; L23-Y28 WeakPolarHBondContact O-CD2 3.44Å; L23-Y28 PolarHBondContact O-N 3.22Å; L23-Y28 VanDerWaalsContact O-N 3.11Å; Q26-Y28 HydrophobicContact CB-CD2 3.83Å; Q26-Y28 HydrophobicContact CB-CE2 3.81Å; Y28-V30 PolarHBondContact O-N 3.38Å; Y28-F112 HydrophobicContact CD1-CD2 4.48Å; Y28-F112 HydrophobicContact CE1-CD2 4.25Å; Y28-F112 HydrophobicContact CE1-CE1 4.44Å; Y28-F112 HydrophobicContact CE1-CE2 4.06Å; Y28-F112 HydrophobicContact CE1-CZ 4.16Å; Y28-I141 HydrophobicContact CD1-CD1 4.28Å; Y28-I141 HydrophobicContact CD2-CD1 4.29Å; Y28-I141 HydrophobicContact CE1-CD1 3.81Å; Y28-I141 HydrophobicContact CE2-CD1 3.83Å | ||
| 29 | D | 98.3 | Very high | 98 | Very high | 57 Ų | 57 | 24.2 Ų | 24.2 | 31% | 0.305 | 13% | 0.131 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 106.7 | 165 | -72.1 | -40.7 | 0 | 0 | 0 | 109.3 | S2 G4 T5 V6 K56 | S2-D29 VanDerWaalsContact CB-OD2 3.26Å; S2-D29 WeakPolarHBondContact CB-OD2 3.2Å; S2-D29 VanDerWaalsContact OG-CG 3.23Å; S2-D29 PolarHBondContact OG-OD2 2.98Å; G4-D29 PolarHBondContact O-N 2.92Å; T5-D29 WeakPolarHBondContact CA-O 3.5Å; V6-D29 PolarHBondContact N-O 3.21Å; D29-K56 HydrophobicContact CB-CD 3.71Å; D29-K56 IonicContact OD2-NZ 3.59Å |
| 30 | V | 98.6 | Very high | 97.7 | Very high | 2 Ų | 2 | 32.3 Ų | 32.3 | 1% | 0.012 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 118 | -172.9 | -171.6 | 0 | 0 | 0 | 0 | 111.1 | V6 L8 L20 L23 Y28 T32 A55 K56 | V6-V30 HydrophobicContact CG1-CB 4.17Å; V6-V30 HydrophobicContact CG1-CG1 4.22Å; V6-V30 HydrophobicContact CG1-CG2 3.82Å; L8-V30 HydrophobicContact CB-CG1 4.04Å; L8-V30 HydrophobicContact CD2-CG1 4.37Å; L20-V30 HydrophobicContact CG-CG1 4.24Å; L23-V30 HydrophobicContact CB-CG2 3.63Å; L23-V30 HydrophobicContact CD1-CG2 4.5Å; Y28-V30 PolarHBondContact O-N 3.38Å; V30-T32 HydrophobicContact CG1-CG2 4.39Å; V30-A55 CarbonylContact O-C 3.58Å; V30-A55 WeakPolarHBondContact O-CA 3.26Å; V30-K56 WeakPolarHBondContact O-CB 3.08Å; V30-K56 PolarHBondContact O-N 3.48Å |
| 31 | I | 98.8 | Very high | 97.2 | Very high | 3 Ų | 3 | 35.9 Ų | 35.9 | 2% | 0.015 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 128.2 | 163.4 | -63.2 | -178.4 | 0 | 0 | 0 | 107.1 | T5 V6 V7 L8 K57 F59 E108 | T5-I31 HydrophobicContact CG2-CD1 3.6Å; T5-I31 HydrophobicContact CG2-CG1 3.86Å; V6-I31 PolarHBondContact O-N 2.73Å; V7-I31 CarbonylContact C-O 3.57Å; V7-I31 WeakPolarHBondContact CA-O 3.16Å; V7-I31 HydrophobicContact CG1-CG2 4.49Å; V7-I31 HydrophobicContact CG2-CB 4.29Å; V7-I31 HydrophobicContact CG2-CG2 4.44Å; L8-I31 PolarHBondContact N-O 2.85Å; I31-K57 CarbonylContact C-O 3.55Å; I31-K57 WeakPolarHBondContact CA-O 3.33Å; I31-K57 HydrophobicContact CG1-CB 4.13Å; I31-K57 HydrophobicContact CG2-CB 4.27Å; I31-F59 HydrophobicContact CG2-CD2 3.56Å; I31-F59 HydrophobicContact CG2-CE2 3.67Å; I31-E108 HydrophobicContact CD1-CB 3.74Å; I31-E108 HydrophobicContact CD1-CG 3.75Å |
| 32 | T | 98.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 143.5 | 172.6 | 54.8 | 0 | 0 | 0 | 0 | 110.6 | Y10 L20 V30 A50 A55 K57 V58 F59 | Y10-T32 HydrophobicContact CD1-CG2 4.45Å; Y10-T32 HydrophobicContact CD2-CG2 4.18Å; Y10-T32 HydrophobicContact CG-CG2 3.98Å; L20-T32 HydrophobicContact CD1-CG2 3.54Å; L20-T32 HydrophobicContact CG-CG2 4.07Å; V30-T32 HydrophobicContact CG1-CG2 4.39Å; T32-A50 HydrophobicContact CG2-CB 4.07Å; T32-A55 HydrophobicContact CG2-CB 3.89Å; T32-K57 PolarHBondContact N-O 3.27Å; T32-V58 WeakPolarHBondContact O-CA 3.36Å; T32-V58 WeakPolarHBondContact OG1-CG2 3.47Å; T32-F59 PolarHBondContact O-N 3.34Å |
| 33 | Y | 98.6 | Very high | 96.8 | Very high | 1 Ų | 1 | 41.4 Ų | 41.4 | 0% | 0.004 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 114.6 | 179.2 | 159.4 | -125.4 | 0 | 0 | 0 | 108.9 | L8 Y10 A35 F59 E61 L63 I97 R100 Q101 I104 | L8-Y33 PolarHBondContact O-N 3.08Å; Y10-Y33 PolarHBondContact N-O 3.25Å; Y33-A35 HydrophobicContact CE1-CB 4.35Å; Y33-A35 HydrophobicContact CE2-CB 4.14Å; Y33-A35 VanDerWaalsContact OH-CB 3.3Å; Y33-A35 WeakPolarHBondContact OH-CB 3.38Å; Y33-F59 HydrophobicContact CD2-CB 4.26Å; Y33-E61 HydrophobicContact CD2-CG 4Å; Y33-E61 HydrophobicContact CE2-CB 3.86Å; Y33-E61 HydrophobicContact CE2-CG 3.57Å; Y33-L63 WeakPolarHBondContact OH-CD1 3.35Å; Y33-I97 HydrophobicContact CE1-CG2 3.78Å; Y33-I97 WeakPolarHBondContact CE1-O 3.5Å; Y33-I97 PolarHBondContact OH-O 3.43Å; Y33-R100 HydrophobicContact CE2-CG 3.99Å; Y33-R100 WeakPolarHBondContact OH-CB 3.49Å; Y33-Q101 HydrophobicContact CD1-CB 3.81Å; Y33-Q101 HydrophobicContact CD1-CG 4.06Å; Y33-Q101 HydrophobicContact CE1-CB 3.79Å; Y33-I104 HydrophobicContact CD1-CD1 4.47Å; Y33-I104 HydrophobicContact CD2-CD1 3.41Å; Y33-I104 VanDerWaalsContact CD2-CD1 3.41Å; Y33-I104 HydrophobicContact CE2-CD1 3.87Å; Y33-I104 HydrophobicContact CG-CD1 3.76Å |
| 34 | L | 98.4 | Very high | 96.6 | Very high | 2 Ų | 2 | 45.7 Ų | 45.7 | 1% | 0.01 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 123.5 | 172.5 | -63.3 | 105.1 | 0 | 0 | 0 | 109.3 | Y10 F43 A46 V58 F59 I60 E61 | Y10-L34 HydrophobicContact CD1-CD1 3.97Å; Y10-L34 HydrophobicContact CD1-CD2 3.92Å; Y10-L34 HydrophobicContact CD1-CG 3.88Å; Y10-L34 HydrophobicContact CE1-CD2 4.43Å; Y10-L34 WeakPolarHBondContact O-CG 3.38Å; L34-F43 HydrophobicContact CB-CD1 4.41Å; L34-F43 HydrophobicContact CD2-CD1 4.48Å; L34-A46 HydrophobicContact CD2-CB 3.52Å; L34-V58 HydrophobicContact CD1-CG1 3.52Å; L34-F59 PolarHBondContact N-O 2.67Å; L34-I60 HydrophobicContact CB-CG1 4.32Å; L34-I60 HydrophobicContact CD1-CG1 4.07Å; L34-I60 WeakPolarHBondContact O-CA 3.39Å; L34-E61 PolarHBondContact O-N 2.61Å |
| 35 | A | 98.3 | Very high | 96.4 | Very high | 12 Ų | 12 | 43.4 Ų | 43.4 | 10% | 0.099 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 109.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 109 | Y33 I37 Q39 L63 I97 | Y33-A35 HydrophobicContact CE1-CB 4.35Å; Y33-A35 HydrophobicContact CE2-CB 4.14Å; Y33-A35 VanDerWaalsContact OH-CB 3.3Å; Y33-A35 WeakPolarHBondContact OH-CB 3.38Å; A35-I37 PolarHBondContact O-N 2.99Å; A35-Q39 PolarHBondContact O-NE2 2.82Å; A35-L63 HydrophobicContact CB-CD1 4.27Å; A35-I97 HydrophobicContact CB-CB 4.4Å; A35-I97 HydrophobicContact CB-CD1 4.45Å; A35-I97 HydrophobicContact CB-CG1 3.85Å; A35-I97 HydrophobicContact CB-CG2 3.93Å |
| 36 | N | 98.3 | Very high | 96.3 | Very high | 24 Ų | 24 | 39.8 Ų | 39.8 | 13% | 0.128 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 103.2 | 164.7 | 174.8 | 7.2 | 0 | 0 | 0 | 107.9 | G38 F43 E61 L63 | N36-G38 PolarHBondContact OD1-N 3.25Å; N36-G38 VanDerWaalsContact OD1-N 3.15Å; N36-F43 HydrophobicContact CB-CD1 4.37Å; N36-F43 HydrophobicContact CB-CE1 3.67Å; N36-F43 HydrophobicContact CB-CE2 3.94Å; N36-F43 HydrophobicContact CB-CZ 3.43Å; N36-F43 VanDerWaalsContact CB-CZ 3.43Å; N36-E61 PolarHBondContact N-O 2.67Å; N36-L63 PolarHBondContact O-N 2.86Å |
| 37 | I | 97.9 | Very high | 96.3 | Very high | 4 Ų | 4 | 39.3 Ų | 39.3 | 2% | 0.021 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -116.3 | 22.4 | 179 | -162.8 | 151.1 | 0 | 0 | 0 | 111.1 | A35 Q39 F67 A93 C96 I97 N183 L184 | A35-I37 PolarHBondContact O-N 2.99Å; I37-Q39 VanDerWaalsContact CG2-OE1 3.31Å; I37-F67 HydrophobicContact CD1-CB 4.01Å; I37-F67 HydrophobicContact CD1-CD1 3.9Å; I37-F67 HydrophobicContact CD1-CD2 3.81Å; I37-F67 HydrophobicContact CD1-CE1 4.3Å; I37-F67 HydrophobicContact CD1-CE2 4.25Å; I37-F67 HydrophobicContact CD1-CG 3.64Å; I37-F67 HydrophobicContact CD1-CZ 4.47Å; I37-F67 HydrophobicContact CG1-CB 3.84Å; I37-F67 HydrophobicContact CG1-CD1 3.33Å; I37-F67 HydrophobicContact CG1-CD2 4.18Å; I37-F67 HydrophobicContact CG1-CE1 3.85Å; I37-F67 HydrophobicContact CG1-CG 3.52Å; I37-F67 HydrophobicContact CG1-CZ 4.5Å; I37-A93 HydrophobicContact CD1-CB 3.86Å; I37-C96 HydrophobicContact CD1-CB 4.04Å; I37-I97 HydrophobicContact CD1-CD1 4.33Å; I37-I97 HydrophobicContact CD1-CG1 3.93Å; I37-I97 HydrophobicContact CG2-CD1 4.49Å; I37-N183 HydrophobicContact CG1-CB 4.48Å; I37-N183 HydrophobicContact CG2-CB 3.64Å; I37-L184 VanDerWaalsContact O-CB 3.31Å; I37-L184 WeakPolarHBondContact O-CB 3.47Å; I37-L184 PolarHBondContact O-N 2.94Å |
| 38 | G | 96.9 | Very high | 96.3 | Very high | 27 Ų | 27 | 44.5 Ų | 44.5 | 28% | 0.278 | 23% | 0.233 | S | C | . | . | S | Bend | trans | 100.7 | 6.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | N36 | N36-G38 PolarHBondContact OD1-N 3.25Å; N36-G38 VanDerWaalsContact OD1-N 3.15Å |
| 39 | Q | 95.1 | Very high | 96.2 | Very high | 28 Ų | 28 | 43.9 Ų | 43.9 | 13% | 0.131 | 23% | 0.231 | C | C | . | . | trans | -73.5 | 149.3 | 170.6 | 74 | -81.5 | 19.2 | 0 | 0 | 112.2 | A35 I37 E41 F43 A182 | A35-Q39 PolarHBondContact O-NE2 2.82Å; I37-Q39 VanDerWaalsContact CG2-OE1 3.31Å; Q39-E41 HydrophobicContact CG-CB 4.2Å; Q39-E41 VanDerWaalsContact CG-CD 3.42Å; Q39-E41 HydrophobicContact CG-CG 3.61Å; Q39-E41 WeakPolarHBondContact CG-OE2 3.41Å; Q39-E41 PolarHBondContact NE2-OE2 2.76Å; Q39-E41 PolarHBondContact O-N 2.91Å; Q39-F43 HydrophobicContact CG-CZ 4.14Å; Q39-A182 HydrophobicContact CB-CB 4.22Å; Q39-A182 WeakPolarHBondContact CB-O 3.45Å | ||
| 40 | D | 91.3 | Very high | 96.1 | Very high | 170 Ų | 170 | 41.2 Ų | 41.2 | 91% | 0.909 | 22% | 0.216 | S | C | * | . | trans | -85.1 | 90.3 | 176 | -170.7 | 24.1 | 0 | 0 | 0 | 110.3 | ||||
| 41 | E | 88.3 | Confident | 96.1 | Very high | 76 Ų | 76 | 45.8 Ų | 45.8 | 36% | 0.355 | 24% | 0.238 | S | C | . | . | trans | -132.7 | 145.5 | -179.1 | -73.3 | -179.6 | 158.7 | 0 | 0 | 111.2 | Q39 F43 | Q39-E41 HydrophobicContact CG-CB 4.2Å; Q39-E41 VanDerWaalsContact CG-CD 3.42Å; Q39-E41 HydrophobicContact CG-CG 3.61Å; Q39-E41 WeakPolarHBondContact CG-OE2 3.41Å; Q39-E41 PolarHBondContact NE2-OE2 2.76Å; Q39-E41 PolarHBondContact O-N 2.91Å; E41-F43 VanDerWaalsContact C-N 3.31Å; E41-F43 HydrophobicContact CB-CD2 4.48Å; E41-F43 HydrophobicContact CB-CE1 4.4Å; E41-F43 HydrophobicContact CB-CE2 4.19Å; E41-F43 HydrophobicContact CB-CZ 4.14Å; E41-F43 WeakPolarHBondContact O-CD2 3.4Å; E41-F43 PolarHBondContact O-N 3.3Å | ||
| 42 | D | 92.7 | Very high | 96 | Very high | 113 Ų | 113 | 49.8 Ų | 49.8 | 60% | 0.604 | 27% | 0.266 | S | S | * | . | trans | -79.2 | 84.5 | 166.5 | -172.8 | -16.2 | 0 | 0 | 0 | 109.5 | E44 A45 A46 | D42-E44 PolarHBondContact O-N 3.49Å; D42-E44 PolarHBondContact OD1-N 2.95Å; D42-A45 HydrophobicContact CB-CB 3.89Å; D42-A45 PolarHBondContact O-N 3.34Å; D42-A45 PolarHBondContact OD1-N 3.33Å; D42-A45 WeakPolarHBondContact OD2-CB 3.45Å; D42-A46 PolarHBondContact O-N 3.48Å | ||
| 43 | F | 94.7 | Very high | 96 | Very high | 28 Ų | 28 | 50.3 Ų | 50.3 | 12% | 0.123 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -58.8 | -32.5 | -179.3 | -68 | -79.8 | 0 | 0 | 0 | 112.8 | L34 N36 Q39 E41 A46 R47 I60 | L34-F43 HydrophobicContact CB-CD1 4.41Å; L34-F43 HydrophobicContact CD2-CD1 4.48Å; N36-F43 HydrophobicContact CB-CD1 4.37Å; N36-F43 HydrophobicContact CB-CE1 3.67Å; N36-F43 HydrophobicContact CB-CE2 3.94Å; N36-F43 HydrophobicContact CB-CZ 3.43Å; N36-F43 VanDerWaalsContact CB-CZ 3.43Å; Q39-F43 HydrophobicContact CG-CZ 4.14Å; E41-F43 VanDerWaalsContact C-N 3.31Å; E41-F43 HydrophobicContact CB-CD2 4.48Å; E41-F43 HydrophobicContact CB-CE1 4.4Å; E41-F43 HydrophobicContact CB-CE2 4.19Å; E41-F43 HydrophobicContact CB-CZ 4.14Å; E41-F43 WeakPolarHBondContact O-CD2 3.4Å; E41-F43 PolarHBondContact O-N 3.3Å; F43-A46 PolarHBondContact O-N 2.97Å; F43-R47 PolarHBondContact O-N 3.48Å; F43-I60 HydrophobicContact CB-CD1 4.08Å; F43-I60 HydrophobicContact CB-CG2 4.17Å; F43-I60 HydrophobicContact CD1-CG2 4.14Å; F43-I60 HydrophobicContact CG-CG2 4.32Å |
| 44 | E | 95.2 | Very high | 95.9 | Very high | 91 Ų | 91 | 51.6 Ų | 51.6 | 43% | 0.425 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -77.4 | -36 | 179.5 | -76.2 | -59.5 | 129.4 | 0 | 0 | 112 | D42 A46 R47 K48 I60 | D42-E44 PolarHBondContact O-N 3.49Å; D42-E44 PolarHBondContact OD1-N 2.95Å; E44-A46 VanDerWaalsContact C-N 3.32Å; E44-R47 PolarHBondContact O-N 2.87Å; E44-R47 IonicContact OE1-CZ 3.7Å; E44-R47 IonicContact OE1-NE 3.67Å; E44-R47 PolarHBondContact OE1-NE 2.82Å; E44-R47 IonicContact OE1-NH2 3.58Å; E44-R47 WeakPolarHBondContact OE2-CD 3.38Å; E44-R47 IonicContact OE2-NE 3.3Å; E44-R47 PolarHBondContact OE2-NE 2.91Å; E44-K48 WeakPolarHBondContact O-CG 3.48Å; E44-K48 PolarHBondContact O-N 3.1Å; E44-I60 WeakPolarHBondContact OE1-CD1 3.47Å |
| 45 | A | 94.3 | Very high | 95.9 | Very high | 45 Ų | 45 | 52.2 Ų | 52.2 | 37% | 0.372 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -63.1 | -40.8 | 167.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | D42 K48 K49 | D42-A45 HydrophobicContact CB-CB 3.89Å; D42-A45 PolarHBondContact O-N 3.34Å; D42-A45 PolarHBondContact OD1-N 3.33Å; D42-A45 WeakPolarHBondContact OD2-CB 3.45Å; A45-K48 PolarHBondContact O-N 2.81Å; A45-K49 WeakPolarHBondContact O-CB 3.28Å; A45-K49 PolarHBondContact O-N 2.79Å |
| 46 | A | 95 | Very high | 95.8 | Very high | 13 Ų | 13 | 57.7 Ų | 57.7 | 11% | 0.107 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -65.5 | -36.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | L34 D42 F43 E44 K49 A50 | L34-A46 HydrophobicContact CD2-CB 3.52Å; D42-A46 PolarHBondContact O-N 3.48Å; F43-A46 PolarHBondContact O-N 2.97Å; E44-A46 VanDerWaalsContact C-N 3.32Å; A46-K49 PolarHBondContact O-N 2.94Å; A46-A50 PolarHBondContact O-N 3.39Å |
| 47 | R | 96.6 | Very high | 95.8 | Very high | 58 Ų | 58 | 60.5 Ų | 60.5 | 22% | 0.219 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -59.8 | -55.8 | 170.4 | 175.7 | -168 | -65.2 | -74.9 | 2.5 | 111.6 | F43 E44 K49 A50 E51 V58 I60 | F43-R47 PolarHBondContact O-N 3.48Å; E44-R47 PolarHBondContact O-N 2.87Å; E44-R47 IonicContact OE1-CZ 3.7Å; E44-R47 IonicContact OE1-NE 3.67Å; E44-R47 PolarHBondContact OE1-NE 2.82Å; E44-R47 IonicContact OE1-NH2 3.58Å; E44-R47 WeakPolarHBondContact OE2-CD 3.38Å; E44-R47 IonicContact OE2-NE 3.3Å; E44-R47 PolarHBondContact OE2-NE 2.91Å; R47-K49 PolarHBondContact O-N 3.19Å; R47-A50 WeakPolarHBondContact O-CB 3.2Å; R47-A50 PolarHBondContact O-N 2.91Å; R47-E51 HydrophobicContact CG-CG 4.47Å; R47-E51 WeakPolarHBondContact CG-OE1 3.46Å; R47-E51 WeakPolarHBondContact O-CG 3.47Å; R47-E51 PolarHBondContact O-N 3.25Å; R47-V58 HydrophobicContact CB-CG1 4.2Å; R47-V58 HydrophobicContact CG-CB 4.16Å; R47-V58 HydrophobicContact CG-CG1 3.97Å; R47-V58 HydrophobicContact CG-CG2 4.4Å; R47-V58 PolarHBondContact NH1-O 3.47Å; R47-V58 VanDerWaalsContact NH1-O 3.08Å; R47-I60 HydrophobicContact CB-CD1 4.02Å; R47-I60 VanDerWaalsContact CZ-CD1 3.47Å; R47-I60 VanDerWaalsContact NH2-CG1 3.29Å |
| 48 | K | 96.8 | Very high | 95.9 | Very high | 140 Ų | 140 | 61 Ų | 61 | 61% | 0.609 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -57.2 | -37.5 | 179.6 | -71.8 | 172.2 | -177 | 172.1 | 0 | 111.5 | E44 A45 S52 | E44-K48 WeakPolarHBondContact O-CG 3.48Å; E44-K48 PolarHBondContact O-N 3.1Å; A45-K48 PolarHBondContact O-N 2.81Å; K48-S52 WeakPolarHBondContact O-CB 3.4Å; K48-S52 PolarHBondContact O-N 3.37Å; K48-S52 PolarHBondContact O-OG 3.3Å |
| 49 | K | 96.6 | Very high | 95.9 | Very high | 28 Ų | 28 | 60.6 Ų | 60.6 | 12% | 0.122 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -64.3 | -48.2 | 173.3 | -174.9 | -179 | -180 | 179.4 | 0 | 111.8 | G12 S17 A45 A46 R47 E51 S52 L53 P169 | G12-K49 PolarHBondContact O-NZ 3.45Å; S17-K49 VanDerWaalsContact OG-CE 3.24Å; S17-K49 WeakPolarHBondContact OG-CE 3.45Å; S17-K49 PolarHBondContact OG-NZ 3Å; A45-K49 WeakPolarHBondContact O-CB 3.28Å; A45-K49 PolarHBondContact O-N 2.79Å; A46-K49 PolarHBondContact O-N 2.94Å; R47-K49 PolarHBondContact O-N 3.19Å; K49-E51 VanDerWaalsContact C-N 3.31Å; K49-E51 PolarHBondContact O-N 3.36Å; K49-S52 PolarHBondContact O-N 2.87Å; K49-S52 PolarHBondContact O-OG 3.11Å; K49-L53 HydrophobicContact CG-CD1 4.07Å; K49-L53 WeakPolarHBondContact O-CB 3.37Å; K49-L53 WeakPolarHBondContact O-CG 3.43Å; K49-L53 PolarHBondContact O-N 3.48Å; K49-P169 WeakPolarHBondContact CE-O 3.5Å; K49-P169 PolarHBondContact NZ-O 2.67Å |
| 50 | A | 97.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -60.3 | -41.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y10 L20 T32 A46 R47 L53 G54 A55 V58 | Y10-A50 HydrophobicContact CD1-CB 4.25Å; Y10-A50 HydrophobicContact CE1-CB 3.81Å; L20-A50 HydrophobicContact CD1-CB 4.12Å; T32-A50 HydrophobicContact CG2-CB 4.07Å; A46-A50 PolarHBondContact O-N 3.39Å; R47-A50 WeakPolarHBondContact O-CB 3.2Å; R47-A50 PolarHBondContact O-N 2.91Å; A50-L53 PolarHBondContact O-N 2.66Å; A50-G54 PolarHBondContact O-N 3.31Å; A50-A55 HydrophobicContact CB-CB 4.19Å; A50-A55 VanDerWaalsContact O-CB 3.27Å; A50-A55 WeakPolarHBondContact O-CB 3.29Å; A50-A55 PolarHBondContact O-N 2.85Å; A50-V58 HydrophobicContact CB-CG2 3.97Å |
| 51 | E | 97.8 | Very high | 96.4 | Very high | 99 Ų | 99 | 54.8 Ų | 54.8 | 46% | 0.463 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -63 | -45.3 | 176.4 | -70.4 | 170.3 | 173.6 | 0 | 0 | 111.7 | R47 K49 L53 G54 V58 | R47-E51 HydrophobicContact CG-CG 4.47Å; R47-E51 WeakPolarHBondContact CG-OE1 3.46Å; R47-E51 WeakPolarHBondContact O-CG 3.47Å; R47-E51 PolarHBondContact O-N 3.25Å; K49-E51 VanDerWaalsContact C-N 3.31Å; K49-E51 PolarHBondContact O-N 3.36Å; E51-L53 VanDerWaalsContact C-N 3.25Å; E51-L53 PolarHBondContact O-N 3.17Å; E51-G54 WeakPolarHBondContact O-CA 3.28Å; E51-G54 PolarHBondContact O-N 3.11Å; E51-V58 HydrophobicContact CG-CG2 3.72Å |
| 52 | S | 97.2 | Very high | 96.9 | Very high | 87 Ų | 87 | 55.2 Ų | 55.2 | 61% | 0.608 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -65.9 | -29 | 178.1 | 74.2 | 0 | 0 | 0 | 0 | 113 | K48 K49 G54 | K48-S52 WeakPolarHBondContact O-CB 3.4Å; K48-S52 PolarHBondContact O-N 3.37Å; K48-S52 PolarHBondContact O-OG 3.3Å; K49-S52 PolarHBondContact O-N 2.87Å; K49-S52 PolarHBondContact O-OG 3.11Å; S52-G54 PolarHBondContact O-N 3.46Å |
| 53 | L | 97.6 | Very high | 97.2 | Very high | 10 Ų | 10 | 50.1 Ų | 50.1 | 5% | 0.052 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | -5.6 | 172 | -63.2 | 175.8 | 0 | 0 | 0 | 113 | L20 V21 K24 K49 A50 E51 I168 | L20-L53 HydrophobicContact CD1-CB 4Å; L20-L53 HydrophobicContact CD1-CD1 4.28Å; L20-L53 HydrophobicContact CD2-CB 3.8Å; V21-L53 HydrophobicContact CG2-CB 4.1Å; V21-L53 HydrophobicContact CG2-CD1 4.49Å; V21-L53 HydrophobicContact CG2-CD2 3.86Å; V21-L53 HydrophobicContact CG2-CG 4.37Å; K24-L53 PolarHBondContact NZ-O 3.21Å; K49-L53 HydrophobicContact CG-CD1 4.07Å; K49-L53 WeakPolarHBondContact O-CB 3.37Å; K49-L53 WeakPolarHBondContact O-CG 3.43Å; K49-L53 PolarHBondContact O-N 3.48Å; A50-L53 PolarHBondContact O-N 2.66Å; E51-L53 VanDerWaalsContact C-N 3.25Å; E51-L53 PolarHBondContact O-N 3.17Å; L53-I168 HydrophobicContact CD1-CG2 4.11Å; L53-I168 HydrophobicContact CD2-CB 4.1Å; L53-I168 HydrophobicContact CD2-CG1 3.8Å; L53-I168 HydrophobicContact CD2-CG2 4.06Å |
| 54 | G | 97 | Very high | 97.4 | Very high | 29 Ų | 29 | 52.9 Ų | 52.9 | 30% | 0.299 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.3 | 34.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | K24 A50 E51 S52 | K24-G54 VanDerWaalsContact CD-O 3.28Å; K24-G54 WeakPolarHBondContact CD-O 3.32Å; A50-G54 PolarHBondContact O-N 3.31Å; E51-G54 WeakPolarHBondContact O-CA 3.28Å; E51-G54 PolarHBondContact O-N 3.11Å; S52-G54 PolarHBondContact O-N 3.46Å |
| 55 | A | 97.9 | Very high | 97.5 | Very high | 15 Ų | 15 | 51 Ų | 51 | 12% | 0.124 | 27% | 0.266 | C | S | . | . | trans | -57.7 | 134.6 | 162 | 0 | 0 | 0 | 0 | 0 | 110 | L20 V30 T32 A50 K57 V58 | L20-A55 HydrophobicContact CD1-CB 4.38Å; V30-A55 CarbonylContact O-C 3.58Å; V30-A55 WeakPolarHBondContact O-CA 3.26Å; T32-A55 HydrophobicContact CG2-CB 3.89Å; A50-A55 HydrophobicContact CB-CB 4.19Å; A50-A55 VanDerWaalsContact O-CB 3.27Å; A50-A55 WeakPolarHBondContact O-CB 3.29Å; A50-A55 PolarHBondContact O-N 2.85Å; A55-K57 VanDerWaalsContact C-N 3.3Å; A55-K57 PolarHBondContact O-N 3.49Å; A55-V58 HydrophobicContact CB-CG2 4.12Å | ||
| 56 | K | 97.7 | Very high | 97.7 | Very high | 127 Ų | 127 | 52.1 Ų | 52.1 | 55% | 0.552 | 27% | 0.266 | S | S | * | . | S | Bend | trans | -66.3 | -34.3 | 175.9 | 178.2 | 174.4 | 175.8 | -179.4 | 0 | 111.9 | D29 V30 | D29-K56 HydrophobicContact CB-CD 3.71Å; D29-K56 IonicContact OD2-NZ 3.59Å; V30-K56 WeakPolarHBondContact O-CB 3.08Å; V30-K56 PolarHBondContact O-N 3.48Å |
| 57 | K | 98.3 | Very high | 97.9 | Very high | 83 Ų | 83 | 51.5 Ų | 51.5 | 36% | 0.361 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158 | 148.6 | -179.6 | -169 | 171.4 | -177.6 | 179.1 | 0 | 109.3 | I31 T32 A55 F59 E108 | I31-K57 CarbonylContact C-O 3.55Å; I31-K57 WeakPolarHBondContact CA-O 3.33Å; I31-K57 HydrophobicContact CG1-CB 4.13Å; I31-K57 HydrophobicContact CG2-CB 4.27Å; T32-K57 PolarHBondContact N-O 3.27Å; A55-K57 VanDerWaalsContact C-N 3.3Å; A55-K57 PolarHBondContact O-N 3.49Å; K57-F59 HydrophobicContact CD-CE2 3.62Å; K57-F59 HydrophobicContact CD-CZ 3.81Å; K57-F59 HydrophobicContact CG-CD2 4.41Å; K57-F59 HydrophobicContact CG-CE2 3.93Å; K57-F59 HydrophobicContact CG-CZ 4.42Å; K57-E108 WeakPolarHBondContact CD-OE2 3.45Å; K57-E108 IonicContact NZ-OE1 2.88Å; K57-E108 PolarHBondContact NZ-OE1 2.68Å; K57-E108 IonicContact NZ-OE2 3.77Å; K57-E108 PolarHBondContact NZ-OE2 2.68Å |
| 58 | V | 98.6 | Very high | 98 | Very high | 15 Ų | 15 | 48.8 Ų | 48.8 | 9% | 0.091 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 120.5 | 178 | -173 | 0 | 0 | 0 | 0 | 110.3 | T32 L34 R47 A50 E51 A55 I60 | T32-V58 WeakPolarHBondContact O-CA 3.36Å; T32-V58 WeakPolarHBondContact OG1-CG2 3.47Å; L34-V58 HydrophobicContact CD1-CG1 3.52Å; R47-V58 HydrophobicContact CB-CG1 4.2Å; R47-V58 HydrophobicContact CG-CB 4.16Å; R47-V58 HydrophobicContact CG-CG1 3.97Å; R47-V58 HydrophobicContact CG-CG2 4.4Å; R47-V58 PolarHBondContact NH1-O 3.47Å; R47-V58 VanDerWaalsContact NH1-O 3.08Å; A50-V58 HydrophobicContact CB-CG2 3.97Å; E51-V58 HydrophobicContact CG-CG2 3.72Å; A55-V58 HydrophobicContact CB-CG2 4.12Å; V58-I60 HydrophobicContact CG1-CG1 4.42Å |
| 59 | F | 98.7 | Very high | 98.1 | Very high | 18 Ų | 18 | 46.6 Ų | 46.6 | 8% | 0.079 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 134 | 169 | -70.7 | -88.5 | 0 | 0 | 0 | 109.9 | I31 T32 Y33 L34 K57 I104 E108 | I31-F59 HydrophobicContact CG2-CD2 3.56Å; I31-F59 HydrophobicContact CG2-CE2 3.67Å; T32-F59 PolarHBondContact O-N 3.34Å; Y33-F59 HydrophobicContact CD2-CB 4.26Å; L34-F59 PolarHBondContact N-O 2.67Å; K57-F59 HydrophobicContact CD-CE2 3.62Å; K57-F59 HydrophobicContact CD-CZ 3.81Å; K57-F59 HydrophobicContact CG-CD2 4.41Å; K57-F59 HydrophobicContact CG-CE2 3.93Å; K57-F59 HydrophobicContact CG-CZ 4.42Å; F59-I104 HydrophobicContact CB-CD1 3.91Å; F59-I104 HydrophobicContact CD1-CD1 4.37Å; F59-I104 HydrophobicContact CD1-CG1 4.48Å; F59-I104 HydrophobicContact CD2-CD1 4.49Å; F59-I104 HydrophobicContact CD2-CG2 3.66Å; F59-I104 HydrophobicContact CE2-CG2 3.6Å; F59-I104 HydrophobicContact CG-CD1 4.02Å; F59-I104 HydrophobicContact CG-CG1 4.43Å; F59-I104 HydrophobicContact CG-CG2 4.18Å; F59-I104 HydrophobicContact CZ-CG2 4.08Å; F59-E108 HydrophobicContact CE2-CG 4.02Å; F59-E108 HydrophobicContact CZ-CG 4.03Å; F59-E108 WeakPolarHBondContact CZ-OE1 3.44Å |
| 60 | I | 98.3 | Very high | 98.2 | Very high | 40 Ų | 40 | 48.5 Ų | 48.5 | 21% | 0.205 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 115.8 | 167 | -55 | 179.1 | 0 | 0 | 0 | 105.5 | L34 F43 E44 R47 V58 | L34-I60 HydrophobicContact CB-CG1 4.32Å; L34-I60 HydrophobicContact CD1-CG1 4.07Å; L34-I60 WeakPolarHBondContact O-CA 3.39Å; F43-I60 HydrophobicContact CB-CD1 4.08Å; F43-I60 HydrophobicContact CB-CG2 4.17Å; F43-I60 HydrophobicContact CD1-CG2 4.14Å; F43-I60 HydrophobicContact CG-CG2 4.32Å; E44-I60 WeakPolarHBondContact OE1-CD1 3.47Å; R47-I60 HydrophobicContact CB-CD1 4.02Å; R47-I60 VanDerWaalsContact CZ-CD1 3.47Å; R47-I60 VanDerWaalsContact NH2-CG1 3.29Å; V58-I60 HydrophobicContact CG1-CG1 4.42Å |
| 61 | E | 98.4 | Very high | 98.3 | Very high | 36 Ų | 36 | 48.5 Ų | 48.5 | 17% | 0.168 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 124.5 | -176.6 | -54.9 | -68.9 | 136.8 | 0 | 0 | 109.2 | Y33 L34 N36 L63 R100 I104 | Y33-E61 HydrophobicContact CD2-CG 4Å; Y33-E61 HydrophobicContact CE2-CB 3.86Å; Y33-E61 HydrophobicContact CE2-CG 3.57Å; L34-E61 PolarHBondContact O-N 2.61Å; N36-E61 PolarHBondContact N-O 2.67Å; E61-L63 HydrophobicContact CB-CD2 4.1Å; E61-L63 HydrophobicContact CB-CG 4.18Å; E61-L63 PolarHBondContact O-N 3.27Å; E61-R100 HydrophobicContact CB-CG 4.2Å; E61-R100 HydrophobicContact CG-CG 3.91Å; E61-R100 IonicContact OE1-NH2 3.61Å; E61-R100 IonicContact OE2-CZ 3.61Å; E61-R100 IonicContact OE2-NE 2.67Å; E61-R100 PolarHBondContact OE2-NE 3.07Å; E61-R100 IonicContact OE2-NH2 3.11Å; E61-R100 PolarHBondContact OE2-NH2 3.32Å; E61-I104 HydrophobicContact CG-CD1 4.05Å |
| 62 | D | 98.3 | Very high | 98.3 | Very high | 85 Ų | 85 | 43.8 Ų | 43.8 | 46% | 0.455 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 105.8 | 169.8 | -169.4 | -10.7 | 0 | 0 | 0 | 109.2 | R64 | D62-R64 WeakPolarHBondContact OD1-CB 3.27Å; D62-R64 VanDerWaalsContact OD1-CG 3.27Å; D62-R64 WeakPolarHBondContact OD1-CG 3.29Å; D62-R64 IonicContact OD1-CZ 3.48Å; D62-R64 PolarHBondContact OD1-N 3.11Å; D62-R64 IonicContact OD1-NE 3.89Å; D62-R64 PolarHBondContact OD1-NE 2.92Å; D62-R64 IonicContact OD1-NH2 3.7Å; D62-R64 IonicContact OD2-CZ 3.48Å; D62-R64 IonicContact OD2-NE 3.35Å; D62-R64 PolarHBondContact OD2-NE 3.12Å; D62-R64 IonicContact OD2-NH2 3.26Å; D62-R64 PolarHBondContact OD2-NH2 2.65Å |
| 63 | L | 98.7 | Very high | 98.4 | Very high | 6 Ų | 6 | 40.3 Ų | 40.3 | 3% | 0.031 | 21% | 0.206 | C | C | . | . | trans | -107.8 | 12.1 | -177.8 | -60.4 | -173.5 | 0 | 0 | 0 | 112.2 | Y33 A35 N36 E61 S65 D66 F67 R100 | Y33-L63 WeakPolarHBondContact OH-CD1 3.35Å; A35-L63 HydrophobicContact CB-CD1 4.27Å; N36-L63 PolarHBondContact O-N 2.86Å; E61-L63 HydrophobicContact CB-CD2 4.1Å; E61-L63 HydrophobicContact CB-CG 4.18Å; E61-L63 PolarHBondContact O-N 3.27Å; L63-S65 PolarHBondContact O-N 3.02Å; L63-D66 PolarHBondContact O-N 3.35Å; L63-F67 WeakPolarHBondContact O-CB 3.26Å; L63-F67 PolarHBondContact O-N 2.75Å; L63-R100 HydrophobicContact CD1-CB 3.85Å; L63-R100 HydrophobicContact CD1-CG 4.22Å; L63-R100 HydrophobicContact CD2-CB 4.3Å; L63-R100 HydrophobicContact CD2-CG 4.11Å | ||
| 64 | R | 98.8 | Very high | 98.5 | Very high | 86 Ų | 86 | 40.9 Ų | 40.9 | 33% | 0.325 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -62.5 | -44.2 | -173.3 | -67.1 | 176.6 | -64.1 | 160.1 | 2.4 | 112.2 | D62 F67 V68 L247 | D62-R64 WeakPolarHBondContact OD1-CB 3.27Å; D62-R64 VanDerWaalsContact OD1-CG 3.27Å; D62-R64 WeakPolarHBondContact OD1-CG 3.29Å; D62-R64 IonicContact OD1-CZ 3.48Å; D62-R64 PolarHBondContact OD1-N 3.11Å; D62-R64 IonicContact OD1-NE 3.89Å; D62-R64 PolarHBondContact OD1-NE 2.92Å; D62-R64 IonicContact OD1-NH2 3.7Å; D62-R64 IonicContact OD2-CZ 3.48Å; D62-R64 IonicContact OD2-NE 3.35Å; D62-R64 PolarHBondContact OD2-NE 3.12Å; D62-R64 IonicContact OD2-NH2 3.26Å; D62-R64 PolarHBondContact OD2-NH2 2.65Å; R64-F67 PolarHBondContact O-N 2.85Å; R64-V68 WeakPolarHBondContact O-CG2 3.48Å; R64-V68 PolarHBondContact O-N 2.66Å; R64-V68 VanDerWaalsContact O-N 3.13Å; R64-L247 HydrophobicContact CB-CD1 3.83Å; R64-L247 HydrophobicContact CB-CD2 3.97Å |
| 65 | S | 98.3 | Very high | 98.5 | Very high | 50 Ų | 50 | 39.9 Ų | 39.9 | 35% | 0.35 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -66 | -51 | 178.2 | -56.5 | 0 | 0 | 0 | 0 | 111.4 | L63 F67 V68 E69 | L63-S65 PolarHBondContact O-N 3.02Å; S65-F67 PolarHBondContact O-N 2.96Å; S65-V68 PolarHBondContact O-N 2.92Å; S65-V68 VanDerWaalsContact O-N 3.11Å; S65-E69 PolarHBondContact O-N 3.2Å |
| 66 | D | 98.3 | Very high | 98.6 | Very high | 70 Ų | 70 | 39.7 Ų | 39.7 | 37% | 0.374 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -53.9 | -42.3 | 174.7 | -71.6 | 18.4 | 0 | 0 | 0 | 111.8 | L63 V68 E69 D70 R99 | L63-D66 PolarHBondContact O-N 3.35Å; D66-V68 PolarHBondContact O-N 2.91Å; D66-E69 PolarHBondContact O-N 3.38Å; D66-D70 VanDerWaalsContact O-CB 3.27Å; D66-D70 WeakPolarHBondContact O-CB 3.24Å; D66-D70 PolarHBondContact O-N 3.47Å; D66-R99 IonicContact OD2-NH2 3.92Å; D66-R99 PolarHBondContact OD2-NH2 3.33Å |
| 67 | F | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -63.4 | -42.5 | -179.8 | -178 | -138.9 | 0 | 0 | 0 | 111.8 | I37 L63 R64 S65 F71 I72 I92 A93 C96 N183 L184 M185 | I37-F67 HydrophobicContact CD1-CB 4.01Å; I37-F67 HydrophobicContact CD1-CD1 3.9Å; I37-F67 HydrophobicContact CD1-CD2 3.81Å; I37-F67 HydrophobicContact CD1-CE1 4.3Å; I37-F67 HydrophobicContact CD1-CE2 4.25Å; I37-F67 HydrophobicContact CD1-CG 3.64Å; I37-F67 HydrophobicContact CD1-CZ 4.47Å; I37-F67 HydrophobicContact CG1-CB 3.84Å; I37-F67 HydrophobicContact CG1-CD1 3.33Å; I37-F67 HydrophobicContact CG1-CD2 4.18Å; I37-F67 HydrophobicContact CG1-CE1 3.85Å; I37-F67 HydrophobicContact CG1-CG 3.52Å; I37-F67 HydrophobicContact CG1-CZ 4.5Å; L63-F67 WeakPolarHBondContact O-CB 3.26Å; L63-F67 PolarHBondContact O-N 2.75Å; R64-F67 PolarHBondContact O-N 2.85Å; S65-F67 PolarHBondContact O-N 2.96Å; F67-F71 HydrophobicContact CD2-CB 3.82Å; F67-F71 HydrophobicContact CD2-CD2 4.3Å; F67-F71 HydrophobicContact CD2-CG 4.24Å; F67-F71 HydrophobicContact CE2-CB 4.05Å; F67-F71 WeakPolarHBondContact O-CB 3.39Å; F67-F71 PolarHBondContact O-N 3Å; F67-I72 HydrophobicContact CD1-CD1 3.99Å; F67-I72 HydrophobicContact CD1-CG1 4.48Å; F67-I72 HydrophobicContact CD2-CG1 4.46Å; F67-I72 HydrophobicContact CE1-CD1 3.88Å; F67-I72 HydrophobicContact CE1-CG1 4.29Å; F67-I72 HydrophobicContact CE2-CG1 4.23Å; F67-I72 HydrophobicContact CG-CD1 4.47Å; F67-I72 HydrophobicContact CZ-CD1 4.23Å; F67-I72 HydrophobicContact CZ-CG1 4.15Å; F67-I72 WeakPolarHBondContact O-CG1 3.26Å; F67-I72 PolarHBondContact O-N 3.45Å; F67-I92 HydrophobicContact CE2-CB 4.28Å; F67-I92 HydrophobicContact CE2-CD1 3.83Å; F67-I92 HydrophobicContact CE2-CG1 3.71Å; F67-I92 HydrophobicContact CZ-CD1 3.9Å; F67-I92 HydrophobicContact CZ-CG1 3.87Å; F67-A93 HydrophobicContact CE2-CB 3.95Å; F67-A93 HydrophobicContact CZ-CB 3.83Å; F67-C96 HydrophobicContact CD2-CB 4.25Å; F67-N183 HydrophobicContact CE1-CB 4.35Å; F67-L184 HydrophobicContact CD1-CB 4.05Å; F67-L184 HydrophobicContact CE1-CB 4.18Å; F67-M185 HydrophobicContact CE1-CB 3.95Å; F67-M185 HydrophobicContact CZ-CB 3.95Å |
| 68 | V | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.159 | C | C | . | . | I | π-helix | trans | -65.7 | -52.6 | 176.7 | 176.3 | 0 | 0 | 0 | 0 | 110.8 | R64 S65 D66 I72 W73 L184 P246 L247 F250 | R64-V68 WeakPolarHBondContact O-CG2 3.48Å; R64-V68 PolarHBondContact O-N 2.66Å; R64-V68 VanDerWaalsContact O-N 3.13Å; S65-V68 PolarHBondContact O-N 2.92Å; S65-V68 VanDerWaalsContact O-N 3.11Å; D66-V68 PolarHBondContact O-N 2.91Å; V68-I72 HydrophobicContact CG2-CD1 4.08Å; V68-I72 WeakPolarHBondContact O-CB 3.47Å; V68-I72 PolarHBondContact O-N 3.29Å; V68-W73 HydrophobicContact CG1-CD2 3.99Å; V68-W73 HydrophobicContact CG1-CE3 4.35Å; V68-W73 HydrophobicContact CG1-CH2 3.7Å; V68-W73 HydrophobicContact CG1-CZ2 3.26Å; V68-W73 HydrophobicContact CG1-CZ3 4.21Å; V68-W73 PolarHBondContact O-N 2.96Å; V68-L184 HydrophobicContact CG2-CD2 3.35Å; V68-P246 HydrophobicContact CG1-CB 3.75Å; V68-L247 HydrophobicContact CG2-CD1 4.25Å; V68-F250 HydrophobicContact CG1-CB 4.27Å; V68-F250 HydrophobicContact CG2-CB 4.2Å; V68-F250 HydrophobicContact CG2-CG 4.45Å |
| 69 | E | 98.6 | Very high | 98.7 | Very high | 95 Ų | 95 | 31.3 Ų | 31.3 | 44% | 0.444 | 16% | 0.16 | S | C | . | . | I | π-helix | trans | -73.7 | -45.1 | -169.7 | -68.2 | 179.1 | -148.5 | 0 | 0 | 112.9 | S65 D66 P246 | S65-E69 PolarHBondContact O-N 3.2Å; D66-E69 PolarHBondContact O-N 3.38Å; E69-P246 HydrophobicContact CG-CB 3.72Å; E69-P246 HydrophobicContact CG-CG 3.83Å |
| 70 | D | 98.6 | Very high | 98.7 | Very high | 67 Ų | 67 | 30.9 Ų | 30.9 | 36% | 0.358 | 16% | 0.16 | S | C | . | . | I | π-helix | trans | -90.5 | -17.4 | -173.4 | -66.3 | -21.8 | 0 | 0 | 0 | 113.2 | D66 P74 R99 W325 | D66-D70 VanDerWaalsContact O-CB 3.27Å; D66-D70 WeakPolarHBondContact O-CB 3.24Å; D66-D70 PolarHBondContact O-N 3.47Å; D70-P74 WeakPolarHBondContact O-CG 3.37Å; D70-R99 IonicContact OD2-CZ 3.54Å; D70-R99 VanDerWaalsContact OD2-CZ 3.3Å; D70-R99 IonicContact OD2-NH1 3.43Å; D70-R99 PolarHBondContact OD2-NH1 2.61Å; D70-R99 IonicContact OD2-NH2 2.83Å; D70-R99 PolarHBondContact OD2-NH2 3.43Å; D70-W325 WeakPolarHBondContact O-CZ2 3.38Å |
| 71 | F | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 16% | 0.16 | C | C | . | . | I | π-helix | trans | -127.3 | -48.8 | -171.7 | -56.7 | -94.1 | 0 | 0 | 0 | 114 | F67 S75 I92 P95 C96 W325 | F67-F71 HydrophobicContact CD2-CB 3.82Å; F67-F71 HydrophobicContact CD2-CD2 4.3Å; F67-F71 HydrophobicContact CD2-CG 4.24Å; F67-F71 HydrophobicContact CE2-CB 4.05Å; F67-F71 WeakPolarHBondContact O-CB 3.39Å; F67-F71 PolarHBondContact O-N 3Å; F71-S75 WeakPolarHBondContact O-CB 3.4Å; F71-S75 PolarHBondContact O-N 2.86Å; F71-S75 PolarHBondContact O-OG 3.2Å; F71-I92 HydrophobicContact CB-CB 4.36Å; F71-I92 WeakPolarHBondContact CD1-O 3.11Å; F71-P95 HydrophobicContact CD1-CG 3.97Å; F71-P95 HydrophobicContact CE1-CB 3.9Å; F71-P95 HydrophobicContact CE1-CG 3.84Å; F71-C96 HydrophobicContact CD1-CB 4.24Å; F71-C96 HydrophobicContact CD2-CB 3.68Å; F71-C96 HydrophobicContact CE1-CB 4Å; F71-C96 HydrophobicContact CE2-CB 3.4Å; F71-C96 VanDerWaalsContact CE2-CB 3.4Å; F71-C96 VanDerWaalsContact CE2-SG 3.6Å; F71-C96 HydrophobicContact CG-CB 4.1Å; F71-C96 HydrophobicContact CZ-CB 3.59Å; F71-W325 HydrophobicContact CB-CH2 4.22Å; F71-W325 AromaticContact CD1-CD2 3.99Å; F71-W325 HydrophobicContact CD1-CD2 3.99Å; F71-W325 AromaticContact CD1-CE2 3.57Å; F71-W325 HydrophobicContact CD1-CE3 4.23Å; F71-W325 AromaticContact CD1-CH2 3.83Å; F71-W325 HydrophobicContact CD1-CH2 3.83Å; F71-W325 AromaticContact CD1-CZ2 3.52Å; F71-W325 HydrophobicContact CD1-CZ2 3.52Å; F71-W325 HydrophobicContact CD1-CZ3 4.16Å; F71-W325 HydrophobicContact CE1-CD2 4.11Å; F71-W325 AromaticContact CE1-CE2 3.6Å; F71-W325 HydrophobicContact CE1-CG 4.45Å; F71-W325 AromaticContact CE1-CZ2 3.92Å; F71-W325 HydrophobicContact CE1-CZ2 3.92Å; F71-W325 AromaticContact CE1-NE1 3.56Å; F71-W325 HydrophobicContact CG-CH2 4.35Å; F71-W325 HydrophobicContact CG-CZ2 4.21Å |
| 72 | I | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 16% | 0.158 | C | C | . | . | I | π-helix | trans | -69.3 | -46.9 | 178.6 | -61.2 | 177.2 | 0 | 0 | 0 | 110.2 | F67 V68 S75 V76 I92 M185 F250 | F67-I72 HydrophobicContact CD1-CD1 3.99Å; F67-I72 HydrophobicContact CD1-CG1 4.48Å; F67-I72 HydrophobicContact CD2-CG1 4.46Å; F67-I72 HydrophobicContact CE1-CD1 3.88Å; F67-I72 HydrophobicContact CE1-CG1 4.29Å; F67-I72 HydrophobicContact CE2-CG1 4.23Å; F67-I72 HydrophobicContact CG-CD1 4.47Å; F67-I72 HydrophobicContact CZ-CD1 4.23Å; F67-I72 HydrophobicContact CZ-CG1 4.15Å; F67-I72 WeakPolarHBondContact O-CG1 3.26Å; F67-I72 PolarHBondContact O-N 3.45Å; V68-I72 HydrophobicContact CG2-CD1 4.08Å; V68-I72 WeakPolarHBondContact O-CB 3.47Å; V68-I72 PolarHBondContact O-N 3.29Å; I72-S75 CarbonylContact O-C 3.57Å; I72-S75 WeakPolarHBondContact O-CA 3.36Å; I72-S75 WeakPolarHBondContact O-CB 3.3Å; I72-S75 PolarHBondContact O-N 2.9Å; I72-V76 HydrophobicContact CG2-CG2 4.18Å; I72-V76 WeakPolarHBondContact O-CG2 3.44Å; I72-V76 PolarHBondContact O-N 3.43Å; I72-I92 HydrophobicContact CG1-CD1 3.77Å; I72-M185 HydrophobicContact CD1-CB 4.07Å; I72-M185 HydrophobicContact CD1-SD 4.12Å; I72-M185 HydrophobicContact CG1-SD 4.18Å; I72-M185 HydrophobicContact CG2-SD 3.97Å; I72-F250 HydrophobicContact CD1-CD1 4.14Å; I72-F250 HydrophobicContact CD1-CD2 4.44Å; I72-F250 HydrophobicContact CD1-CE1 3.91Å; I72-F250 HydrophobicContact CD1-CE2 4.24Å; I72-F250 HydrophobicContact CD1-CG 4.41Å; I72-F250 HydrophobicContact CD1-CZ 3.99Å; I72-F250 HydrophobicContact CG2-CD2 3.93Å; I72-F250 HydrophobicContact CG2-CE2 3.64Å; I72-F250 HydrophobicContact CG2-CZ 4.28Å |
| 73 | W | 98.8 | Very high | 98.7 | Very high | 14 Ų | 14 | 30 Ų | 30 | 5% | 0.053 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -59.5 | -47 | 179.8 | -67.5 | 164.9 | 0 | 0 | 0 | 114.5 | V68 S75 V76 Q77 V230 P231 P246 I249 F250 L289 | V68-W73 HydrophobicContact CG1-CD2 3.99Å; V68-W73 HydrophobicContact CG1-CE3 4.35Å; V68-W73 HydrophobicContact CG1-CH2 3.7Å; V68-W73 HydrophobicContact CG1-CZ2 3.26Å; V68-W73 HydrophobicContact CG1-CZ3 4.21Å; V68-W73 PolarHBondContact O-N 2.96Å; W73-S75 PolarHBondContact O-N 3.47Å; W73-V76 HydrophobicContact CE3-CG2 4.04Å; W73-V76 HydrophobicContact CZ3-CG2 4.32Å; W73-V76 PolarHBondContact O-N 3.34Å; W73-V76 VanDerWaalsContact O-N 3.16Å; W73-Q77 WeakPolarHBondContact O-CG 3.14Å; W73-Q77 PolarHBondContact O-N 3.31Å; W73-V230 HydrophobicContact CB-CG1 3.85Å; W73-V230 HydrophobicContact CG-CB 4.33Å; W73-V230 HydrophobicContact CG-CG1 4.08Å; W73-P231 HydrophobicContact CD2-CG 4.34Å; W73-P231 HydrophobicContact CE3-CG 4Å; W73-P231 HydrophobicContact CH2-CG 3.28Å; W73-P231 HydrophobicContact CZ2-CG 3.62Å; W73-P231 HydrophobicContact CZ3-CG 3.5Å; W73-P231 VanDerWaalsContact CZ3-CG 3.5Å; W73-P246 HydrophobicContact CZ2-CB 3.95Å; W73-I249 HydrophobicContact CH2-CG2 4.48Å; W73-F250 HydrophobicContact CH2-CB 4.07Å; W73-F250 HydrophobicContact CH2-CD2 4.02Å; W73-F250 HydrophobicContact CH2-CG 4.49Å; W73-F250 AromaticContact CZ3-CD2 3.89Å; W73-F250 HydrophobicContact CZ3-CD2 3.89Å; W73-L289 HydrophobicContact CH2-CD1 4.16Å; W73-L289 HydrophobicContact CZ3-CD1 3.53Å |
| 74 | P | 98.9 | Very high | 98.7 | Very high | 23 Ų | 23 | 37 Ų | 37 | 15% | 0.149 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -59.7 | -32.4 | 172.4 | -27.8 | 37.4 | 0 | 0 | 0 | 113.2 | D70 A78 W325 | D70-P74 WeakPolarHBondContact O-CG 3.37Å; P74-A78 VanDerWaalsContact O-CB 3.3Å; P74-A78 WeakPolarHBondContact O-CB 3.44Å; P74-A78 PolarHBondContact O-N 2.99Å; P74-W325 HydrophobicContact CB-CH2 4.12Å; P74-W325 HydrophobicContact CG-CH2 4.37Å |
| 75 | S | 98.8 | Very high | 98.7 | Very high | 8 Ų | 8 | 38.7 Ų | 38.7 | 6% | 0.056 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -71.8 | -36.2 | 176.9 | -55.9 | 0 | 0 | 0 | 0 | 112.7 | F71 I72 W73 A78 N79 A80 I92 | F71-S75 WeakPolarHBondContact O-CB 3.4Å; F71-S75 PolarHBondContact O-N 2.86Å; F71-S75 PolarHBondContact O-OG 3.2Å; I72-S75 CarbonylContact O-C 3.57Å; I72-S75 WeakPolarHBondContact O-CA 3.36Å; I72-S75 WeakPolarHBondContact O-CB 3.3Å; I72-S75 PolarHBondContact O-N 2.9Å; W73-S75 PolarHBondContact O-N 3.47Å; S75-A78 PolarHBondContact O-N 2.85Å; S75-N79 PolarHBondContact O-N 2.82Å; S75-A80 WeakPolarHBondContact O-CB 3.23Å; S75-A80 PolarHBondContact O-N 3.5Å; S75-I92 WeakPolarHBondContact OG-CG2 3.49Å |
| 76 | V | 98.8 | Very high | 98.7 | Very high | 10 Ų | 10 | 36.5 Ų | 36.5 | 6% | 0.061 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -64.9 | -51.5 | 171.5 | 171.8 | 0 | 0 | 0 | 0 | 110 | I72 W73 A78 N79 L289 H293 | I72-V76 HydrophobicContact CG2-CG2 4.18Å; I72-V76 WeakPolarHBondContact O-CG2 3.44Å; I72-V76 PolarHBondContact O-N 3.43Å; W73-V76 HydrophobicContact CE3-CG2 4.04Å; W73-V76 HydrophobicContact CZ3-CG2 4.32Å; W73-V76 PolarHBondContact O-N 3.34Å; W73-V76 VanDerWaalsContact O-N 3.16Å; V76-A78 PolarHBondContact O-N 3.17Å; V76-A78 VanDerWaalsContact O-N 3.17Å; V76-N79 PolarHBondContact O-N 3.18Å; V76-L289 HydrophobicContact CG1-CB 4.47Å; V76-L289 HydrophobicContact CG2-CB 4.16Å; V76-L289 HydrophobicContact CG2-CD1 3.98Å; V76-H293 HydrophobicContact CG1-CB 3.85Å; V76-H293 PolarHBondContact O-CE1 3.24Å; V76-H293 PolarHBondContact O-ND1 2.83Å; V76-H293 VanDerWaalsContact O-ND1 3.13Å |
| 77 | Q | 98.9 | Very high | 98.7 | Very high | 27 Ų | 27 | 34 Ų | 34 | 13% | 0.126 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -55.1 | -35.6 | 176 | -74.9 | -178.8 | -35.1 | 0 | 0 | 112.1 | W73 N79 N228 V230 K309 I337 Q341 | W73-Q77 WeakPolarHBondContact O-CG 3.14Å; W73-Q77 PolarHBondContact O-N 3.31Å; Q77-N79 VanDerWaalsContact C-N 3.3Å; Q77-N79 PolarHBondContact O-N 2.78Å; Q77-N228 PolarHBondContact NE2-O 3.41Å; Q77-V230 HydrophobicContact CG-CG1 4.13Å; Q77-K309 WeakPolarHBondContact O-CE 3.45Å; Q77-K309 PolarHBondContact O-NZ 3.33Å; Q77-I337 HydrophobicContact CB-CG2 3.94Å; Q77-Q341 HydrophobicContact CB-CG 3.97Å; Q77-Q341 HydrophobicContact CG-CG 3.91Å |
| 78 | A | 98.8 | Very high | 98.7 | Very high | 2 Ų | 2 | 34 Ų | 34 | 2% | 0.017 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -74.3 | -16.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | P74 S75 V76 A80 K309 F316 I337 | P74-A78 VanDerWaalsContact O-CB 3.3Å; P74-A78 WeakPolarHBondContact O-CB 3.44Å; P74-A78 PolarHBondContact O-N 2.99Å; S75-A78 PolarHBondContact O-N 2.85Å; V76-A78 PolarHBondContact O-N 3.17Å; V76-A78 VanDerWaalsContact O-N 3.17Å; A78-A80 HydrophobicContact CB-CB 4.09Å; A78-K309 PolarHBondContact O-NZ 3.12Å; A78-F316 HydrophobicContact CB-CB 4.35Å; A78-F316 HydrophobicContact CB-CD1 3.43Å; A78-F316 VanDerWaalsContact CB-CD1 3.43Å; A78-F316 HydrophobicContact CB-CE1 3.82Å; A78-F316 HydrophobicContact CB-CG 3.91Å; A78-I337 HydrophobicContact CB-CD1 3.78Å; A78-I337 HydrophobicContact CB-CG2 4.44Å |
| 79 | N | 98.7 | Very high | 98.7 | Very high | 21 Ų | 21 | 34 Ų | 34 | 11% | 0.112 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.5 | 46.8 | -160.2 | -63.3 | -52.2 | 0 | 0 | 0 | 110.8 | S75 V76 Q77 V81 L290 H293 L294 E297 K309 | S75-N79 PolarHBondContact O-N 2.82Å; V76-N79 PolarHBondContact O-N 3.18Å; Q77-N79 VanDerWaalsContact C-N 3.3Å; Q77-N79 PolarHBondContact O-N 2.78Å; N79-V81 PolarHBondContact O-N 3.45Å; N79-L290 HydrophobicContact CB-CD1 3.99Å; N79-H293 PolarHBondContact OD1-ND1 3.3Å; N79-L294 HydrophobicContact CB-CD2 4.01Å; N79-L294 HydrophobicContact CB-CG 4.47Å; N79-L294 WeakPolarHBondContact ND2-CD2 3.36Å; N79-E297 PolarHBondContact ND2-OE1 2.93Å; N79-E297 PolarHBondContact ND2-OE2 2.94Å; N79-K309 PolarHBondContact ND2-NZ 3.11Å; N79-K309 VanDerWaalsContact ND2-NZ 3.15Å |
| 80 | A | 98.7 | Very high | 98.7 | Very high | 8 Ų | 8 | 29.8 Ų | 29.8 | 7% | 0.066 | 15% | 0.149 | C | C | . | . | trans | -68.3 | 117.9 | -168.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | S75 A78 L88 F316 S317 | S75-A80 WeakPolarHBondContact O-CB 3.23Å; S75-A80 PolarHBondContact O-N 3.5Å; A78-A80 HydrophobicContact CB-CB 4.09Å; A80-L88 HydrophobicContact CB-CD1 3.88Å; A80-F316 HydrophobicContact CB-CD1 3.73Å; A80-F316 HydrophobicContact CB-CE1 3.77Å; A80-S317 WeakPolarHBondContact CA-OG 3.42Å; A80-S317 WeakPolarHBondContact CB-OG 3.37Å | ||
| 81 | V | 98.8 | Very high | 98.7 | Very high | 37 Ų | 37 | 26.7 Ų | 26.7 | 22% | 0.224 | 13% | 0.132 | C | C | . | . | trans | -140.4 | 118.7 | 175.9 | -170.7 | 0 | 0 | 0 | 0 | 108.9 | N79 Y86 L87 L290 S317 | N79-V81 PolarHBondContact O-N 3.45Å; V81-Y86 WeakPolarHBondContact CA-O 3.37Å; V81-L87 HydrophobicContact CB-CD2 4.48Å; V81-L87 HydrophobicContact CG1-CD2 4.33Å; V81-L87 HydrophobicContact CG2-CD2 3.79Å; V81-L290 HydrophobicContact CG2-CD1 4.18Å; V81-L290 HydrophobicContact CG2-CD2 3.79Å; V81-S317 PolarHBondContact N-OG 2.72Å; V81-S317 PolarHBondContact O-OG 2.94Å | ||
| 82 | Y | 98.8 | Very high | 98.7 | Very high | 28 Ų | 28 | 26.7 Ų | 26.7 | 11% | 0.11 | 13% | 0.132 | C | C | . | . | B | Isolated β-bridge | trans | -86.3 | 132.1 | 175.7 | -178.6 | -104 | 0 | 0 | 0 | 111.2 | D84 R85 Y86 L88 N270 Y321 | Y82-D84 PolarHBondContact O-N 2.88Å; Y82-D84 VanDerWaalsContact O-N 3.13Å; Y82-R85 PolarHBondContact O-N 2.85Å; Y82-R85 VanDerWaalsContact O-N 3.08Å; Y82-Y86 HydrophobicContact CD1-CD1 4.37Å; Y82-Y86 PolarHBondContact N-O 2.83Å; Y82-Y86 PolarHBondContact O-N 2.97Å; Y82-L88 HydrophobicContact CG-CD2 4.46Å; Y82-N270 PolarHBondContact OH-O 2.95Å; Y82-Y321 HydrophobicContact CD1-CD1 4.36Å; Y82-Y321 AromaticContact CD1-CD2 3.52Å; Y82-Y321 HydrophobicContact CD1-CD2 3.52Å; Y82-Y321 HydrophobicContact CD1-CE1 4.45Å; Y82-Y321 AromaticContact CD1-CE2 3.63Å; Y82-Y321 HydrophobicContact CD1-CE2 3.63Å; Y82-Y321 AromaticContact CD1-CG 3.91Å; Y82-Y321 HydrophobicContact CD1-CG 3.91Å; Y82-Y321 HydrophobicContact CD2-CD1 4.23Å; Y82-Y321 HydrophobicContact CD2-CD2 4.12Å; Y82-Y321 AromaticContact CD2-CG 3.75Å; Y82-Y321 HydrophobicContact CD2-CG 3.75Å; Y82-Y321 AromaticContact CE1-CD1 3.79Å; Y82-Y321 HydrophobicContact CE1-CD1 3.79Å; Y82-Y321 AromaticContact CE1-CD2 3.71Å; Y82-Y321 HydrophobicContact CE1-CD2 3.71Å; Y82-Y321 AromaticContact CE1-CE1 3.65Å; Y82-Y321 HydrophobicContact CE1-CE1 3.65Å; Y82-Y321 AromaticContact CE1-CE2 3.56Å; Y82-Y321 HydrophobicContact CE1-CE2 3.56Å; Y82-Y321 AromaticContact CE1-CG 3.82Å; Y82-Y321 HydrophobicContact CE1-CG 3.82Å; Y82-Y321 AromaticContact CE1-CZ 3.52Å; Y82-Y321 AromaticContact CE2-CD1 3.67Å; Y82-Y321 HydrophobicContact CE2-CD1 3.67Å; Y82-Y321 HydrophobicContact CE2-CD2 4.31Å; Y82-Y321 HydrophobicContact CE2-CE1 4.29Å; Y82-Y321 AromaticContact CE2-CG 3.67Å; Y82-Y321 HydrophobicContact CE2-CG 3.67Å; Y82-Y321 AromaticContact CG-CD2 3.73Å; Y82-Y321 HydrophobicContact CG-CD2 3.73Å; Y82-Y321 HydrophobicContact CG-CE2 4.32Å; Y82-Y321 AromaticContact CG-CG 3.86Å; Y82-Y321 HydrophobicContact CG-CG 3.86Å; Y82-Y321 AromaticContact CZ-CD1 3.4Å; Y82-Y321 VanDerWaalsContact CZ-CD1 3.4Å; Y82-Y321 AromaticContact CZ-CE1 3.55Å; Y82-Y321 AromaticContact CZ-CG 3.7Å; Y82-Y321 AromaticContact CZ-CZ 3.96Å; Y82-Y321 WeakPolarHBondContact OH-CE1 3.4Å |
| 83 | E | 98.5 | Very high | 98.7 | Very high | 77 Ų | 77 | 26.7 Ų | 26.7 | 36% | 0.36 | 13% | 0.132 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 44.9 | 44.2 | -176.7 | -63.6 | -169.3 | 132.6 | 0 | 0 | 112 | R85 E269 N270 | E83-R85 WeakPolarHBondContact O-CG 3.22Å; E83-R85 PolarHBondContact O-N 3.11Å; E83-E269 WeakPolarHBondContact OE2-CA 3.34Å; E83-N270 VanDerWaalsContact CD-ND2 3.28Å; E83-N270 WeakPolarHBondContact OE1-CB 3.47Å; E83-N270 PolarHBondContact OE1-ND2 2.84Å; E83-N270 PolarHBondContact OE2-N 2.9Å; E83-N270 PolarHBondContact OE2-ND2 3.12Å; E83-N270 VanDerWaalsContact OE2-ND2 3.14Å |
| 84 | D | 98.3 | Very high | 98.7 | Very high | 154 Ų | 154 | 27.1 Ų | 27.1 | 82% | 0.824 | 13% | 0.134 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61.7 | 4.5 | 176.9 | -49.7 | -57.9 | 0 | 0 | 0 | 116 | Y82 | Y82-D84 PolarHBondContact O-N 2.88Å; Y82-D84 VanDerWaalsContact O-N 3.13Å |
| 85 | R | 98.6 | Very high | 98.7 | Very high | 121 Ų | 121 | 26.2 Ų | 26.2 | 46% | 0.457 | 13% | 0.128 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -133.9 | -39.9 | -173.8 | -55.7 | -175.9 | 73.5 | -162 | -2.8 | 115.5 | Y82 E83 I265 D266 I267 | Y82-R85 PolarHBondContact O-N 2.85Å; Y82-R85 VanDerWaalsContact O-N 3.08Å; E83-R85 WeakPolarHBondContact O-CG 3.22Å; E83-R85 PolarHBondContact O-N 3.11Å; R85-I265 WeakPolarHBondContact O-CD1 3.47Å; R85-D266 VanDerWaalsContact CZ-O 3.28Å; R85-D266 PolarHBondContact NH1-O 3.01Å; R85-D266 PolarHBondContact NH2-O 2.91Å; R85-I267 HydrophobicContact CB-CG2 3.97Å |
| 86 | Y | 98.9 | Very high | 98.7 | Very high | 4 Ų | 4 | 25.9 Ų | 25.9 | 2% | 0.016 | 13% | 0.125 | C | C | . | . | B | Isolated β-bridge | trans | -93.2 | 125.9 | -168.4 | 174.9 | -137 | 0 | 0 | 0 | 113.2 | V81 Y82 L88 G89 T90 H186 I267 Y281 Y321 | V81-Y86 WeakPolarHBondContact CA-O 3.37Å; Y82-Y86 HydrophobicContact CD1-CD1 4.37Å; Y82-Y86 PolarHBondContact N-O 2.83Å; Y82-Y86 PolarHBondContact O-N 2.97Å; Y86-L88 VanDerWaalsContact C-N 3.26Å; Y86-L88 HydrophobicContact CD1-CD2 3.94Å; Y86-L88 HydrophobicContact CE1-CD2 3.95Å; Y86-L88 VanDerWaalsContact CE2-N 3.35Å; Y86-L88 PolarHBondContact O-N 3.24Å; Y86-G89 PolarHBondContact OH-N 3.34Å; Y86-T90 PolarHBondContact OH-N 3.12Å; Y86-T90 VanDerWaalsContact OH-N 3.14Å; Y86-H186 AromaticContact CE2-CE1 3.7Å; Y86-H186 AromaticContact CE2-ND1 3.8Å; Y86-H186 PolarHBondContact OH-CE1 2.91Å; Y86-I267 HydrophobicContact CG-CD1 4.46Å; Y86-Y281 HydrophobicContact CD2-CD1 4.09Å; Y86-Y281 HydrophobicContact CD2-CD2 4.22Å; Y86-Y281 HydrophobicContact CD2-CE1 4.04Å; Y86-Y281 HydrophobicContact CD2-CE2 4.15Å; Y86-Y281 HydrophobicContact CD2-CG 4.18Å; Y86-Y281 AromaticContact CE2-CD1 3.68Å; Y86-Y281 HydrophobicContact CE2-CD1 3.68Å; Y86-Y281 AromaticContact CE2-CE1 3.53Å; Y86-Y281 HydrophobicContact CE2-CE1 3.53Å; Y86-Y281 HydrophobicContact CE2-CE2 4.46Å; Y86-Y281 HydrophobicContact CE2-CG 4.23Å; Y86-Y281 AromaticContact CE2-CZ 3.94Å; Y86-Y281 AromaticContact CZ-CE1 4Å; Y86-Y321 AromaticContact CD1-CD2 3.9Å; Y86-Y321 HydrophobicContact CD1-CD2 3.9Å; Y86-Y321 AromaticContact CD1-CE2 3.91Å; Y86-Y321 HydrophobicContact CD1-CE2 3.91Å; Y86-Y321 AromaticContact CE1-CD2 3.88Å; Y86-Y321 HydrophobicContact CE1-CD2 3.88Å; Y86-Y321 AromaticContact CE1-CE2 3.91Å; Y86-Y321 HydrophobicContact CE1-CE2 3.91Å |
| 87 | L | 98.8 | Very high | 98.7 | Very high | 17 Ų | 17 | 26.1 Ų | 26.1 | 9% | 0.089 | 13% | 0.126 | C | C | . | . | trans | -87.5 | 19.6 | -179 | -56.3 | -171.4 | 0 | 0 | 0 | 114.6 | V81 G89 M185 T283 L290 | V81-L87 HydrophobicContact CB-CD2 4.48Å; V81-L87 HydrophobicContact CG1-CD2 4.33Å; V81-L87 HydrophobicContact CG2-CD2 3.79Å; L87-G89 PolarHBondContact O-N 3.04Å; L87-M185 HydrophobicContact CB-CE 4.22Å; L87-T283 HydrophobicContact CB-CG2 4.01Å; L87-T283 HydrophobicContact CD1-CG2 3.84Å; L87-T283 HydrophobicContact CG-CG2 4.47Å; L87-L290 HydrophobicContact CD2-CD2 3.73Å | ||
| 88 | L | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 12% | 0.12 | C | C | . | . | trans | 63.6 | 13.8 | 165 | -62.1 | 168.9 | 0 | 0 | 0 | 116.7 | A80 Y82 Y86 T90 A91 I92 V320 Y321 | A80-L88 HydrophobicContact CB-CD1 3.88Å; Y82-L88 HydrophobicContact CG-CD2 4.46Å; Y86-L88 VanDerWaalsContact C-N 3.26Å; Y86-L88 HydrophobicContact CD1-CD2 3.94Å; Y86-L88 HydrophobicContact CE1-CD2 3.95Å; Y86-L88 VanDerWaalsContact CE2-N 3.35Å; Y86-L88 PolarHBondContact O-N 3.24Å; L88-T90 VanDerWaalsContact C-N 3.35Å; L88-T90 PolarHBondContact O-N 3.41Å; L88-T90 VanDerWaalsContact O-N 3.14Å; L88-A91 HydrophobicContact CB-CB 4.21Å; L88-A91 HydrophobicContact CD2-CB 3.99Å; L88-A91 WeakPolarHBondContact O-CA 3.38Å; L88-A91 WeakPolarHBondContact O-CB 3.44Å; L88-A91 PolarHBondContact O-N 3.34Å; L88-I92 HydrophobicContact CB-CG2 4.17Å; L88-I92 WeakPolarHBondContact O-CG1 3.36Å; L88-I92 PolarHBondContact O-N 3.23Å; L88-V320 HydrophobicContact CB-CG1 4.35Å; L88-V320 HydrophobicContact CD1-CB 4.21Å; L88-V320 HydrophobicContact CD1-CG1 4.02Å; L88-V320 HydrophobicContact CD2-CG1 4.43Å; L88-Y321 HydrophobicContact CD2-CD2 3.88Å; L88-Y321 HydrophobicContact CD2-CG 4.33Å | ||
| 89 | G | 98.6 | Very high | 98.7 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -52 | -44.1 | -169.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | Y86 L87 I92 A93 N183 | Y86-G89 PolarHBondContact OH-N 3.34Å; L87-G89 PolarHBondContact O-N 3.04Å; G89-I92 WeakPolarHBondContact O-CG1 3.39Å; G89-A93 PolarHBondContact O-N 3.41Å; G89-N183 PolarHBondContact O-ND2 3.4Å |
| 90 | T | 98.7 | Very high | 98.7 | Very high | 8 Ų | 8 | 29.1 Ų | 29.1 | 5% | 0.049 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -71.1 | -40.8 | 173.8 | -64.9 | 0 | 0 | 0 | 0 | 111.1 | Y86 L88 I92 A93 R94 D123 D181 H186 | Y86-T90 PolarHBondContact OH-N 3.12Å; Y86-T90 VanDerWaalsContact OH-N 3.14Å; L88-T90 VanDerWaalsContact C-N 3.35Å; L88-T90 PolarHBondContact O-N 3.41Å; L88-T90 VanDerWaalsContact O-N 3.14Å; T90-I92 VanDerWaalsContact C-N 3.32Å; T90-I92 PolarHBondContact O-N 3.4Å; T90-A93 PolarHBondContact O-N 2.97Å; T90-R94 HydrophobicContact CG2-CG 4.45Å; T90-R94 WeakPolarHBondContact O-CG 3.21Å; T90-R94 PolarHBondContact O-N 2.88Å; T90-D123 WeakPolarHBondContact CG2-OD1 3.33Å; T90-D181 WeakPolarHBondContact CB-OD2 3.45Å; T90-D181 WeakPolarHBondContact CG2-OD2 3.16Å; T90-D181 PolarHBondContact OG1-OD2 3.11Å; T90-H186 PolarHBondContact N-CE1 2.85Å; T90-H186 PolarHBondContact N-NE2 3.22Å; T90-H186 PolarHBondContact OG1-CE1 2.93Å; T90-H186 PolarHBondContact OG1-NE2 3.37Å |
| 91 | A | 98.7 | Very high | 98.7 | Very high | 1 Ų | 1 | 28.8 Ų | 28.8 | 1% | 0.008 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -63.6 | -37.6 | -174.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | L88 P95 V320 | L88-A91 HydrophobicContact CB-CB 4.21Å; L88-A91 HydrophobicContact CD2-CB 3.99Å; L88-A91 WeakPolarHBondContact O-CA 3.38Å; L88-A91 WeakPolarHBondContact O-CB 3.44Å; L88-A91 PolarHBondContact O-N 3.34Å; A91-P95 WeakPolarHBondContact O-CD 3.2Å; A91-V320 HydrophobicContact CB-CG1 4.05Å |
| 92 | I | 98.6 | Very high | 98.7 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -79.1 | -25.7 | 176.2 | 59.8 | 164.4 | 0 | 0 | 0 | 113.1 | F67 F71 I72 S75 L88 G89 T90 P95 M185 V320 W325 | F67-I92 HydrophobicContact CE2-CB 4.28Å; F67-I92 HydrophobicContact CE2-CD1 3.83Å; F67-I92 HydrophobicContact CE2-CG1 3.71Å; F67-I92 HydrophobicContact CZ-CD1 3.9Å; F67-I92 HydrophobicContact CZ-CG1 3.87Å; F71-I92 HydrophobicContact CB-CB 4.36Å; F71-I92 WeakPolarHBondContact CD1-O 3.11Å; I72-I92 HydrophobicContact CG1-CD1 3.77Å; S75-I92 WeakPolarHBondContact OG-CG2 3.49Å; L88-I92 HydrophobicContact CB-CG2 4.17Å; L88-I92 WeakPolarHBondContact O-CG1 3.36Å; L88-I92 PolarHBondContact O-N 3.23Å; G89-I92 WeakPolarHBondContact O-CG1 3.39Å; T90-I92 VanDerWaalsContact C-N 3.32Å; T90-I92 PolarHBondContact O-N 3.4Å; I92-P95 WeakPolarHBondContact O-CD 3.37Å; I92-P95 WeakPolarHBondContact O-CG 3.01Å; I92-M185 HydrophobicContact CD1-CG 4.19Å; I92-V320 HydrophobicContact CG2-CG1 3.43Å; I92-V320 VanDerWaalsContact CG2-CG1 3.43Å; I92-W325 HydrophobicContact CG2-CZ3 4.25Å |
| 93 | A | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -69.7 | -37.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | I37 F67 G89 T90 C96 I97 | I37-A93 HydrophobicContact CD1-CB 3.86Å; F67-A93 HydrophobicContact CE2-CB 3.95Å; F67-A93 HydrophobicContact CZ-CB 3.83Å; G89-A93 PolarHBondContact O-N 3.41Å; T90-A93 PolarHBondContact O-N 2.97Å; A93-C96 WeakPolarHBondContact O-CB 3.26Å; A93-C96 PolarHBondContact O-N 3.32Å; A93-I97 WeakPolarHBondContact O-CG1 3.41Å; A93-I97 PolarHBondContact O-N 3.27Å |
| 94 | R | 98.8 | Very high | 98.8 | Very high | 24 Ų | 24 | 25.8 Ų | 25.8 | 9% | 0.091 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -59.2 | -47.1 | -177.1 | -61.2 | -36 | -178.2 | -140.7 | 2.9 | 114.9 | T90 C96 I97 A98 D123 R126 F127 D181 | T90-R94 HydrophobicContact CG2-CG 4.45Å; T90-R94 WeakPolarHBondContact O-CG 3.21Å; T90-R94 PolarHBondContact O-N 2.88Å; R94-C96 VanDerWaalsContact C-N 3.27Å; R94-C96 PolarHBondContact O-N 3.25Å; R94-I97 PolarHBondContact O-N 2.83Å; R94-A98 VanDerWaalsContact O-CB 3.26Å; R94-A98 WeakPolarHBondContact O-CB 3.27Å; R94-A98 PolarHBondContact O-N 3.43Å; R94-D123 HydrophobicContact CG-CB 4.43Å; R94-D123 IonicContact CZ-OD2 3.15Å; R94-D123 VanDerWaalsContact CZ-OD2 3.26Å; R94-D123 IonicContact NE-OD1 2.61Å; R94-D123 PolarHBondContact NE-OD1 3.39Å; R94-D123 IonicContact NE-OD2 3.64Å; R94-D123 PolarHBondContact NE-OD2 3.45Å; R94-D123 IonicContact NH2-OD2 3.91Å; R94-D123 PolarHBondContact NH2-OD2 3.19Å; R94-R126 HydrophobicContact CB-CB 3.63Å; R94-R126 HydrophobicContact CG-CB 4.04Å; R94-F127 HydrophobicContact CG-CE2 4.32Å; R94-D181 IonicContact CZ-OD1 3.87Å; R94-D181 IonicContact CZ-OD2 2.75Å; R94-D181 IonicContact NH1-OD1 3.54Å; R94-D181 PolarHBondContact NH1-OD1 3.47Å; R94-D181 IonicContact NH1-OD2 3.54Å; R94-D181 PolarHBondContact NH1-OD2 3.26Å; R94-D181 IonicContact NH2-OD1 2.66Å; R94-D181 PolarHBondContact NH2-OD1 3.23Å; R94-D181 IonicContact NH2-OD2 2.85Å; R94-D181 PolarHBondContact NH2-OD2 2.98Å |
| 95 | P | 98.9 | Very high | 98.8 | Very high | 3 Ų | 3 | 18.5 Ų | 18.5 | 2% | 0.019 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -65.6 | -27.7 | 176.2 | 26.2 | -35.6 | 0 | 0 | 0 | 113.2 | F71 A91 I92 R99 W325 Y326 | F71-P95 HydrophobicContact CD1-CG 3.97Å; F71-P95 HydrophobicContact CE1-CB 3.9Å; F71-P95 HydrophobicContact CE1-CG 3.84Å; A91-P95 WeakPolarHBondContact O-CD 3.2Å; I92-P95 WeakPolarHBondContact O-CD 3.37Å; I92-P95 WeakPolarHBondContact O-CG 3.01Å; P95-R99 VanDerWaalsContact O-CB 3.22Å; P95-R99 WeakPolarHBondContact O-CB 3.37Å; P95-R99 PolarHBondContact O-N 2.86Å; P95-W325 HydrophobicContact CB-CB 3.61Å; P95-W325 HydrophobicContact CB-CD2 4.34Å; P95-W325 HydrophobicContact CB-CG 3.65Å; P95-W325 HydrophobicContact CG-CB 3.78Å; P95-W325 HydrophobicContact CG-CD2 3.99Å; P95-W325 HydrophobicContact CG-CE3 4.24Å; P95-W325 HydrophobicContact CG-CG 3.77Å; P95-Y326 HydrophobicContact CB-CD2 4.18Å; P95-Y326 HydrophobicContact CB-CE2 3.64Å |
| 96 | C | 98.8 | Very high | 98.8 | Very high | 1 Ų | 1 | 18.5 Ų | 18.5 | 1% | 0.007 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -65.6 | -51.3 | 171.8 | -175.9 | 0 | 0 | 0 | 0 | 111.3 | I37 F67 F71 A93 R94 A98 R99 R100 | I37-C96 HydrophobicContact CD1-CB 4.04Å; F67-C96 HydrophobicContact CD2-CB 4.25Å; F71-C96 HydrophobicContact CD1-CB 4.24Å; F71-C96 HydrophobicContact CD2-CB 3.68Å; F71-C96 HydrophobicContact CE1-CB 4Å; F71-C96 HydrophobicContact CE2-CB 3.4Å; F71-C96 VanDerWaalsContact CE2-CB 3.4Å; F71-C96 VanDerWaalsContact CE2-SG 3.6Å; F71-C96 HydrophobicContact CG-CB 4.1Å; F71-C96 HydrophobicContact CZ-CB 3.59Å; A93-C96 WeakPolarHBondContact O-CB 3.26Å; A93-C96 PolarHBondContact O-N 3.32Å; R94-C96 VanDerWaalsContact C-N 3.27Å; R94-C96 PolarHBondContact O-N 3.25Å; C96-A98 PolarHBondContact O-N 3.34Å; C96-R99 PolarHBondContact O-N 3.26Å; C96-R100 PolarHBondContact O-N 2.89Å |
| 97 | I | 98.9 | Very high | 98.7 | Very high | 15 Ų | 15 | 25.3 Ų | 25.3 | 8% | 0.077 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -62.3 | -47.1 | 179.6 | -61.8 | 166.8 | 0 | 0 | 0 | 110.6 | Y33 A35 I37 A93 R94 R100 Q101 F127 | Y33-I97 HydrophobicContact CE1-CG2 3.78Å; Y33-I97 WeakPolarHBondContact CE1-O 3.5Å; Y33-I97 PolarHBondContact OH-O 3.43Å; A35-I97 HydrophobicContact CB-CB 4.4Å; A35-I97 HydrophobicContact CB-CD1 4.45Å; A35-I97 HydrophobicContact CB-CG1 3.85Å; A35-I97 HydrophobicContact CB-CG2 3.93Å; I37-I97 HydrophobicContact CD1-CD1 4.33Å; I37-I97 HydrophobicContact CD1-CG1 3.93Å; I37-I97 HydrophobicContact CG2-CD1 4.49Å; A93-I97 WeakPolarHBondContact O-CG1 3.41Å; A93-I97 PolarHBondContact O-N 3.27Å; R94-I97 PolarHBondContact O-N 2.83Å; I97-R100 PolarHBondContact O-N 3.35Å; I97-Q101 PolarHBondContact O-N 3.31Å; I97-F127 HydrophobicContact CB-CE1 4.15Å; I97-F127 HydrophobicContact CB-CZ 4.35Å; I97-F127 HydrophobicContact CG2-CE1 3.68Å; I97-F127 HydrophobicContact CG2-CZ 3.92Å |
| 98 | A | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -67.7 | -36 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | R94 C96 R100 Q101 V102 F127 T130 | R94-A98 VanDerWaalsContact O-CB 3.26Å; R94-A98 WeakPolarHBondContact O-CB 3.27Å; R94-A98 PolarHBondContact O-N 3.43Å; C96-A98 PolarHBondContact O-N 3.34Å; A98-R100 PolarHBondContact O-N 2.82Å; A98-Q101 PolarHBondContact O-N 3.16Å; A98-V102 WeakPolarHBondContact O-CG2 3.27Å; A98-V102 PolarHBondContact O-N 2.85Å; A98-F127 HydrophobicContact CB-CD1 3.75Å; A98-F127 HydrophobicContact CB-CE1 4.25Å; A98-T130 HydrophobicContact CB-CG2 3.43Å; A98-T130 VanDerWaalsContact CB-CG2 3.43Å |
| 99 | R | 98.8 | Very high | 98.6 | Very high | 48 Ų | 48 | 30 Ų | 30 | 18% | 0.181 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -53.8 | -53.3 | 171.4 | 176.4 | -179.6 | 70.3 | -172.2 | 10.9 | 110.6 | D66 D70 P95 C96 Q101 V102 E103 L134 Y326 | D66-R99 IonicContact OD2-NH2 3.92Å; D66-R99 PolarHBondContact OD2-NH2 3.33Å; D70-R99 IonicContact OD2-CZ 3.54Å; D70-R99 VanDerWaalsContact OD2-CZ 3.3Å; D70-R99 IonicContact OD2-NH1 3.43Å; D70-R99 PolarHBondContact OD2-NH1 2.61Å; D70-R99 IonicContact OD2-NH2 2.83Å; D70-R99 PolarHBondContact OD2-NH2 3.43Å; P95-R99 VanDerWaalsContact O-CB 3.22Å; P95-R99 WeakPolarHBondContact O-CB 3.37Å; P95-R99 PolarHBondContact O-N 2.86Å; C96-R99 PolarHBondContact O-N 3.26Å; R99-Q101 PolarHBondContact O-N 3.2Å; R99-V102 PolarHBondContact O-N 2.95Å; R99-E103 WeakPolarHBondContact CG-OE1 3.43Å; R99-E103 WeakPolarHBondContact O-CG 3.42Å; R99-E103 PolarHBondContact O-N 3.48Å; R99-E103 VanDerWaalsContact O-N 3.08Å; R99-L134 HydrophobicContact CB-CD1 3.91Å; R99-L134 HydrophobicContact CG-CD1 4.07Å; R99-Y326 HydrophobicContact CB-CE2 4.49Å; R99-Y326 WeakPolarHBondContact CB-OH 3.34Å; R99-Y326 WeakPolarHBondContact CD-OH 3.13Å |
| 100 | R | 98.8 | Very high | 98.6 | Very high | 66 Ų | 66 | 30 Ų | 30 | 25% | 0.249 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -67.8 | -35 | -179.1 | -175.7 | 59.9 | 174.8 | 174.2 | -3.8 | 112.8 | Y33 E61 L63 C96 I97 A98 V102 E103 I104 | Y33-R100 HydrophobicContact CE2-CG 3.99Å; Y33-R100 WeakPolarHBondContact OH-CB 3.49Å; E61-R100 HydrophobicContact CB-CG 4.2Å; E61-R100 HydrophobicContact CG-CG 3.91Å; E61-R100 IonicContact OE1-NH2 3.61Å; E61-R100 IonicContact OE2-CZ 3.61Å; E61-R100 IonicContact OE2-NE 2.67Å; E61-R100 PolarHBondContact OE2-NE 3.07Å; E61-R100 IonicContact OE2-NH2 3.11Å; E61-R100 PolarHBondContact OE2-NH2 3.32Å; L63-R100 HydrophobicContact CD1-CB 3.85Å; L63-R100 HydrophobicContact CD1-CG 4.22Å; L63-R100 HydrophobicContact CD2-CB 4.3Å; L63-R100 HydrophobicContact CD2-CG 4.11Å; C96-R100 PolarHBondContact O-N 2.89Å; I97-R100 PolarHBondContact O-N 3.35Å; A98-R100 PolarHBondContact O-N 2.82Å; R100-V102 VanDerWaalsContact C-N 3.32Å; R100-V102 PolarHBondContact O-N 3.3Å; R100-E103 WeakPolarHBondContact CD-OE2 3.33Å; R100-E103 IonicContact CZ-OE2 3.37Å; R100-E103 IonicContact NE-OE2 3.79Å; R100-E103 IonicContact NH1-OE2 2.84Å; R100-E103 PolarHBondContact NH1-OE2 3.46Å; R100-E103 PolarHBondContact O-N 3.08Å; R100-I104 HydrophobicContact CG-CD1 4.13Å; R100-I104 WeakPolarHBondContact O-CG1 3.39Å; R100-I104 PolarHBondContact O-N 3.33Å |
| 101 | Q | 98.9 | Very high | 98.5 | Very high | 1 Ų | 1 | 34.5 Ų | 34.5 | 1% | 0.005 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -59 | -43.8 | 173.7 | -172.9 | 177.5 | 16 | 0 | 0 | 111.8 | V7 Y33 I97 A98 R99 I104 A105 V113 S114 | V7-Q101 HydrophobicContact CB-CG 4.46Å; V7-Q101 HydrophobicContact CG1-CG 3.95Å; V7-Q101 PolarHBondContact O-NE2 3.42Å; Y33-Q101 HydrophobicContact CD1-CB 3.81Å; Y33-Q101 HydrophobicContact CD1-CG 4.06Å; Y33-Q101 HydrophobicContact CE1-CB 3.79Å; I97-Q101 PolarHBondContact O-N 3.31Å; A98-Q101 PolarHBondContact O-N 3.16Å; R99-Q101 PolarHBondContact O-N 3.2Å; Q101-I104 PolarHBondContact O-N 2.96Å; Q101-A105 WeakPolarHBondContact O-CB 3.4Å; Q101-A105 PolarHBondContact O-N 2.92Å; Q101-V113 HydrophobicContact CG-CB 4.46Å; Q101-V113 HydrophobicContact CG-CG1 4.15Å; Q101-S114 PolarHBondContact NE2-O 2.96Å |
| 102 | V | 98.8 | Very high | 98.5 | Very high | 1 Ų | 1 | 35.7 Ų | 35.7 | 1% | 0.006 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -64.2 | -42.7 | 176.3 | 163.8 | 0 | 0 | 0 | 0 | 111.6 | A98 R99 R100 I104 A105 R106 C131 L134 Y135 | A98-V102 WeakPolarHBondContact O-CG2 3.27Å; A98-V102 PolarHBondContact O-N 2.85Å; R99-V102 PolarHBondContact O-N 2.95Å; R100-V102 VanDerWaalsContact C-N 3.32Å; R100-V102 PolarHBondContact O-N 3.3Å; V102-I104 VanDerWaalsContact C-N 3.34Å; V102-I104 PolarHBondContact O-N 3.49Å; V102-A105 PolarHBondContact O-N 3.33Å; V102-R106 WeakPolarHBondContact O-CG 3.23Å; V102-R106 PolarHBondContact O-N 3.35Å; V102-C131 HydrophobicContact CG2-CB 4.21Å; V102-L134 HydrophobicContact CG1-CB 4.04Å; V102-L134 HydrophobicContact CG2-CB 4.42Å; V102-Y135 HydrophobicContact CG1-CD1 4.3Å; V102-Y135 HydrophobicContact CG1-CG 4.34Å |
| 103 | E | 98.8 | Very high | 98.5 | Very high | 76 Ų | 76 | 35.8 Ų | 35.8 | 36% | 0.355 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -59.9 | -44.5 | 176.4 | -70.3 | 167.6 | -170.7 | 0 | 0 | 111.8 | R99 R100 R106 K107 | R99-E103 WeakPolarHBondContact CG-OE1 3.43Å; R99-E103 WeakPolarHBondContact O-CG 3.42Å; R99-E103 PolarHBondContact O-N 3.48Å; R99-E103 VanDerWaalsContact O-N 3.08Å; R100-E103 WeakPolarHBondContact CD-OE2 3.33Å; R100-E103 IonicContact CZ-OE2 3.37Å; R100-E103 IonicContact NE-OE2 3.79Å; R100-E103 IonicContact NH1-OE2 2.84Å; R100-E103 PolarHBondContact NH1-OE2 3.46Å; R100-E103 PolarHBondContact O-N 3.08Å; E103-R106 PolarHBondContact O-N 3.48Å; E103-K107 WeakPolarHBondContact O-CB 3.3Å; E103-K107 PolarHBondContact O-N 3.22Å |
| 104 | I | 98.8 | Very high | 98.5 | Very high | 2 Ų | 2 | 35.9 Ų | 35.9 | 1% | 0.01 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -63.2 | -45.4 | 174.9 | -67.1 | 165.7 | 0 | 0 | 0 | 110.3 | V7 Y33 F59 E61 R100 Q101 V102 R106 K107 E108 | V7-I104 HydrophobicContact CG1-CG2 4.03Å; V7-I104 HydrophobicContact CG2-CG2 4.16Å; Y33-I104 HydrophobicContact CD1-CD1 4.47Å; Y33-I104 HydrophobicContact CD2-CD1 3.41Å; Y33-I104 VanDerWaalsContact CD2-CD1 3.41Å; Y33-I104 HydrophobicContact CE2-CD1 3.87Å; Y33-I104 HydrophobicContact CG-CD1 3.76Å; F59-I104 HydrophobicContact CB-CD1 3.91Å; F59-I104 HydrophobicContact CD1-CD1 4.37Å; F59-I104 HydrophobicContact CD1-CG1 4.48Å; F59-I104 HydrophobicContact CD2-CD1 4.49Å; F59-I104 HydrophobicContact CD2-CG2 3.66Å; F59-I104 HydrophobicContact CE2-CG2 3.6Å; F59-I104 HydrophobicContact CG-CD1 4.02Å; F59-I104 HydrophobicContact CG-CG1 4.43Å; F59-I104 HydrophobicContact CG-CG2 4.18Å; F59-I104 HydrophobicContact CZ-CG2 4.08Å; E61-I104 HydrophobicContact CG-CD1 4.05Å; R100-I104 HydrophobicContact CG-CD1 4.13Å; R100-I104 WeakPolarHBondContact O-CG1 3.39Å; R100-I104 PolarHBondContact O-N 3.33Å; Q101-I104 PolarHBondContact O-N 2.96Å; V102-I104 VanDerWaalsContact C-N 3.34Å; V102-I104 PolarHBondContact O-N 3.49Å; I104-R106 VanDerWaalsContact C-N 3.31Å; I104-R106 PolarHBondContact O-N 3.47Å; I104-K107 PolarHBondContact O-N 2.73Å; I104-E108 HydrophobicContact CG2-CG 4.23Å; I104-E108 WeakPolarHBondContact O-CB 3.32Å; I104-E108 WeakPolarHBondContact O-CG 3.34Å; I104-E108 PolarHBondContact O-N 3.46Å |
| 105 | A | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -58.6 | -44 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | V7 Q101 V102 E108 G109 A110 V113 | V7-A105 HydrophobicContact CB-CB 4.45Å; V7-A105 HydrophobicContact CG2-CB 3.91Å; Q101-A105 WeakPolarHBondContact O-CB 3.4Å; Q101-A105 PolarHBondContact O-N 2.92Å; V102-A105 PolarHBondContact O-N 3.33Å; A105-E108 PolarHBondContact O-N 3.32Å; A105-G109 PolarHBondContact O-N 2.78Å; A105-G109 VanDerWaalsContact O-N 3.09Å; A105-A110 HydrophobicContact CB-CB 4.12Å; A105-A110 PolarHBondContact O-N 3.3Å; A105-V113 HydrophobicContact CB-CG1 3.83Å |
| 106 | R | 98.4 | Very high | 98.4 | Very high | 121 Ų | 121 | 35.6 Ų | 35.6 | 46% | 0.457 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -63.7 | -47.1 | 174.7 | -75.2 | 177.5 | 161.1 | 144 | -5 | 112.6 | V102 E103 I104 E108 G109 L134 Y135 | V102-R106 WeakPolarHBondContact O-CG 3.23Å; V102-R106 PolarHBondContact O-N 3.35Å; E103-R106 PolarHBondContact O-N 3.48Å; I104-R106 VanDerWaalsContact C-N 3.31Å; I104-R106 PolarHBondContact O-N 3.47Å; R106-E108 PolarHBondContact O-N 2.95Å; R106-G109 PolarHBondContact O-N 2.83Å; R106-G109 VanDerWaalsContact O-N 3.13Å; R106-L134 PolarHBondContact NH1-O 3.45Å; R106-L134 PolarHBondContact NH2-O 3.11Å; R106-Y135 HydrophobicContact CG-CD1 3.94Å; R106-Y135 HydrophobicContact CG-CE1 3.92Å; R106-Y135 HydrophobicContact CG-CG 4.35Å |
| 107 | K | 98.3 | Very high | 98.2 | Very high | 147 Ų | 147 | 36.6 Ų | 36.6 | 64% | 0.639 | 18% | 0.182 | S | C | * | . | H | α-helix | trans | -57.4 | -39.2 | 179 | 178.2 | 179.5 | 175.1 | 178.2 | 0 | 112.1 | E103 I104 | E103-K107 WeakPolarHBondContact O-CB 3.3Å; E103-K107 PolarHBondContact O-N 3.22Å; I104-K107 PolarHBondContact O-N 2.73Å |
| 108 | E | 98.2 | Very high | 97.8 | Very high | 59 Ų | 59 | 39 Ų | 39 | 28% | 0.276 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | 2.7 | -177.7 | -59.1 | -67.6 | 132.8 | 0 | 0 | 113.1 | I31 K57 F59 I104 A105 R106 A110 | I31-E108 HydrophobicContact CD1-CB 3.74Å; I31-E108 HydrophobicContact CD1-CG 3.75Å; K57-E108 WeakPolarHBondContact CD-OE2 3.45Å; K57-E108 IonicContact NZ-OE1 2.88Å; K57-E108 PolarHBondContact NZ-OE1 2.68Å; K57-E108 IonicContact NZ-OE2 3.77Å; K57-E108 PolarHBondContact NZ-OE2 2.68Å; F59-E108 HydrophobicContact CE2-CG 4.02Å; F59-E108 HydrophobicContact CZ-CG 4.03Å; F59-E108 WeakPolarHBondContact CZ-OE1 3.44Å; I104-E108 HydrophobicContact CG2-CG 4.23Å; I104-E108 WeakPolarHBondContact O-CB 3.32Å; I104-E108 WeakPolarHBondContact O-CG 3.34Å; I104-E108 PolarHBondContact O-N 3.46Å; A105-E108 PolarHBondContact O-N 3.32Å; R106-E108 PolarHBondContact O-N 2.95Å; E108-A110 PolarHBondContact O-N 2.75Å |
| 109 | G | 97.4 | Very high | 97.3 | Very high | 56 Ų | 56 | 40.7 Ų | 40.7 | 58% | 0.577 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61.5 | 25.4 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | A105 R106 | A105-G109 PolarHBondContact O-N 2.78Å; A105-G109 VanDerWaalsContact O-N 3.09Å; R106-G109 PolarHBondContact O-N 2.83Å; R106-G109 VanDerWaalsContact O-N 3.13Å |
| 110 | A | 97.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 24% | 0.236 | C | C | . | . | trans | -72.2 | 131.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | T5 V7 A105 E108 | T5-A110 HydrophobicContact CG2-CB 3.92Å; V7-A110 HydrophobicContact CG2-CB 3.8Å; A105-A110 HydrophobicContact CB-CB 4.12Å; A105-A110 PolarHBondContact O-N 3.3Å; E108-A110 PolarHBondContact O-N 2.75Å | ||
| 111 | Q | 96.8 | Very high | 96.5 | Very high | 104 Ų | 104 | 42.5 Ų | 42.5 | 49% | 0.486 | 23% | 0.229 | S | C | . | . | S | Bend | trans | -84.6 | -19.3 | 178.3 | -63.6 | 150.2 | -26.4 | 0 | 0 | 111.5 | T5 K139 | T5-Q111 PolarHBondContact O-N 3.08Å; Q111-K139 PolarHBondContact O-N 3.46Å |
| 112 | F | 98.8 | Very high | 96.4 | Very high | 26 Ų | 26 | 42.9 Ų | 42.9 | 11% | 0.114 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 145.7 | -173.2 | -56.2 | -92.8 | 0 | 0 | 0 | 112.5 | T5 V6 V7 Y28 K139 I141 | T5-F112 PolarHBondContact O-N 3.42Å; V6-F112 WeakPolarHBondContact CA-O 3.21Å; V6-F112 HydrophobicContact CB-CB 3.83Å; V6-F112 HydrophobicContact CG2-CB 3.82Å; V7-F112 PolarHBondContact N-O 2.99Å; Y28-F112 HydrophobicContact CD1-CD2 4.48Å; Y28-F112 HydrophobicContact CE1-CD2 4.25Å; Y28-F112 HydrophobicContact CE1-CE1 4.44Å; Y28-F112 HydrophobicContact CE1-CE2 4.06Å; Y28-F112 HydrophobicContact CE1-CZ 4.16Å; F112-K139 CarbonylContact C-O 3.41Å; F112-K139 WeakPolarHBondContact CA-O 3.42Å; F112-K139 HydrophobicContact CD1-CB 3.34Å; F112-K139 HydrophobicContact CD1-CD 4.26Å; F112-K139 HydrophobicContact CD1-CG 4.42Å; F112-K139 HydrophobicContact CE1-CB 3.51Å; F112-K139 HydrophobicContact CE1-CD 3.57Å; F112-K139 HydrophobicContact CE1-CG 4.18Å; F112-K139 HydrophobicContact CG-CB 4.22Å; F112-K139 HydrophobicContact CZ-CB 4.49Å; F112-K139 HydrophobicContact CZ-CD 3.91Å; F112-I141 HydrophobicContact CB-CD1 4.03Å; F112-I141 HydrophobicContact CB-CG1 4.39Å; F112-I141 HydrophobicContact CD1-CD1 3.73Å; F112-I141 HydrophobicContact CD1-CG1 3.81Å; F112-I141 HydrophobicContact CE1-CD1 4.43Å; F112-I141 HydrophobicContact CG-CD1 3.99Å; F112-I141 HydrophobicContact CG-CG1 4.42Å |
| 113 | V | 98.8 | Very high | 96.4 | Very high | 2 Ų | 2 | 44.3 Ų | 44.3 | 1% | 0.012 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 153.4 | 162.7 | -65.1 | 0 | 0 | 0 | 0 | 109.5 | V7 Q101 A105 C131 V138 K139 I140 I141 | V7-V113 CarbonylContact O-C 3.6Å; V7-V113 WeakPolarHBondContact O-CA 3.45Å; Q101-V113 HydrophobicContact CG-CB 4.46Å; Q101-V113 HydrophobicContact CG-CG1 4.15Å; A105-V113 HydrophobicContact CB-CG1 3.83Å; V113-C131 HydrophobicContact CG2-CB 4.32Å; V113-V138 HydrophobicContact CB-CG2 4.26Å; V113-V138 HydrophobicContact CG1-CG2 3.77Å; V113-V138 HydrophobicContact CG2-CG1 4.32Å; V113-V138 HydrophobicContact CG2-CG2 3.75Å; V113-K139 PolarHBondContact N-O 3Å; V113-I140 HydrophobicContact CG2-CD1 4.42Å; V113-I140 HydrophobicContact CG2-CG1 3.86Å; V113-I140 WeakPolarHBondContact O-CA 3.45Å; V113-I141 PolarHBondContact O-N 3.37Å |
| 114 | S | 98.8 | Very high | 96.3 | Very high | 1 Ų | 1 | 41.1 Ų | 41.1 | 1% | 0.007 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 155 | 178.9 | -170 | 0 | 0 | 0 | 0 | 111.6 | V7 A9 Q101 I141 | V7-S114 PolarHBondContact O-N 3.35Å; A9-S114 PolarHBondContact N-O 3.09Å; Q101-S114 PolarHBondContact NE2-O 2.96Å; S114-I141 VanDerWaalsContact CA-O 3.29Å; S114-I141 WeakPolarHBondContact CA-O 3.49Å; S114-I141 VanDerWaalsContact CB-O 3.27Å; S114-I141 WeakPolarHBondContact CB-O 3.3Å; S114-I141 PolarHBondContact OG-O 3.27Å |
| 115 | H | 98.5 | Very high | 96.3 | Very high | 5 Ų | 5 | 42.4 Ų | 42.4 | 2% | 0.023 | 23% | 0.23 | C | C | . | . | trans | -145 | 160.2 | 177.6 | 60.6 | 68.7 | 0 | 0 | 0 | 110.9 | A117 F127 E128 | H115-A117 PolarHBondContact ND1-N 3.14Å; H115-F127 HydrophobicContact CB-CD2 4.4Å; H115-F127 HydrophobicContact CB-CG 4.38Å; H115-E128 IonicContact CE1-OE1 3.45Å; H115-E128 IonicContact NE2-OE1 3.9Å; H115-E128 PolarHBondContact NE2-OE1 3.18Å; H115-E128 VanDerWaalsContact NE2-OE1 3.11Å | ||
| 116 | G | 95.9 | Very high | 96.3 | Very high | 17 Ų | 17 | 42.8 Ų | 42.8 | 18% | 0.175 | 23% | 0.231 | C | C | . | . | trans | -91.7 | 3.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | W144 | G116-W144 VanDerWaalsContact O-CD1 3.24Å; G116-W144 PolarHBondContact O-NE1 3.22Å | ||
| 117 | A | 94.8 | Very high | 96.3 | Very high | 22 Ų | 22 | 37.9 Ų | 37.9 | 18% | 0.182 | 21% | 0.213 | C | C | . | . | trans | -59.6 | 138.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | H115 D123 Q124 | H115-A117 PolarHBondContact ND1-N 3.14Å; A117-D123 HydrophobicContact CB-CB 3.97Å; A117-Q124 HydrophobicContact CB-CB 4.06Å | ||
| 118 | T | 90.1 | Very high | 96.3 | Very high | 66 Ų | 66 | 31.9 Ų | 31.9 | 41% | 0.405 | 19% | 0.188 | S | C | . | . | trans | -75.1 | 158.7 | -178.1 | 72.7 | 0 | 0 | 0 | 0 | 111.9 | K120 G121 Q124 | T118-K120 PolarHBondContact O-N 3Å; T118-K120 VanDerWaalsContact O-N 3.08Å; T118-G121 PolarHBondContact O-N 3.34Å; T118-G121 PolarHBondContact OG1-N 3.46Å; T118-Q124 PolarHBondContact O-NE2 2.83Å | ||
| 119 | G | 89.7 | Confident | 96.3 | Very high | 34 Ų | 34 | 31.7 Ų | 31.7 | 35% | 0.351 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -5.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | Q124 | G119-Q124 PolarHBondContact O-NE2 3.35Š|
| 120 | K | 88.8 | Confident | 96.4 | Very high | 143 Ų | 143 | 29.1 Ų | 29.1 | 62% | 0.622 | 16% | 0.161 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -113.3 | -2.7 | -179.2 | -63.2 | -176.5 | -178 | 179.1 | 0 | 113.7 | T118 R271 I273 M275 | T118-K120 PolarHBondContact O-N 3Å; T118-K120 VanDerWaalsContact O-N 3.08Å; K120-R271 PolarHBondContact O-NH1 3.29Å; K120-I273 VanDerWaalsContact O-CD1 3.26Å; K120-I273 WeakPolarHBondContact O-CD1 3.16Å; K120-M275 HydrophobicContact CB-CE 3.93Å; K120-M275 HydrophobicContact CG-CE 4.22Å |
| 121 | G | 91.5 | Very high | 96.4 | Very high | 10 Ų | 10 | 29.2 Ų | 29.2 | 10% | 0.103 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -93.2 | 163.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | T118 D123 Q124 | T118-G121 PolarHBondContact O-N 3.34Å; T118-G121 PolarHBondContact OG1-N 3.46Å; G121-D123 VanDerWaalsContact C-N 3.34Å; G121-Q124 WeakPolarHBondContact O-CG 3.37Å; G121-Q124 PolarHBondContact O-NE2 3.41Å |
| 122 | N | 97.1 | Very high | 96.5 | Very high | 9 Ų | 9 | 29.1 Ų | 29.1 | 5% | 0.048 | 16% | 0.158 | C | C | . | . | S | Bend | trans | -75.1 | -25.3 | 170.6 | -67.1 | -39.9 | 0 | 0 | 0 | 112.2 | Q124 I125 R126 R271 F272 Y321 | N122-Q124 VanDerWaalsContact C-N 3.29Å; N122-Q124 PolarHBondContact O-N 3.35Å; N122-I125 WeakPolarHBondContact O-CB 3.36Å; N122-I125 PolarHBondContact O-N 3.48Å; N122-R126 VanDerWaalsContact CB-CZ 3.48Å; N122-R126 PolarHBondContact O-N 2.82Å; N122-R271 WeakPolarHBondContact OD1-CB 3.44Å; N122-F272 PolarHBondContact OD1-N 3.38Å; N122-Y321 WeakPolarHBondContact ND2-CE1 3.21Å; N122-Y321 PolarHBondContact ND2-OH 2.66Å |
| 123 | D | 97.6 | Very high | 96.5 | Very high | 30 Ų | 30 | 30.4 Ų | 30.4 | 16% | 0.16 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -63.5 | -32 | -171.9 | -74.4 | -9.5 | 0 | 0 | 0 | 114 | T90 R94 A117 G121 I125 R126 F127 | T90-D123 WeakPolarHBondContact CG2-OD1 3.33Å; R94-D123 HydrophobicContact CG-CB 4.43Å; R94-D123 IonicContact CZ-OD2 3.15Å; R94-D123 VanDerWaalsContact CZ-OD2 3.26Å; R94-D123 IonicContact NE-OD1 2.61Å; R94-D123 PolarHBondContact NE-OD1 3.39Å; R94-D123 IonicContact NE-OD2 3.64Å; R94-D123 PolarHBondContact NE-OD2 3.45Å; R94-D123 IonicContact NH2-OD2 3.91Å; R94-D123 PolarHBondContact NH2-OD2 3.19Å; A117-D123 HydrophobicContact CB-CB 3.97Å; G121-D123 VanDerWaalsContact C-N 3.34Å; D123-I125 PolarHBondContact O-N 3.38Å; D123-R126 PolarHBondContact O-N 3.01Å; D123-R126 IonicContact OD1-CZ 2.88Å; D123-R126 IonicContact OD1-NH1 2.83Å; D123-R126 PolarHBondContact OD1-NH1 2.9Å; D123-F127 HydrophobicContact CB-CD2 4.48Å; D123-F127 VanDerWaalsContact O-CD2 3.3Å; D123-F127 WeakPolarHBondContact O-CD2 3.39Å; D123-F127 PolarHBondContact O-N 3.23Å |
| 124 | Q | 97.4 | Very high | 96.5 | Very high | 10 Ų | 10 | 32.5 Ų | 32.5 | 5% | 0.047 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -56 | -42 | 172.6 | 71.3 | -172.5 | -54.3 | 0 | 0 | 110.9 | A117 T118 G119 G121 N122 E128 R145 | A117-Q124 HydrophobicContact CB-CB 4.06Å; T118-Q124 PolarHBondContact O-NE2 2.83Å; G119-Q124 PolarHBondContact O-NE2 3.35Å; G121-Q124 WeakPolarHBondContact O-CG 3.37Å; G121-Q124 PolarHBondContact O-NE2 3.41Å; N122-Q124 VanDerWaalsContact C-N 3.29Å; N122-Q124 PolarHBondContact O-N 3.35Å; Q124-E128 VanDerWaalsContact O-CB 3.29Å; Q124-E128 WeakPolarHBondContact O-CB 3.26Å; Q124-E128 WeakPolarHBondContact O-CG 3.47Å; Q124-E128 PolarHBondContact O-N 2.89Å; Q124-E128 VanDerWaalsContact O-N 3.11Å; Q124-R145 VanDerWaalsContact OE1-CD 3.31Å |
| 125 | I | 98.4 | Very high | 96.5 | Very high | 28 Ų | 28 | 34.9 Ų | 34.9 | 14% | 0.144 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -69.6 | -44.9 | -179.9 | -63.2 | 151 | 0 | 0 | 0 | 109.5 | N122 D123 F127 E128 L129 F272 I273 N322 | N122-I125 WeakPolarHBondContact O-CB 3.36Å; N122-I125 PolarHBondContact O-N 3.48Å; D123-I125 PolarHBondContact O-N 3.38Å; I125-F127 PolarHBondContact O-N 2.97Å; I125-E128 PolarHBondContact O-N 3.38Å; I125-L129 HydrophobicContact CG2-CD1 3.45Å; I125-L129 VanDerWaalsContact CG2-CD1 3.45Å; I125-L129 HydrophobicContact CG2-CG 3.87Å; I125-L129 VanDerWaalsContact O-CB 3.32Å; I125-L129 WeakPolarHBondContact O-CB 3.44Å; I125-L129 VanDerWaalsContact O-CG 3.28Å; I125-L129 WeakPolarHBondContact O-CG 3.15Å; I125-L129 PolarHBondContact O-N 3.32Å; I125-F272 HydrophobicContact CD1-CB 4.37Å; I125-F272 HydrophobicContact CD1-CD1 3.7Å; I125-F272 HydrophobicContact CG2-CD1 4.07Å; I125-F272 HydrophobicContact CG2-CE1 4.25Å; I125-I273 HydrophobicContact CD1-CG2 3.41Å; I125-I273 VanDerWaalsContact CD1-CG2 3.41Å; I125-N322 VanDerWaalsContact CG2-O 3.32Å; I125-N322 WeakPolarHBondContact CG2-O 3.21Å |
| 126 | R | 98.8 | Very high | 96.5 | Very high | 9 Ų | 9 | 39 Ų | 39 | 3% | 0.034 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62.9 | -43.8 | -177.5 | -60.8 | 168.5 | -179.2 | 156.5 | -4.4 | 112.6 | R94 N122 D123 T130 Y321 | R94-R126 HydrophobicContact CB-CB 3.63Å; R94-R126 HydrophobicContact CG-CB 4.04Å; N122-R126 VanDerWaalsContact CB-CZ 3.48Å; N122-R126 PolarHBondContact O-N 2.82Å; D123-R126 PolarHBondContact O-N 3.01Å; D123-R126 IonicContact OD1-CZ 2.88Å; D123-R126 IonicContact OD1-NH1 2.83Å; D123-R126 PolarHBondContact OD1-NH1 2.9Å; R126-T130 WeakPolarHBondContact O-CB 3.48Å; R126-T130 PolarHBondContact O-N 3.01Å; R126-T130 PolarHBondContact O-OG1 3.46Å; R126-Y321 PolarHBondContact NE-O 3.17Å; R126-Y321 PolarHBondContact NH2-O 3.35Å |
| 127 | F | 98.6 | Very high | 96.5 | Very high | 17 Ų | 17 | 46 Ų | 46 | 8% | 0.075 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.6 | -52 | 173.8 | -89 | -73.5 | 0 | 0 | 0 | 110.8 | A9 R94 I97 A98 H115 D123 I125 T130 C131 | A9-F127 HydrophobicContact CB-CE1 4.31Å; R94-F127 HydrophobicContact CG-CE2 4.32Å; I97-F127 HydrophobicContact CB-CE1 4.15Å; I97-F127 HydrophobicContact CB-CZ 4.35Å; I97-F127 HydrophobicContact CG2-CE1 3.68Å; I97-F127 HydrophobicContact CG2-CZ 3.92Å; A98-F127 HydrophobicContact CB-CD1 3.75Å; A98-F127 HydrophobicContact CB-CE1 4.25Å; H115-F127 HydrophobicContact CB-CD2 4.4Å; H115-F127 HydrophobicContact CB-CG 4.38Å; D123-F127 HydrophobicContact CB-CD2 4.48Å; D123-F127 VanDerWaalsContact O-CD2 3.3Å; D123-F127 WeakPolarHBondContact O-CD2 3.39Å; D123-F127 PolarHBondContact O-N 3.23Å; I125-F127 PolarHBondContact O-N 2.97Å; F127-T130 PolarHBondContact O-N 2.82Å; F127-C131 WeakPolarHBondContact O-CB 3.42Å; F127-C131 PolarHBondContact O-N 2.98Å; F127-C131 PolarHBondContact O-SG 3.33Å |
| 128 | E | 98.7 | Very high | 96.6 | Very high | 21 Ų | 21 | 45.2 Ų | 45.2 | 10% | 0.098 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -72.4 | -42.6 | -169.2 | -67 | 178.1 | -127.5 | 0 | 0 | 113.3 | H115 Q124 I125 T130 C131 Y132 I140 R145 | H115-E128 IonicContact CE1-OE1 3.45Å; H115-E128 IonicContact NE2-OE1 3.9Å; H115-E128 PolarHBondContact NE2-OE1 3.18Å; H115-E128 VanDerWaalsContact NE2-OE1 3.11Å; Q124-E128 VanDerWaalsContact O-CB 3.29Å; Q124-E128 WeakPolarHBondContact O-CB 3.26Å; Q124-E128 WeakPolarHBondContact O-CG 3.47Å; Q124-E128 PolarHBondContact O-N 2.89Å; Q124-E128 VanDerWaalsContact O-N 3.11Å; I125-E128 PolarHBondContact O-N 3.38Å; E128-T130 VanDerWaalsContact C-N 3.27Å; E128-T130 PolarHBondContact O-N 2.9Å; E128-C131 PolarHBondContact O-N 3.4Å; E128-Y132 HydrophobicContact CB-CD2 4.4Å; E128-Y132 HydrophobicContact CB-CE2 4.24Å; E128-Y132 WeakPolarHBondContact O-CD2 3.4Å; E128-Y132 PolarHBondContact O-N 2.95Å; E128-I140 HydrophobicContact CB-CD1 3.74Å; E128-I140 HydrophobicContact CG-CD1 3.6Å; E128-I140 HydrophobicContact CG-CG2 3.99Å; E128-R145 IonicContact OE1-CZ 2.73Å; E128-R145 IonicContact OE1-NH1 2.61Å; E128-R145 PolarHBondContact OE1-NH1 3.29Å; E128-R145 IonicContact OE1-NH2 3.01Å; E128-R145 PolarHBondContact OE1-NH2 3.11Å; E128-R145 IonicContact OE2-CZ 2.98Å; E128-R145 IonicContact OE2-NH1 2.67Å; E128-R145 IonicContact OE2-NH2 3.54Å; E128-R145 PolarHBondContact OE2-NH2 3.23Å |
| 129 | L | 98.8 | Very high | 97 | Very high | 56 Ų | 56 | 48.1 Ų | 48.1 | 29% | 0.293 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -59.9 | -40.8 | 174.4 | -69 | -177.6 | 0 | 0 | 0 | 111 | I125 A133 F324 | I125-L129 HydrophobicContact CG2-CD1 3.45Å; I125-L129 VanDerWaalsContact CG2-CD1 3.45Å; I125-L129 HydrophobicContact CG2-CG 3.87Å; I125-L129 VanDerWaalsContact O-CB 3.32Å; I125-L129 WeakPolarHBondContact O-CB 3.44Å; I125-L129 VanDerWaalsContact O-CG 3.28Å; I125-L129 WeakPolarHBondContact O-CG 3.15Å; I125-L129 PolarHBondContact O-N 3.32Å; L129-A133 WeakPolarHBondContact O-CB 3.37Å; L129-A133 PolarHBondContact O-N 2.91Å; L129-F324 HydrophobicContact CD1-CD1 4.01Å; L129-F324 HydrophobicContact CD1-CD2 4.2Å; L129-F324 HydrophobicContact CD1-CE1 3.74Å; L129-F324 HydrophobicContact CD1-CE2 3.95Å; L129-F324 HydrophobicContact CD1-CG 4.23Å; L129-F324 HydrophobicContact CD1-CZ 3.71Å |
| 130 | T | 98.8 | Very high | 97.5 | Very high | 1 Ų | 1 | 48.1 Ų | 48.1 | 1% | 0.006 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -63 | -47.3 | 174.4 | -61.7 | 0 | 0 | 0 | 0 | 111.4 | A98 R126 F127 E128 Y132 A133 L134 Y326 | A98-T130 HydrophobicContact CB-CG2 3.43Å; A98-T130 VanDerWaalsContact CB-CG2 3.43Å; R126-T130 WeakPolarHBondContact O-CB 3.48Å; R126-T130 PolarHBondContact O-N 3.01Å; R126-T130 PolarHBondContact O-OG1 3.46Å; F127-T130 PolarHBondContact O-N 2.82Å; E128-T130 VanDerWaalsContact C-N 3.27Å; E128-T130 PolarHBondContact O-N 2.9Å; T130-Y132 PolarHBondContact O-N 3.41Å; T130-A133 PolarHBondContact O-N 3.46Å; T130-L134 HydrophobicContact CG2-CD1 3.72Å; T130-L134 HydrophobicContact CG2-CG 4.32Å; T130-L134 WeakPolarHBondContact O-CB 3.2Å; T130-L134 WeakPolarHBondContact O-CG 3.39Å; T130-L134 PolarHBondContact O-N 3.1Å; T130-Y326 HydrophobicContact CG2-CD2 3.45Å; T130-Y326 VanDerWaalsContact CG2-CD2 3.45Å; T130-Y326 HydrophobicContact CG2-CE2 3.44Å; T130-Y326 VanDerWaalsContact CG2-CE2 3.44Å |
| 131 | C | 98.7 | Very high | 97.9 | Very high | 2 Ų | 2 | 41.9 Ų | 41.9 | 1% | 0.014 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -60.5 | -45.8 | 179.6 | -73.3 | 0 | 0 | 0 | 0 | 112.1 | V102 V113 F127 E128 L134 Y135 V138 I140 | V102-C131 HydrophobicContact CG2-CB 4.21Å; V113-C131 HydrophobicContact CG2-CB 4.32Å; F127-C131 WeakPolarHBondContact O-CB 3.42Å; F127-C131 PolarHBondContact O-N 2.98Å; F127-C131 PolarHBondContact O-SG 3.33Å; E128-C131 PolarHBondContact O-N 3.4Å; C131-L134 PolarHBondContact O-N 3.26Å; C131-Y135 CarbonylContact O-C 3.59Å; C131-Y135 WeakPolarHBondContact O-CA 3.27Å; C131-Y135 PolarHBondContact O-N 2.97Å; C131-V138 HydrophobicContact CB-CG1 4.12Å; C131-I140 HydrophobicContact CB-CD1 3.89Å |
| 132 | Y | 98.8 | Very high | 98.2 | Very high | 103 Ų | 103 | 41.8 Ų | 41.8 | 40% | 0.404 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -69.2 | -38.2 | 177.7 | -70.1 | -55.1 | 0 | 0 | 0 | 112.8 | E128 T130 L134 P136 V138 I140 | E128-Y132 HydrophobicContact CB-CD2 4.4Å; E128-Y132 HydrophobicContact CB-CE2 4.24Å; E128-Y132 WeakPolarHBondContact O-CD2 3.4Å; E128-Y132 PolarHBondContact O-N 2.95Å; T130-Y132 PolarHBondContact O-N 3.41Å; Y132-L134 VanDerWaalsContact C-N 3.34Å; Y132-P136 VanDerWaalsContact O-CA 3.3Å; Y132-P136 WeakPolarHBondContact O-CA 3.41Å; Y132-P136 WeakPolarHBondContact O-CG 3.49Å; Y132-V138 HydrophobicContact CD1-CG1 4.42Å; Y132-I140 HydrophobicContact CD2-CD1 4.04Å; Y132-I140 HydrophobicContact CE1-CD1 4.03Å; Y132-I140 HydrophobicContact CE1-CG1 4.14Å; Y132-I140 HydrophobicContact CE2-CD1 3.51Å; Y132-I140 HydrophobicContact CE2-CG1 4.31Å; Y132-I140 HydrophobicContact CG-CD1 4.5Å |
| 133 | A | 98.7 | Very high | 98.3 | Very high | 53 Ų | 53 | 41.3 Ų | 41.3 | 44% | 0.438 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -63.5 | -41.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | L129 T130 | L129-A133 WeakPolarHBondContact O-CB 3.37Å; L129-A133 PolarHBondContact O-N 2.91Å; T130-A133 PolarHBondContact O-N 3.46Å |
| 134 | L | 98.5 | Very high | 98.2 | Very high | 46 Ų | 46 | 41.7 Ų | 41.7 | 24% | 0.241 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -88 | -31.8 | -175.3 | -65 | -179.3 | 0 | 0 | 0 | 113.4 | R99 V102 R106 T130 C131 Y132 Y326 | R99-L134 HydrophobicContact CB-CD1 3.91Å; R99-L134 HydrophobicContact CG-CD1 4.07Å; V102-L134 HydrophobicContact CG1-CB 4.04Å; V102-L134 HydrophobicContact CG2-CB 4.42Å; R106-L134 PolarHBondContact NH1-O 3.45Å; R106-L134 PolarHBondContact NH2-O 3.11Å; T130-L134 HydrophobicContact CG2-CD1 3.72Å; T130-L134 HydrophobicContact CG2-CG 4.32Å; T130-L134 WeakPolarHBondContact O-CB 3.2Å; T130-L134 WeakPolarHBondContact O-CG 3.39Å; T130-L134 PolarHBondContact O-N 3.1Å; C131-L134 PolarHBondContact O-N 3.26Å; Y132-L134 VanDerWaalsContact C-N 3.34Å; L134-Y326 HydrophobicContact CD1-CD1 4.49Å; L134-Y326 HydrophobicContact CD1-CD2 4.12Å; L134-Y326 HydrophobicContact CD1-CE1 4.3Å; L134-Y326 HydrophobicContact CD1-CE2 3.89Å; L134-Y326 HydrophobicContact CD1-CG 4.41Å; L134-Y326 HydrophobicContact CD2-CD1 3.78Å; L134-Y326 HydrophobicContact CD2-CE1 4.08Å; L134-Y326 HydrophobicContact CD2-CG 4.04Å; L134-Y326 HydrophobicContact CG-CD1 4.36Å; L134-Y326 HydrophobicContact CG-CD2 4.28Å; L134-Y326 HydrophobicContact CG-CG 4.19Å |
| 135 | Y | 98.3 | Very high | 98.1 | Very high | 51 Ų | 51 | 46.2 Ų | 46.2 | 20% | 0.2 | 23% | 0.225 | C | C | . | . | trans | -140.9 | 78.9 | 179.9 | -172.8 | -167.6 | 0 | 0 | 0 | 111.2 | V102 R106 C131 E137 V138 | V102-Y135 HydrophobicContact CG1-CD1 4.3Å; V102-Y135 HydrophobicContact CG1-CG 4.34Å; R106-Y135 HydrophobicContact CG-CD1 3.94Å; R106-Y135 HydrophobicContact CG-CE1 3.92Å; R106-Y135 HydrophobicContact CG-CG 4.35Å; C131-Y135 CarbonylContact O-C 3.59Å; C131-Y135 WeakPolarHBondContact O-CA 3.27Å; C131-Y135 PolarHBondContact O-N 2.97Å; Y135-E137 VanDerWaalsContact C-N 3.25Å; Y135-E137 HydrophobicContact CD2-CB 4.48Å; Y135-E137 HydrophobicContact CE2-CB 4.13Å; Y135-E137 PolarHBondContact O-N 3.33Å; Y135-E137 VanDerWaalsContact O-N 3.07Å; Y135-V138 HydrophobicContact CD1-CB 3.68Å; Y135-V138 HydrophobicContact CD1-CG2 3.87Å; Y135-V138 HydrophobicContact CE1-CB 4.14Å; Y135-V138 HydrophobicContact CE1-CG2 4.12Å; Y135-V138 HydrophobicContact CG-CB 3.91Å; Y135-V138 VanDerWaalsContact O-CB 3.26Å; Y135-V138 WeakPolarHBondContact O-CB 3.16Å; Y135-V138 WeakPolarHBondContact O-CG1 3.3Å; Y135-V138 PolarHBondContact O-N 3.26Å | ||
| 136 | P | 97.6 | Very high | 98.1 | Very high | 92 Ų | 92 | 47 Ų | 47 | 60% | 0.597 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | -31.9 | -170 | -28.8 | 34.7 | 0 | 0 | 0 | 116.1 | Y132 V138 | Y132-P136 VanDerWaalsContact O-CA 3.3Å; Y132-P136 WeakPolarHBondContact O-CA 3.41Å; Y132-P136 WeakPolarHBondContact O-CG 3.49Å; P136-V138 VanDerWaalsContact C-N 3.29Å; P136-V138 PolarHBondContact O-N 2.81Å |
| 137 | E | 97.3 | Very high | 98 | Very high | 163 Ų | 163 | 49.6 Ų | 49.6 | 76% | 0.762 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.1 | -4.9 | -179.1 | -64.8 | -73.9 | -174.9 | 0 | 0 | 113.6 | Y135 | Y135-E137 VanDerWaalsContact C-N 3.25Å; Y135-E137 HydrophobicContact CD2-CB 4.48Å; Y135-E137 HydrophobicContact CE2-CB 4.13Å; Y135-E137 PolarHBondContact O-N 3.33Å; Y135-E137 VanDerWaalsContact O-N 3.07Å |
| 138 | V | 97.4 | Very high | 97.9 | Very high | 5 Ų | 5 | 54.9 Ų | 54.9 | 3% | 0.03 | 27% | 0.272 | C | S | . | . | P | Polyproline II helix | trans | -66.5 | 137 | -178.3 | 78.7 | 0 | 0 | 0 | 0 | 110.8 | V113 C131 Y132 Y135 P136 I140 | V113-V138 HydrophobicContact CB-CG2 4.26Å; V113-V138 HydrophobicContact CG1-CG2 3.77Å; V113-V138 HydrophobicContact CG2-CG1 4.32Å; V113-V138 HydrophobicContact CG2-CG2 3.75Å; C131-V138 HydrophobicContact CB-CG1 4.12Å; Y132-V138 HydrophobicContact CD1-CG1 4.42Å; Y135-V138 HydrophobicContact CD1-CB 3.68Å; Y135-V138 HydrophobicContact CD1-CG2 3.87Å; Y135-V138 HydrophobicContact CE1-CB 4.14Å; Y135-V138 HydrophobicContact CE1-CG2 4.12Å; Y135-V138 HydrophobicContact CG-CB 3.91Å; Y135-V138 VanDerWaalsContact O-CB 3.26Å; Y135-V138 WeakPolarHBondContact O-CB 3.16Å; Y135-V138 WeakPolarHBondContact O-CG1 3.3Å; Y135-V138 PolarHBondContact O-N 3.26Å; P136-V138 VanDerWaalsContact C-N 3.29Å; P136-V138 PolarHBondContact O-N 2.81Å; V138-I140 HydrophobicContact CG1-CG1 4.27Å |
| 139 | K | 98.3 | Very high | 97.8 | Very high | 128 Ų | 128 | 53.9 Ų | 53.9 | 56% | 0.557 | 27% | 0.268 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 129.7 | 172.4 | -66.1 | 177.6 | -175.5 | 178.1 | 0 | 109.5 | Q111 F112 V113 | Q111-K139 PolarHBondContact O-N 3.46Å; F112-K139 CarbonylContact C-O 3.41Å; F112-K139 WeakPolarHBondContact CA-O 3.42Å; F112-K139 HydrophobicContact CD1-CB 3.34Å; F112-K139 HydrophobicContact CD1-CD 4.26Å; F112-K139 HydrophobicContact CD1-CG 4.42Å; F112-K139 HydrophobicContact CE1-CB 3.51Å; F112-K139 HydrophobicContact CE1-CD 3.57Å; F112-K139 HydrophobicContact CE1-CG 4.18Å; F112-K139 HydrophobicContact CG-CB 4.22Å; F112-K139 HydrophobicContact CZ-CB 4.49Å; F112-K139 HydrophobicContact CZ-CD 3.91Å; V113-K139 PolarHBondContact N-O 3Å |
| 140 | I | 98.6 | Very high | 97.6 | Very high | 33 Ų | 33 | 56.1 Ų | 56.1 | 17% | 0.169 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 128.6 | -178.8 | -54.2 | -170.7 | 0 | 0 | 0 | 109.8 | V113 E128 C131 Y132 V138 | V113-I140 HydrophobicContact CG2-CD1 4.42Å; V113-I140 HydrophobicContact CG2-CG1 3.86Å; V113-I140 WeakPolarHBondContact O-CA 3.45Å; E128-I140 HydrophobicContact CB-CD1 3.74Å; E128-I140 HydrophobicContact CG-CD1 3.6Å; E128-I140 HydrophobicContact CG-CG2 3.99Å; C131-I140 HydrophobicContact CB-CD1 3.89Å; Y132-I140 HydrophobicContact CD2-CD1 4.04Å; Y132-I140 HydrophobicContact CE1-CD1 4.03Å; Y132-I140 HydrophobicContact CE1-CG1 4.14Å; Y132-I140 HydrophobicContact CE2-CD1 3.51Å; Y132-I140 HydrophobicContact CE2-CG1 4.31Å; Y132-I140 HydrophobicContact CG-CD1 4.5Å; V138-I140 HydrophobicContact CG1-CG1 4.27Å |
| 141 | I | 98.6 | Very high | 97.3 | Very high | 12 Ų | 12 | 59.7 Ų | 59.7 | 6% | 0.062 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 107.7 | 169.5 | -53.6 | 173.3 | 0 | 0 | 0 | 107.4 | V6 W22 L23 Y28 F112 V113 S114 P143 I146 | V6-I141 HydrophobicContact CG2-CD1 4.2Å; W22-I141 HydrophobicContact CZ3-CG2 4.49Å; L23-I141 HydrophobicContact CD2-CB 4.41Å; L23-I141 HydrophobicContact CD2-CD1 4.08Å; L23-I141 HydrophobicContact CD2-CG2 3.74Å; Y28-I141 HydrophobicContact CD1-CD1 4.28Å; Y28-I141 HydrophobicContact CD2-CD1 4.29Å; Y28-I141 HydrophobicContact CE1-CD1 3.81Å; Y28-I141 HydrophobicContact CE2-CD1 3.83Å; F112-I141 HydrophobicContact CB-CD1 4.03Å; F112-I141 HydrophobicContact CB-CG1 4.39Å; F112-I141 HydrophobicContact CD1-CD1 3.73Å; F112-I141 HydrophobicContact CD1-CG1 3.81Å; F112-I141 HydrophobicContact CE1-CD1 4.43Å; F112-I141 HydrophobicContact CG-CD1 3.99Å; F112-I141 HydrophobicContact CG-CG1 4.42Å; V113-I141 PolarHBondContact O-N 3.37Å; S114-I141 VanDerWaalsContact CA-O 3.29Å; S114-I141 WeakPolarHBondContact CA-O 3.49Å; S114-I141 VanDerWaalsContact CB-O 3.27Å; S114-I141 WeakPolarHBondContact CB-O 3.3Å; S114-I141 PolarHBondContact OG-O 3.27Å; I141-P143 WeakPolarHBondContact O-CD 3.33Å; I141-I146 HydrophobicContact CG2-CD1 3.77Å |
| 142 | A | 98.2 | Very high | 97.1 | Very high | 8 Ų | 8 | 64.7 Ų | 64.7 | 7% | 0.066 | 31% | 0.313 | C | S | . | . | trans | -112.5 | 88.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | W144 R145 | A142-W144 VanDerWaalsContact C-N 3.25Å; A142-W144 PolarHBondContact O-N 2.93Å; A142-W144 VanDerWaalsContact O-N 3.12Å; A142-R145 PolarHBondContact O-N 3.45Å | ||
| 143 | P | 97.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 30% | 0.295 | C | S | . | . | G | 310 helix | trans | -54.6 | -38.4 | -169.7 | -27.4 | 35.7 | 0 | 0 | 0 | 113.8 | I19 W22 I141 R145 I146 F149 | I19-P143 HydrophobicContact CB-CG 4.46Å; I19-P143 HydrophobicContact CD1-CB 4.35Å; I19-P143 HydrophobicContact CD1-CG 4.1Å; I19-P143 HydrophobicContact CG1-CB 4.14Å; I19-P143 HydrophobicContact CG1-CG 3.95Å; I19-P143 HydrophobicContact CG2-CG 3.76Å; W22-P143 HydrophobicContact CE3-CG 4.49Å; W22-P143 HydrophobicContact CZ3-CB 4.42Å; W22-P143 HydrophobicContact CZ3-CG 4.32Å; I141-P143 WeakPolarHBondContact O-CD 3.33Å; P143-R145 PolarHBondContact O-N 3.38Å; P143-I146 PolarHBondContact O-N 2.95Å; P143-F149 HydrophobicContact CB-CB 4.25Å; P143-F149 HydrophobicContact CB-CD1 3.68Å; P143-F149 HydrophobicContact CB-CD2 3.65Å; P143-F149 HydrophobicContact CB-CE1 3.87Å; P143-F149 HydrophobicContact CB-CE2 3.83Å; P143-F149 HydrophobicContact CB-CG 3.58Å; P143-F149 HydrophobicContact CB-CZ 3.95Å; P143-F149 VanDerWaalsContact O-CB 3.3Å; P143-F149 WeakPolarHBondContact O-CB 3.48Å; P143-F149 WeakPolarHBondContact O-CD1 3.41Å |
| 144 | W | 96.4 | Very high | 96.3 | Very high | 38 Ų | 38 | 67.8 Ų | 67.8 | 14% | 0.144 | 31% | 0.313 | C | S | . | . | G | 310 helix | trans | -65.3 | -3.2 | 177.9 | -72.6 | 123.4 | 0 | 0 | 0 | 115.9 | D15 G116 A142 F149 F153 L159 | D15-W144 WeakPolarHBondContact OD2-CZ2 3.46Å; D15-W144 PolarHBondContact OD2-NE1 3.25Å; G116-W144 VanDerWaalsContact O-CD1 3.24Å; G116-W144 PolarHBondContact O-NE1 3.22Å; A142-W144 VanDerWaalsContact C-N 3.25Å; A142-W144 PolarHBondContact O-N 2.93Å; A142-W144 VanDerWaalsContact O-N 3.12Å; W144-F149 HydrophobicContact CD2-CD1 4.26Å; W144-F149 AromaticContact CD2-CE1 3.81Å; W144-F149 HydrophobicContact CD2-CE1 3.81Å; W144-F149 AromaticContact CE2-CE1 3.85Å; W144-F149 HydrophobicContact CE3-CD1 4.02Å; W144-F149 AromaticContact CE3-CE1 3.84Å; W144-F149 HydrophobicContact CE3-CE1 3.84Å; W144-F149 HydrophobicContact CG-CE1 4.49Å; W144-F149 AromaticContact CH2-CE1 3.95Å; W144-F149 HydrophobicContact CH2-CE1 3.95Å; W144-F149 AromaticContact CZ2-CE1 3.93Å; W144-F149 HydrophobicContact CZ2-CE1 3.93Å; W144-F149 HydrophobicContact CZ3-CD1 4.26Å; W144-F149 AromaticContact CZ3-CE1 3.91Å; W144-F149 HydrophobicContact CZ3-CE1 3.91Å; W144-F153 HydrophobicContact CH2-CB 4.03Å; W144-F153 HydrophobicContact CZ3-CB 4.14Å; W144-F153 WeakPolarHBondContact CZ3-O 3.33Å; W144-L159 HydrophobicContact CH2-CD1 3.89Å; W144-L159 HydrophobicContact CH2-CD2 4.31Å; W144-L159 HydrophobicContact CH2-CG 4.32Å; W144-L159 HydrophobicContact CZ2-CD1 3.81Å; W144-L159 HydrophobicContact CZ2-CD2 4.42Å |
| 145 | R | 95.8 | Very high | 95.5 | Very high | 105 Ų | 105 | 67 Ų | 67 | 40% | 0.396 | 32% | 0.317 | S | S | . | . | G | 310 helix | trans | -118.1 | 6 | 171 | -63.9 | -163.9 | -57 | -121.5 | -2.8 | 113.7 | Q124 E128 A142 P143 | Q124-R145 VanDerWaalsContact OE1-CD 3.31Å; E128-R145 IonicContact OE1-CZ 2.73Å; E128-R145 IonicContact OE1-NH1 2.61Å; E128-R145 PolarHBondContact OE1-NH1 3.29Å; E128-R145 IonicContact OE1-NH2 3.01Å; E128-R145 PolarHBondContact OE1-NH2 3.11Å; E128-R145 IonicContact OE2-CZ 2.98Å; E128-R145 IonicContact OE2-NH1 2.67Å; E128-R145 IonicContact OE2-NH2 3.54Å; E128-R145 PolarHBondContact OE2-NH2 3.23Å; A142-R145 PolarHBondContact O-N 3.45Å; P143-R145 PolarHBondContact O-N 3.38Å |
| 146 | I | 97.1 | Very high | 94.8 | Very high | 43 Ų | 43 | 70 Ų | 70 | 22% | 0.221 | 33% | 0.328 | C | S | . | . | trans | -95.6 | 118.7 | 177.2 | -64.5 | 175.8 | 0 | 0 | 0 | 108.1 | W22 I141 P143 E148 F149 Y150 | W22-I146 HydrophobicContact CH2-CD1 4.16Å; W22-I146 HydrophobicContact CH2-CG2 4.4Å; I141-I146 HydrophobicContact CG2-CD1 3.77Å; P143-I146 PolarHBondContact O-N 2.95Å; I146-E148 HydrophobicContact CG2-CB 4.28Å; I146-E148 WeakPolarHBondContact CG2-OE2 3.34Å; I146-E148 PolarHBondContact O-N 3.48Å; I146-F149 HydrophobicContact CB-CB 4.35Å; I146-F149 PolarHBondContact O-N 2.98Å; I146-Y150 VanDerWaalsContact C-CD1 3.43Å; I146-Y150 WeakPolarHBondContact O-CD1 3.33Å; I146-Y150 PolarHBondContact O-N 2.84Å | ||
| 147 | P | 96.8 | Very high | 94.3 | Very high | 65 Ų | 65 | 70.3 Ų | 70.3 | 42% | 0.422 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -48.6 | -43.9 | -177.4 | -30.6 | 36.9 | 0 | 0 | 0 | 114 | F149 Y150 T151 | P147-F149 PolarHBondContact O-N 3.35Å; P147-Y150 HydrophobicContact CB-CE1 4.15Å; P147-Y150 HydrophobicContact CG-CE1 4.05Å; P147-T151 VanDerWaalsContact O-CB 3.26Å; P147-T151 WeakPolarHBondContact O-CB 3.38Å; P147-T151 WeakPolarHBondContact O-CG2 3.49Å; P147-T151 PolarHBondContact O-N 2.75Å; P147-T151 PolarHBondContact O-OG1 2.9Å |
| 148 | E | 96.4 | Very high | 94 | Very high | 128 Ų | 128 | 64.8 Ų | 64.8 | 60% | 0.598 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -61.4 | -28.7 | -179.6 | -61.1 | 82 | 178.1 | 0 | 0 | 112.9 | I146 R152 | I146-E148 HydrophobicContact CG2-CB 4.28Å; I146-E148 WeakPolarHBondContact CG2-OE2 3.34Å; I146-E148 PolarHBondContact O-N 3.48Å; E148-R152 WeakPolarHBondContact O-CB 3.03Å |
| 149 | F | 96.5 | Very high | 93.8 | Very high | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -89.5 | -55.8 | 179.7 | -173.6 | -84.1 | 0 | 0 | 0 | 111.5 | I19 W22 P143 W144 I146 P147 T151 R152 F153 | I19-F149 HydrophobicContact CD1-CZ 4.47Å; I19-F149 HydrophobicContact CG1-CE1 4.49Å; I19-F149 HydrophobicContact CG1-CE2 4.03Å; I19-F149 HydrophobicContact CG1-CZ 3.65Å; W22-F149 HydrophobicContact CB-CD2 4.45Å; W22-F149 HydrophobicContact CB-CE2 4.07Å; W22-F149 AromaticContact CD1-CD2 3.94Å; W22-F149 AromaticContact CD2-CD2 3.53Å; W22-F149 HydrophobicContact CD2-CD2 3.53Å; W22-F149 AromaticContact CD2-CE2 4Å; W22-F149 HydrophobicContact CD2-CE2 4Å; W22-F149 AromaticContact CE2-CD2 3.66Å; W22-F149 AromaticContact CE3-CD2 3.97Å; W22-F149 HydrophobicContact CE3-CD2 3.97Å; W22-F149 HydrophobicContact CE3-CE2 4.36Å; W22-F149 AromaticContact CG-CD2 3.73Å; W22-F149 HydrophobicContact CG-CD2 3.73Å; W22-F149 AromaticContact CG-CE2 3.84Å; W22-F149 HydrophobicContact CG-CE2 3.84Å; W22-F149 HydrophobicContact CZ2-CB 4.16Å; W22-F149 HydrophobicContact CZ2-CD2 4.2Å; W22-F149 HydrophobicContact CZ3-CD2 4.46Å; W22-F149 AromaticContact NE1-CD2 3.88Å; P143-F149 HydrophobicContact CB-CB 4.25Å; P143-F149 HydrophobicContact CB-CD1 3.68Å; P143-F149 HydrophobicContact CB-CD2 3.65Å; P143-F149 HydrophobicContact CB-CE1 3.87Å; P143-F149 HydrophobicContact CB-CE2 3.83Å; P143-F149 HydrophobicContact CB-CG 3.58Å; P143-F149 HydrophobicContact CB-CZ 3.95Å; P143-F149 VanDerWaalsContact O-CB 3.3Å; P143-F149 WeakPolarHBondContact O-CB 3.48Å; P143-F149 WeakPolarHBondContact O-CD1 3.41Å; W144-F149 HydrophobicContact CD2-CD1 4.26Å; W144-F149 AromaticContact CD2-CE1 3.81Å; W144-F149 HydrophobicContact CD2-CE1 3.81Å; W144-F149 AromaticContact CE2-CE1 3.85Å; W144-F149 HydrophobicContact CE3-CD1 4.02Å; W144-F149 AromaticContact CE3-CE1 3.84Å; W144-F149 HydrophobicContact CE3-CE1 3.84Å; W144-F149 HydrophobicContact CG-CE1 4.49Å; W144-F149 AromaticContact CH2-CE1 3.95Å; W144-F149 HydrophobicContact CH2-CE1 3.95Å; W144-F149 AromaticContact CZ2-CE1 3.93Å; W144-F149 HydrophobicContact CZ2-CE1 3.93Å; W144-F149 HydrophobicContact CZ3-CD1 4.26Å; W144-F149 AromaticContact CZ3-CE1 3.91Å; W144-F149 HydrophobicContact CZ3-CE1 3.91Å; I146-F149 HydrophobicContact CB-CB 4.35Å; I146-F149 PolarHBondContact O-N 2.98Å; P147-F149 PolarHBondContact O-N 3.35Å; F149-T151 VanDerWaalsContact C-N 3.32Å; F149-T151 PolarHBondContact O-N 2.69Å; F149-R152 WeakPolarHBondContact O-CB 3.17Å; F149-R152 PolarHBondContact O-N 2.92Å; F149-F153 AromaticContact CD1-CD2 3.78Å; F149-F153 HydrophobicContact CD1-CD2 3.78Å; F149-F153 HydrophobicContact CD1-CE2 4.45Å; F149-F153 AromaticContact CD2-CD2 3.74Å; F149-F153 HydrophobicContact CD2-CD2 3.74Å; F149-F153 AromaticContact CD2-CE2 3.57Å; F149-F153 HydrophobicContact CD2-CE2 3.57Å; F149-F153 AromaticContact CE1-CD2 3.64Å; F149-F153 HydrophobicContact CE1-CD2 3.64Å; F149-F153 HydrophobicContact CE1-CE2 4.32Å; F149-F153 AromaticContact CE2-CD2 3.63Å; F149-F153 HydrophobicContact CE2-CD2 3.63Å; F149-F153 AromaticContact CE2-CE2 3.43Å; F149-F153 HydrophobicContact CE2-CE2 3.43Å; F149-F153 VanDerWaalsContact CE2-CE2 3.43Å; F149-F153 AromaticContact CG-CD2 3.82Å; F149-F153 HydrophobicContact CG-CD2 3.82Å; F149-F153 HydrophobicContact CG-CE2 4.1Å; F149-F153 AromaticContact CZ-CD2 3.57Å; F149-F153 HydrophobicContact CZ-CD2 3.57Å; F149-F153 AromaticContact CZ-CE2 3.83Å; F149-F153 HydrophobicContact CZ-CE2 3.83Å; F149-F153 VanDerWaalsContact O-CD2 3.23Å; F149-F153 WeakPolarHBondContact O-CD2 3.35Å; F149-F153 PolarHBondContact O-N 3.26Å |
| 150 | Y | 94.5 | Very high | 93.4 | Very high | 103 Ų | 103 | 62.2 Ų | 62.2 | 40% | 0.404 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -72.6 | -22.5 | -173.6 | 74.2 | -108.5 | 0 | 0 | 0 | 113.5 | I146 P147 F153 | I146-Y150 VanDerWaalsContact C-CD1 3.43Å; I146-Y150 WeakPolarHBondContact O-CD1 3.33Å; I146-Y150 PolarHBondContact O-N 2.84Å; P147-Y150 HydrophobicContact CB-CE1 4.15Å; P147-Y150 HydrophobicContact CG-CE1 4.05Å; Y150-F153 CarbonylContact O-C 3.55Å; Y150-F153 VanDerWaalsContact O-O 3.13Å |
| 151 | T | 93.8 | Very high | 93.2 | Very high | 76 Ų | 76 | 66.2 Ų | 66.2 | 47% | 0.466 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | -29.5 | 173.5 | 60.6 | 0 | 0 | 0 | 0 | 112.3 | P147 F149 | P147-T151 VanDerWaalsContact O-CB 3.26Å; P147-T151 WeakPolarHBondContact O-CB 3.38Å; P147-T151 WeakPolarHBondContact O-CG2 3.49Å; P147-T151 PolarHBondContact O-N 2.75Å; P147-T151 PolarHBondContact O-OG1 2.9Å; F149-T151 VanDerWaalsContact C-N 3.32Å; F149-T151 PolarHBondContact O-N 2.69Å |
| 152 | R | 94 | Very high | 93.1 | Very high | 106 Ų | 106 | 66 Ų | 66 | 40% | 0.4 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | -39.3 | 174 | -178.5 | -179.4 | -179.6 | -177.4 | 1 | 111.7 | E25 E148 F149 Y162 | E25-R152 IonicContact OE2-NH1 3.19Å; E148-R152 WeakPolarHBondContact O-CB 3.03Å; F149-R152 WeakPolarHBondContact O-CB 3.17Å; F149-R152 PolarHBondContact O-N 2.92Å; R152-Y162 VanDerWaalsContact NH2-CE2 3.32Å |
| 153 | F | 93.3 | Very high | 92.9 | Very high | 4 Ų | 4 | 65.6 Ų | 65.6 | 2% | 0.018 | 31% | 0.307 | C | S | . | . | trans | -111.7 | 82.7 | 179.6 | -51.1 | -60 | 0 | 0 | 0 | 109.6 | W144 F149 Y150 G155 D158 L159 Y162 | W144-F153 HydrophobicContact CH2-CB 4.03Å; W144-F153 HydrophobicContact CZ3-CB 4.14Å; W144-F153 WeakPolarHBondContact CZ3-O 3.33Å; F149-F153 AromaticContact CD1-CD2 3.78Å; F149-F153 HydrophobicContact CD1-CD2 3.78Å; F149-F153 HydrophobicContact CD1-CE2 4.45Å; F149-F153 AromaticContact CD2-CD2 3.74Å; F149-F153 HydrophobicContact CD2-CD2 3.74Å; F149-F153 AromaticContact CD2-CE2 3.57Å; F149-F153 HydrophobicContact CD2-CE2 3.57Å; F149-F153 AromaticContact CE1-CD2 3.64Å; F149-F153 HydrophobicContact CE1-CD2 3.64Å; F149-F153 HydrophobicContact CE1-CE2 4.32Å; F149-F153 AromaticContact CE2-CD2 3.63Å; F149-F153 HydrophobicContact CE2-CD2 3.63Å; F149-F153 AromaticContact CE2-CE2 3.43Å; F149-F153 HydrophobicContact CE2-CE2 3.43Å; F149-F153 VanDerWaalsContact CE2-CE2 3.43Å; F149-F153 AromaticContact CG-CD2 3.82Å; F149-F153 HydrophobicContact CG-CD2 3.82Å; F149-F153 HydrophobicContact CG-CE2 4.1Å; F149-F153 AromaticContact CZ-CD2 3.57Å; F149-F153 HydrophobicContact CZ-CD2 3.57Å; F149-F153 AromaticContact CZ-CE2 3.83Å; F149-F153 HydrophobicContact CZ-CE2 3.83Å; F149-F153 VanDerWaalsContact O-CD2 3.23Å; F149-F153 WeakPolarHBondContact O-CD2 3.35Å; F149-F153 PolarHBondContact O-N 3.26Å; Y150-F153 CarbonylContact O-C 3.55Å; Y150-F153 VanDerWaalsContact O-O 3.13Å; F153-G155 PolarHBondContact O-N 3.33Å; F153-D158 HydrophobicContact CD1-CB 4.1Å; F153-L159 HydrophobicContact CB-CD2 3.96Å; F153-L159 HydrophobicContact CB-CG 4.26Å; F153-L159 HydrophobicContact CD1-CD2 3.91Å; F153-L159 HydrophobicContact CD1-CG 4.49Å; F153-L159 HydrophobicContact CD2-CD2 4.21Å; F153-L159 HydrophobicContact CE1-CD2 4.49Å; F153-L159 HydrophobicContact CG-CD2 3.75Å; F153-L159 HydrophobicContact CG-CG 4.45Å; F153-Y162 HydrophobicContact CE1-CD1 4.4Å; F153-Y162 AromaticContact CE1-CD2 3.77Å; F153-Y162 HydrophobicContact CE1-CD2 3.77Å; F153-Y162 AromaticContact CE1-CG 3.67Å; F153-Y162 HydrophobicContact CE1-CG 3.67Å; F153-Y162 HydrophobicContact CZ-CD1 4.27Å; F153-Y162 AromaticContact CZ-CD2 3.66Å; F153-Y162 HydrophobicContact CZ-CD2 3.66Å; F153-Y162 HydrophobicContact CZ-CE2 4.01Å; F153-Y162 AromaticContact CZ-CG 3.8Å; F153-Y162 HydrophobicContact CZ-CG 3.8Å | ||
| 154 | R | 87.2 | Confident | 92.7 | Very high | 217 Ų | 217 | 73.4 Ų | 73.4 | 82% | 0.819 | 34% | 0.344 | S | S | * | . | trans | -75.8 | -19.7 | -178.8 | -62.3 | -176.5 | 179.5 | -172.4 | -1.4 | 112.3 | D158 | R154-D158 WeakPolarHBondContact CA-OD2 3.44Å; R154-D158 WeakPolarHBondContact CB-OD2 3.29Å; R154-D158 PolarHBondContact N-OD2 3.01Å | ||
| 155 | G | 82.6 | Confident | 92.7 | Very high | 31 Ų | 31 | 79.5 Ų | 79.5 | 32% | 0.32 | 37% | 0.371 | S | S | . | . | S | Bend | trans | -166.5 | -167.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | F153 T157 D158 L159 | F153-G155 PolarHBondContact O-N 3.33Å; G155-T157 VanDerWaalsContact C-N 3.33Å; G155-T157 PolarHBondContact O-N 3.23Å; G155-D158 PolarHBondContact N-OD2 3.05Å; G155-D158 PolarHBondContact O-N 3.38Å; G155-L159 PolarHBondContact O-N 3.34Å |
| 156 | R | 82.6 | Confident | 92.7 | Very high | 114 Ų | 114 | 77.2 Ų | 77.2 | 43% | 0.43 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -64.3 | -35.9 | -175.3 | -169.7 | -179.5 | 178.4 | 113.4 | -2.3 | 113.2 | L14 D158 L159 M160 | L14-R156 HydrophobicContact CD2-CG 3.94Å; R156-D158 VanDerWaalsContact C-N 3.35Å; R156-D158 PolarHBondContact O-N 3.12Å; R156-L159 WeakPolarHBondContact O-CB 3.46Å; R156-L159 PolarHBondContact O-N 2.97Å; R156-M160 HydrophobicContact CG-CG 4.44Å; R156-M160 VanDerWaalsContact O-CG 3.32Å; R156-M160 WeakPolarHBondContact O-CG 3.41Å; R156-M160 PolarHBondContact O-N 2.93Å |
| 157 | T | 87 | Confident | 92.5 | Very high | 97 Ų | 97 | 78 Ų | 78 | 60% | 0.595 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -58.5 | -47.2 | 179.6 | -51.5 | 0 | 0 | 0 | 0 | 111.2 | G155 L159 M160 E161 | G155-T157 VanDerWaalsContact C-N 3.33Å; G155-T157 PolarHBondContact O-N 3.23Å; T157-L159 VanDerWaalsContact C-N 3.29Å; T157-L159 PolarHBondContact O-N 2.91Å; T157-M160 WeakPolarHBondContact O-CB 3.36Å; T157-M160 PolarHBondContact O-N 2.81Å; T157-E161 PolarHBondContact O-N 3.22Å |
| 158 | D | 92.6 | Very high | 92.4 | Very high | 48 Ų | 48 | 75.2 Ų | 75.2 | 26% | 0.257 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -62.5 | -37.1 | 178.8 | -53.2 | -32.6 | 0 | 0 | 0 | 112 | F153 R154 G155 R156 Y162 | F153-D158 HydrophobicContact CD1-CB 4.1Å; R154-D158 WeakPolarHBondContact CA-OD2 3.44Å; R154-D158 WeakPolarHBondContact CB-OD2 3.29Å; R154-D158 PolarHBondContact N-OD2 3.01Å; G155-D158 PolarHBondContact N-OD2 3.05Å; G155-D158 PolarHBondContact O-N 3.38Å; R156-D158 VanDerWaalsContact C-N 3.35Å; R156-D158 PolarHBondContact O-N 3.12Å; D158-Y162 WeakPolarHBondContact O-CB 3.37Å; D158-Y162 PolarHBondContact O-N 3.24Å |
| 159 | L | 91.8 | Very high | 92.1 | Very high | 4 Ų | 4 | 72.4 Ų | 72.4 | 2% | 0.021 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -66.3 | -37.4 | 174.4 | -69.8 | 172.4 | 0 | 0 | 0 | 112.2 | L14 C18 W144 F153 G155 R156 T157 Y162 A163 | L14-L159 HydrophobicContact CD1-CB 4.44Å; L14-L159 HydrophobicContact CD2-CB 3.86Å; L14-L159 HydrophobicContact CD2-CD1 4.4Å; L14-L159 HydrophobicContact CG-CB 4.06Å; C18-L159 HydrophobicContact CB-CD2 3.87Å; W144-L159 HydrophobicContact CH2-CD1 3.89Å; W144-L159 HydrophobicContact CH2-CD2 4.31Å; W144-L159 HydrophobicContact CH2-CG 4.32Å; W144-L159 HydrophobicContact CZ2-CD1 3.81Å; W144-L159 HydrophobicContact CZ2-CD2 4.42Å; F153-L159 HydrophobicContact CB-CD2 3.96Å; F153-L159 HydrophobicContact CB-CG 4.26Å; F153-L159 HydrophobicContact CD1-CD2 3.91Å; F153-L159 HydrophobicContact CD1-CG 4.49Å; F153-L159 HydrophobicContact CD2-CD2 4.21Å; F153-L159 HydrophobicContact CE1-CD2 4.49Å; F153-L159 HydrophobicContact CG-CD2 3.75Å; F153-L159 HydrophobicContact CG-CG 4.45Å; G155-L159 PolarHBondContact O-N 3.34Å; R156-L159 WeakPolarHBondContact O-CB 3.46Å; R156-L159 PolarHBondContact O-N 2.97Å; T157-L159 VanDerWaalsContact C-N 3.29Å; T157-L159 PolarHBondContact O-N 2.91Å; L159-Y162 PolarHBondContact O-N 3.07Å; L159-A163 VanDerWaalsContact O-CB 3.25Å; L159-A163 WeakPolarHBondContact O-CB 3.28Å; L159-A163 PolarHBondContact O-N 2.88Å |
| 160 | M | 90.8 | Very high | 91.4 | Very high | 75 Ų | 75 | 74.5 Ų | 74.5 | 37% | 0.369 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -66.7 | -43 | 176.8 | -68.9 | -70.4 | -63.9 | 0 | 0 | 111.3 | L14 R156 T157 A163 Q164 V170 | L14-M160 HydrophobicContact CD1-SD 4.07Å; L14-M160 HydrophobicContact CD2-CG 4.04Å; L14-M160 HydrophobicContact CD2-SD 3.7Å; R156-M160 HydrophobicContact CG-CG 4.44Å; R156-M160 VanDerWaalsContact O-CG 3.32Å; R156-M160 WeakPolarHBondContact O-CG 3.41Å; R156-M160 PolarHBondContact O-N 2.93Å; T157-M160 WeakPolarHBondContact O-CB 3.36Å; T157-M160 PolarHBondContact O-N 2.81Å; M160-A163 WeakPolarHBondContact O-CB 3.06Å; M160-A163 PolarHBondContact O-N 3.39Å; M160-Q164 PolarHBondContact O-N 3.47Å; M160-V170 HydrophobicContact CE-CB 4.38Å; M160-V170 HydrophobicContact CE-CG1 3.85Å; M160-V170 HydrophobicContact CE-CG2 4.42Å; M160-V170 HydrophobicContact SD-CG1 3.73Å; M160-V170 HydrophobicContact SD-CG2 4.27Å |
| 161 | E | 93.8 | Very high | 90.3 | Very high | 116 Ų | 116 | 73.8 Ų | 73.8 | 54% | 0.542 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -63.5 | -42.8 | 175.3 | -70 | 179.1 | -172.4 | 0 | 0 | 111.5 | T157 A163 Q164 K165 | T157-E161 PolarHBondContact O-N 3.22Å; E161-A163 VanDerWaalsContact C-N 3.34Å; E161-Q164 PolarHBondContact O-N 2.79Å; E161-K165 WeakPolarHBondContact O-CB 3.31Å; E161-K165 PolarHBondContact O-N 2.84Å |
| 162 | Y | 95.7 | Very high | 88.5 | Confident | 7 Ų | 7 | 77.3 Ų | 77.3 | 3% | 0.027 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -61.8 | -43 | 173.7 | -179.1 | -95.5 | 0 | 0 | 0 | 112 | C18 V21 W22 E25 R152 F153 D158 L159 K165 H166 I168 | C18-Y162 HydrophobicContact CB-CD1 3.9Å; C18-Y162 HydrophobicContact CB-CE1 4.08Å; V21-Y162 HydrophobicContact CB-CE1 4.25Å; V21-Y162 HydrophobicContact CG1-CE1 4.31Å; V21-Y162 WeakPolarHBondContact CG1-OH 3.3Å; W22-Y162 WeakPolarHBondContact CA-OH 3.12Å; W22-Y162 PolarHBondContact N-OH 3.23Å; E25-Y162 VanDerWaalsContact CD-OH 3.27Å; E25-Y162 PolarHBondContact OE2-OH 2.56Å; R152-Y162 VanDerWaalsContact NH2-CE2 3.32Å; F153-Y162 HydrophobicContact CE1-CD1 4.4Å; F153-Y162 AromaticContact CE1-CD2 3.77Å; F153-Y162 HydrophobicContact CE1-CD2 3.77Å; F153-Y162 AromaticContact CE1-CG 3.67Å; F153-Y162 HydrophobicContact CE1-CG 3.67Å; F153-Y162 HydrophobicContact CZ-CD1 4.27Å; F153-Y162 AromaticContact CZ-CD2 3.66Å; F153-Y162 HydrophobicContact CZ-CD2 3.66Å; F153-Y162 HydrophobicContact CZ-CE2 4.01Å; F153-Y162 AromaticContact CZ-CG 3.8Å; F153-Y162 HydrophobicContact CZ-CG 3.8Å; D158-Y162 WeakPolarHBondContact O-CB 3.37Å; D158-Y162 PolarHBondContact O-N 3.24Å; L159-Y162 PolarHBondContact O-N 3.07Å; Y162-K165 PolarHBondContact O-N 3.45Å; Y162-H166 AromaticContact CD2-CE1 3.36Å; Y162-H166 WeakPolarHBondContact CD2-CE1 3.44Å; Y162-H166 AromaticContact CD2-ND1 3.45Å; Y162-H166 WeakPolarHBondContact CD2-ND1 3.41Å; Y162-H166 AromaticContact CE1-ND1 3.96Å; Y162-H166 AromaticContact CE2-CE1 3.11Å; Y162-H166 WeakPolarHBondContact CE2-CE1 3.21Å; Y162-H166 AromaticContact CE2-ND1 3.38Å; Y162-H166 WeakPolarHBondContact CE2-ND1 3.24Å; Y162-H166 AromaticContact CE2-NE2 3.87Å; Y162-H166 AromaticContact CG-ND1 3.79Å; Y162-H166 AromaticContact CZ-CE1 3.74Å; Y162-H166 AromaticContact CZ-ND1 3.64Å; Y162-H166 PolarHBondContact O-N 2.75Å; Y162-H166 PolarHBondContact O-ND1 3.21Å; Y162-I168 HydrophobicContact CD1-CD1 4.14Å; Y162-I168 HydrophobicContact CE1-CD1 4.03Å |
| 163 | A | 94.9 | Very high | 86.8 | Confident | 0 Ų | 0 | 77.5 Ų | 77.5 | 0% | 0 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -59.2 | -48.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | L14 L159 M160 E161 K165 H166 G167 I168 V170 | L14-A163 HydrophobicContact CD1-CB 3.88Å; L159-A163 VanDerWaalsContact O-CB 3.25Å; L159-A163 WeakPolarHBondContact O-CB 3.28Å; L159-A163 PolarHBondContact O-N 2.88Å; M160-A163 WeakPolarHBondContact O-CB 3.06Å; M160-A163 PolarHBondContact O-N 3.39Å; E161-A163 VanDerWaalsContact C-N 3.34Å; A163-K165 PolarHBondContact O-N 2.82Å; A163-H166 CarbonylContact O-C 3.53Å; A163-H166 PolarHBondContact O-N 3.08Å; A163-G167 PolarHBondContact O-N 2.98Å; A163-I168 HydrophobicContact CB-CB 3.79Å; A163-I168 HydrophobicContact CB-CD1 4.4Å; A163-I168 HydrophobicContact CB-CG1 4.4Å; A163-I168 HydrophobicContact CB-CG2 4.33Å; A163-I168 PolarHBondContact O-N 3.05Å; A163-V170 HydrophobicContact CB-CG2 3.71Å |
| 164 | Q | 93.8 | Very high | 85.3 | Confident | 165 Ų | 165 | 83.3 Ų | 83.3 | 77% | 0.771 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -59.9 | -46.1 | 176.9 | -172.8 | 178.4 | 12.4 | 0 | 0 | 111.9 | M160 E161 H166 G167 | M160-Q164 PolarHBondContact O-N 3.47Å; E161-Q164 PolarHBondContact O-N 2.79Å; Q164-H166 VanDerWaalsContact C-N 3.28Å; Q164-H166 PolarHBondContact O-N 3.28Å; Q164-G167 PolarHBondContact O-N 2.89Å |
| 165 | K | 95.6 | Very high | 84.3 | Confident | 166 Ų | 166 | 79.4 Ų | 79.4 | 72% | 0.722 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -61.7 | -33.6 | -179.6 | -177.5 | 175.4 | 177.2 | 178.1 | 0 | 113.1 | E161 Y162 A163 | E161-K165 WeakPolarHBondContact O-CB 3.31Å; E161-K165 PolarHBondContact O-N 2.84Å; Y162-K165 PolarHBondContact O-N 3.45Å; A163-K165 PolarHBondContact O-N 2.82Å |
| 166 | H | 95.6 | Very high | 84.1 | Confident | 57 Ų | 57 | 79.7 Ų | 79.7 | 26% | 0.264 | 44% | 0.436 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.3 | 11.5 | -178.4 | -60.6 | 84.4 | 0 | 0 | 0 | 113.2 | V21 E25 Y162 A163 Q164 I168 | V21-H166 HydrophobicContact CG1-CB 4.1Å; E25-H166 IonicContact OE1-CD2 3.75Å; E25-H166 IonicContact OE1-CE1 2.82Å; E25-H166 IonicContact OE1-NE2 3.74Å; E25-H166 PolarHBondContact OE1-NE2 3.07Å; Y162-H166 AromaticContact CD2-CE1 3.36Å; Y162-H166 WeakPolarHBondContact CD2-CE1 3.44Å; Y162-H166 AromaticContact CD2-ND1 3.45Å; Y162-H166 WeakPolarHBondContact CD2-ND1 3.41Å; Y162-H166 AromaticContact CE1-ND1 3.96Å; Y162-H166 AromaticContact CE2-CE1 3.11Å; Y162-H166 WeakPolarHBondContact CE2-CE1 3.21Å; Y162-H166 AromaticContact CE2-ND1 3.38Å; Y162-H166 WeakPolarHBondContact CE2-ND1 3.24Å; Y162-H166 AromaticContact CE2-NE2 3.87Å; Y162-H166 AromaticContact CG-ND1 3.79Å; Y162-H166 AromaticContact CZ-CE1 3.74Å; Y162-H166 AromaticContact CZ-ND1 3.64Å; Y162-H166 PolarHBondContact O-N 2.75Å; Y162-H166 PolarHBondContact O-ND1 3.21Å; A163-H166 CarbonylContact O-C 3.53Å; A163-H166 PolarHBondContact O-N 3.08Å; Q164-H166 VanDerWaalsContact C-N 3.28Å; Q164-H166 PolarHBondContact O-N 3.28Å; H166-I168 HydrophobicContact CB-CD1 4.36Å; H166-I168 HydrophobicContact CB-CG1 4.01Å; H166-I168 PolarHBondContact O-N 2.85Å |
| 167 | G | 94.2 | Very high | 84.2 | Confident | 59 Ų | 59 | 77.9 Ų | 77.9 | 61% | 0.608 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.7 | 27.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | A163 Q164 P169 | A163-G167 PolarHBondContact O-N 2.98Å; Q164-G167 PolarHBondContact O-N 2.89Å; G167-P169 VanDerWaalsContact O-CD 3.28Å; G167-P169 WeakPolarHBondContact O-CD 3.25Å |
| 168 | I | 94.9 | Very high | 84.4 | Confident | 7 Ų | 7 | 74.4 Ų | 74.4 | 4% | 0.036 | 42% | 0.415 | C | S | . | . | trans | -73.6 | 118.5 | 178.1 | -51.8 | -174.7 | 0 | 0 | 0 | 108.6 | V21 L53 Y162 A163 H166 V170 | V21-I168 HydrophobicContact CB-CD1 4.06Å; V21-I168 HydrophobicContact CG2-CD1 3.61Å; V21-I168 HydrophobicContact CG2-CG1 4Å; L53-I168 HydrophobicContact CD1-CG2 4.11Å; L53-I168 HydrophobicContact CD2-CB 4.1Å; L53-I168 HydrophobicContact CD2-CG1 3.8Å; L53-I168 HydrophobicContact CD2-CG2 4.06Å; Y162-I168 HydrophobicContact CD1-CD1 4.14Å; Y162-I168 HydrophobicContact CE1-CD1 4.03Å; A163-I168 HydrophobicContact CB-CB 3.79Å; A163-I168 HydrophobicContact CB-CD1 4.4Å; A163-I168 HydrophobicContact CB-CG1 4.4Å; A163-I168 HydrophobicContact CB-CG2 4.33Å; A163-I168 PolarHBondContact O-N 3.05Å; H166-I168 HydrophobicContact CB-CD1 4.36Å; H166-I168 HydrophobicContact CB-CG1 4.01Å; H166-I168 PolarHBondContact O-N 2.85Å; I168-V170 PolarHBondContact O-N 2.98Å | ||
| 169 | P | 89.7 | Confident | 84.2 | Confident | 69 Ų | 69 | 74.6 Ų | 74.6 | 45% | 0.448 | 42% | 0.42 | S | S | . | . | trans | -63.4 | 123.8 | 177.5 | -21.3 | 33.6 | 0 | 0 | 0 | 110.4 | K49 G167 | K49-P169 WeakPolarHBondContact CE-O 3.5Å; K49-P169 PolarHBondContact NZ-O 2.67Å; G167-P169 VanDerWaalsContact O-CD 3.28Å; G167-P169 WeakPolarHBondContact O-CD 3.25Å | ||
| 170 | V | 81.3 | Confident | 84.3 | Confident | 44 Ų | 44 | 77.8 Ų | 77.8 | 27% | 0.267 | 44% | 0.435 | S | S | . | . | trans | -108.5 | 139.1 | 173.2 | -171.4 | 0 | 0 | 0 | 0 | 108.1 | L14 M160 A163 I168 V172 | L14-V170 HydrophobicContact CD1-CG2 4.02Å; M160-V170 HydrophobicContact CE-CB 4.38Å; M160-V170 HydrophobicContact CE-CG1 3.85Å; M160-V170 HydrophobicContact CE-CG2 4.42Å; M160-V170 HydrophobicContact SD-CG1 3.73Å; M160-V170 HydrophobicContact SD-CG2 4.27Å; A163-V170 HydrophobicContact CB-CG2 3.71Å; I168-V170 PolarHBondContact O-N 2.98Å; V170-V172 PolarHBondContact O-N 2.72Å | ||
| 171 | P | 70.8 | Confident | 84.5 | Confident | 87 Ų | 87 | 75.9 Ų | 75.9 | 57% | 0.565 | 43% | 0.427 | S | S | * | . | trans | -51.8 | 133.6 | 173.7 | -25.2 | 33.7 | 0 | 0 | 0 | 111.1 | T173 | P171-T173 PolarHBondContact O-N 2.8Š| ||
| 172 | V | 55.6 | Low | 84.7 | Confident | 150 Ų | 150 | 72 Ų | 72 | 91% | 0.909 | 42% | 0.415 | S | S | * | . | S | Bend | trans | -75.7 | -16.7 | -176.7 | -143.3 | 0 | 0 | 0 | 0 | 111.9 | V170 | V170-V172 PolarHBondContact O-N 2.72Š|
| 173 | T | 59.9 | Low | 84.8 | Confident | 110 Ų | 110 | 71.9 Ų | 71.9 | 68% | 0.675 | 41% | 0.414 | S | S | * | . | S | Bend | trans | -74.2 | 131.3 | 178.3 | 11.6 | 0 | 0 | 0 | 0 | 111 | P171 R175 | P171-T173 PolarHBondContact O-N 2.8Å; T173-R175 PolarHBondContact O-N 3.46Å |
| 174 | P | 61 | Low | 85 | Confident | 127 Ų | 127 | 72.6 Ų | 72.6 | 83% | 0.825 | 42% | 0.418 | S | S | * | . | P | Polyproline II helix | trans | -52.8 | 118.6 | 167.4 | -22.1 | 32 | 0 | 0 | 0 | 108.7 | ||
| 175 | R | 66.9 | Low | 85.2 | Confident | 134 Ų | 134 | 65.1 Ų | 65.1 | 51% | 0.506 | 38% | 0.383 | S | S | . | . | P | Polyproline II helix | trans | -71.3 | 146.5 | 179.4 | -155.5 | 173.6 | -176.5 | -173.4 | 0.1 | 108.5 | T173 | T173-R175 PolarHBondContact O-N 3.46Š|
| 176 | A | 78.4 | Confident | 85.4 | Confident | 38 Ų | 38 | 57.2 Ų | 57.2 | 31% | 0.314 | 35% | 0.349 | S | S | . | . | P | Polyproline II helix | trans | -52.4 | 146.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | W178 | A176-W178 HydrophobicContact CB-CD2 3.88Å; A176-W178 VanDerWaalsContact CB-CE2 3.44Å; A176-W178 HydrophobicContact CB-CE3 4.47Å; A176-W178 HydrophobicContact CB-CG 4.28Å; A176-W178 HydrophobicContact CB-CH2 4.32Å; A176-W178 HydrophobicContact CB-CZ2 3.7Å; A176-W178 PolarHBondContact O-N 3.42Å |
| 177 | P | 84.9 | Confident | 85.5 | Confident | 76 Ų | 76 | 54.8 Ų | 54.8 | 49% | 0.494 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -76.9 | 30.9 | -177.8 | 33.6 | -36.3 | 0 | 0 | 0 | 113 | G192 I193 | P177-G192 WeakPolarHBondContact O-CA 3.37Å; P177-I193 HydrophobicContact CB-CG2 4.23Å; P177-I193 HydrophobicContact CG-CD1 4.3Å; P177-I193 HydrophobicContact CG-CG1 4.49Å; P177-I193 HydrophobicContact CG-CG2 4.35Å; P177-I193 PolarHBondContact O-N 3.4Å |
| 178 | W | 89.6 | Confident | 85.7 | Confident | 24 Ų | 24 | 52.6 Ų | 52.6 | 9% | 0.091 | 31% | 0.313 | C | S | . | . | S | Bend | trans | -146.6 | 161.9 | 177.2 | 52.8 | 81.6 | 0 | 0 | 0 | 109.9 | A176 Y189 E190 I193 L194 P202 L205 | A176-W178 HydrophobicContact CB-CD2 3.88Å; A176-W178 VanDerWaalsContact CB-CE2 3.44Å; A176-W178 HydrophobicContact CB-CE3 4.47Å; A176-W178 HydrophobicContact CB-CG 4.28Å; A176-W178 HydrophobicContact CB-CH2 4.32Å; A176-W178 HydrophobicContact CB-CZ2 3.7Å; A176-W178 PolarHBondContact O-N 3.42Å; W178-Y189 AromaticContact CD1-CD1 3.7Å; W178-Y189 AromaticContact NE1-CD1 3.63Å; W178-E190 CarbonylContact C-O 3.5Å; W178-E190 WeakPolarHBondContact CA-O 3.17Å; W178-E190 WeakPolarHBondContact CB-O 3.45Å; W178-I193 HydrophobicContact CE3-CD1 3.76Å; W178-I193 HydrophobicContact CE3-CG1 4Å; W178-I193 HydrophobicContact CZ3-CD1 3.75Å; W178-I193 HydrophobicContact CZ3-CG1 4.49Å; W178-L194 HydrophobicContact CB-CD1 4.1Å; W178-L194 HydrophobicContact CB-CG 4.48Å; W178-P202 HydrophobicContact CE3-CG 4.49Å; W178-P202 HydrophobicContact CH2-CG 3.79Å; W178-P202 HydrophobicContact CZ3-CG 3.6Å; W178-L205 HydrophobicContact CD2-CD1 3.58Å; W178-L205 HydrophobicContact CE3-CD1 4.12Å; W178-L205 HydrophobicContact CG-CD1 3.97Å; W178-L205 HydrophobicContact CH2-CD1 4.18Å; W178-L205 HydrophobicContact CZ2-CB 4.48Å; W178-L205 HydrophobicContact CZ2-CD1 3.62Å; W178-L205 HydrophobicContact CZ3-CD1 4.4Å |
| 179 | S | 90.1 | Very high | 85.8 | Confident | 52 Ų | 52 | 52.3 Ų | 52.3 | 36% | 0.364 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 148 | 171.7 | -169.4 | 0 | 0 | 0 | 0 | 110.2 | Y189 E190 | S179-Y189 WeakPolarHBondContact O-CA 3.47Å; S179-E190 PolarHBondContact N-O 2.79Å; S179-E190 PolarHBondContact O-N 3.48Å; S179-E190 VanDerWaalsContact O-N 3.13Å |
| 180 | M | 93.5 | Very high | 86 | Confident | 70 Ų | 70 | 51.2 Ų | 51.2 | 35% | 0.345 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 140.1 | 179.2 | -65.9 | 164.9 | 55.6 | 0 | 0 | 110.2 | I187 S188 Y189 L207 | M180-I187 HydrophobicContact CE-CD1 3.53Å; M180-S188 VanDerWaalsContact CA-O 3.31Å; M180-S188 WeakPolarHBondContact CA-O 3.37Å; M180-Y189 HydrophobicContact CE-CE1 4.06Å; M180-Y189 HydrophobicContact CG-CD1 3.62Å; M180-Y189 HydrophobicContact CG-CE1 3.81Å; M180-Y189 HydrophobicContact SD-CD1 4.39Å; M180-Y189 HydrophobicContact SD-CE1 4.12Å; M180-L207 HydrophobicContact CE-CD1 3.23Å; M180-L207 HydrophobicContact CE-CG 4.41Å; M180-L207 HydrophobicContact SD-CD1 4.47Å |
| 181 | D | 94.9 | Very high | 86.5 | Confident | 35 Ų | 35 | 51.1 Ų | 51.1 | 19% | 0.187 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 116 | 166.9 | 178.6 | 59.4 | 0 | 0 | 0 | 107.8 | T90 R94 I187 S188 | T90-D181 WeakPolarHBondContact CB-OD2 3.45Å; T90-D181 WeakPolarHBondContact CG2-OD2 3.16Å; T90-D181 PolarHBondContact OG1-OD2 3.11Å; R94-D181 IonicContact CZ-OD1 3.87Å; R94-D181 IonicContact CZ-OD2 2.75Å; R94-D181 IonicContact NH1-OD1 3.54Å; R94-D181 PolarHBondContact NH1-OD1 3.47Å; R94-D181 IonicContact NH1-OD2 3.54Å; R94-D181 PolarHBondContact NH1-OD2 3.26Å; R94-D181 IonicContact NH2-OD1 2.66Å; R94-D181 PolarHBondContact NH2-OD1 3.23Å; R94-D181 IonicContact NH2-OD2 2.85Å; R94-D181 PolarHBondContact NH2-OD2 2.98Å; D181-I187 WeakPolarHBondContact O-CA 3.41Å; D181-S188 PolarHBondContact N-O 3.3Å; D181-S188 VanDerWaalsContact N-O 3.13Å; D181-S188 PolarHBondContact O-N 2.97Å; D181-S188 PolarHBondContact O-OG 3.28Å |
| 182 | A | 96.9 | Very high | 87.4 | Confident | 35 Ų | 35 | 48.9 Ų | 48.9 | 29% | 0.289 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 143.2 | -177.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | Q39 I187 | Q39-A182 HydrophobicContact CB-CB 4.22Å; Q39-A182 WeakPolarHBondContact CB-O 3.45Å; A182-I187 HydrophobicContact CB-CB 4.28Å; A182-I187 HydrophobicContact CB-CD1 3.78Å; A182-I187 HydrophobicContact CB-CG1 3.9Å |
| 183 | N | 98.5 | Very high | 89.2 | Confident | 4 Ų | 4 | 45.4 Ų | 45.4 | 2% | 0.021 | 27% | 0.27 | C | S | . | . | trans | -155.2 | -175.5 | 169.7 | 58.3 | 64.8 | 0 | 0 | 0 | 108.3 | I37 F67 G89 M185 H186 | I37-N183 HydrophobicContact CG1-CB 4.48Å; I37-N183 HydrophobicContact CG2-CB 3.64Å; F67-N183 HydrophobicContact CE1-CB 4.35Å; G89-N183 PolarHBondContact O-ND2 3.4Å; N183-M185 VanDerWaalsContact C-N 3.29Å; N183-M185 PolarHBondContact O-N 3.43Å; N183-M185 WeakPolarHBondContact OD1-CA 3.48Å; N183-M185 VanDerWaalsContact OD1-CB 3.31Å; N183-M185 WeakPolarHBondContact OD1-CB 3.48Å; N183-M185 PolarHBondContact OD1-N 3.04Å; N183-H186 PolarHBondContact N-O 3.07Å; N183-H186 PolarHBondContact OD1-N 3.24Å; N183-H186 VanDerWaalsContact OD1-N 3.17Å | ||
| 184 | L | 98.5 | Very high | 90.9 | Very high | 16 Ų | 16 | 40.2 Ų | 40.2 | 8% | 0.084 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -59.1 | -39.8 | -179.6 | -167.3 | 68.4 | 0 | 0 | 0 | 112.3 | I37 F67 V68 L247 F250 N254 | I37-L184 VanDerWaalsContact O-CB 3.31Å; I37-L184 WeakPolarHBondContact O-CB 3.47Å; I37-L184 PolarHBondContact O-N 2.94Å; F67-L184 HydrophobicContact CD1-CB 4.05Å; F67-L184 HydrophobicContact CE1-CB 4.18Å; V68-L184 HydrophobicContact CG2-CD2 3.35Å; L184-L247 HydrophobicContact CD1-CD1 4.33Å; L184-L247 HydrophobicContact CD2-CD1 3.51Å; L184-F250 HydrophobicContact CD2-CD1 3.88Å; L184-F250 HydrophobicContact CG-CD1 3.77Å; L184-F250 HydrophobicContact CG-CE1 4.08Å; L184-F250 WeakPolarHBondContact O-CE1 3.48Å; L184-N254 PolarHBondContact O-ND2 3.46Å |
| 185 | M | 98.7 | Very high | 92.5 | Very high | 8 Ų | 8 | 40.3 Ų | 40.3 | 4% | 0.039 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -71.7 | -43.4 | -175 | -177.9 | 68.4 | 175.9 | 0 | 0 | 112.1 | F67 I72 L87 I92 N183 F250 T283 | F67-M185 HydrophobicContact CE1-CB 3.95Å; F67-M185 HydrophobicContact CZ-CB 3.95Å; I72-M185 HydrophobicContact CD1-CB 4.07Å; I72-M185 HydrophobicContact CD1-SD 4.12Å; I72-M185 HydrophobicContact CG1-SD 4.18Å; I72-M185 HydrophobicContact CG2-SD 3.97Å; L87-M185 HydrophobicContact CB-CE 4.22Å; I92-M185 HydrophobicContact CD1-CG 4.19Å; N183-M185 VanDerWaalsContact C-N 3.29Å; N183-M185 PolarHBondContact O-N 3.43Å; N183-M185 WeakPolarHBondContact OD1-CA 3.48Å; N183-M185 VanDerWaalsContact OD1-CB 3.31Å; N183-M185 WeakPolarHBondContact OD1-CB 3.48Å; N183-M185 PolarHBondContact OD1-N 3.04Å; M185-F250 HydrophobicContact CB-CZ 4.49Å; M185-F250 HydrophobicContact CG-CZ 4.49Å; M185-F250 HydrophobicContact SD-CE1 4.31Å; M185-F250 HydrophobicContact SD-CE2 3.85Å; M185-F250 HydrophobicContact SD-CZ 3.34Å; M185-F250 WeakPolarHBondContact SD-CZ 3.39Å; M185-T283 HydrophobicContact CE-CG2 3.8Å; M185-T283 HydrophobicContact CG-CG2 4.2Å; M185-T283 WeakPolarHBondContact O-CG2 3.38Å; M185-T283 HydrophobicContact SD-CG2 4.28Å |
| 186 | H | 98.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 23% | 0.225 | C | C | . | . | trans | -156.9 | 174.9 | -174.1 | 81.4 | 171 | 0 | 0 | 0 | 113.9 | Y86 T90 N183 Y281 E282 T283 | Y86-H186 AromaticContact CE2-CE1 3.7Å; Y86-H186 AromaticContact CE2-ND1 3.8Å; Y86-H186 PolarHBondContact OH-CE1 2.91Å; T90-H186 PolarHBondContact N-CE1 2.85Å; T90-H186 PolarHBondContact N-NE2 3.22Å; T90-H186 PolarHBondContact OG1-CE1 2.93Å; T90-H186 PolarHBondContact OG1-NE2 3.37Å; N183-H186 PolarHBondContact N-O 3.07Å; N183-H186 PolarHBondContact OD1-N 3.24Å; N183-H186 VanDerWaalsContact OD1-N 3.17Å; H186-Y281 AromaticContact CE1-CD1 3.6Å; H186-Y281 AromaticContact CE1-CE1 3.9Å; H186-Y281 AromaticContact ND1-CD1 3.7Å; H186-E282 WeakPolarHBondContact CA-O 3.47Å; H186-E282 WeakPolarHBondContact CB-O 3.31Å; H186-T283 HydrophobicContact CB-CG2 4.11Å; H186-T283 WeakPolarHBondContact CB-OG1 3.3Å | ||
| 187 | I | 98.6 | Very high | 94.7 | Very high | 6 Ų | 6 | 40.3 Ų | 40.3 | 3% | 0.031 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 137.2 | 155.4 | -171.1 | 162.9 | 0 | 0 | 0 | 109.6 | M180 D181 A182 Y189 L207 M208 Y281 E282 | M180-I187 HydrophobicContact CE-CD1 3.53Å; D181-I187 WeakPolarHBondContact O-CA 3.41Å; A182-I187 HydrophobicContact CB-CB 4.28Å; A182-I187 HydrophobicContact CB-CD1 3.78Å; A182-I187 HydrophobicContact CB-CG1 3.9Å; I187-Y189 HydrophobicContact CB-CE2 4.4Å; I187-Y189 HydrophobicContact CD1-CE1 4.09Å; I187-Y189 HydrophobicContact CG1-CE1 4.21Å; I187-Y189 HydrophobicContact CG1-CE2 4.13Å; I187-Y189 HydrophobicContact CG2-CE2 3.62Å; I187-Y189 WeakPolarHBondContact CG2-OH 3.35Å; I187-L207 HydrophobicContact CD1-CB 4.44Å; I187-L207 HydrophobicContact CD1-CD1 4.1Å; I187-M208 HydrophobicContact CB-CG 4.17Å; I187-M208 HydrophobicContact CB-SD 3.8Å; I187-M208 HydrophobicContact CG2-CB 4.08Å; I187-M208 HydrophobicContact CG2-CG 3.58Å; I187-M208 HydrophobicContact CG2-SD 3.63Å; I187-M208 PolarHBondContact N-SD 2.57Å; I187-Y281 WeakPolarHBondContact O-CA 3.49Å; I187-E282 HydrophobicContact CG2-CB 3.76Å; I187-E282 HydrophobicContact CG2-CG 4.05Å; I187-E282 WeakPolarHBondContact CG2-OE2 3.5Å; I187-E282 PolarHBondContact N-O 3.39Å; I187-E282 VanDerWaalsContact N-O 3.09Å; I187-E282 PolarHBondContact O-N 2.95Å |
| 188 | S | 98.1 | Very high | 95.3 | Very high | 12 Ų | 12 | 45.1 Ų | 45.1 | 8% | 0.084 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 146.1 | 175.1 | 71.4 | 0 | 0 | 0 | 0 | 111.4 | M180 D181 I280 | M180-S188 VanDerWaalsContact CA-O 3.31Å; M180-S188 WeakPolarHBondContact CA-O 3.37Å; D181-S188 PolarHBondContact N-O 3.3Å; D181-S188 VanDerWaalsContact N-O 3.13Å; D181-S188 PolarHBondContact O-N 2.97Å; D181-S188 PolarHBondContact O-OG 3.28Å; S188-I280 CarbonylContact C-O 3.6Å; S188-I280 WeakPolarHBondContact CA-O 3.42Å |
| 189 | Y | 97.5 | Very high | 95.6 | Very high | 1 Ų | 1 | 46 Ų | 46 | 0% | 0.004 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 129.4 | 178.3 | -51.1 | -90.4 | 0 | 0 | 0 | 110.5 | W178 S179 M180 I187 L205 L207 G279 I280 E282 | W178-Y189 AromaticContact CD1-CD1 3.7Å; W178-Y189 AromaticContact NE1-CD1 3.63Å; S179-Y189 WeakPolarHBondContact O-CA 3.47Å; M180-Y189 HydrophobicContact CE-CE1 4.06Å; M180-Y189 HydrophobicContact CG-CD1 3.62Å; M180-Y189 HydrophobicContact CG-CE1 3.81Å; M180-Y189 HydrophobicContact SD-CD1 4.39Å; M180-Y189 HydrophobicContact SD-CE1 4.12Å; I187-Y189 HydrophobicContact CB-CE2 4.4Å; I187-Y189 HydrophobicContact CD1-CE1 4.09Å; I187-Y189 HydrophobicContact CG1-CE1 4.21Å; I187-Y189 HydrophobicContact CG1-CE2 4.13Å; I187-Y189 HydrophobicContact CG2-CE2 3.62Å; I187-Y189 WeakPolarHBondContact CG2-OH 3.35Å; Y189-L205 HydrophobicContact CD1-CD1 3.45Å; Y189-L205 VanDerWaalsContact CD1-CD1 3.45Å; Y189-L205 HydrophobicContact CD1-CG 3.93Å; Y189-L205 HydrophobicContact CD2-CD1 4.41Å; Y189-L205 HydrophobicContact CD2-CD2 4.32Å; Y189-L205 HydrophobicContact CD2-CG 4.13Å; Y189-L205 HydrophobicContact CE1-CD1 4.03Å; Y189-L205 HydrophobicContact CE1-CG 4.21Å; Y189-L205 WeakPolarHBondContact CE1-O 3.3Å; Y189-L205 HydrophobicContact CE2-CG 4.41Å; Y189-L205 HydrophobicContact CG-CD1 3.67Å; Y189-L205 HydrophobicContact CG-CD2 4.23Å; Y189-L205 HydrophobicContact CG-CG 3.89Å; Y189-L205 PolarHBondContact OH-O 2.87Å; Y189-L207 WeakPolarHBondContact OH-CB 3.5Å; Y189-L207 WeakPolarHBondContact OH-CG 3.35Å; Y189-L207 PolarHBondContact OH-N 3.48Å; Y189-G279 WeakPolarHBondContact O-CA 3.32Å; Y189-I280 HydrophobicContact CD2-CB 4.47Å; Y189-I280 WeakPolarHBondContact CD2-O 3.44Å; Y189-I280 PolarHBondContact N-O 3.35Å; Y189-I280 PolarHBondContact O-N 2.89Å; Y189-E282 HydrophobicContact CE2-CG 4.12Å; Y189-E282 PolarHBondContact OH-OE2 2.7Å |
| 190 | E | 94.4 | Very high | 95.9 | Very high | 47 Ų | 47 | 51.8 Ų | 51.8 | 22% | 0.22 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 179.2 | 177.8 | 67.2 | 170.4 | -133.1 | 0 | 0 | 112.2 | W178 S179 R271 | W178-E190 CarbonylContact C-O 3.5Å; W178-E190 WeakPolarHBondContact CA-O 3.17Å; W178-E190 WeakPolarHBondContact CB-O 3.45Å; S179-E190 PolarHBondContact N-O 2.79Å; S179-E190 PolarHBondContact O-N 3.48Å; S179-E190 VanDerWaalsContact O-N 3.13Å; E190-R271 IonicContact OE1-CZ 2.68Å; E190-R271 IonicContact OE1-NH2 2.78Å; E190-R271 PolarHBondContact OE1-NH2 3.18Å; E190-R271 IonicContact OE2-NH2 2.68Å; E190-R271 PolarHBondContact OE2-NH2 2.68Å |
| 191 | S | 90.9 | Very high | 96 | Very high | 42 Ų | 42 | 49.6 Ų | 49.6 | 29% | 0.294 | 27% | 0.274 | S | S | . | . | S | Bend | trans | 64.7 | 174.2 | 177.2 | -63.1 | 0 | 0 | 0 | 0 | 115.5 | I193 L194 | S191-I193 PolarHBondContact O-N 3.13Å; S191-L194 PolarHBondContact O-N 2.8Å |
| 192 | G | 90.5 | Very high | 95.9 | Very high | 40 Ų | 40 | 49.6 Ų | 49.6 | 41% | 0.412 | 28% | 0.276 | S | S | . | . | G | 310 helix | trans | 58.5 | -125.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | P177 L194 E195 | P177-G192 WeakPolarHBondContact O-CA 3.37Å; G192-L194 PolarHBondContact O-N 2.84Å; G192-L194 VanDerWaalsContact O-N 3.1Å; G192-E195 PolarHBondContact N-OE1 3.44Å; G192-E195 WeakPolarHBondContact O-CB 3.37Å; G192-E195 PolarHBondContact O-N 3.25Å; G192-E195 VanDerWaalsContact O-N 3.12Å |
| 193 | I | 92.5 | Very high | 95.6 | Very high | 76 Ų | 76 | 52.3 Ų | 52.3 | 39% | 0.39 | 30% | 0.298 | S | S | . | . | G | 310 helix | trans | -62.3 | -21.5 | -176.4 | 64.6 | 167.1 | 0 | 0 | 0 | 113.6 | P177 W178 S191 S199 P202 | P177-I193 HydrophobicContact CB-CG2 4.23Å; P177-I193 HydrophobicContact CG-CD1 4.3Å; P177-I193 HydrophobicContact CG-CG1 4.49Å; P177-I193 HydrophobicContact CG-CG2 4.35Å; P177-I193 PolarHBondContact O-N 3.4Å; W178-I193 HydrophobicContact CE3-CD1 3.76Å; W178-I193 HydrophobicContact CE3-CG1 4Å; W178-I193 HydrophobicContact CZ3-CD1 3.75Å; W178-I193 HydrophobicContact CZ3-CG1 4.49Å; S191-I193 PolarHBondContact O-N 3.13Å; I193-S199 WeakPolarHBondContact O-CB 3.35Å; I193-P202 HydrophobicContact CD1-CG 3.96Å |
| 194 | L | 95.3 | Very high | 95.3 | Very high | 1 Ų | 1 | 57.6 Ų | 57.6 | 1% | 0.005 | 33% | 0.327 | C | S | . | . | G | 310 helix | trans | -82.1 | -13.8 | -178.5 | -58.4 | 179.4 | 0 | 0 | 0 | 112.8 | W178 S191 G192 N196 L205 R278 I280 | W178-L194 HydrophobicContact CB-CD1 4.1Å; W178-L194 HydrophobicContact CB-CG 4.48Å; S191-L194 PolarHBondContact O-N 2.8Å; G192-L194 PolarHBondContact O-N 2.84Å; G192-L194 VanDerWaalsContact O-N 3.1Å; L194-N196 VanDerWaalsContact C-N 3.27Å; L194-N196 PolarHBondContact O-N 2.81Å; L194-L205 HydrophobicContact CD1-CD1 4.18Å; L194-L205 HydrophobicContact CD1-CD2 4.38Å; L194-L205 HydrophobicContact CD2-CD2 4.5Å; L194-R278 WeakPolarHBondContact O-CD 3.39Å; L194-R278 PolarHBondContact O-NH1 3.39Å; L194-R278 VanDerWaalsContact O-NH1 3.11Å; L194-I280 HydrophobicContact CD1-CD1 4.36Å; L194-I280 HydrophobicContact CD2-CD1 3.87Å |
| 195 | E | 94.3 | Very high | 95.1 | Very high | 129 Ų | 129 | 56.9 Ų | 56.9 | 60% | 0.603 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -63.4 | -32.3 | -178.8 | -70.2 | 178.6 | 172.2 | 0 | 0 | 113 | G192 P197 | G192-E195 PolarHBondContact N-OE1 3.44Å; G192-E195 WeakPolarHBondContact O-CB 3.37Å; G192-E195 PolarHBondContact O-N 3.25Å; G192-E195 VanDerWaalsContact O-N 3.12Å; E195-P197 WeakPolarHBondContact O-CD 3.45Å |
| 196 | N | 96.8 | Very high | 95 | Very high | 87 Ų | 87 | 58.9 Ų | 58.9 | 47% | 0.465 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -77.9 | 110.6 | 170.7 | 179.5 | -2.9 | 0 | 0 | 0 | 108.9 | L194 K198 S199 R278 | L194-N196 VanDerWaalsContact C-N 3.27Å; L194-N196 PolarHBondContact O-N 2.81Å; N196-K198 PolarHBondContact O-N 3.39Å; N196-K198 VanDerWaalsContact OD1-CB 3.3Å; N196-K198 WeakPolarHBondContact OD1-CB 3.3Å; N196-K198 PolarHBondContact OD1-N 3.26Å; N196-S199 WeakPolarHBondContact O-CB 3.12Å; N196-S199 PolarHBondContact O-N 2.86Å; N196-R278 PolarHBondContact O-NH1 2.86Å |
| 197 | P | 96.3 | Very high | 94.9 | Very high | 85 Ų | 85 | 64.4 Ų | 64.4 | 55% | 0.552 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -11.7 | -176.2 | -19.8 | 35.3 | 0 | 0 | 0 | 114.2 | E195 V268 | E195-P197 WeakPolarHBondContact O-CD 3.45Å; P197-V268 HydrophobicContact CB-CG2 4.43Å |
| 198 | K | 97.3 | Very high | 94.8 | Very high | 178 Ų | 178 | 66.8 Ų | 66.8 | 77% | 0.774 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.4 | -22 | 173.9 | -168.6 | 178.7 | 177.2 | -178.1 | 0 | 112.7 | N196 | N196-K198 PolarHBondContact O-N 3.39Å; N196-K198 VanDerWaalsContact OD1-CB 3.3Å; N196-K198 WeakPolarHBondContact OD1-CB 3.3Å; N196-K198 PolarHBondContact OD1-N 3.26Å |
| 199 | S | 95.6 | Very high | 94.8 | Very high | 42 Ų | 42 | 66.7 Ų | 66.7 | 29% | 0.294 | 37% | 0.369 | S | S | . | . | S | Bend | trans | -71.7 | 131.3 | 179.5 | -63.5 | 0 | 0 | 0 | 0 | 110.3 | I193 N196 R278 | I193-S199 WeakPolarHBondContact O-CB 3.35Å; N196-S199 WeakPolarHBondContact O-CB 3.12Å; N196-S199 PolarHBondContact O-N 2.86Å; S199-R278 PolarHBondContact O-NH1 2.88Å; S199-R278 PolarHBondContact O-NH2 2.94Å |
| 200 | H | 95.3 | Very high | 94.9 | Very high | 174 Ų | 174 | 71.9 Ų | 71.9 | 81% | 0.806 | 39% | 0.392 | S | S | * | . | P | Polyproline II helix | trans | -76.6 | 149.6 | 174.8 | -69.5 | -140.1 | 0 | 0 | 0 | 110.3 | ||
| 201 | A | 95.6 | Very high | 95 | Very high | 24 Ų | 24 | 72.2 Ų | 72.2 | 20% | 0.198 | 40% | 0.396 | C | S | . | . | P | Polyproline II helix | trans | -59.9 | 132.6 | 169.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | L205 Y206 I280 | A201-L205 HydrophobicContact CB-CD2 3.59Å; A201-Y206 HydrophobicContact CB-CE2 4.17Å; A201-Y206 WeakPolarHBondContact CB-OH 3.43Å; A201-I280 HydrophobicContact CB-CD1 3.66Å |
| 202 | P | 94.2 | Very high | 95.3 | Very high | 35 Ų | 35 | 72 Ų | 72 | 23% | 0.227 | 39% | 0.393 | C | S | . | . | P | Polyproline II helix | trans | -69.9 | 155.3 | 171.7 | 33 | -35.6 | 0 | 0 | 0 | 110.5 | W178 I193 D204 L205 | W178-P202 HydrophobicContact CE3-CG 4.49Å; W178-P202 HydrophobicContact CH2-CG 3.79Å; W178-P202 HydrophobicContact CZ3-CG 3.6Å; I193-P202 HydrophobicContact CD1-CG 3.96Å; P202-D204 VanDerWaalsContact C-N 3.26Å; P202-D204 WeakPolarHBondContact CB-OD1 3.34Å; P202-D204 PolarHBondContact O-N 3Å; P202-L205 HydrophobicContact CG-CB 4.18Å; P202-L205 WeakPolarHBondContact O-CB 3.48Å; P202-L205 PolarHBondContact O-N 3.25Å; P202-L205 VanDerWaalsContact O-N 3.15Å |
| 203 | A | 91.1 | Very high | 95.5 | Very high | 92 Ų | 92 | 77.6 Ų | 77.6 | 76% | 0.76 | 41% | 0.408 | S | S | * | . | G | 310 helix | trans | -65.4 | -29 | -173.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | L205 | A203-L205 VanDerWaalsContact C-N 3.27Å; A203-L205 PolarHBondContact O-N 3.29Å |
| 204 | D | 91.1 | Very high | 95.7 | Very high | 115 Ų | 115 | 79.7 Ų | 79.7 | 62% | 0.615 | 42% | 0.421 | S | S | * | . | G | 310 helix | trans | -83.5 | 3 | 178.5 | 66.4 | -24.9 | 0 | 0 | 0 | 113.7 | P202 | P202-D204 VanDerWaalsContact C-N 3.26Å; P202-D204 WeakPolarHBondContact CB-OD1 3.34Å; P202-D204 PolarHBondContact O-N 3Å |
| 205 | L | 95 | Very high | 95.8 | Very high | 1 Ų | 1 | 79.9 Ų | 79.9 | 1% | 0.005 | 42% | 0.422 | C | S | . | . | G | 310 helix | trans | -62.5 | -44.3 | 175.8 | -175.6 | 68.1 | 0 | 0 | 0 | 111.7 | W178 Y189 L194 A201 P202 A203 I280 | W178-L205 HydrophobicContact CD2-CD1 3.58Å; W178-L205 HydrophobicContact CE3-CD1 4.12Å; W178-L205 HydrophobicContact CG-CD1 3.97Å; W178-L205 HydrophobicContact CH2-CD1 4.18Å; W178-L205 HydrophobicContact CZ2-CB 4.48Å; W178-L205 HydrophobicContact CZ2-CD1 3.62Å; W178-L205 HydrophobicContact CZ3-CD1 4.4Å; Y189-L205 HydrophobicContact CD1-CD1 3.45Å; Y189-L205 VanDerWaalsContact CD1-CD1 3.45Å; Y189-L205 HydrophobicContact CD1-CG 3.93Å; Y189-L205 HydrophobicContact CD2-CD1 4.41Å; Y189-L205 HydrophobicContact CD2-CD2 4.32Å; Y189-L205 HydrophobicContact CD2-CG 4.13Å; Y189-L205 HydrophobicContact CE1-CD1 4.03Å; Y189-L205 HydrophobicContact CE1-CG 4.21Å; Y189-L205 WeakPolarHBondContact CE1-O 3.3Å; Y189-L205 HydrophobicContact CE2-CG 4.41Å; Y189-L205 HydrophobicContact CG-CD1 3.67Å; Y189-L205 HydrophobicContact CG-CD2 4.23Å; Y189-L205 HydrophobicContact CG-CG 3.89Å; Y189-L205 PolarHBondContact OH-O 2.87Å; L194-L205 HydrophobicContact CD1-CD1 4.18Å; L194-L205 HydrophobicContact CD1-CD2 4.38Å; L194-L205 HydrophobicContact CD2-CD2 4.5Å; A201-L205 HydrophobicContact CB-CD2 3.59Å; P202-L205 HydrophobicContact CG-CB 4.18Å; P202-L205 WeakPolarHBondContact O-CB 3.48Å; P202-L205 PolarHBondContact O-N 3.25Å; P202-L205 VanDerWaalsContact O-N 3.15Å; A203-L205 VanDerWaalsContact C-N 3.27Å; A203-L205 PolarHBondContact O-N 3.29Å; L205-I280 HydrophobicContact CD2-CB 4.21Å; L205-I280 HydrophobicContact CD2-CD1 3.78Å; L205-I280 HydrophobicContact CD2-CG2 3.98Å |
| 206 | Y | 96.8 | Very high | 95.9 | Very high | 50 Ų | 50 | 75.5 Ų | 75.5 | 20% | 0.196 | 40% | 0.404 | C | S | . | . | trans | -82.8 | 121.7 | -164.2 | -58.4 | -78.9 | 0 | 0 | 0 | 111.7 | A201 R264 I280 E282 | A201-Y206 HydrophobicContact CB-CE2 4.17Å; A201-Y206 WeakPolarHBondContact CB-OH 3.43Å; Y206-R264 HydrophobicContact CD1-CG 4.04Å; Y206-R264 VanDerWaalsContact CD2-CZ 3.46Å; Y206-R264 HydrophobicContact CE1-CB 4.42Å; Y206-R264 HydrophobicContact CE1-CG 3.97Å; Y206-R264 VanDerWaalsContact CG-NH2 3.32Å; Y206-I280 HydrophobicContact CE1-CG2 3.95Å; Y206-E282 WeakPolarHBondContact CA-OE2 3.27Å; Y206-E282 WeakPolarHBondContact CB-OE1 3.4Å; Y206-E282 HydrophobicContact CD1-CG 3.85Å | ||
| 207 | L | 95.9 | Very high | 96 | Very high | 115 Ų | 115 | 77.6 Ų | 77.6 | 60% | 0.602 | 42% | 0.416 | S | S | * | . | S | Bend | trans | -112.8 | -30.2 | -175.2 | -59.1 | -174.5 | 0 | 0 | 0 | 112.9 | M180 I187 Y189 E282 | M180-L207 HydrophobicContact CE-CD1 3.23Å; M180-L207 HydrophobicContact CE-CG 4.41Å; M180-L207 HydrophobicContact SD-CD1 4.47Å; I187-L207 HydrophobicContact CD1-CB 4.44Å; I187-L207 HydrophobicContact CD1-CD1 4.1Å; Y189-L207 WeakPolarHBondContact OH-CB 3.5Å; Y189-L207 WeakPolarHBondContact OH-CG 3.35Å; Y189-L207 PolarHBondContact OH-N 3.48Å; L207-E282 PolarHBondContact N-OE2 3.37Å |
| 208 | M | 97.1 | Very high | 96.1 | Very high | 57 Ų | 57 | 77.8 Ų | 77.8 | 28% | 0.281 | 42% | 0.415 | S | S | . | . | S | Bend | trans | -88.3 | -24.2 | -178.7 | -74 | -172.6 | 78.5 | 0 | 0 | 113.1 | I187 G258 E282 P284 | I187-M208 HydrophobicContact CB-CG 4.17Å; I187-M208 HydrophobicContact CB-SD 3.8Å; I187-M208 HydrophobicContact CG2-CB 4.08Å; I187-M208 HydrophobicContact CG2-CG 3.58Å; I187-M208 HydrophobicContact CG2-SD 3.63Å; I187-M208 PolarHBondContact N-SD 2.57Å; M208-G258 VanDerWaalsContact O-CA 3.25Å; M208-G258 WeakPolarHBondContact O-CA 3.44Å; M208-E282 HydrophobicContact CB-CB 4.04Å; M208-E282 PolarHBondContact N-OE1 3.42Å; M208-E282 PolarHBondContact N-OE2 3.4Å; M208-P284 HydrophobicContact CE-CG 4.09Å |
| 209 | T | 98.3 | Very high | 96.1 | Very high | 9 Ų | 9 | 71.2 Ų | 71.2 | 6% | 0.055 | 39% | 0.39 | C | S | . | . | S | Bend | trans | -129 | 142.7 | -171.8 | 71 | 0 | 0 | 0 | 0 | 111.6 | G258 V262 R264 E282 P284 | T209-G258 WeakPolarHBondContact CA-O 3.31Å; T209-V262 VanDerWaalsContact CG2-O 3.29Å; T209-V262 WeakPolarHBondContact CG2-O 3.39Å; T209-R264 PolarHBondContact O-NH2 3.01Å; T209-R264 WeakPolarHBondContact OG1-CG 3.36Å; T209-R264 PolarHBondContact OG1-NE 3.46Å; T209-R264 PolarHBondContact OG1-NH2 3.43Å; T209-E282 WeakPolarHBondContact CA-OE1 3.41Å; T209-E282 VanDerWaalsContact CB-OE1 3.26Å; T209-E282 WeakPolarHBondContact CB-OE1 3.42Å; T209-E282 HydrophobicContact CG2-CB 4.01Å; T209-E282 HydrophobicContact CG2-CG 4.36Å; T209-E282 WeakPolarHBondContact CG2-OE1 3.41Å; T209-E282 PolarHBondContact N-OE1 2.91Å; T209-E282 PolarHBondContact OG1-OE1 3.37Å; T209-P284 HydrophobicContact CG2-CB 4.17Å; T209-P284 HydrophobicContact CG2-CG 4.15Å |
| 210 | K | 97.8 | Very high | 96.2 | Very high | 111 Ų | 111 | 69.8 Ų | 69.8 | 48% | 0.483 | 38% | 0.38 | S | S | . | . | trans | -68 | 153.5 | 169.8 | -69.3 | -165.2 | 176.4 | -172.9 | 0 | 110.7 | P212 G258 G261 R264 | K210-P212 WeakPolarHBondContact O-CD 3.34Å; K210-G258 PolarHBondContact N-O 3Å; K210-G261 WeakPolarHBondContact O-CA 3.21Å; K210-R264 PolarHBondContact O-NH2 3.26Å; K210-R264 VanDerWaalsContact O-NH2 3.15Å | ||
| 211 | N | 97.2 | Very high | 96.4 | Very high | 54 Ų | 54 | 62.4 Ų | 62.4 | 29% | 0.289 | 35% | 0.347 | S | S | . | . | trans | -58.9 | 128.4 | 164.7 | -179.6 | 1.2 | 0 | 0 | 0 | 108.4 | E213 D214 S215 | N211-E213 PolarHBondContact O-N 2.87Å; N211-E213 VanDerWaalsContact O-N 3.15Å; N211-E213 PolarHBondContact OD1-N 3.17Å; N211-D214 HydrophobicContact CB-CB 4.29Å; N211-D214 WeakPolarHBondContact CB-OD2 3.32Å; N211-D214 PolarHBondContact ND2-OD2 3.23Å; N211-D214 CarbonylContact O-C 3.59Å; N211-D214 PolarHBondContact O-N 2.97Å; N211-S215 PolarHBondContact O-N 3.03Å | ||
| 212 | P | 96.8 | Very high | 96.6 | Very high | 37 Ų | 37 | 61.3 Ų | 61.3 | 24% | 0.24 | 34% | 0.338 | C | S | . | . | G | 310 helix | trans | -50.5 | -36 | 177.3 | -32.3 | 37.9 | 0 | 0 | 0 | 113.8 | K210 D214 S215 K354 | K210-P212 WeakPolarHBondContact O-CD 3.34Å; P212-D214 VanDerWaalsContact C-N 3.3Å; P212-D214 PolarHBondContact O-N 2.77Å; P212-S215 PolarHBondContact O-N 3.34Å; P212-S215 PolarHBondContact O-OG 3.39Å; P212-K354 WeakPolarHBondContact O-CD 3.37Å; P212-K354 PolarHBondContact O-NZ 3.44Å |
| 213 | E | 95.6 | Very high | 96.8 | Very high | 157 Ų | 157 | 60.7 Ų | 60.7 | 73% | 0.734 | 33% | 0.332 | S | S | * | . | G | 310 helix | trans | -62.3 | -39.4 | 177.9 | -65.3 | 179.1 | 167 | 0 | 0 | 112 | N211 K354 | N211-E213 PolarHBondContact O-N 2.87Å; N211-E213 VanDerWaalsContact O-N 3.15Å; N211-E213 PolarHBondContact OD1-N 3.17Å; E213-K354 PolarHBondContact O-NZ 2.68Å |
| 214 | D | 96.1 | Very high | 97.1 | Very high | 121 Ų | 121 | 56.3 Ų | 56.3 | 65% | 0.647 | 30% | 0.296 | S | S | * | . | G | 310 helix | trans | -90.7 | -3.1 | -177.7 | -55.4 | -49.6 | 0 | 0 | 0 | 113.6 | N211 P212 | N211-D214 HydrophobicContact CB-CB 4.29Å; N211-D214 WeakPolarHBondContact CB-OD2 3.32Å; N211-D214 PolarHBondContact ND2-OD2 3.23Å; N211-D214 CarbonylContact O-C 3.59Å; N211-D214 PolarHBondContact O-N 2.97Å; P212-D214 VanDerWaalsContact C-N 3.3Å; P212-D214 PolarHBondContact O-N 2.77Å |
| 215 | S | 97.1 | Very high | 97.5 | Very high | 4 Ų | 4 | 53.7 Ų | 53.7 | 3% | 0.028 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -73.2 | 165 | 179.4 | 95.4 | 0 | 0 | 0 | 0 | 111.4 | N211 P212 H260 K354 | N211-S215 PolarHBondContact O-N 3.03Å; P212-S215 PolarHBondContact O-N 3.34Å; P212-S215 PolarHBondContact O-OG 3.39Å; S215-H260 PolarHBondContact OG-O 3.14Å; S215-K354 WeakPolarHBondContact O-CE 3.21Å; S215-K354 PolarHBondContact O-NZ 3.19Å; S215-K354 WeakPolarHBondContact OG-CD 3.41Å |
| 216 | P | 97.9 | Very high | 97.7 | Very high | 37 Ų | 37 | 53.7 Ų | 53.7 | 24% | 0.24 | 28% | 0.28 | C | S | . | . | trans | -53.5 | 144.6 | -178.2 | -26.5 | 34.7 | 0 | 0 | 0 | 114 | V218 K259 K354 | P216-V218 VanDerWaalsContact C-N 3.27Å; P216-V218 PolarHBondContact O-N 2.82Å; P216-K259 WeakPolarHBondContact CD-O 3.41Å; P216-K259 HydrophobicContact CG-CD 4.4Å; P216-K259 HydrophobicContact CG-CG 3.86Å; P216-K354 WeakPolarHBondContact O-CE 3.31Å | ||
| 217 | N | 98 | Very high | 97.8 | Very high | 131 Ų | 131 | 56.7 Ų | 56.7 | 70% | 0.701 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -85.5 | 4.1 | 177.1 | -69.1 | -28.2 | 0 | 0 | 0 | 113.7 | K354 | N217-K354 WeakPolarHBondContact OD1-CE 3.33Å; N217-K354 PolarHBondContact OD1-NZ 3.02Å |
| 218 | V | 97.6 | Very high | 97.9 | Very high | 89 Ų | 89 | 54.9 Ų | 54.9 | 54% | 0.539 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -121.2 | 130.2 | 176.1 | 178.4 | 0 | 0 | 0 | 0 | 107.9 | P216 H260 | P216-V218 VanDerWaalsContact C-N 3.27Å; P216-V218 PolarHBondContact O-N 2.82Å; V218-H260 PolarHBondContact O-CE1 3.44Å |
| 219 | P | 98.1 | Very high | 98 | Very high | 40 Ų | 40 | 52.1 Ų | 52.1 | 26% | 0.26 | 27% | 0.271 | S | S | . | . | trans | -69.6 | 140.4 | 177.2 | 27.7 | -34.5 | 0 | 0 | 0 | 111.6 | K238 S351 V352 F353 | P219-K238 PolarHBondContact O-NZ 3.45Å; P219-K238 VanDerWaalsContact O-NZ 3.11Å; P219-S351 VanDerWaalsContact CB-OG 3.29Å; P219-S351 WeakPolarHBondContact CB-OG 3.26Å; P219-V352 WeakPolarHBondContact CA-O 3.47Å; P219-F353 HydrophobicContact CB-CB 4.07Å; P219-F353 HydrophobicContact CB-CD2 4.06Å; P219-F353 HydrophobicContact CB-CG 4.3Å | ||
| 220 | D | 98.5 | Very high | 98 | Very high | 12 Ų | 12 | 53.4 Ų | 53.4 | 6% | 0.064 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 142.5 | 161.6 | -71.1 | -14.1 | 0 | 0 | 0 | 108.5 | H236 I256 K259 H260 V352 | D220-H236 WeakPolarHBondContact CB-NE2 3.36Å; D220-H236 VanDerWaalsContact CG-NE2 3.29Å; D220-H236 IonicContact OD1-NE2 2.82Å; D220-H236 PolarHBondContact OD1-NE2 3.14Å; D220-I256 HydrophobicContact CB-CG2 4.07Å; D220-K259 IonicContact OD1-NZ 2.72Å; D220-K259 PolarHBondContact OD1-NZ 2.88Å; D220-K259 WeakPolarHBondContact OD2-CE 3.45Å; D220-K259 IonicContact OD2-NZ 3.04Å; D220-K259 PolarHBondContact OD2-NZ 3.35Å; D220-H260 IonicContact OD1-NE2 2.79Å; D220-H260 IonicContact OD2-CD2 3.53Å; D220-H260 IonicContact OD2-NE2 3.43Å; D220-H260 PolarHBondContact OD2-NE2 3.08Å; D220-V352 PolarHBondContact N-O 2.97Å; D220-V352 PolarHBondContact O-N 2.95Å |
| 221 | V | 98.7 | Very high | 98.1 | Very high | 20 Ų | 20 | 48.2 Ų | 48.2 | 12% | 0.121 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 121 | 178.3 | -177.8 | 0 | 0 | 0 | 0 | 108.1 | V237 L350 L360 | V221-V237 HydrophobicContact CB-CB 4.22Å; V221-V237 HydrophobicContact CB-CG2 4.43Å; V221-V237 HydrophobicContact CG1-CB 4.05Å; V221-V237 HydrophobicContact CG1-CG2 3.84Å; V221-V237 PolarHBondContact O-N 3.43Å; V221-L350 CarbonylContact C-O 3.54Å; V221-L350 VanDerWaalsContact CA-O 3.28Å; V221-L350 WeakPolarHBondContact CA-O 3.49Å; V221-L360 HydrophobicContact CG1-CD1 3.81Å; V221-L360 HydrophobicContact CG2-CD1 4.31Å |
| 222 | L | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 141.7 | -179 | -57.3 | -178 | 0 | 0 | 0 | 109.9 | V234 M235 H236 Y252 L253 I256 L288 Q349 L350 V352 | L222-V234 HydrophobicContact CB-CG2 4.47Å; L222-V234 HydrophobicContact CD1-CG2 4.46Å; L222-M235 CarbonylContact C-O 3.56Å; L222-M235 WeakPolarHBondContact CA-O 3.46Å; L222-H236 HydrophobicContact CD2-CB 4.26Å; L222-Y252 HydrophobicContact CD2-CE1 4.34Å; L222-L253 HydrophobicContact CD1-CD2 3.79Å; L222-I256 HydrophobicContact CD1-CB 4.29Å; L222-I256 HydrophobicContact CD1-CG2 3.91Å; L222-I256 HydrophobicContact CD2-CG1 4.33Å; L222-I256 HydrophobicContact CD2-CG2 4.35Å; L222-I256 HydrophobicContact CG-CG2 4.35Å; L222-L288 HydrophobicContact CD1-CD1 4.33Å; L222-Q349 CarbonylContact O-C 3.56Å; L222-Q349 VanDerWaalsContact O-CA 3.26Å; L222-Q349 WeakPolarHBondContact O-CA 3.25Å; L222-L350 PolarHBondContact N-O 3.27Å; L222-L350 PolarHBondContact O-N 3.16Å; L222-V352 HydrophobicContact CD1-CG2 4.06Å; L222-V352 HydrophobicContact CG-CG2 4.31Å |
| 223 | E | 98.9 | Very high | 98.2 | Very high | 23 Ų | 23 | 49 Ų | 49 | 11% | 0.107 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 121.6 | 162.9 | -178.9 | -180 | 86.8 | 0 | 0 | 108 | R233 V234 M235 V237 K347 V348 Q349 | E223-R233 IonicContact OE1-NH2 3.99Å; E223-R233 PolarHBondContact OE1-NH2 3.39Å; E223-R233 VanDerWaalsContact OE1-NH2 3.11Å; E223-V234 CarbonylContact O-C 3.39Å; E223-V234 WeakPolarHBondContact O-CA 3.37Å; E223-M235 PolarHBondContact N-O 2.81Å; E223-M235 PolarHBondContact O-N 3.4Å; E223-V237 HydrophobicContact CB-CG2 4.08Å; E223-K347 VanDerWaalsContact CD-CD 3.49Å; E223-K347 HydrophobicContact CG-CB 4.06Å; E223-K347 HydrophobicContact CG-CD 4.07Å; E223-K347 HydrophobicContact CG-CG 4.49Å; E223-K347 WeakPolarHBondContact OE1-CD 3.44Å; E223-V348 WeakPolarHBondContact CA-O 3.29Å; E223-Q349 HydrophobicContact CB-CG 4.25Å; E223-Q349 HydrophobicContact CG-CG 4.28Å; E223-Q349 PolarHBondContact OE2-NE2 3.34Å |
| 224 | I | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 119.8 | 177.4 | -50.9 | 178.7 | 0 | 0 | 0 | 108.1 | F226 P231 R233 V234 L253 L289 A292 K347 V348 L350 | I224-F226 HydrophobicContact CB-CE2 3.85Å; I224-F226 HydrophobicContact CB-CZ 4.44Å; I224-F226 HydrophobicContact CG2-CD2 4.09Å; I224-F226 HydrophobicContact CG2-CE2 3.4Å; I224-F226 HydrophobicContact CG2-CZ 3.66Å; I224-P231 HydrophobicContact CG2-CB 3.96Å; I224-R233 WeakPolarHBondContact CA-O 3.38Å; I224-V234 HydrophobicContact CG1-CG2 4.18Å; I224-L253 HydrophobicContact CD1-CD1 4.44Å; I224-L253 HydrophobicContact CD1-CD2 3.83Å; I224-L253 HydrophobicContact CG1-CD2 4.45Å; I224-L289 HydrophobicContact CD1-CD2 4.36Å; I224-L289 HydrophobicContact CG2-CD2 4.36Å; I224-A292 HydrophobicContact CD1-CB 3.99Å; I224-K347 CarbonylContact O-C 3.5Å; I224-K347 WeakPolarHBondContact O-CA 3.41Å; I224-V348 PolarHBondContact N-O 3.11Å; I224-V348 PolarHBondContact O-N 3.22Å; I224-L350 HydrophobicContact CD1-CD1 3.8Å |
| 225 | E | 98.9 | Very high | 98.5 | Very high | 59 Ų | 59 | 37.9 Ų | 37.9 | 28% | 0.276 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 131.4 | 176.5 | -171.8 | 172.4 | 173.8 | 0 | 0 | 109.9 | P231 V232 R233 G346 K347 | E225-P231 CarbonylContact O-C 3.55Å; E225-P231 WeakPolarHBondContact O-CA 3.12Å; E225-V232 HydrophobicContact CB-CG2 4.16Å; E225-V232 HydrophobicContact CG-CG2 3.86Å; E225-V232 WeakPolarHBondContact O-CG2 3.34Å; E225-V232 PolarHBondContact O-N 2.94Å; E225-R233 HydrophobicContact CB-CB 3.99Å; E225-R233 PolarHBondContact N-O 3.07Å; E225-R233 PolarHBondContact O-N 3.32Å; E225-R233 IonicContact OE2-CZ 3.51Å; E225-R233 IonicContact OE2-NE 2.79Å; E225-G346 CarbonylContact C-O 3.59Å; E225-G346 WeakPolarHBondContact CA-O 3.38Å; E225-K347 HydrophobicContact CB-CG 4.12Å; E225-K347 HydrophobicContact CG-CG 3.99Å |
| 226 | F | 98.9 | Very high | 98.6 | Very high | 2 Ų | 2 | 37.8 Ų | 37.8 | 1% | 0.009 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 149 | 179.1 | -68 | -97.5 | 0 | 0 | 0 | 111 | I224 V230 P231 L289 A292 H293 I296 E345 G346 | I224-F226 HydrophobicContact CB-CE2 3.85Å; I224-F226 HydrophobicContact CB-CZ 4.44Å; I224-F226 HydrophobicContact CG2-CD2 4.09Å; I224-F226 HydrophobicContact CG2-CE2 3.4Å; I224-F226 HydrophobicContact CG2-CZ 3.66Å; F226-V230 CarbonylContact C-O 3.42Å; F226-V230 VanDerWaalsContact CA-O 3.24Å; F226-V230 WeakPolarHBondContact CA-O 3.19Å; F226-P231 HydrophobicContact CD1-CB 4.26Å; F226-P231 HydrophobicContact CE1-CB 4.02Å; F226-P231 HydrophobicContact CE1-CG 4.49Å; F226-P231 HydrophobicContact CZ-CB 4.44Å; F226-L289 HydrophobicContact CE1-CD2 4.39Å; F226-L289 HydrophobicContact CZ-CD2 4.11Å; F226-A292 HydrophobicContact CE2-CB 3.84Å; F226-A292 HydrophobicContact CZ-CB 3.84Å; F226-H293 HydrophobicContact CE1-CB 4.1Å; F226-H293 AromaticContact CE1-CD2 3.97Å; F226-H293 HydrophobicContact CZ-CB 4.29Å; F226-I296 HydrophobicContact CB-CG2 4.37Å; F226-I296 HydrophobicContact CD1-CG2 4.46Å; F226-I296 HydrophobicContact CD2-CB 4.5Å; F226-I296 HydrophobicContact CD2-CG2 3.94Å; F226-I296 HydrophobicContact CE2-CG2 4.34Å; F226-I296 HydrophobicContact CG-CG2 4.01Å; F226-E345 CarbonylContact O-C 3.57Å; F226-E345 WeakPolarHBondContact O-CA 3.43Å; F226-E345 WeakPolarHBondContact O-CB 3.42Å; F226-G346 PolarHBondContact N-O 2.89Å; F226-G346 PolarHBondContact O-N 2.94Å |
| 227 | K | 98.8 | Very high | 98.5 | Very high | 113 Ų | 113 | 39.2 Ų | 39.2 | 49% | 0.491 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 132.3 | 166.8 | -175.2 | 171.9 | -177.7 | 172.7 | 0 | 108.8 | G229 V230 V232 V344 | K227-G229 PolarHBondContact O-N 3.49Å; K227-V230 PolarHBondContact N-O 2.91Å; K227-V230 WeakPolarHBondContact O-CG2 3.43Å; K227-V230 PolarHBondContact O-N 3.21Å; K227-V232 HydrophobicContact CB-CG1 3.77Å; K227-V232 HydrophobicContact CB-CG2 4.29Å; K227-V344 CarbonylContact C-O 3.53Å |
| 228 | N | 98.6 | Very high | 98.4 | Very high | 76 Ų | 76 | 39.1 Ų | 39.1 | 41% | 0.406 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.2 | 37.8 | -176.4 | -60.2 | -31.8 | 0 | 0 | 0 | 113.6 | Q77 V230 Q341 E342 V344 | Q77-N228 PolarHBondContact NE2-O 3.41Å; N228-V230 PolarHBondContact O-N 3.03Å; N228-Q341 CarbonylContact C-O 3.59Å; N228-Q341 WeakPolarHBondContact CA-O 3.41Å; N228-Q341 WeakPolarHBondContact O-CB 3.44Å; N228-E342 PolarHBondContact OD1-O 2.91Å; N228-V344 PolarHBondContact N-O 2.87Å; N228-V344 VanDerWaalsContact N-O 3.12Å |
| 229 | G | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 74.2 | 2.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | K227 H293 V344 | K227-G229 PolarHBondContact O-N 3.49Å; G229-H293 PolarHBondContact O-CD2 3.25Å; G229-H293 VanDerWaalsContact O-CD2 3.23Å; G229-H293 PolarHBondContact O-NE2 2.76Å; G229-V344 PolarHBondContact N-O 3.17Å |
| 230 | V | 98.6 | Very high | 98 | Very high | 35 Ų | 35 | 41.1 Ų | 41.1 | 21% | 0.212 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 141.9 | 177 | -57.4 | 0 | 0 | 0 | 0 | 111.3 | W73 Q77 F226 K227 N228 V232 | W73-V230 HydrophobicContact CB-CG1 3.85Å; W73-V230 HydrophobicContact CG-CB 4.33Å; W73-V230 HydrophobicContact CG-CG1 4.08Å; Q77-V230 HydrophobicContact CG-CG1 4.13Å; F226-V230 CarbonylContact C-O 3.42Å; F226-V230 VanDerWaalsContact CA-O 3.24Å; F226-V230 WeakPolarHBondContact CA-O 3.19Å; K227-V230 PolarHBondContact N-O 2.91Å; K227-V230 WeakPolarHBondContact O-CG2 3.43Å; K227-V230 PolarHBondContact O-N 3.21Å; N228-V230 PolarHBondContact O-N 3.03Å; V230-V232 HydrophobicContact CG2-CG1 4.43Å; V230-V232 PolarHBondContact O-N 3.48Å |
| 231 | P | 98.7 | Very high | 97.9 | Very high | 3 Ų | 3 | 44.6 Ų | 44.6 | 2% | 0.019 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 128.4 | 176.5 | 31.5 | -34.9 | 0 | 0 | 0 | 110 | W73 I224 E225 F226 I249 L289 | W73-P231 HydrophobicContact CD2-CG 4.34Å; W73-P231 HydrophobicContact CE3-CG 4Å; W73-P231 HydrophobicContact CH2-CG 3.28Å; W73-P231 HydrophobicContact CZ2-CG 3.62Å; W73-P231 HydrophobicContact CZ3-CG 3.5Å; W73-P231 VanDerWaalsContact CZ3-CG 3.5Å; I224-P231 HydrophobicContact CG2-CB 3.96Å; E225-P231 CarbonylContact O-C 3.55Å; E225-P231 WeakPolarHBondContact O-CA 3.12Å; F226-P231 HydrophobicContact CD1-CB 4.26Å; F226-P231 HydrophobicContact CE1-CB 4.02Å; F226-P231 HydrophobicContact CE1-CG 4.49Å; F226-P231 HydrophobicContact CZ-CB 4.44Å; P231-I249 HydrophobicContact CB-CG2 4.18Å; P231-I249 HydrophobicContact CG-CG2 4.32Å; P231-L289 HydrophobicContact CB-CD2 4.1Å; P231-L289 HydrophobicContact CG-CD1 4.44Å; P231-L289 HydrophobicContact CG-CD2 3.98Å |
| 232 | V | 98.8 | Very high | 97.8 | Very high | 52 Ų | 52 | 46 Ų | 46 | 32% | 0.315 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | -17.4 | -179.6 | -64 | 0 | 0 | 0 | 0 | 113 | E225 K227 V230 I249 | E225-V232 HydrophobicContact CB-CG2 4.16Å; E225-V232 HydrophobicContact CG-CG2 3.86Å; E225-V232 WeakPolarHBondContact O-CG2 3.34Å; E225-V232 PolarHBondContact O-N 2.94Å; K227-V232 HydrophobicContact CB-CG1 3.77Å; K227-V232 HydrophobicContact CB-CG2 4.29Å; V230-V232 HydrophobicContact CG2-CG1 4.43Å; V230-V232 PolarHBondContact O-N 3.48Å; V232-I249 VanDerWaalsContact C-CD1 3.48Å |
| 233 | R | 98.8 | Very high | 97.8 | Very high | 55 Ų | 55 | 48.9 Ų | 48.9 | 21% | 0.208 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 143.2 | 172.7 | -168 | 177.6 | 88.3 | 175.5 | 4 | 110.7 | E223 I224 E225 K243 E244 | E223-R233 IonicContact OE1-NH2 3.99Å; E223-R233 PolarHBondContact OE1-NH2 3.39Å; E223-R233 VanDerWaalsContact OE1-NH2 3.11Å; I224-R233 WeakPolarHBondContact CA-O 3.38Å; E225-R233 HydrophobicContact CB-CB 3.99Å; E225-R233 PolarHBondContact N-O 3.07Å; E225-R233 PolarHBondContact O-N 3.32Å; E225-R233 IonicContact OE2-CZ 3.51Å; E225-R233 IonicContact OE2-NE 2.79Å; R233-K243 VanDerWaalsContact CA-O 3.31Å; R233-K243 WeakPolarHBondContact CA-O 3.46Å; R233-E244 HydrophobicContact CB-CG 4.39Å; R233-E244 HydrophobicContact CG-CG 3.89Å |
| 234 | V | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 134.1 | 161.1 | 58.1 | 0 | 0 | 0 | 0 | 109.1 | L222 E223 I224 S242 K243 I249 Y252 L253 | L222-V234 HydrophobicContact CB-CG2 4.47Å; L222-V234 HydrophobicContact CD1-CG2 4.46Å; E223-V234 CarbonylContact O-C 3.39Å; E223-V234 WeakPolarHBondContact O-CA 3.37Å; I224-V234 HydrophobicContact CG1-CG2 4.18Å; V234-S242 CarbonylContact O-C 3.5Å; V234-S242 WeakPolarHBondContact O-CA 3.5Å; V234-K243 HydrophobicContact CG1-CB 3.84Å; V234-K243 HydrophobicContact CG1-CG 4.48Å; V234-K243 PolarHBondContact N-O 3.05Å; V234-K243 PolarHBondContact O-N 2.81Å; V234-I249 HydrophobicContact CB-CG2 4.36Å; V234-I249 HydrophobicContact CG1-CB 4.18Å; V234-I249 HydrophobicContact CG1-CG1 4.1Å; V234-I249 HydrophobicContact CG1-CG2 3.96Å; V234-Y252 HydrophobicContact CG1-CD1 3.78Å; V234-Y252 HydrophobicContact CG2-CD1 4.15Å; V234-Y252 HydrophobicContact CG2-CE1 4.45Å; V234-L253 HydrophobicContact CG2-CD2 3.86Å |
| 235 | M | 98.6 | Very high | 97.7 | Very high | 44 Ų | 44 | 57 Ų | 57 | 22% | 0.217 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 134.8 | 177.8 | -179.2 | -177.2 | -74.2 | 0 | 0 | 110.5 | L222 E223 V237 K241 | L222-M235 CarbonylContact C-O 3.56Å; L222-M235 WeakPolarHBondContact CA-O 3.46Å; E223-M235 PolarHBondContact N-O 2.81Å; E223-M235 PolarHBondContact O-N 3.4Å; M235-V237 PolarHBondContact O-N 3.14Å; M235-K241 CarbonylContact C-O 3.57Å; M235-K241 WeakPolarHBondContact CA-O 3.32Å |
| 236 | H | 98.3 | Very high | 97.7 | Very high | 2 Ų | 2 | 55.8 Ų | 55.8 | 1% | 0.009 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 108.9 | 167.7 | -169.4 | -86.5 | 0 | 0 | 0 | 110.1 | D220 L222 K238 E239 G240 K241 Y252 | D220-H236 WeakPolarHBondContact CB-NE2 3.36Å; D220-H236 VanDerWaalsContact CG-NE2 3.29Å; D220-H236 IonicContact OD1-NE2 2.82Å; D220-H236 PolarHBondContact OD1-NE2 3.14Å; L222-H236 HydrophobicContact CD2-CB 4.26Å; H236-K238 VanDerWaalsContact C-N 3.3Å; H236-K238 PolarHBondContact O-N 3.02Å; H236-E239 HydrophobicContact CB-CB 4.25Å; H236-E239 IonicContact CE1-OE1 2.84Å; H236-E239 WeakPolarHBondContact ND1-CB 3.44Å; H236-E239 VanDerWaalsContact ND1-CG 3.28Å; H236-E239 WeakPolarHBondContact ND1-CG 3.45Å; H236-E239 PolarHBondContact ND1-N 2.58Å; H236-E239 IonicContact ND1-OE1 3.25Å; H236-E239 PolarHBondContact O-N 3.19Å; H236-E239 VanDerWaalsContact O-N 3.13Å; H236-G240 PolarHBondContact O-N 3.19Å; H236-K241 PolarHBondContact N-O 2.79Å; H236-Y252 HydrophobicContact CB-CE1 4.45Å; H236-Y252 VanDerWaalsContact CB-OH 3.3Å; H236-Y252 WeakPolarHBondContact CB-OH 3.48Å |
| 237 | V | 97.4 | Very high | 97.7 | Very high | 67 Ų | 67 | 57.1 Ų | 57.1 | 41% | 0.406 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -38.1 | -166.9 | 177.2 | 0 | 0 | 0 | 0 | 112.5 | V221 E223 M235 | V221-V237 HydrophobicContact CB-CB 4.22Å; V221-V237 HydrophobicContact CB-CG2 4.43Å; V221-V237 HydrophobicContact CG1-CB 4.05Å; V221-V237 HydrophobicContact CG1-CG2 3.84Å; V221-V237 PolarHBondContact O-N 3.43Å; E223-V237 HydrophobicContact CB-CG2 4.08Å; M235-V237 PolarHBondContact O-N 3.14Å |
| 238 | K | 94.6 | Very high | 97.7 | Very high | 129 Ų | 129 | 54.8 Ų | 54.8 | 56% | 0.561 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.2 | -29.6 | -179.7 | -67 | 178.1 | -178.6 | 166 | 0 | 113.9 | P219 H236 | P219-K238 PolarHBondContact O-NZ 3.45Å; P219-K238 VanDerWaalsContact O-NZ 3.11Å; H236-K238 VanDerWaalsContact C-N 3.3Å; H236-K238 PolarHBondContact O-N 3.02Å |
| 239 | E | 94.6 | Very high | 97.7 | Very high | 121 Ų | 121 | 51.1 Ų | 51.1 | 57% | 0.565 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.9 | -18.4 | -173.2 | -70.7 | 175.6 | -165.5 | 0 | 0 | 112.3 | H236 K241 | H236-E239 HydrophobicContact CB-CB 4.25Å; H236-E239 IonicContact CE1-OE1 2.84Å; H236-E239 WeakPolarHBondContact ND1-CB 3.44Å; H236-E239 VanDerWaalsContact ND1-CG 3.28Å; H236-E239 WeakPolarHBondContact ND1-CG 3.45Å; H236-E239 PolarHBondContact ND1-N 2.58Å; H236-E239 IonicContact ND1-OE1 3.25Å; H236-E239 PolarHBondContact O-N 3.19Å; H236-E239 VanDerWaalsContact O-N 3.13Å; E239-K241 HydrophobicContact CB-CB 4.48Å; E239-K241 PolarHBondContact O-N 2.97Å |
| 240 | G | 94 | Very high | 97.7 | Very high | 51 Ų | 51 | 51.1 Ų | 51.1 | 53% | 0.526 | 27% | 0.273 | S | S | . | . | trans | 71.3 | 3.6 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | H236 | H236-G240 PolarHBondContact O-N 3.19Š| ||
| 241 | K | 95.1 | Very high | 97.7 | Very high | 85 Ų | 85 | 51.6 Ų | 51.6 | 37% | 0.37 | 28% | 0.278 | S | S | . | . | trans | -72.6 | 126.6 | 177.1 | -174.2 | -178.5 | 178.2 | -171.9 | 0 | 109.9 | M235 H236 E239 Y252 | M235-K241 CarbonylContact C-O 3.57Å; M235-K241 WeakPolarHBondContact CA-O 3.32Å; H236-K241 PolarHBondContact N-O 2.79Å; E239-K241 HydrophobicContact CB-CB 4.48Å; E239-K241 PolarHBondContact O-N 2.97Å; K241-Y252 HydrophobicContact CD-CE2 4.22Å | ||
| 242 | S | 97.6 | Very high | 97.7 | Very high | 50 Ų | 50 | 51.6 Ų | 51.6 | 35% | 0.35 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 154.2 | 176.3 | 63.4 | 0 | 0 | 0 | 0 | 113.1 | V234 | V234-S242 CarbonylContact O-C 3.5Å; V234-S242 WeakPolarHBondContact O-CA 3.5Å |
| 243 | K | 98.5 | Very high | 97.7 | Very high | 59 Ų | 59 | 49.1 Ų | 49.1 | 26% | 0.257 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 140.4 | 170.9 | -62.9 | -58.2 | -156.3 | 156.8 | 0 | 109.4 | R233 V234 D248 I249 Y252 | R233-K243 VanDerWaalsContact CA-O 3.31Å; R233-K243 WeakPolarHBondContact CA-O 3.46Å; V234-K243 HydrophobicContact CG1-CB 3.84Å; V234-K243 HydrophobicContact CG1-CG 4.48Å; V234-K243 PolarHBondContact N-O 3.05Å; V234-K243 PolarHBondContact O-N 2.81Å; K243-D248 HydrophobicContact CB-CB 3.95Å; K243-D248 HydrophobicContact CD-CB 3.87Å; K243-D248 HydrophobicContact CG-CB 4.12Å; K243-D248 IonicContact NZ-OD1 3.11Å; K243-D248 PolarHBondContact NZ-OD1 3.37Å; K243-I249 HydrophobicContact CB-CG1 4.19Å; K243-I249 WeakPolarHBondContact O-CG1 3.41Å; K243-Y252 HydrophobicContact CG-CD1 4.29Å; K243-Y252 HydrophobicContact CG-CG 4.11Å |
| 244 | E | 98.1 | Very high | 97.7 | Very high | 127 Ų | 127 | 47.4 Ų | 47.4 | 59% | 0.593 | 26% | 0.257 | S | S | * | . | trans | -130 | -17.9 | -172.3 | -68.3 | 179.1 | -173.5 | 0 | 0 | 113.7 | R233 | R233-E244 HydrophobicContact CB-CG 4.39Å; R233-E244 HydrophobicContact CG-CG 3.89Å | ||
| 245 | T | 98.4 | Very high | 97.7 | Very high | 67 Ų | 67 | 52.6 Ų | 52.6 | 41% | 0.411 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -83.1 | 145 | 174.1 | 77.1 | 0 | 0 | 0 | 0 | 110 | L247 D248 I249 | T245-L247 VanDerWaalsContact C-N 3.33Å; T245-L247 PolarHBondContact O-N 2.82Å; T245-D248 PolarHBondContact O-N 3.31Å; T245-D248 VanDerWaalsContact O-N 3.14Å; T245-D248 WeakPolarHBondContact OG1-CB 3.21Å; T245-D248 PolarHBondContact OG1-N 3.35Å; T245-D248 PolarHBondContact OG1-OD2 3.08Å; T245-I249 WeakPolarHBondContact O-CB 3.27Å; T245-I249 WeakPolarHBondContact O-CG1 3.42Å; T245-I249 PolarHBondContact O-N 3.13Å |
| 246 | P | 98.4 | Very high | 97.7 | Very high | 33 Ų | 33 | 50.7 Ų | 50.7 | 21% | 0.214 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -51.7 | -48.1 | -178.2 | -33.2 | 39.4 | 0 | 0 | 0 | 114 | V68 E69 W73 I249 F250 | V68-P246 HydrophobicContact CG1-CB 3.75Å; E69-P246 HydrophobicContact CG-CB 3.72Å; E69-P246 HydrophobicContact CG-CG 3.83Å; W73-P246 HydrophobicContact CZ2-CB 3.95Å; P246-I249 PolarHBondContact O-N 2.57Å; P246-F250 WeakPolarHBondContact O-CB 3.45Å; P246-F250 PolarHBondContact O-N 3.4Å |
| 247 | L | 98.6 | Very high | 97.8 | Very high | 30 Ų | 30 | 50.6 Ų | 50.6 | 16% | 0.157 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -64.3 | -43.8 | 179.1 | 179.4 | 57 | 0 | 0 | 0 | 112.3 | R64 V68 L184 T245 S251 | R64-L247 HydrophobicContact CB-CD1 3.83Å; R64-L247 HydrophobicContact CB-CD2 3.97Å; V68-L247 HydrophobicContact CG2-CD1 4.25Å; L184-L247 HydrophobicContact CD1-CD1 4.33Å; L184-L247 HydrophobicContact CD2-CD1 3.51Å; T245-L247 VanDerWaalsContact C-N 3.33Å; T245-L247 PolarHBondContact O-N 2.82Å; L247-S251 VanDerWaalsContact O-CB 3.23Å; L247-S251 WeakPolarHBondContact O-CB 3.35Å; L247-S251 PolarHBondContact O-N 2.63Å; L247-S251 PolarHBondContact O-OG 2.85Å |
| 248 | D | 98.6 | Very high | 97.8 | Very high | 64 Ų | 64 | 47.8 Ų | 47.8 | 34% | 0.342 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -66.4 | -40.8 | 178.2 | -78.4 | -54.9 | 0 | 0 | 0 | 112.1 | K243 T245 Y252 | K243-D248 HydrophobicContact CB-CB 3.95Å; K243-D248 HydrophobicContact CD-CB 3.87Å; K243-D248 HydrophobicContact CG-CB 4.12Å; K243-D248 IonicContact NZ-OD1 3.11Å; K243-D248 PolarHBondContact NZ-OD1 3.37Å; T245-D248 PolarHBondContact O-N 3.31Å; T245-D248 VanDerWaalsContact O-N 3.14Å; T245-D248 WeakPolarHBondContact OG1-CB 3.21Å; T245-D248 PolarHBondContact OG1-N 3.35Å; T245-D248 PolarHBondContact OG1-OD2 3.08Å; D248-Y252 WeakPolarHBondContact O-CB 3.13Å; D248-Y252 PolarHBondContact O-N 3.34Å |
| 249 | I | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -57.9 | -55.4 | 176.8 | -70.6 | 164.2 | 0 | 0 | 0 | 108.8 | W73 P231 V232 V234 K243 T245 P246 S251 Y252 L253 | W73-I249 HydrophobicContact CH2-CG2 4.48Å; P231-I249 HydrophobicContact CB-CG2 4.18Å; P231-I249 HydrophobicContact CG-CG2 4.32Å; V232-I249 VanDerWaalsContact C-CD1 3.48Å; V234-I249 HydrophobicContact CB-CG2 4.36Å; V234-I249 HydrophobicContact CG1-CB 4.18Å; V234-I249 HydrophobicContact CG1-CG1 4.1Å; V234-I249 HydrophobicContact CG1-CG2 3.96Å; K243-I249 HydrophobicContact CB-CG1 4.19Å; K243-I249 WeakPolarHBondContact O-CG1 3.41Å; T245-I249 WeakPolarHBondContact O-CB 3.27Å; T245-I249 WeakPolarHBondContact O-CG1 3.42Å; T245-I249 PolarHBondContact O-N 3.13Å; P246-I249 PolarHBondContact O-N 2.57Å; I249-S251 PolarHBondContact O-N 3.32Å; I249-Y252 PolarHBondContact O-N 3.07Å; I249-L253 HydrophobicContact CG2-CD1 3.99Å; I249-L253 VanDerWaalsContact O-CG 3.3Å; I249-L253 WeakPolarHBondContact O-CG 3.44Å; I249-L253 PolarHBondContact O-N 3.08Å |
| 250 | F | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -65.4 | -41.4 | -175.3 | -166.1 | -91.9 | 0 | 0 | 0 | 112 | V68 I72 W73 L184 M185 P246 Y252 L253 N254 L289 | V68-F250 HydrophobicContact CG1-CB 4.27Å; V68-F250 HydrophobicContact CG2-CB 4.2Å; V68-F250 HydrophobicContact CG2-CG 4.45Å; I72-F250 HydrophobicContact CD1-CD1 4.14Å; I72-F250 HydrophobicContact CD1-CD2 4.44Å; I72-F250 HydrophobicContact CD1-CE1 3.91Å; I72-F250 HydrophobicContact CD1-CE2 4.24Å; I72-F250 HydrophobicContact CD1-CG 4.41Å; I72-F250 HydrophobicContact CD1-CZ 3.99Å; I72-F250 HydrophobicContact CG2-CD2 3.93Å; I72-F250 HydrophobicContact CG2-CE2 3.64Å; I72-F250 HydrophobicContact CG2-CZ 4.28Å; W73-F250 HydrophobicContact CH2-CB 4.07Å; W73-F250 HydrophobicContact CH2-CD2 4.02Å; W73-F250 HydrophobicContact CH2-CG 4.49Å; W73-F250 AromaticContact CZ3-CD2 3.89Å; W73-F250 HydrophobicContact CZ3-CD2 3.89Å; L184-F250 HydrophobicContact CD2-CD1 3.88Å; L184-F250 HydrophobicContact CG-CD1 3.77Å; L184-F250 HydrophobicContact CG-CE1 4.08Å; L184-F250 WeakPolarHBondContact O-CE1 3.48Å; M185-F250 HydrophobicContact CB-CZ 4.49Å; M185-F250 HydrophobicContact CG-CZ 4.49Å; M185-F250 HydrophobicContact SD-CE1 4.31Å; M185-F250 HydrophobicContact SD-CE2 3.85Å; M185-F250 HydrophobicContact SD-CZ 3.34Å; M185-F250 WeakPolarHBondContact SD-CZ 3.39Å; P246-F250 WeakPolarHBondContact O-CB 3.45Å; P246-F250 PolarHBondContact O-N 3.4Å; F250-Y252 PolarHBondContact O-N 3.29Å; F250-L253 PolarHBondContact O-N 3.27Å; F250-N254 WeakPolarHBondContact CE1-ND2 3.34Å; F250-N254 PolarHBondContact O-N 3.14Å; F250-L289 HydrophobicContact CD2-CD1 3.72Å; F250-L289 HydrophobicContact CE2-CD1 3.84Å |
| 251 | S | 98.7 | Very high | 98.4 | Very high | 44 Ų | 44 | 36.7 Ų | 36.7 | 31% | 0.308 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -63.3 | -39.8 | 176.3 | -57.5 | 0 | 0 | 0 | 0 | 112.3 | L247 I249 N254 E255 | L247-S251 VanDerWaalsContact O-CB 3.23Å; L247-S251 WeakPolarHBondContact O-CB 3.35Å; L247-S251 PolarHBondContact O-N 2.63Å; L247-S251 PolarHBondContact O-OG 2.85Å; I249-S251 PolarHBondContact O-N 3.32Å; S251-N254 WeakPolarHBondContact O-CB 3.16Å; S251-N254 PolarHBondContact O-N 2.9Å; S251-E255 PolarHBondContact O-N 2.98Å |
| 252 | Y | 98.8 | Very high | 98.6 | Very high | 4 Ų | 4 | 32.6 Ų | 32.6 | 2% | 0.016 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -69 | -35.8 | 177.3 | -173.1 | -120.6 | 0 | 0 | 0 | 112.4 | L222 V234 H236 K241 K243 D248 I249 F250 N254 E255 I256 | L222-Y252 HydrophobicContact CD2-CE1 4.34Å; V234-Y252 HydrophobicContact CG1-CD1 3.78Å; V234-Y252 HydrophobicContact CG2-CD1 4.15Å; V234-Y252 HydrophobicContact CG2-CE1 4.45Å; H236-Y252 HydrophobicContact CB-CE1 4.45Å; H236-Y252 VanDerWaalsContact CB-OH 3.3Å; H236-Y252 WeakPolarHBondContact CB-OH 3.48Å; K241-Y252 HydrophobicContact CD-CE2 4.22Å; K243-Y252 HydrophobicContact CG-CD1 4.29Å; K243-Y252 HydrophobicContact CG-CG 4.11Å; D248-Y252 WeakPolarHBondContact O-CB 3.13Å; D248-Y252 PolarHBondContact O-N 3.34Å; I249-Y252 PolarHBondContact O-N 3.07Å; F250-Y252 PolarHBondContact O-N 3.29Å; Y252-N254 VanDerWaalsContact C-N 3.34Å; Y252-E255 WeakPolarHBondContact CD2-OE2 3.01Å; Y252-E255 WeakPolarHBondContact O-CB 3.32Å; Y252-E255 PolarHBondContact O-N 3.45Å; Y252-I256 HydrophobicContact CD1-CG1 4.49Å; Y252-I256 HydrophobicContact CD2-CG1 4.36Å; Y252-I256 HydrophobicContact CE1-CG1 4.12Å; Y252-I256 HydrophobicContact CE2-CD1 3.98Å; Y252-I256 HydrophobicContact CE2-CG1 3.93Å; Y252-I256 WeakPolarHBondContact O-CG1 3.44Å; Y252-I256 PolarHBondContact O-N 2.82Å |
| 253 | L | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -65.2 | -37.6 | 172.3 | -67.9 | 172.3 | 0 | 0 | 0 | 111.8 | L222 I224 V234 I249 F250 G257 L288 L289 | L222-L253 HydrophobicContact CD1-CD2 3.79Å; I224-L253 HydrophobicContact CD1-CD1 4.44Å; I224-L253 HydrophobicContact CD1-CD2 3.83Å; I224-L253 HydrophobicContact CG1-CD2 4.45Å; V234-L253 HydrophobicContact CG2-CD2 3.86Å; I249-L253 HydrophobicContact CG2-CD1 3.99Å; I249-L253 VanDerWaalsContact O-CG 3.3Å; I249-L253 WeakPolarHBondContact O-CG 3.44Å; I249-L253 PolarHBondContact O-N 3.08Å; F250-L253 PolarHBondContact O-N 3.27Å; L253-G257 PolarHBondContact O-N 3.31Å; L253-L288 HydrophobicContact CB-CD1 4.26Å; L253-L288 HydrophobicContact CD2-CB 4.5Å; L253-L288 HydrophobicContact CD2-CD1 4.04Å; L253-L288 WeakPolarHBondContact O-CD1 3.48Å; L253-L289 HydrophobicContact CD1-CD1 3.98Å; L253-L289 HydrophobicContact CD1-CD2 3.55Å; L253-L289 HydrophobicContact CD1-CG 3.63Å |
| 254 | N | 98.8 | Very high | 98.6 | Very high | 19 Ų | 19 | 30.8 Ų | 30.8 | 10% | 0.102 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -62.4 | -44.1 | 170.3 | -80.4 | -21.5 | 0 | 0 | 0 | 112.3 | L184 F250 S251 Y252 G258 P284 G285 | L184-N254 PolarHBondContact O-ND2 3.46Å; F250-N254 WeakPolarHBondContact CE1-ND2 3.34Å; F250-N254 PolarHBondContact O-N 3.14Å; S251-N254 WeakPolarHBondContact O-CB 3.16Å; S251-N254 PolarHBondContact O-N 2.9Å; Y252-N254 VanDerWaalsContact C-N 3.34Å; N254-G258 WeakPolarHBondContact O-CA 3.39Å; N254-G258 PolarHBondContact O-N 3Å; N254-P284 HydrophobicContact CB-CG 4.3Å; N254-P284 WeakPolarHBondContact OD1-CG 3.31Å; N254-G285 VanDerWaalsContact OD1-CA 3.32Å; N254-G285 WeakPolarHBondContact OD1-CA 3.15Å; N254-G285 PolarHBondContact OD1-N 3.15Å |
| 255 | E | 98.6 | Very high | 98.6 | Very high | 109 Ų | 109 | 26.7 Ų | 26.7 | 51% | 0.509 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -57.1 | -52.5 | 177.2 | -175.6 | -168.8 | 151.4 | 0 | 0 | 111.1 | S251 Y252 K259 | S251-E255 PolarHBondContact O-N 2.98Å; Y252-E255 WeakPolarHBondContact CD2-OE2 3.01Å; Y252-E255 WeakPolarHBondContact O-CB 3.32Å; Y252-E255 PolarHBondContact O-N 3.45Å; E255-K259 VanDerWaalsContact O-CB 3.24Å; E255-K259 WeakPolarHBondContact O-CB 3.47Å; E255-K259 PolarHBondContact O-N 3.4Å |
| 256 | I | 98.7 | Very high | 98.7 | Very high | 4 Ų | 4 | 26.3 Ų | 26.3 | 2% | 0.021 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -69.7 | -45.7 | -177.9 | -60.9 | -65.4 | 0 | 0 | 0 | 111.5 | D220 L222 Y252 G258 K259 H260 V352 | D220-I256 HydrophobicContact CB-CG2 4.07Å; L222-I256 HydrophobicContact CD1-CB 4.29Å; L222-I256 HydrophobicContact CD1-CG2 3.91Å; L222-I256 HydrophobicContact CD2-CG1 4.33Å; L222-I256 HydrophobicContact CD2-CG2 4.35Å; L222-I256 HydrophobicContact CG-CG2 4.35Å; Y252-I256 HydrophobicContact CD1-CG1 4.49Å; Y252-I256 HydrophobicContact CD2-CG1 4.36Å; Y252-I256 HydrophobicContact CE1-CG1 4.12Å; Y252-I256 HydrophobicContact CE2-CD1 3.98Å; Y252-I256 HydrophobicContact CE2-CG1 3.93Å; Y252-I256 WeakPolarHBondContact O-CG1 3.44Å; Y252-I256 PolarHBondContact O-N 2.82Å; I256-G258 VanDerWaalsContact C-N 3.33Å; I256-G258 PolarHBondContact O-N 3.1Å; I256-K259 WeakPolarHBondContact O-CB 3.35Å; I256-K259 PolarHBondContact O-N 3.21Å; I256-H260 PolarHBondContact O-CD2 3.42Å; I256-H260 PolarHBondContact O-N 3.36Å; I256-V352 HydrophobicContact CG2-CB 4.3Å; I256-V352 HydrophobicContact CG2-CG1 4.39Å; I256-V352 HydrophobicContact CG2-CG2 4.24Å |
| 257 | G | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -61.1 | -43.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | L253 H260 G261 V262 | L253-G257 PolarHBondContact O-N 3.31Å; G257-H260 CarbonylContact O-C 3.56Å; G257-H260 PolarHBondContact O-N 2.81Å; G257-G261 PolarHBondContact O-N 3.33Å; G257-V262 PolarHBondContact O-N 3.12Å |
| 258 | G | 98.6 | Very high | 98.7 | Very high | 7 Ų | 7 | 27 Ų | 27 | 7% | 0.072 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -62.7 | -45.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | M208 T209 K210 N254 I256 H260 G261 | M208-G258 VanDerWaalsContact O-CA 3.25Å; M208-G258 WeakPolarHBondContact O-CA 3.44Å; T209-G258 WeakPolarHBondContact CA-O 3.31Å; K210-G258 PolarHBondContact N-O 3Å; N254-G258 WeakPolarHBondContact O-CA 3.39Å; N254-G258 PolarHBondContact O-N 3Å; I256-G258 VanDerWaalsContact C-N 3.33Å; I256-G258 PolarHBondContact O-N 3.1Å; G258-H260 PolarHBondContact O-N 2.92Å; G258-G261 PolarHBondContact O-N 3.27Å; G258-G261 VanDerWaalsContact O-N 3.13Å |
| 259 | K | 98.6 | Very high | 98.6 | Very high | 66 Ų | 66 | 24.2 Ų | 24.2 | 29% | 0.287 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -53.3 | -37.1 | 174.2 | 173.4 | -175.1 | 172.1 | -165.4 | 0 | 112.3 | P216 D220 E255 I256 | P216-K259 WeakPolarHBondContact CD-O 3.41Å; P216-K259 HydrophobicContact CG-CD 4.4Å; P216-K259 HydrophobicContact CG-CG 3.86Å; D220-K259 IonicContact OD1-NZ 2.72Å; D220-K259 PolarHBondContact OD1-NZ 2.88Å; D220-K259 WeakPolarHBondContact OD2-CE 3.45Å; D220-K259 IonicContact OD2-NZ 3.04Å; D220-K259 PolarHBondContact OD2-NZ 3.35Å; E255-K259 VanDerWaalsContact O-CB 3.24Å; E255-K259 WeakPolarHBondContact O-CB 3.47Å; E255-K259 PolarHBondContact O-N 3.4Å; I256-K259 WeakPolarHBondContact O-CB 3.35Å; I256-K259 PolarHBondContact O-N 3.21Å |
| 260 | H | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.2 | 2.4 | -178.3 | -75.2 | -76.1 | 0 | 0 | 0 | 115 | S215 V218 D220 I256 G257 G258 V262 V352 G355 | S215-H260 PolarHBondContact OG-O 3.14Å; V218-H260 PolarHBondContact O-CE1 3.44Å; D220-H260 IonicContact OD1-NE2 2.79Å; D220-H260 IonicContact OD2-CD2 3.53Å; D220-H260 IonicContact OD2-NE2 3.43Å; D220-H260 PolarHBondContact OD2-NE2 3.08Å; I256-H260 PolarHBondContact O-CD2 3.42Å; I256-H260 PolarHBondContact O-N 3.36Å; G257-H260 CarbonylContact O-C 3.56Å; G257-H260 PolarHBondContact O-N 2.81Å; G258-H260 PolarHBondContact O-N 2.92Å; H260-V262 HydrophobicContact CB-CG2 4.28Å; H260-V352 HydrophobicContact CB-CG1 3.7Å; H260-V352 PolarHBondContact CE1-O 2.76Å; H260-V352 PolarHBondContact ND1-O 3.31Å; H260-G355 WeakPolarHBondContact O-CA 3.47Å; H260-G355 PolarHBondContact O-N 3.26Å |
| 261 | G | 98.3 | Very high | 98.5 | Very high | 2 Ų | 2 | 28.1 Ų | 28.1 | 2% | 0.021 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 77 | 18.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | K210 G257 G258 G355 | K210-G261 WeakPolarHBondContact O-CA 3.21Å; G257-G261 PolarHBondContact O-N 3.33Å; G258-G261 PolarHBondContact O-N 3.27Å; G258-G261 VanDerWaalsContact O-N 3.13Å; G261-G355 WeakPolarHBondContact O-CA 3.43Å |
| 262 | V | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | 143.2 | -175.6 | 171.4 | 0 | 0 | 0 | 0 | 111.5 | T209 G257 H260 P284 T287 V352 V357 | T209-V262 VanDerWaalsContact CG2-O 3.29Å; T209-V262 WeakPolarHBondContact CG2-O 3.39Å; G257-V262 PolarHBondContact O-N 3.12Å; H260-V262 HydrophobicContact CB-CG2 4.28Å; V262-P284 WeakPolarHBondContact O-CA 3.49Å; V262-T287 HydrophobicContact CG1-CG2 3.65Å; V262-V352 HydrophobicContact CG2-CG1 3.69Å; V262-V357 HydrophobicContact CB-CG2 4.49Å; V262-V357 HydrophobicContact CG1-CG2 3.52Å; V262-V357 HydrophobicContact CG2-CG2 4.1Å |
| 263 | G | 98.4 | Very high | 98.2 | Very high | 9 Ų | 9 | 33.4 Ų | 33.4 | 9% | 0.093 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 93.1 | 18.8 | 166.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | E282 T283 T287 | G263-E282 WeakPolarHBondContact O-CA 3.17Å; G263-T283 PolarHBondContact O-N 3.5Å; G263-T287 WeakPolarHBondContact CA-OG1 3.41Å |
| 264 | R | 98.6 | Very high | 98 | Very high | 61 Ų | 61 | 36.7 Ų | 36.7 | 23% | 0.23 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 128.2 | 169.9 | -65.2 | -178 | 178.6 | -164.2 | -4.5 | 110.9 | Y206 T209 K210 Y281 E282 | Y206-R264 HydrophobicContact CD1-CG 4.04Å; Y206-R264 VanDerWaalsContact CD2-CZ 3.46Å; Y206-R264 HydrophobicContact CE1-CB 4.42Å; Y206-R264 HydrophobicContact CE1-CG 3.97Å; Y206-R264 VanDerWaalsContact CG-NH2 3.32Å; T209-R264 PolarHBondContact O-NH2 3.01Å; T209-R264 WeakPolarHBondContact OG1-CG 3.36Å; T209-R264 PolarHBondContact OG1-NE 3.46Å; T209-R264 PolarHBondContact OG1-NH2 3.43Å; K210-R264 PolarHBondContact O-NH2 3.26Å; K210-R264 VanDerWaalsContact O-NH2 3.15Å; R264-Y281 CarbonylContact C-O 3.6Å; R264-Y281 WeakPolarHBondContact CA-O 3.37Å; R264-E282 HydrophobicContact CG-CG 4.36Å |
| 265 | I | 98.6 | Very high | 97.8 | Very high | 41 Ų | 41 | 39.6 Ų | 39.6 | 21% | 0.21 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 146.2 | 168.4 | 62.1 | 174.2 | 0 | 0 | 0 | 110.5 | R85 I267 I280 Y281 | R85-I265 WeakPolarHBondContact O-CD1 3.47Å; I265-I267 HydrophobicContact CB-CG2 3.95Å; I265-I267 HydrophobicContact CD1-CD1 4.42Å; I265-I267 HydrophobicContact CD1-CG2 3.83Å; I265-I267 HydrophobicContact CG1-CG2 3.98Å; I265-I280 CarbonylContact O-C 3.58Å; I265-I280 WeakPolarHBondContact O-CA 3.48Å; I265-I280 WeakPolarHBondContact O-CG2 3.5Å; I265-Y281 HydrophobicContact CD1-CD2 3.94Å; I265-Y281 HydrophobicContact CD1-CG 4.36Å; I265-Y281 HydrophobicContact CG1-CD2 3.94Å; I265-Y281 HydrophobicContact CG1-CG 4.28Å; I265-Y281 PolarHBondContact N-O 3.44Å; I265-Y281 PolarHBondContact O-N 2.9Å |
| 266 | D | 98.6 | Very high | 97.7 | Very high | 59 Ų | 59 | 41.1 Ų | 41.1 | 32% | 0.316 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 113.2 | 171.9 | -178 | -15.6 | 0 | 0 | 0 | 108.3 | R85 R278 I280 | R85-D266 VanDerWaalsContact CZ-O 3.28Å; R85-D266 PolarHBondContact NH1-O 3.01Å; R85-D266 PolarHBondContact NH2-O 2.91Å; D266-R278 IonicContact OD1-CZ 2.68Å; D266-R278 IonicContact OD1-NE 2.9Å; D266-R278 PolarHBondContact OD1-NE 3.24Å; D266-R278 IonicContact OD1-NH2 3.79Å; D266-R278 IonicContact OD2-CZ 3.49Å; D266-R278 IonicContact OD2-NE 2.75Å; D266-R278 IonicContact OD2-NH2 3.48Å; D266-R278 PolarHBondContact OD2-NH2 3.15Å; D266-I280 HydrophobicContact CB-CD1 4.43Å; D266-I280 HydrophobicContact CB-CG1 4.16Å |
| 267 | I | 98.5 | Very high | 97.6 | Very high | 6 Ų | 6 | 41.7 Ų | 41.7 | 3% | 0.031 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 152.8 | -166.3 | 83.2 | -178.7 | 0 | 0 | 0 | 112 | R85 Y86 I265 E269 R278 G279 Y281 | R85-I267 HydrophobicContact CB-CG2 3.97Å; Y86-I267 HydrophobicContact CG-CD1 4.46Å; I265-I267 HydrophobicContact CB-CG2 3.95Å; I265-I267 HydrophobicContact CD1-CD1 4.42Å; I265-I267 HydrophobicContact CD1-CG2 3.83Å; I265-I267 HydrophobicContact CG1-CG2 3.98Å; I267-E269 HydrophobicContact CD1-CB 4.18Å; I267-E269 HydrophobicContact CG1-CB 4.37Å; I267-R278 CarbonylContact O-C 3.56Å; I267-R278 VanDerWaalsContact O-CA 3.27Å; I267-R278 WeakPolarHBondContact O-CA 3.3Å; I267-R278 WeakPolarHBondContact O-CG 3.5Å; I267-G279 PolarHBondContact N-O 3.03Å; I267-G279 PolarHBondContact O-N 3.16Å; I267-Y281 HydrophobicContact CD1-CD2 4.1Å; I267-Y281 HydrophobicContact CD1-CE2 3.61Å; I267-Y281 HydrophobicContact CG1-CD2 4.28Å; I267-Y281 HydrophobicContact CG1-CE2 3.79Å |
| 268 | V | 98.5 | Very high | 97.6 | Very high | 72 Ų | 72 | 42.7 Ų | 42.7 | 44% | 0.436 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 122.2 | 159.1 | 178.7 | 0 | 0 | 0 | 0 | 107 | P197 K276 S277 R278 | P197-V268 HydrophobicContact CB-CG2 4.43Å; V268-K276 HydrophobicContact CG1-CB 3.99Å; V268-K276 HydrophobicContact CG1-CD 4.16Å; V268-K276 HydrophobicContact CG1-CG 4.38Å; V268-S277 CarbonylContact C-O 3.52Å; V268-S277 WeakPolarHBondContact CA-O 3.4Å; V268-R278 HydrophobicContact CG2-CB 4.3Å |
| 269 | E | 97.6 | Very high | 97.6 | Very high | 6 Ų | 6 | 42.4 Ų | 42.4 | 3% | 0.028 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 158.3 | -177 | 63.7 | -178 | -121.8 | 0 | 0 | 111.6 | E83 I267 K276 S277 Y281 Y321 | E83-E269 WeakPolarHBondContact OE2-CA 3.34Å; I267-E269 HydrophobicContact CD1-CB 4.18Å; I267-E269 HydrophobicContact CG1-CB 4.37Å; E269-K276 VanDerWaalsContact O-CA 3.31Å; E269-K276 WeakPolarHBondContact O-CA 3.31Å; E269-S277 PolarHBondContact N-O 3.18Å; E269-S277 PolarHBondContact O-N 2.82Å; E269-Y281 VanDerWaalsContact CD-OH 3.3Å; E269-Y281 PolarHBondContact OE2-OH 3.27Å; E269-Y321 WeakPolarHBondContact OE1-CE2 3.27Å; E269-Y321 PolarHBondContact OE1-OH 3.45Å |
| 270 | N | 98.1 | Very high | 97.6 | Very high | 50 Ų | 50 | 39.2 Ų | 39.2 | 27% | 0.267 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 112.7 | 173.4 | -65.6 | -76.7 | 0 | 0 | 0 | 110.2 | Y82 E83 K276 Y321 | Y82-N270 PolarHBondContact OH-O 2.95Å; E83-N270 VanDerWaalsContact CD-ND2 3.28Å; E83-N270 WeakPolarHBondContact OE1-CB 3.47Å; E83-N270 PolarHBondContact OE1-ND2 2.84Å; E83-N270 PolarHBondContact OE2-N 2.9Å; E83-N270 PolarHBondContact OE2-ND2 3.12Å; E83-N270 VanDerWaalsContact OE2-ND2 3.14Å; N270-K276 PolarHBondContact ND2-NZ 3Å; N270-K276 PolarHBondContact OD1-NZ 3.44Å; N270-Y321 WeakPolarHBondContact O-CE1 3.36Å; N270-Y321 PolarHBondContact O-OH 3.1Å |
| 271 | R | 97.1 | Very high | 97.6 | Very high | 32 Ų | 32 | 39.6 Ų | 39.6 | 12% | 0.121 | 21% | 0.212 | C | C | . | . | trans | -68.2 | 150.5 | 171.6 | -65.8 | -169.6 | 171.2 | -179.2 | -1 | 110.1 | K120 N122 E190 I273 G274 M275 S277 | K120-R271 PolarHBondContact O-NH1 3.29Å; N122-R271 WeakPolarHBondContact OD1-CB 3.44Å; E190-R271 IonicContact OE1-CZ 2.68Å; E190-R271 IonicContact OE1-NH2 2.78Å; E190-R271 PolarHBondContact OE1-NH2 3.18Å; E190-R271 IonicContact OE2-NH2 2.68Å; E190-R271 PolarHBondContact OE2-NH2 2.68Å; R271-I273 HydrophobicContact CB-CG1 4.21Å; R271-I273 PolarHBondContact O-N 2.93Å; R271-I273 VanDerWaalsContact O-N 3.16Å; R271-G274 PolarHBondContact O-N 3.31Å; R271-M275 VanDerWaalsContact CB-O 3.3Å; R271-M275 WeakPolarHBondContact CB-O 3.4Å; R271-M275 PolarHBondContact N-O 3.16Å; R271-S277 VanDerWaalsContact NE-CB 3.28Å; R271-S277 PolarHBondContact NE-OG 2.84Å; R271-S277 PolarHBondContact NH2-OG 3.24Å; R271-S277 VanDerWaalsContact NH2-OG 3.08Å | ||
| 272 | F | 97.4 | Very high | 97.6 | Very high | 92 Ų | 92 | 39.5 Ų | 39.5 | 40% | 0.404 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -31.2 | -179.1 | -175.9 | -134.9 | 0 | 0 | 0 | 112.3 | N122 I125 G274 N322 F324 | N122-F272 PolarHBondContact OD1-N 3.38Å; I125-F272 HydrophobicContact CD1-CB 4.37Å; I125-F272 HydrophobicContact CD1-CD1 3.7Å; I125-F272 HydrophobicContact CG2-CD1 4.07Å; I125-F272 HydrophobicContact CG2-CE1 4.25Å; F272-G274 PolarHBondContact O-N 2.96Å; F272-N322 WeakPolarHBondContact CB-OD1 3.42Å; F272-N322 HydrophobicContact CD1-CB 4.28Å; F272-N322 HydrophobicContact CD2-CB 3.95Å; F272-N322 WeakPolarHBondContact CD2-OD1 3.39Å; F272-N322 HydrophobicContact CE1-CB 4.47Å; F272-N322 HydrophobicContact CE2-CB 4.16Å; F272-N322 HydrophobicContact CG-CB 4.03Å; F272-N322 WeakPolarHBondContact CG-OD1 3.43Å; F272-N322 HydrophobicContact CZ-CB 4.41Å; F272-F324 HydrophobicContact CE1-CE2 4.08Å; F272-F324 AromaticContact CZ-CE2 3.9Å; F272-F324 HydrophobicContact CZ-CE2 3.9Å; F272-F324 HydrophobicContact CZ-CZ 4.42Å |
| 273 | I | 94.9 | Very high | 97.6 | Very high | 66 Ų | 66 | 39.6 Ų | 39.6 | 34% | 0.338 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | 15.4 | 176.6 | 63.7 | 177.6 | 0 | 0 | 0 | 114.2 | K120 I125 R271 M275 | K120-I273 VanDerWaalsContact O-CD1 3.26Å; K120-I273 WeakPolarHBondContact O-CD1 3.16Å; I125-I273 HydrophobicContact CD1-CG2 3.41Å; I125-I273 VanDerWaalsContact CD1-CG2 3.41Å; R271-I273 HydrophobicContact CB-CG1 4.21Å; R271-I273 PolarHBondContact O-N 2.93Å; R271-I273 VanDerWaalsContact O-N 3.16Å; I273-M275 HydrophobicContact CD1-CE 3.24Å; I273-M275 HydrophobicContact CG1-CE 3.69Å; I273-M275 PolarHBondContact O-N 3.23Å |
| 274 | G | 94.3 | Very high | 97.6 | Very high | 69 Ų | 69 | 39.2 Ų | 39.2 | 71% | 0.711 | 21% | 0.207 | S | C | * | . | S | Bend | trans | 86.4 | 0.6 | 169.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | R271 F272 | R271-G274 PolarHBondContact O-N 3.31Å; F272-G274 PolarHBondContact O-N 2.96Å |
| 275 | M | 94.6 | Very high | 97.6 | Very high | 80 Ų | 80 | 36.3 Ų | 36.3 | 39% | 0.394 | 20% | 0.196 | S | C | . | . | trans | -90.7 | 146.7 | 175.8 | -72.5 | -178.5 | -76.9 | 0 | 0 | 111.6 | K120 R271 I273 | K120-M275 HydrophobicContact CB-CE 3.93Å; K120-M275 HydrophobicContact CG-CE 4.22Å; R271-M275 VanDerWaalsContact CB-O 3.3Å; R271-M275 WeakPolarHBondContact CB-O 3.4Å; R271-M275 PolarHBondContact N-O 3.16Å; I273-M275 HydrophobicContact CD1-CE 3.24Å; I273-M275 HydrophobicContact CG1-CE 3.69Å; I273-M275 PolarHBondContact O-N 3.23Å | ||
| 276 | K | 96.8 | Very high | 97.6 | Very high | 141 Ų | 141 | 34.5 Ų | 34.5 | 61% | 0.613 | 19% | 0.188 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 143.8 | 162.9 | -71.4 | -175 | 179.5 | -63.8 | 0 | 110.2 | V268 E269 N270 | V268-K276 HydrophobicContact CG1-CB 3.99Å; V268-K276 HydrophobicContact CG1-CD 4.16Å; V268-K276 HydrophobicContact CG1-CG 4.38Å; E269-K276 VanDerWaalsContact O-CA 3.31Å; E269-K276 WeakPolarHBondContact O-CA 3.31Å; N270-K276 PolarHBondContact ND2-NZ 3Å; N270-K276 PolarHBondContact OD1-NZ 3.44Å |
| 277 | S | 96.8 | Very high | 97.6 | Very high | 17 Ų | 17 | 33.2 Ų | 33.2 | 12% | 0.119 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 139.6 | 176.8 | -177.8 | 0 | 0 | 0 | 0 | 109.1 | V268 E269 R271 | V268-S277 CarbonylContact C-O 3.52Å; V268-S277 WeakPolarHBondContact CA-O 3.4Å; E269-S277 PolarHBondContact N-O 3.18Å; E269-S277 PolarHBondContact O-N 2.82Å; R271-S277 VanDerWaalsContact NE-CB 3.28Å; R271-S277 PolarHBondContact NE-OG 2.84Å; R271-S277 PolarHBondContact NH2-OG 3.24Å; R271-S277 VanDerWaalsContact NH2-OG 3.08Å |
| 278 | R | 97.8 | Very high | 97.7 | Very high | 20 Ų | 20 | 33 Ų | 33 | 8% | 0.075 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 128.9 | 169.6 | 177.4 | 169.4 | 171.9 | -139.9 | 12 | 109.2 | L194 N196 S199 D266 I267 V268 | L194-R278 WeakPolarHBondContact O-CD 3.39Å; L194-R278 PolarHBondContact O-NH1 3.39Å; L194-R278 VanDerWaalsContact O-NH1 3.11Å; N196-R278 PolarHBondContact O-NH1 2.86Å; S199-R278 PolarHBondContact O-NH1 2.88Å; S199-R278 PolarHBondContact O-NH2 2.94Å; D266-R278 IonicContact OD1-CZ 2.68Å; D266-R278 IonicContact OD1-NE 2.9Å; D266-R278 PolarHBondContact OD1-NE 3.24Å; D266-R278 IonicContact OD1-NH2 3.79Å; D266-R278 IonicContact OD2-CZ 3.49Å; D266-R278 IonicContact OD2-NE 2.75Å; D266-R278 IonicContact OD2-NH2 3.48Å; D266-R278 PolarHBondContact OD2-NH2 3.15Å; I267-R278 CarbonylContact O-C 3.56Å; I267-R278 VanDerWaalsContact O-CA 3.27Å; I267-R278 WeakPolarHBondContact O-CA 3.3Å; I267-R278 WeakPolarHBondContact O-CG 3.5Å; V268-R278 HydrophobicContact CG2-CB 4.3Å |
| 279 | G | 97.8 | Very high | 97.7 | Very high | 1 Ų | 1 | 29.5 Ų | 29.5 | 1% | 0.01 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 142.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | Y189 I267 | Y189-G279 WeakPolarHBondContact O-CA 3.32Å; I267-G279 PolarHBondContact N-O 3.03Å; I267-G279 PolarHBondContact O-N 3.16Å |
| 280 | I | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 134.1 | 171.4 | -54.3 | -172.8 | 0 | 0 | 0 | 107.2 | S188 Y189 L194 A201 L205 Y206 I265 D266 | S188-I280 CarbonylContact C-O 3.6Å; S188-I280 WeakPolarHBondContact CA-O 3.42Å; Y189-I280 HydrophobicContact CD2-CB 4.47Å; Y189-I280 WeakPolarHBondContact CD2-O 3.44Å; Y189-I280 PolarHBondContact N-O 3.35Å; Y189-I280 PolarHBondContact O-N 2.89Å; L194-I280 HydrophobicContact CD1-CD1 4.36Å; L194-I280 HydrophobicContact CD2-CD1 3.87Å; A201-I280 HydrophobicContact CB-CD1 3.66Å; L205-I280 HydrophobicContact CD2-CB 4.21Å; L205-I280 HydrophobicContact CD2-CD1 3.78Å; L205-I280 HydrophobicContact CD2-CG2 3.98Å; Y206-I280 HydrophobicContact CE1-CG2 3.95Å; I265-I280 CarbonylContact O-C 3.58Å; I265-I280 WeakPolarHBondContact O-CA 3.48Å; I265-I280 WeakPolarHBondContact O-CG2 3.5Å; D266-I280 HydrophobicContact CB-CD1 4.43Å; D266-I280 HydrophobicContact CB-CG1 4.16Å |
| 281 | Y | 98.8 | Very high | 97.8 | Very high | 7 Ų | 7 | 33.6 Ų | 33.6 | 3% | 0.027 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 142 | -172.9 | -55.5 | -87.7 | 0 | 0 | 0 | 110.9 | Y86 H186 I187 R264 I265 I267 E269 | Y86-Y281 HydrophobicContact CD2-CD1 4.09Å; Y86-Y281 HydrophobicContact CD2-CD2 4.22Å; Y86-Y281 HydrophobicContact CD2-CE1 4.04Å; Y86-Y281 HydrophobicContact CD2-CE2 4.15Å; Y86-Y281 HydrophobicContact CD2-CG 4.18Å; Y86-Y281 AromaticContact CE2-CD1 3.68Å; Y86-Y281 HydrophobicContact CE2-CD1 3.68Å; Y86-Y281 AromaticContact CE2-CE1 3.53Å; Y86-Y281 HydrophobicContact CE2-CE1 3.53Å; Y86-Y281 HydrophobicContact CE2-CE2 4.46Å; Y86-Y281 HydrophobicContact CE2-CG 4.23Å; Y86-Y281 AromaticContact CE2-CZ 3.94Å; Y86-Y281 AromaticContact CZ-CE1 4Å; H186-Y281 AromaticContact CE1-CD1 3.6Å; H186-Y281 AromaticContact CE1-CE1 3.9Å; H186-Y281 AromaticContact ND1-CD1 3.7Å; I187-Y281 WeakPolarHBondContact O-CA 3.49Å; R264-Y281 CarbonylContact C-O 3.6Å; R264-Y281 WeakPolarHBondContact CA-O 3.37Å; I265-Y281 HydrophobicContact CD1-CD2 3.94Å; I265-Y281 HydrophobicContact CD1-CG 4.36Å; I265-Y281 HydrophobicContact CG1-CD2 3.94Å; I265-Y281 HydrophobicContact CG1-CG 4.28Å; I265-Y281 PolarHBondContact N-O 3.44Å; I265-Y281 PolarHBondContact O-N 2.9Å; I267-Y281 HydrophobicContact CD1-CD2 4.1Å; I267-Y281 HydrophobicContact CD1-CE2 3.61Å; I267-Y281 HydrophobicContact CG1-CD2 4.28Å; I267-Y281 HydrophobicContact CG1-CE2 3.79Å; E269-Y281 VanDerWaalsContact CD-OH 3.3Å; E269-Y281 PolarHBondContact OE2-OH 3.27Å |
| 282 | E | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 111.6 | 167.5 | -57.3 | -178.6 | 94.1 | 0 | 0 | 109.3 | H186 I187 Y189 Y206 L207 M208 T209 G263 R264 | H186-E282 WeakPolarHBondContact CA-O 3.47Å; H186-E282 WeakPolarHBondContact CB-O 3.31Å; I187-E282 HydrophobicContact CG2-CB 3.76Å; I187-E282 HydrophobicContact CG2-CG 4.05Å; I187-E282 WeakPolarHBondContact CG2-OE2 3.5Å; I187-E282 PolarHBondContact N-O 3.39Å; I187-E282 VanDerWaalsContact N-O 3.09Å; I187-E282 PolarHBondContact O-N 2.95Å; Y189-E282 HydrophobicContact CE2-CG 4.12Å; Y189-E282 PolarHBondContact OH-OE2 2.7Å; Y206-E282 WeakPolarHBondContact CA-OE2 3.27Å; Y206-E282 WeakPolarHBondContact CB-OE1 3.4Å; Y206-E282 HydrophobicContact CD1-CG 3.85Å; L207-E282 PolarHBondContact N-OE2 3.37Å; M208-E282 HydrophobicContact CB-CB 4.04Å; M208-E282 PolarHBondContact N-OE1 3.42Å; M208-E282 PolarHBondContact N-OE2 3.4Å; T209-E282 WeakPolarHBondContact CA-OE1 3.41Å; T209-E282 VanDerWaalsContact CB-OE1 3.26Å; T209-E282 WeakPolarHBondContact CB-OE1 3.42Å; T209-E282 HydrophobicContact CG2-CB 4.01Å; T209-E282 HydrophobicContact CG2-CG 4.36Å; T209-E282 WeakPolarHBondContact CG2-OE1 3.41Å; T209-E282 PolarHBondContact N-OE1 2.91Å; T209-E282 PolarHBondContact OG1-OE1 3.37Å; G263-E282 WeakPolarHBondContact O-CA 3.17Å; R264-E282 HydrophobicContact CG-CG 4.36Å |
| 283 | T | 98.9 | Very high | 97.9 | Very high | 2 Ų | 2 | 27.7 Ų | 27.7 | 1% | 0.012 | 15% | 0.152 | C | C | . | . | trans | -128.8 | 66.5 | -177.5 | -45.5 | 0 | 0 | 0 | 0 | 111.1 | L87 M185 H186 G263 T287 | L87-T283 HydrophobicContact CB-CG2 4.01Å; L87-T283 HydrophobicContact CD1-CG2 3.84Å; L87-T283 HydrophobicContact CG-CG2 4.47Å; M185-T283 HydrophobicContact CE-CG2 3.8Å; M185-T283 HydrophobicContact CG-CG2 4.2Å; M185-T283 WeakPolarHBondContact O-CG2 3.38Å; M185-T283 HydrophobicContact SD-CG2 4.28Å; H186-T283 HydrophobicContact CB-CG2 4.11Å; H186-T283 WeakPolarHBondContact CB-OG1 3.3Å; G263-T283 PolarHBondContact O-N 3.5Å; T283-T287 VanDerWaalsContact O-CB 3.27Å; T283-T287 WeakPolarHBondContact O-CB 3.38Å; T283-T287 PolarHBondContact O-N 3.44Å; T283-T287 PolarHBondContact O-OG1 2.98Å | ||
| 284 | P | 98.8 | Very high | 98.1 | Very high | 1 Ų | 1 | 27 Ų | 27 | 1% | 0.006 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -63.2 | -56.6 | -168 | 19.4 | -27.3 | 0 | 0 | 0 | 113.4 | M208 T209 N254 V262 T287 L288 | M208-P284 HydrophobicContact CE-CG 4.09Å; T209-P284 HydrophobicContact CG2-CB 4.17Å; T209-P284 HydrophobicContact CG2-CG 4.15Å; N254-P284 HydrophobicContact CB-CG 4.3Å; N254-P284 WeakPolarHBondContact OD1-CG 3.31Å; V262-P284 WeakPolarHBondContact O-CA 3.49Å; P284-T287 PolarHBondContact O-N 3.43Å; P284-L288 PolarHBondContact O-N 3.36Å; P284-L288 VanDerWaalsContact O-N 3.17Å |
| 285 | G | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -65.4 | -41.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | N254 T287 L288 L289 | N254-G285 VanDerWaalsContact OD1-CA 3.32Å; N254-G285 WeakPolarHBondContact OD1-CA 3.15Å; N254-G285 PolarHBondContact OD1-N 3.15Å; G285-T287 VanDerWaalsContact C-N 3.33Å; G285-T287 PolarHBondContact O-N 3.36Å; G285-L288 PolarHBondContact O-N 2.66Å; G285-L289 WeakPolarHBondContact O-CG 3.3Å; G285-L289 PolarHBondContact O-N 3.13Å |
| 286 | G | 98.8 | Very high | 98.5 | Very high | 4 Ų | 4 | 21.2 Ų | 21.2 | 4% | 0.041 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -61 | -37.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | L289 L290 | G286-L289 PolarHBondContact O-N 3.48Å; G286-L290 WeakPolarHBondContact O-CB 2.99Å; G286-L290 PolarHBondContact O-N 2.86Å |
| 287 | T | 98.9 | Very high | 98.6 | Very high | 32 Ų | 32 | 14.5 Ų | 14.5 | 20% | 0.196 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -66.7 | -42 | 176.9 | -59.9 | 0 | 0 | 0 | 0 | 112 | V262 G263 T283 P284 G285 K291 V357 | V262-T287 HydrophobicContact CG1-CG2 3.65Å; G263-T287 WeakPolarHBondContact CA-OG1 3.41Å; T283-T287 VanDerWaalsContact O-CB 3.27Å; T283-T287 WeakPolarHBondContact O-CB 3.38Å; T283-T287 PolarHBondContact O-N 3.44Å; T283-T287 PolarHBondContact O-OG1 2.98Å; P284-T287 PolarHBondContact O-N 3.43Å; G285-T287 VanDerWaalsContact C-N 3.33Å; G285-T287 PolarHBondContact O-N 3.36Å; T287-K291 PolarHBondContact O-N 2.97Å; T287-V357 HydrophobicContact CG2-CG2 4.44Å |
| 288 | L | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -61.4 | -47.9 | 174.6 | -70 | 171.8 | 0 | 0 | 0 | 111.1 | L222 L253 P284 G285 K291 A292 L350 V352 V357 | L222-L288 HydrophobicContact CD1-CD1 4.33Å; L253-L288 HydrophobicContact CB-CD1 4.26Å; L253-L288 HydrophobicContact CD2-CB 4.5Å; L253-L288 HydrophobicContact CD2-CD1 4.04Å; L253-L288 WeakPolarHBondContact O-CD1 3.48Å; P284-L288 PolarHBondContact O-N 3.36Å; P284-L288 VanDerWaalsContact O-N 3.17Å; G285-L288 PolarHBondContact O-N 2.66Å; L288-K291 PolarHBondContact O-N 2.77Å; L288-A292 PolarHBondContact O-N 2.87Å; L288-L350 HydrophobicContact CB-CD1 4.43Å; L288-L350 HydrophobicContact CD2-CD1 4.2Å; L288-V352 HydrophobicContact CD2-CB 4.44Å; L288-V352 HydrophobicContact CD2-CG1 4.02Å; L288-V352 HydrophobicContact CD2-CG2 3.53Å; L288-V357 HydrophobicContact CD2-CB 4.24Å; L288-V357 HydrophobicContact CD2-CG1 3.73Å; L288-V357 HydrophobicContact CD2-CG2 3.48Å; L288-V357 VanDerWaalsContact CD2-CG2 3.48Å; L288-V357 HydrophobicContact CG-CG2 4.4Å |
| 289 | L | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -65.3 | -39.7 | -179.7 | -74.2 | 176.6 | 0 | 0 | 0 | 112.8 | W73 V76 I224 F226 P231 F250 L253 G285 G286 K291 A292 H293 | W73-L289 HydrophobicContact CH2-CD1 4.16Å; W73-L289 HydrophobicContact CZ3-CD1 3.53Å; V76-L289 HydrophobicContact CG1-CB 4.47Å; V76-L289 HydrophobicContact CG2-CB 4.16Å; V76-L289 HydrophobicContact CG2-CD1 3.98Å; I224-L289 HydrophobicContact CD1-CD2 4.36Å; I224-L289 HydrophobicContact CG2-CD2 4.36Å; F226-L289 HydrophobicContact CE1-CD2 4.39Å; F226-L289 HydrophobicContact CZ-CD2 4.11Å; P231-L289 HydrophobicContact CB-CD2 4.1Å; P231-L289 HydrophobicContact CG-CD1 4.44Å; P231-L289 HydrophobicContact CG-CD2 3.98Å; F250-L289 HydrophobicContact CD2-CD1 3.72Å; F250-L289 HydrophobicContact CE2-CD1 3.84Å; L253-L289 HydrophobicContact CD1-CD1 3.98Å; L253-L289 HydrophobicContact CD1-CD2 3.55Å; L253-L289 HydrophobicContact CD1-CG 3.63Å; G285-L289 WeakPolarHBondContact O-CG 3.3Å; G285-L289 PolarHBondContact O-N 3.13Å; G286-L289 PolarHBondContact O-N 3.48Å; L289-K291 VanDerWaalsContact C-N 3.26Å; L289-K291 PolarHBondContact O-N 2.87Å; L289-A292 PolarHBondContact O-N 3.28Å; L289-H293 WeakPolarHBondContact O-CB 3.01Å; L289-H293 PolarHBondContact O-N 3.33Å |
| 290 | L | 98.8 | Very high | 98.8 | Very high | 36 Ų | 36 | 18.4 Ų | 18.4 | 19% | 0.188 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -57.7 | -42.8 | 176 | 178.6 | 63.6 | 0 | 0 | 0 | 111 | N79 V81 L87 G286 L294 | N79-L290 HydrophobicContact CB-CD1 3.99Å; V81-L290 HydrophobicContact CG2-CD1 4.18Å; V81-L290 HydrophobicContact CG2-CD2 3.79Å; L87-L290 HydrophobicContact CD2-CD2 3.73Å; G286-L290 WeakPolarHBondContact O-CB 2.99Å; G286-L290 PolarHBondContact O-N 2.86Å; L290-L294 HydrophobicContact CD1-CD1 3.9Å; L290-L294 HydrophobicContact CD1-CG 4.16Å; L290-L294 HydrophobicContact CG-CD1 4.01Å; L290-L294 VanDerWaalsContact O-CB 3.3Å; L290-L294 WeakPolarHBondContact O-CB 3.19Å; L290-L294 WeakPolarHBondContact O-CD1 3.46Å; L290-L294 WeakPolarHBondContact O-CG 3.45Å; L290-L294 PolarHBondContact O-N 3.17Å; L290-L294 VanDerWaalsContact O-N 3.1Å |
| 291 | K | 98.8 | Very high | 98.8 | Very high | 106 Ų | 106 | 19.1 Ų | 19.1 | 46% | 0.461 | 10% | 0.099 | S | C | . | . | H | α-helix | trans | -68.5 | -46.5 | 179 | -70.5 | -66.1 | -174.6 | -178 | 0 | 112.5 | T287 L288 L289 D295 V357 | T287-K291 PolarHBondContact O-N 2.97Å; L288-K291 PolarHBondContact O-N 2.77Å; L289-K291 VanDerWaalsContact C-N 3.26Å; L289-K291 PolarHBondContact O-N 2.87Å; K291-D295 PolarHBondContact O-N 3.09Å; K291-V357 HydrophobicContact CB-CG1 4Å; K291-V357 HydrophobicContact CG-CB 4.2Å; K291-V357 HydrophobicContact CG-CG1 4.22Å |
| 292 | A | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -66.7 | -43.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | I224 F226 L288 L289 D295 I296 V348 L350 | I224-A292 HydrophobicContact CD1-CB 3.99Å; F226-A292 HydrophobicContact CE2-CB 3.84Å; F226-A292 HydrophobicContact CZ-CB 3.84Å; L288-A292 PolarHBondContact O-N 2.87Å; L289-A292 PolarHBondContact O-N 3.28Å; A292-D295 WeakPolarHBondContact O-CB 3.22Å; A292-D295 PolarHBondContact O-N 2.95Å; A292-I296 PolarHBondContact O-N 3.29Å; A292-V348 HydrophobicContact CB-CB 4.19Å; A292-V348 HydrophobicContact CB-CG1 4.23Å; A292-L350 HydrophobicContact CB-CD1 3.99Å; A292-L350 HydrophobicContact CB-CD2 4.32Å; A292-L350 HydrophobicContact CB-CG 4.36Å |
| 293 | H | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -66.2 | -43.5 | -177.7 | -175.7 | -92.7 | 0 | 0 | 0 | 111.9 | V76 N79 F226 G229 L289 D295 I296 E297 Q341 | V76-H293 HydrophobicContact CG1-CB 3.85Å; V76-H293 PolarHBondContact O-CE1 3.24Å; V76-H293 PolarHBondContact O-ND1 2.83Å; V76-H293 VanDerWaalsContact O-ND1 3.13Å; N79-H293 PolarHBondContact OD1-ND1 3.3Å; F226-H293 HydrophobicContact CE1-CB 4.1Å; F226-H293 AromaticContact CE1-CD2 3.97Å; F226-H293 HydrophobicContact CZ-CB 4.29Å; G229-H293 PolarHBondContact O-CD2 3.25Å; G229-H293 VanDerWaalsContact O-CD2 3.23Å; G229-H293 PolarHBondContact O-NE2 2.76Å; L289-H293 WeakPolarHBondContact O-CB 3.01Å; L289-H293 PolarHBondContact O-N 3.33Å; H293-D295 PolarHBondContact O-N 3.2Å; H293-I296 WeakPolarHBondContact O-CG2 3.37Å; H293-I296 PolarHBondContact O-N 2.81Å; H293-E297 IonicContact CE1-OE2 3.44Å; H293-E297 PolarHBondContact CE1-OE2 3.49Å; H293-E297 WeakPolarHBondContact O-CB 3.18Å; H293-E297 PolarHBondContact O-N 3.36Å; H293-Q341 PolarHBondContact CE1-OE1 2.97Å; H293-Q341 PolarHBondContact NE2-OE1 3Å |
| 294 | L | 98.6 | Very high | 98.7 | Very high | 51 Ų | 51 | 32.7 Ų | 32.7 | 27% | 0.267 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -56.7 | -36.6 | 173 | -80 | 169.8 | 0 | 0 | 0 | 112.4 | N79 L290 T298 | N79-L294 HydrophobicContact CB-CD2 4.01Å; N79-L294 HydrophobicContact CB-CG 4.47Å; N79-L294 WeakPolarHBondContact ND2-CD2 3.36Å; L290-L294 HydrophobicContact CD1-CD1 3.9Å; L290-L294 HydrophobicContact CD1-CG 4.16Å; L290-L294 HydrophobicContact CG-CD1 4.01Å; L290-L294 VanDerWaalsContact O-CB 3.3Å; L290-L294 WeakPolarHBondContact O-CB 3.19Å; L290-L294 WeakPolarHBondContact O-CD1 3.46Å; L290-L294 WeakPolarHBondContact O-CG 3.45Å; L290-L294 PolarHBondContact O-N 3.17Å; L290-L294 VanDerWaalsContact O-N 3.1Å; L294-T298 WeakPolarHBondContact O-CB 3.24Å; L294-T298 PolarHBondContact O-N 3.13Å; L294-T298 VanDerWaalsContact O-N 3.12Å; L294-T298 PolarHBondContact O-OG1 3.32Å |
| 295 | D | 98.8 | Very high | 98.7 | Very high | 28 Ų | 28 | 35.9 Ų | 35.9 | 15% | 0.15 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -70.7 | -52.5 | -179 | -164.8 | 75.6 | 0 | 0 | 0 | 112 | K291 A292 H293 E297 T298 F299 V348 V359 R362 | K291-D295 PolarHBondContact O-N 3.09Å; A292-D295 WeakPolarHBondContact O-CB 3.22Å; A292-D295 PolarHBondContact O-N 2.95Å; H293-D295 PolarHBondContact O-N 3.2Å; D295-E297 VanDerWaalsContact C-N 3.34Å; D295-E297 PolarHBondContact O-N 2.92Å; D295-T298 PolarHBondContact O-N 2.89Å; D295-F299 PolarHBondContact O-N 3.35Å; D295-F299 VanDerWaalsContact O-N 3.07Å; D295-V348 HydrophobicContact CB-CG1 4.23Å; D295-V348 HydrophobicContact CB-CG2 4.39Å; D295-V359 HydrophobicContact CB-CG1 4.49Å; D295-V359 HydrophobicContact CB-CG2 4.24Å; D295-R362 IonicContact OD1-CZ 3.77Å; D295-R362 IonicContact OD1-NE 3.24Å; D295-R362 IonicContact OD1-NH2 2.85Å; D295-R362 PolarHBondContact OD1-NH2 3.39Å; D295-R362 WeakPolarHBondContact OD2-CB 3.5Å; D295-R362 IonicContact OD2-CZ 3.36Å; D295-R362 IonicContact OD2-NE 3.97Å; D295-R362 PolarHBondContact OD2-NE 2.99Å; D295-R362 IonicContact OD2-NH2 3.67Å; D295-R362 PolarHBondContact OD2-NH2 3.08Å |
| 296 | I | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -66.3 | -36.7 | 179.7 | -163.1 | 62.2 | 0 | 0 | 0 | 112 | F226 A292 H293 F299 T300 V344 V348 | F226-I296 HydrophobicContact CB-CG2 4.37Å; F226-I296 HydrophobicContact CD1-CG2 4.46Å; F226-I296 HydrophobicContact CD2-CB 4.5Å; F226-I296 HydrophobicContact CD2-CG2 3.94Å; F226-I296 HydrophobicContact CE2-CG2 4.34Å; F226-I296 HydrophobicContact CG-CG2 4.01Å; A292-I296 PolarHBondContact O-N 3.29Å; H293-I296 WeakPolarHBondContact O-CG2 3.37Å; H293-I296 PolarHBondContact O-N 2.81Å; I296-F299 HydrophobicContact CD1-CD1 4.45Å; I296-F299 PolarHBondContact O-N 3.44Å; I296-T300 HydrophobicContact CD1-CG2 4.31Å; I296-T300 HydrophobicContact CG1-CG2 4.46Å; I296-T300 WeakPolarHBondContact O-CB 3.49Å; I296-T300 WeakPolarHBondContact O-CG2 3.34Å; I296-T300 PolarHBondContact O-N 3.37Å; I296-T300 VanDerWaalsContact O-N 3.13Å; I296-T300 PolarHBondContact O-OG1 3.29Å; I296-V344 HydrophobicContact CG2-CG1 3.83Å; I296-V348 HydrophobicContact CB-CG2 3.67Å; I296-V348 HydrophobicContact CD1-CG2 4.21Å; I296-V348 HydrophobicContact CG1-CG2 4.37Å |
| 297 | E | 98.4 | Very high | 98.7 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -61.5 | -45.8 | 174.5 | -177.5 | 176.8 | 93.5 | 0 | 0 | 110.5 | N79 H293 D295 F299 T300 M301 K309 Q341 V344 | N79-E297 PolarHBondContact ND2-OE1 2.93Å; N79-E297 PolarHBondContact ND2-OE2 2.94Å; H293-E297 IonicContact CE1-OE2 3.44Å; H293-E297 PolarHBondContact CE1-OE2 3.49Å; H293-E297 WeakPolarHBondContact O-CB 3.18Å; H293-E297 PolarHBondContact O-N 3.36Å; D295-E297 VanDerWaalsContact C-N 3.34Å; D295-E297 PolarHBondContact O-N 2.92Å; E297-F299 PolarHBondContact O-N 3.37Å; E297-T300 PolarHBondContact O-N 3.15Å; E297-M301 HydrophobicContact CG-CB 4.18Å; E297-M301 HydrophobicContact CG-CE 3.5Å; E297-M301 HydrophobicContact CG-SD 3.86Å; E297-M301 WeakPolarHBondContact O-CB 3.22Å; E297-M301 PolarHBondContact O-N 2.9Å; E297-K309 IonicContact OE1-NZ 2.84Å; E297-K309 PolarHBondContact OE1-NZ 3.04Å; E297-K309 WeakPolarHBondContact OE2-CE 3.23Å; E297-K309 IonicContact OE2-NZ 2.95Å; E297-K309 PolarHBondContact OE2-NZ 2.73Å; E297-Q341 PolarHBondContact OE2-NE2 3.11Å; E297-V344 HydrophobicContact CB-CG1 4.29Å; E297-V344 HydrophobicContact CG-CG2 4.43Å |
| 298 | T | 98.3 | Very high | 98.7 | Very high | 76 Ų | 76 | 48.9 Ų | 48.9 | 47% | 0.466 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -65.6 | -29.8 | 179.5 | -55.9 | 0 | 0 | 0 | 0 | 112.2 | L294 D295 R306 | L294-T298 WeakPolarHBondContact O-CB 3.24Å; L294-T298 PolarHBondContact O-N 3.13Å; L294-T298 VanDerWaalsContact O-N 3.12Å; L294-T298 PolarHBondContact O-OG1 3.32Å; D295-T298 PolarHBondContact O-N 2.89Å; T298-R306 PolarHBondContact OG1-NE 3.35Å; T298-R306 PolarHBondContact OG1-NH2 3.44Å |
| 299 | F | 98.6 | Very high | 98.7 | Very high | 38 Ų | 38 | 49.1 Ų | 49.1 | 17% | 0.167 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -77.4 | -25.3 | 179.4 | -168.8 | -116.5 | 0 | 0 | 0 | 114 | D295 I296 E297 R362 S367 L368 Y369 | D295-F299 PolarHBondContact O-N 3.35Å; D295-F299 VanDerWaalsContact O-N 3.07Å; I296-F299 HydrophobicContact CD1-CD1 4.45Å; I296-F299 PolarHBondContact O-N 3.44Å; E297-F299 PolarHBondContact O-N 3.37Å; F299-R362 HydrophobicContact CB-CG 4.18Å; F299-R362 HydrophobicContact CD1-CG 3.92Å; F299-R362 HydrophobicContact CD2-CG 3.85Å; F299-R362 HydrophobicContact CE1-CG 4.22Å; F299-R362 HydrophobicContact CE2-CG 4.16Å; F299-R362 HydrophobicContact CG-CG 3.72Å; F299-R362 HydrophobicContact CZ-CG 4.34Å; F299-S367 VanDerWaalsContact CE1-CB 3.49Å; F299-S367 WeakPolarHBondContact CE1-OG 3.33Å; F299-S367 WeakPolarHBondContact CZ-OG 3.35Å; F299-L368 PolarHBondContact O-N 3.15Å; F299-L368 VanDerWaalsContact O-N 3.11Å; F299-Y369 HydrophobicContact CE2-CD1 4.42Å; F299-Y369 AromaticContact CE2-CG 3.93Å; F299-Y369 HydrophobicContact CE2-CG 3.93Å |
| 300 | T | 98.8 | Very high | 98.6 | Very high | 6 Ų | 6 | 53.1 Ų | 53.1 | 4% | 0.037 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -117.7 | -13.9 | -170.5 | 55.5 | 0 | 0 | 0 | 0 | 114.3 | I296 E297 N343 S364 K366 L368 | I296-T300 HydrophobicContact CD1-CG2 4.31Å; I296-T300 HydrophobicContact CG1-CG2 4.46Å; I296-T300 WeakPolarHBondContact O-CB 3.49Å; I296-T300 WeakPolarHBondContact O-CG2 3.34Å; I296-T300 PolarHBondContact O-N 3.37Å; I296-T300 VanDerWaalsContact O-N 3.13Å; I296-T300 PolarHBondContact O-OG1 3.29Å; E297-T300 PolarHBondContact O-N 3.15Å; T300-N343 WeakPolarHBondContact CB-O 3.42Å; T300-S364 WeakPolarHBondContact CG2-OG 3.44Å; T300-K366 HydrophobicContact CG2-CB 4.45Å; T300-L368 WeakPolarHBondContact O-CD1 3.28Å |
| 301 | M | 98.7 | Very high | 98.6 | Very high | 14 Ų | 14 | 53.3 Ų | 53.3 | 7% | 0.069 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -101 | 137 | -176.3 | -168.3 | 176.9 | -75.7 | 0 | 0 | 111.9 | E297 V305 R306 K309 S340 V344 | E297-M301 HydrophobicContact CG-CB 4.18Å; E297-M301 HydrophobicContact CG-CE 3.5Å; E297-M301 HydrophobicContact CG-SD 3.86Å; E297-M301 WeakPolarHBondContact O-CB 3.22Å; E297-M301 PolarHBondContact O-N 2.9Å; M301-V305 HydrophobicContact CG-CB 4.26Å; M301-V305 HydrophobicContact CG-CG1 4Å; M301-V305 HydrophobicContact SD-CG1 4.12Å; M301-R306 HydrophobicContact CB-CB 4.49Å; M301-R306 HydrophobicContact CG-CB 4.01Å; M301-R306 WeakPolarHBondContact SD-CA 3.43Å; M301-R306 HydrophobicContact SD-CB 3.64Å; M301-R306 HydrophobicContact SD-CG 3.97Å; M301-K309 HydrophobicContact SD-CB 4.43Å; M301-S340 VanDerWaalsContact CE-O 3.3Å; M301-S340 WeakPolarHBondContact CE-O 3.48Å; M301-V344 HydrophobicContact CE-CG2 3.94Å |
| 302 | D | 98.7 | Very high | 98.6 | Very high | 80 Ų | 80 | 50.2 Ų | 50.2 | 43% | 0.428 | 25% | 0.254 | S | S | . | . | trans | -54.7 | 143 | 171.1 | 167.1 | -97.8 | 0 | 0 | 0 | 111.2 | E304 V305 R306 L368 | D302-E304 PolarHBondContact O-N 2.97Å; D302-E304 PolarHBondContact OD1-N 2.94Å; D302-V305 HydrophobicContact CB-CB 4.1Å; D302-V305 HydrophobicContact CB-CG2 3.95Å; D302-V305 PolarHBondContact O-N 2.93Å; D302-V305 PolarHBondContact OD1-N 3.07Å; D302-R306 WeakPolarHBondContact O-CB 3.4Å; D302-R306 PolarHBondContact O-N 2.95Å; D302-L368 HydrophobicContact CB-CD1 4.36Å; D302-L368 VanDerWaalsContact N-CD1 3.29Å | ||
| 303 | K | 98.4 | Very high | 98.6 | Very high | 128 Ų | 128 | 50.4 Ų | 50.4 | 56% | 0.557 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -57.4 | -44.6 | -175 | 176.9 | -173.8 | 169.7 | -171.7 | 0 | 113.1 | R307 | K303-R307 WeakPolarHBondContact O-CG 3.49Å; K303-R307 PolarHBondContact O-N 2.81Å |
| 304 | E | 98.7 | Very high | 98.6 | Very high | 87 Ų | 87 | 56.1 Ų | 56.1 | 41% | 0.407 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -83.9 | -33.5 | -174.8 | -57.7 | -54.3 | 140.2 | 0 | 0 | 111.2 | D302 R306 R307 I308 | D302-E304 PolarHBondContact O-N 2.97Å; D302-E304 PolarHBondContact OD1-N 2.94Å; E304-R306 VanDerWaalsContact C-N 3.31Å; E304-R306 PolarHBondContact O-N 3.2Å; E304-R307 VanDerWaalsContact CD-NH1 3.28Å; E304-R307 PolarHBondContact O-N 3.13Å; E304-R307 IonicContact OE1-CZ 3.31Å; E304-R307 IonicContact OE1-NH1 2.76Å; E304-R307 PolarHBondContact OE1-NH1 2.9Å; E304-R307 WeakPolarHBondContact OE2-CD 3.46Å; E304-R307 IonicContact OE2-CZ 3.56Å; E304-R307 IonicContact OE2-NE 2.69Å; E304-R307 IonicContact OE2-NH1 2.86Å; E304-R307 PolarHBondContact OE2-NH1 3.06Å; E304-I308 PolarHBondContact O-N 2.77Å; E304-I308 VanDerWaalsContact O-N 3.16Å |
| 305 | V | 98.7 | Very high | 98.7 | Very high | 67 Ų | 67 | 57.5 Ų | 57.5 | 41% | 0.406 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -56.4 | -47.1 | 167.6 | 174.6 | 0 | 0 | 0 | 0 | 110.4 | M301 D302 R307 I308 K309 | M301-V305 HydrophobicContact CG-CB 4.26Å; M301-V305 HydrophobicContact CG-CG1 4Å; M301-V305 HydrophobicContact SD-CG1 4.12Å; D302-V305 HydrophobicContact CB-CB 4.1Å; D302-V305 HydrophobicContact CB-CG2 3.95Å; D302-V305 PolarHBondContact O-N 2.93Å; D302-V305 PolarHBondContact OD1-N 3.07Å; V305-R307 VanDerWaalsContact C-N 3.33Å; V305-R307 PolarHBondContact O-N 2.94Å; V305-I308 PolarHBondContact O-N 2.86Å; V305-K309 WeakPolarHBondContact O-CB 3.5Å; V305-K309 PolarHBondContact O-N 3.1Å |
| 306 | R | 98.5 | Very high | 98.7 | Very high | 48 Ų | 48 | 56.2 Ų | 56.2 | 18% | 0.181 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -58.8 | -42.3 | 178.7 | -169.4 | -176.5 | 175.8 | -66.6 | -1.9 | 112.3 | T298 M301 D302 E304 K309 Q310 | T298-R306 PolarHBondContact OG1-NE 3.35Å; T298-R306 PolarHBondContact OG1-NH2 3.44Å; M301-R306 HydrophobicContact CB-CB 4.49Å; M301-R306 HydrophobicContact CG-CB 4.01Å; M301-R306 WeakPolarHBondContact SD-CA 3.43Å; M301-R306 HydrophobicContact SD-CB 3.64Å; M301-R306 HydrophobicContact SD-CG 3.97Å; D302-R306 WeakPolarHBondContact O-CB 3.4Å; D302-R306 PolarHBondContact O-N 2.95Å; E304-R306 VanDerWaalsContact C-N 3.31Å; E304-R306 PolarHBondContact O-N 3.2Å; R306-K309 PolarHBondContact O-N 3.03Å; R306-Q310 VanDerWaalsContact NH1-OE1 3.16Å; R306-Q310 VanDerWaalsContact O-CG 3.31Å; R306-Q310 WeakPolarHBondContact O-CG 3.48Å; R306-Q310 PolarHBondContact O-N 3.32Å |
| 307 | R | 98.4 | Very high | 98.7 | Very high | 140 Ų | 140 | 56.3 Ų | 56.3 | 53% | 0.528 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -62.3 | -42.9 | 177.7 | -75.6 | 168.3 | 169.3 | -175.2 | -4.3 | 112.5 | K303 E304 V305 | K303-R307 WeakPolarHBondContact O-CG 3.49Å; K303-R307 PolarHBondContact O-N 2.81Å; E304-R307 VanDerWaalsContact CD-NH1 3.28Å; E304-R307 PolarHBondContact O-N 3.13Å; E304-R307 IonicContact OE1-CZ 3.31Å; E304-R307 IonicContact OE1-NH1 2.76Å; E304-R307 PolarHBondContact OE1-NH1 2.9Å; E304-R307 WeakPolarHBondContact OE2-CD 3.46Å; E304-R307 IonicContact OE2-CZ 3.56Å; E304-R307 IonicContact OE2-NE 2.69Å; E304-R307 IonicContact OE2-NH1 2.86Å; E304-R307 PolarHBondContact OE2-NH1 3.06Å; V305-R307 VanDerWaalsContact C-N 3.33Å; V305-R307 PolarHBondContact O-N 2.94Å |
| 308 | I | 98.8 | Very high | 98.7 | Very high | 122 Ų | 122 | 59.9 Ų | 59.9 | 63% | 0.626 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -65.3 | -47.6 | 175.7 | -65 | 167.1 | 0 | 0 | 0 | 109.9 | E304 V305 Q310 G311 L312 | E304-I308 PolarHBondContact O-N 2.77Å; E304-I308 VanDerWaalsContact O-N 3.16Å; V305-I308 PolarHBondContact O-N 2.86Å; I308-Q310 VanDerWaalsContact C-N 3.29Å; I308-Q310 PolarHBondContact O-N 2.92Å; I308-G311 PolarHBondContact O-N 2.97Å; I308-G311 VanDerWaalsContact O-N 3.07Å; I308-L312 PolarHBondContact O-N 2.9Å |
| 309 | K | 98.7 | Very high | 98.7 | Very high | 4 Ų | 4 | 56.6 Ų | 56.6 | 2% | 0.017 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -60.6 | -36.2 | -179.6 | -175.7 | -91.8 | 176.4 | 169.7 | 0 | 112.6 | Q77 A78 N79 E297 M301 V305 R306 G311 L312 G313 S340 | Q77-K309 WeakPolarHBondContact O-CE 3.45Å; Q77-K309 PolarHBondContact O-NZ 3.33Å; A78-K309 PolarHBondContact O-NZ 3.12Å; N79-K309 PolarHBondContact ND2-NZ 3.11Å; N79-K309 VanDerWaalsContact ND2-NZ 3.15Å; E297-K309 IonicContact OE1-NZ 2.84Å; E297-K309 PolarHBondContact OE1-NZ 3.04Å; E297-K309 WeakPolarHBondContact OE2-CE 3.23Å; E297-K309 IonicContact OE2-NZ 2.95Å; E297-K309 PolarHBondContact OE2-NZ 2.73Å; M301-K309 HydrophobicContact SD-CB 4.43Å; V305-K309 WeakPolarHBondContact O-CB 3.5Å; V305-K309 PolarHBondContact O-N 3.1Å; R306-K309 PolarHBondContact O-N 3.03Å; K309-G311 VanDerWaalsContact C-N 3.3Å; K309-G311 PolarHBondContact O-N 3.4Å; K309-L312 CarbonylContact O-C 3.6Å; K309-L312 WeakPolarHBondContact O-CA 3.17Å; K309-L312 WeakPolarHBondContact O-CB 3.09Å; K309-L312 PolarHBondContact O-N 3Å; K309-L312 VanDerWaalsContact O-N 3.1Å; K309-G313 PolarHBondContact O-N 3.46Å; K309-S340 WeakPolarHBondContact CG-OG 3.12Å |
| 310 | Q | 98.5 | Very high | 98.7 | Very high | 84 Ų | 84 | 54.9 Ų | 54.9 | 39% | 0.393 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -59.7 | -40.2 | 174.7 | -78.3 | -177.6 | -56.2 | 0 | 0 | 112.2 | R306 I308 L312 G313 I314 | R306-Q310 VanDerWaalsContact NH1-OE1 3.16Å; R306-Q310 VanDerWaalsContact O-CG 3.31Å; R306-Q310 WeakPolarHBondContact O-CG 3.48Å; R306-Q310 PolarHBondContact O-N 3.32Å; I308-Q310 VanDerWaalsContact C-N 3.29Å; I308-Q310 PolarHBondContact O-N 2.92Å; Q310-L312 VanDerWaalsContact C-N 3.31Å; Q310-L312 PolarHBondContact O-N 2.57Å; Q310-G313 PolarHBondContact O-N 2.77Å; Q310-I314 WeakPolarHBondContact O-CG1 3.34Å; Q310-I314 PolarHBondContact O-N 3.26Å |
| 311 | G | 98.8 | Very high | 98.7 | Very high | 41 Ų | 41 | 54.6 Ų | 54.6 | 42% | 0.423 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -61 | -39.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | I308 K309 I314 K315 | I308-G311 PolarHBondContact O-N 2.97Å; I308-G311 VanDerWaalsContact O-N 3.07Å; K309-G311 VanDerWaalsContact C-N 3.3Å; K309-G311 PolarHBondContact O-N 3.4Å; G311-I314 PolarHBondContact O-N 2.91Å; G311-K315 PolarHBondContact O-N 3.31Å; G311-K315 VanDerWaalsContact O-N 3.11Å |
| 312 | L | 98.8 | Very high | 98.7 | Very high | 40 Ų | 40 | 54.6 Ų | 54.6 | 21% | 0.209 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -65.4 | -39.4 | 173.7 | -62.7 | 173.9 | 0 | 0 | 0 | 112.2 | I308 K309 Q310 K315 F316 V333 C336 I337 | I308-L312 PolarHBondContact O-N 2.9Å; K309-L312 CarbonylContact O-C 3.6Å; K309-L312 WeakPolarHBondContact O-CA 3.17Å; K309-L312 WeakPolarHBondContact O-CB 3.09Å; K309-L312 PolarHBondContact O-N 3Å; K309-L312 VanDerWaalsContact O-N 3.1Å; Q310-L312 VanDerWaalsContact C-N 3.31Å; Q310-L312 PolarHBondContact O-N 2.57Å; L312-K315 PolarHBondContact O-N 2.88Å; L312-F316 WeakPolarHBondContact O-CB 3.48Å; L312-F316 PolarHBondContact O-N 3.14Å; L312-V333 HydrophobicContact CB-CG1 4.37Å; L312-V333 HydrophobicContact CD2-CG2 4.4Å; L312-V333 WeakPolarHBondContact O-CG1 3.35Å; L312-C336 HydrophobicContact CD1-CB 3.57Å; L312-I337 HydrophobicContact CB-CD1 4.37Å; L312-I337 HydrophobicContact CB-CG1 4.1Å |
| 313 | G | 98.8 | Very high | 98.7 | Very high | 4 Ų | 4 | 51 Ų | 51 | 4% | 0.041 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -61.1 | -43.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | K309 Q310 K315 F316 S317 | K309-G313 PolarHBondContact O-N 3.46Å; Q310-G313 PolarHBondContact O-N 2.77Å; G313-K315 PolarHBondContact O-N 2.8Å; G313-F316 WeakPolarHBondContact O-CB 3.32Å; G313-F316 PolarHBondContact O-N 3.27Å; G313-S317 PolarHBondContact O-N 3.3Å; G313-S317 PolarHBondContact O-OG 3.39Å |
| 314 | I | 98.8 | Very high | 98.8 | Very high | 120 Ų | 120 | 47.8 Ų | 47.8 | 62% | 0.615 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -59.6 | -48.1 | 173.9 | -66.7 | 165.3 | 0 | 0 | 0 | 110.2 | Q310 G311 F316 S317 E318 | Q310-I314 WeakPolarHBondContact O-CG1 3.34Å; Q310-I314 PolarHBondContact O-N 3.26Å; G311-I314 PolarHBondContact O-N 2.91Å; I314-F316 VanDerWaalsContact C-N 3.34Å; I314-F316 PolarHBondContact O-N 3.11Å; I314-S317 PolarHBondContact O-N 3.13Å; I314-E318 PolarHBondContact O-N 3.44Å; I314-E318 VanDerWaalsContact O-N 3.12Å |
| 315 | K | 98.9 | Very high | 98.8 | Very high | 81 Ų | 81 | 44.2 Ų | 44.2 | 35% | 0.352 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -65.4 | -38.7 | 180 | -171.5 | 56.5 | 178.8 | 178 | 0 | 112.1 | G311 L312 G313 E318 L319 V333 | G311-K315 PolarHBondContact O-N 3.31Å; G311-K315 VanDerWaalsContact O-N 3.11Å; L312-K315 PolarHBondContact O-N 2.88Å; G313-K315 PolarHBondContact O-N 2.8Å; K315-E318 WeakPolarHBondContact CD-OE2 3.41Å; K315-E318 IonicContact NZ-OE1 3.37Å; K315-E318 PolarHBondContact NZ-OE1 3.46Å; K315-E318 IonicContact NZ-OE2 2.7Å; K315-E318 PolarHBondContact NZ-OE2 2.99Å; K315-E318 PolarHBondContact O-N 2.85Å; K315-L319 HydrophobicContact CD-CG 4.4Å; K315-L319 HydrophobicContact CG-CD1 4.04Å; K315-L319 HydrophobicContact CG-CG 4.4Å; K315-L319 VanDerWaalsContact O-CG 3.27Å; K315-L319 WeakPolarHBondContact O-CG 3.22Å; K315-L319 PolarHBondContact O-N 3.02Å; K315-V333 HydrophobicContact CG-CG2 4.41Å |
| 316 | F | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -56.8 | -49.6 | 173.3 | 177.4 | -95.9 | 0 | 0 | 0 | 110.9 | A78 A80 L312 G313 I314 E318 L319 V320 W325 V333 R334 I337 | A78-F316 HydrophobicContact CB-CB 4.35Å; A78-F316 HydrophobicContact CB-CD1 3.43Å; A78-F316 VanDerWaalsContact CB-CD1 3.43Å; A78-F316 HydrophobicContact CB-CE1 3.82Å; A78-F316 HydrophobicContact CB-CG 3.91Å; A80-F316 HydrophobicContact CB-CD1 3.73Å; A80-F316 HydrophobicContact CB-CE1 3.77Å; L312-F316 WeakPolarHBondContact O-CB 3.48Å; L312-F316 PolarHBondContact O-N 3.14Å; G313-F316 WeakPolarHBondContact O-CB 3.32Å; G313-F316 PolarHBondContact O-N 3.27Å; I314-F316 VanDerWaalsContact C-N 3.34Å; I314-F316 PolarHBondContact O-N 3.11Å; F316-E318 VanDerWaalsContact C-N 3.34Å; F316-E318 PolarHBondContact O-N 2.87Å; F316-L319 PolarHBondContact O-N 2.68Å; F316-V320 HydrophobicContact CD1-CG2 4.12Å; F316-V320 HydrophobicContact CD2-CG2 4.22Å; F316-V320 HydrophobicContact CE1-CG2 3.75Å; F316-V320 HydrophobicContact CE2-CG2 3.84Å; F316-V320 HydrophobicContact CG-CG2 4.35Å; F316-V320 HydrophobicContact CZ-CG2 3.62Å; F316-V320 WeakPolarHBondContact O-CB 3.3Å; F316-V320 VanDerWaalsContact O-CG2 3.29Å; F316-V320 WeakPolarHBondContact O-CG2 3.42Å; F316-V320 PolarHBondContact O-N 3.24Å; F316-W325 HydrophobicContact CE2-CZ3 4.22Å; F316-W325 HydrophobicContact CZ-CH2 4.23Å; F316-W325 AromaticContact CZ-CZ3 3.76Å; F316-W325 HydrophobicContact CZ-CZ3 3.76Å; F316-V333 HydrophobicContact CB-CG1 3.71Å; F316-V333 HydrophobicContact CD2-CG1 4.28Å; F316-V333 HydrophobicContact CG-CG1 4.49Å; F316-R334 HydrophobicContact CD2-CG 3.95Å; F316-R334 HydrophobicContact CE2-CG 3.53Å; F316-I337 HydrophobicContact CB-CD1 3.94Å; F316-I337 HydrophobicContact CD2-CD1 4.39Å; F316-I337 HydrophobicContact CG-CD1 4.22Å |
| 317 | S | 98.9 | Very high | 98.8 | Very high | 2 Ų | 2 | 41.5 Ų | 41.5 | 1% | 0.014 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -59.5 | -41.7 | 179.4 | -64.5 | 0 | 0 | 0 | 0 | 113.3 | A80 V81 G313 I314 Y321 | A80-S317 WeakPolarHBondContact CA-OG 3.42Å; A80-S317 WeakPolarHBondContact CB-OG 3.37Å; V81-S317 PolarHBondContact N-OG 2.72Å; V81-S317 PolarHBondContact O-OG 2.94Å; G313-S317 PolarHBondContact O-N 3.3Å; G313-S317 PolarHBondContact O-OG 3.39Å; I314-S317 PolarHBondContact O-N 3.13Å; S317-Y321 VanDerWaalsContact O-CB 3.31Å; S317-Y321 WeakPolarHBondContact O-CB 3.49Å; S317-Y321 PolarHBondContact O-N 3.26Å |
| 318 | E | 98.8 | Very high | 98.8 | Very high | 76 Ų | 76 | 39.6 Ų | 39.6 | 36% | 0.355 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -61.8 | -50.2 | 175 | -172.6 | -156 | 137.5 | 0 | 0 | 111.6 | I314 K315 F316 V320 Y321 N322 | I314-E318 PolarHBondContact O-N 3.44Å; I314-E318 VanDerWaalsContact O-N 3.12Å; K315-E318 WeakPolarHBondContact CD-OE2 3.41Å; K315-E318 IonicContact NZ-OE1 3.37Å; K315-E318 PolarHBondContact NZ-OE1 3.46Å; K315-E318 IonicContact NZ-OE2 2.7Å; K315-E318 PolarHBondContact NZ-OE2 2.99Å; K315-E318 PolarHBondContact O-N 2.85Å; F316-E318 VanDerWaalsContact C-N 3.34Å; F316-E318 PolarHBondContact O-N 2.87Å; E318-V320 PolarHBondContact O-N 2.92Å; E318-Y321 PolarHBondContact O-N 3.46Å; E318-N322 WeakPolarHBondContact O-CB 3.33Å; E318-N322 VanDerWaalsContact O-CG 3.25Å; E318-N322 PolarHBondContact O-N 3.29Å; E318-N322 PolarHBondContact O-ND2 2.77Å |
| 319 | L | 98.9 | Very high | 98.8 | Very high | 6 Ų | 6 | 37.7 Ų | 37.7 | 3% | 0.031 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -61.3 | -44.9 | -178.9 | -70.4 | 170 | 0 | 0 | 0 | 111.6 | K315 F316 N322 G323 F324 E329 C330 V333 | K315-L319 HydrophobicContact CD-CG 4.4Å; K315-L319 HydrophobicContact CG-CD1 4.04Å; K315-L319 HydrophobicContact CG-CG 4.4Å; K315-L319 VanDerWaalsContact O-CG 3.27Å; K315-L319 WeakPolarHBondContact O-CG 3.22Å; K315-L319 PolarHBondContact O-N 3.02Å; F316-L319 PolarHBondContact O-N 2.68Å; L319-N322 PolarHBondContact O-N 3.31Å; L319-G323 PolarHBondContact O-N 3.07Å; L319-G323 VanDerWaalsContact O-N 3.12Å; L319-F324 HydrophobicContact CB-CB 4.26Å; L319-F324 HydrophobicContact CD2-CB 3.98Å; L319-F324 HydrophobicContact CD2-CG 4.49Å; L319-F324 PolarHBondContact O-N 3.12Å; L319-E329 HydrophobicContact CD1-CB 4.43Å; L319-E329 HydrophobicContact CD1-CG 3.87Å; L319-E329 HydrophobicContact CD2-CG 3.6Å; L319-E329 HydrophobicContact CG-CG 4.41Å; L319-C330 HydrophobicContact CB-CB 4.33Å; L319-C330 HydrophobicContact CD1-CB 3.96Å; L319-V333 HydrophobicContact CD1-CG2 4.41Å |
| 320 | V | 98.8 | Very high | 98.8 | Very high | 2 Ų | 2 | 37.5 Ų | 37.5 | 1% | 0.012 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63.2 | -48.1 | 177.1 | 170.9 | 0 | 0 | 0 | 0 | 111.1 | L88 A91 I92 F316 E318 N322 G323 W325 | L88-V320 HydrophobicContact CB-CG1 4.35Å; L88-V320 HydrophobicContact CD1-CB 4.21Å; L88-V320 HydrophobicContact CD1-CG1 4.02Å; L88-V320 HydrophobicContact CD2-CG1 4.43Å; A91-V320 HydrophobicContact CB-CG1 4.05Å; I92-V320 HydrophobicContact CG2-CG1 3.43Å; I92-V320 VanDerWaalsContact CG2-CG1 3.43Å; F316-V320 HydrophobicContact CD1-CG2 4.12Å; F316-V320 HydrophobicContact CD2-CG2 4.22Å; F316-V320 HydrophobicContact CE1-CG2 3.75Å; F316-V320 HydrophobicContact CE2-CG2 3.84Å; F316-V320 HydrophobicContact CG-CG2 4.35Å; F316-V320 HydrophobicContact CZ-CG2 3.62Å; F316-V320 WeakPolarHBondContact O-CB 3.3Å; F316-V320 VanDerWaalsContact O-CG2 3.29Å; F316-V320 WeakPolarHBondContact O-CG2 3.42Å; F316-V320 PolarHBondContact O-N 3.24Å; E318-V320 PolarHBondContact O-N 2.92Å; V320-N322 PolarHBondContact O-N 3.44Å; V320-G323 PolarHBondContact O-N 3.25Å; V320-G323 VanDerWaalsContact O-N 3.11Å; V320-W325 HydrophobicContact CG2-CE3 3.77Å; V320-W325 HydrophobicContact CG2-CZ3 4.03Å |
| 321 | Y | 98.8 | Very high | 98.8 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -57 | -41.7 | 178.8 | -173.9 | -94.1 | 0 | 0 | 0 | 111.7 | Y82 Y86 L88 N122 R126 E269 N270 S317 E318 G323 | Y82-Y321 HydrophobicContact CD1-CD1 4.36Å; Y82-Y321 AromaticContact CD1-CD2 3.52Å; Y82-Y321 HydrophobicContact CD1-CD2 3.52Å; Y82-Y321 HydrophobicContact CD1-CE1 4.45Å; Y82-Y321 AromaticContact CD1-CE2 3.63Å; Y82-Y321 HydrophobicContact CD1-CE2 3.63Å; Y82-Y321 AromaticContact CD1-CG 3.91Å; Y82-Y321 HydrophobicContact CD1-CG 3.91Å; Y82-Y321 HydrophobicContact CD2-CD1 4.23Å; Y82-Y321 HydrophobicContact CD2-CD2 4.12Å; Y82-Y321 AromaticContact CD2-CG 3.75Å; Y82-Y321 HydrophobicContact CD2-CG 3.75Å; Y82-Y321 AromaticContact CE1-CD1 3.79Å; Y82-Y321 HydrophobicContact CE1-CD1 3.79Å; Y82-Y321 AromaticContact CE1-CD2 3.71Å; Y82-Y321 HydrophobicContact CE1-CD2 3.71Å; Y82-Y321 AromaticContact CE1-CE1 3.65Å; Y82-Y321 HydrophobicContact CE1-CE1 3.65Å; Y82-Y321 AromaticContact CE1-CE2 3.56Å; Y82-Y321 HydrophobicContact CE1-CE2 3.56Å; Y82-Y321 AromaticContact CE1-CG 3.82Å; Y82-Y321 HydrophobicContact CE1-CG 3.82Å; Y82-Y321 AromaticContact CE1-CZ 3.52Å; Y82-Y321 AromaticContact CE2-CD1 3.67Å; Y82-Y321 HydrophobicContact CE2-CD1 3.67Å; Y82-Y321 HydrophobicContact CE2-CD2 4.31Å; Y82-Y321 HydrophobicContact CE2-CE1 4.29Å; Y82-Y321 AromaticContact CE2-CG 3.67Å; Y82-Y321 HydrophobicContact CE2-CG 3.67Å; Y82-Y321 AromaticContact CG-CD2 3.73Å; Y82-Y321 HydrophobicContact CG-CD2 3.73Å; Y82-Y321 HydrophobicContact CG-CE2 4.32Å; Y82-Y321 AromaticContact CG-CG 3.86Å; Y82-Y321 HydrophobicContact CG-CG 3.86Å; Y82-Y321 AromaticContact CZ-CD1 3.4Å; Y82-Y321 VanDerWaalsContact CZ-CD1 3.4Å; Y82-Y321 AromaticContact CZ-CE1 3.55Å; Y82-Y321 AromaticContact CZ-CG 3.7Å; Y82-Y321 AromaticContact CZ-CZ 3.96Å; Y82-Y321 WeakPolarHBondContact OH-CE1 3.4Å; Y86-Y321 AromaticContact CD1-CD2 3.9Å; Y86-Y321 HydrophobicContact CD1-CD2 3.9Å; Y86-Y321 AromaticContact CD1-CE2 3.91Å; Y86-Y321 HydrophobicContact CD1-CE2 3.91Å; Y86-Y321 AromaticContact CE1-CD2 3.88Å; Y86-Y321 HydrophobicContact CE1-CD2 3.88Å; Y86-Y321 AromaticContact CE1-CE2 3.91Å; Y86-Y321 HydrophobicContact CE1-CE2 3.91Å; L88-Y321 HydrophobicContact CD2-CD2 3.88Å; L88-Y321 HydrophobicContact CD2-CG 4.33Å; N122-Y321 WeakPolarHBondContact ND2-CE1 3.21Å; N122-Y321 PolarHBondContact ND2-OH 2.66Å; R126-Y321 PolarHBondContact NE-O 3.17Å; R126-Y321 PolarHBondContact NH2-O 3.35Å; E269-Y321 WeakPolarHBondContact OE1-CE2 3.27Å; E269-Y321 PolarHBondContact OE1-OH 3.45Å; N270-Y321 WeakPolarHBondContact O-CE1 3.36Å; N270-Y321 PolarHBondContact O-OH 3.1Å; S317-Y321 VanDerWaalsContact O-CB 3.31Å; S317-Y321 WeakPolarHBondContact O-CB 3.49Å; S317-Y321 PolarHBondContact O-N 3.26Å; E318-Y321 PolarHBondContact O-N 3.46Å; Y321-G323 VanDerWaalsContact C-N 3.31Å; Y321-G323 PolarHBondContact O-N 2.89Å |
| 322 | N | 98.8 | Very high | 98.8 | Very high | 15 Ų | 15 | 42 Ų | 42 | 8% | 0.08 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -79.7 | -5.6 | -178.2 | -67.7 | -15 | 0 | 0 | 0 | 114.1 | I125 F272 E318 L319 V320 F324 | I125-N322 VanDerWaalsContact CG2-O 3.32Å; I125-N322 WeakPolarHBondContact CG2-O 3.21Å; F272-N322 WeakPolarHBondContact CB-OD1 3.42Å; F272-N322 HydrophobicContact CD1-CB 4.28Å; F272-N322 HydrophobicContact CD2-CB 3.95Å; F272-N322 WeakPolarHBondContact CD2-OD1 3.39Å; F272-N322 HydrophobicContact CE1-CB 4.47Å; F272-N322 HydrophobicContact CE2-CB 4.16Å; F272-N322 HydrophobicContact CG-CB 4.03Å; F272-N322 WeakPolarHBondContact CG-OD1 3.43Å; F272-N322 HydrophobicContact CZ-CB 4.41Å; E318-N322 WeakPolarHBondContact O-CB 3.33Å; E318-N322 VanDerWaalsContact O-CG 3.25Å; E318-N322 PolarHBondContact O-N 3.29Å; E318-N322 PolarHBondContact O-ND2 2.77Å; L319-N322 PolarHBondContact O-N 3.31Å; V320-N322 PolarHBondContact O-N 3.44Å; N322-F324 HydrophobicContact CB-CD2 3.66Å; N322-F324 HydrophobicContact CB-CE2 3.92Å |
| 323 | G | 98.7 | Very high | 98.8 | Very high | 5 Ų | 5 | 40.5 Ų | 40.5 | 5% | 0.052 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 91.6 | 11.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | L319 V320 Y321 W325 | L319-G323 PolarHBondContact O-N 3.07Å; L319-G323 VanDerWaalsContact O-N 3.12Å; V320-G323 PolarHBondContact O-N 3.25Å; V320-G323 VanDerWaalsContact O-N 3.11Å; Y321-G323 VanDerWaalsContact C-N 3.31Å; Y321-G323 PolarHBondContact O-N 2.89Å; G323-W325 VanDerWaalsContact C-N 3.25Å; G323-W325 PolarHBondContact O-N 3.36Å |
| 324 | F | 98.9 | Very high | 98.8 | Very high | 60 Ų | 60 | 42.2 Ų | 42.2 | 26% | 0.263 | 21% | 0.207 | S | C | . | . | trans | -88.9 | 35.9 | -178.9 | -68.8 | -82.3 | 0 | 0 | 0 | 112.8 | L129 F272 L319 N322 Y326 S327 C330 | L129-F324 HydrophobicContact CD1-CD1 4.01Å; L129-F324 HydrophobicContact CD1-CD2 4.2Å; L129-F324 HydrophobicContact CD1-CE1 3.74Å; L129-F324 HydrophobicContact CD1-CE2 3.95Å; L129-F324 HydrophobicContact CD1-CG 4.23Å; L129-F324 HydrophobicContact CD1-CZ 3.71Å; F272-F324 HydrophobicContact CE1-CE2 4.08Å; F272-F324 AromaticContact CZ-CE2 3.9Å; F272-F324 HydrophobicContact CZ-CE2 3.9Å; F272-F324 HydrophobicContact CZ-CZ 4.42Å; L319-F324 HydrophobicContact CB-CB 4.26Å; L319-F324 HydrophobicContact CD2-CB 3.98Å; L319-F324 HydrophobicContact CD2-CG 4.49Å; L319-F324 PolarHBondContact O-N 3.12Å; N322-F324 HydrophobicContact CB-CD2 3.66Å; N322-F324 HydrophobicContact CB-CE2 3.92Å; F324-Y326 PolarHBondContact O-N 3.33Å; F324-S327 WeakPolarHBondContact O-CB 3.48Å; F324-S327 PolarHBondContact O-N 3.43Å; F324-S327 PolarHBondContact O-OG 2.87Å; F324-C330 WeakPolarHBondContact O-CB 3.17Å | ||
| 325 | W | 98.9 | Very high | 98.8 | Very high | 12 Ų | 12 | 43.2 Ų | 43.2 | 5% | 0.045 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -47.2 | 178.4 | -178.6 | -81.9 | 0 | 0 | 0 | 111.9 | D70 F71 P74 I92 P95 F316 V320 G323 S327 R334 | D70-W325 WeakPolarHBondContact O-CZ2 3.38Å; F71-W325 HydrophobicContact CB-CH2 4.22Å; F71-W325 AromaticContact CD1-CD2 3.99Å; F71-W325 HydrophobicContact CD1-CD2 3.99Å; F71-W325 AromaticContact CD1-CE2 3.57Å; F71-W325 HydrophobicContact CD1-CE3 4.23Å; F71-W325 AromaticContact CD1-CH2 3.83Å; F71-W325 HydrophobicContact CD1-CH2 3.83Å; F71-W325 AromaticContact CD1-CZ2 3.52Å; F71-W325 HydrophobicContact CD1-CZ2 3.52Å; F71-W325 HydrophobicContact CD1-CZ3 4.16Å; F71-W325 HydrophobicContact CE1-CD2 4.11Å; F71-W325 AromaticContact CE1-CE2 3.6Å; F71-W325 HydrophobicContact CE1-CG 4.45Å; F71-W325 AromaticContact CE1-CZ2 3.92Å; F71-W325 HydrophobicContact CE1-CZ2 3.92Å; F71-W325 AromaticContact CE1-NE1 3.56Å; F71-W325 HydrophobicContact CG-CH2 4.35Å; F71-W325 HydrophobicContact CG-CZ2 4.21Å; P74-W325 HydrophobicContact CB-CH2 4.12Å; P74-W325 HydrophobicContact CG-CH2 4.37Å; I92-W325 HydrophobicContact CG2-CZ3 4.25Å; P95-W325 HydrophobicContact CB-CB 3.61Å; P95-W325 HydrophobicContact CB-CD2 4.34Å; P95-W325 HydrophobicContact CB-CG 3.65Å; P95-W325 HydrophobicContact CG-CB 3.78Å; P95-W325 HydrophobicContact CG-CD2 3.99Å; P95-W325 HydrophobicContact CG-CE3 4.24Å; P95-W325 HydrophobicContact CG-CG 3.77Å; F316-W325 HydrophobicContact CE2-CZ3 4.22Å; F316-W325 HydrophobicContact CZ-CH2 4.23Å; F316-W325 AromaticContact CZ-CZ3 3.76Å; F316-W325 HydrophobicContact CZ-CZ3 3.76Å; V320-W325 HydrophobicContact CG2-CE3 3.77Å; V320-W325 HydrophobicContact CG2-CZ3 4.03Å; G323-W325 VanDerWaalsContact C-N 3.25Å; G323-W325 PolarHBondContact O-N 3.36Å; W325-S327 VanDerWaalsContact C-N 3.29Å; W325-S327 PolarHBondContact O-N 2.99Å; W325-R334 VanDerWaalsContact O-CZ 3.28Å; W325-R334 PolarHBondContact O-NH1 3.22Å; W325-R334 PolarHBondContact O-NH2 3.39Å |
| 326 | Y | 98.8 | Very high | 98.8 | Very high | 49 Ų | 49 | 41 Ų | 41 | 19% | 0.192 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | 40.2 | 179.1 | -64.3 | -76.9 | 0 | 0 | 0 | 112.5 | P95 R99 T130 L134 F324 | P95-Y326 HydrophobicContact CB-CD2 4.18Å; P95-Y326 HydrophobicContact CB-CE2 3.64Å; R99-Y326 HydrophobicContact CB-CE2 4.49Å; R99-Y326 WeakPolarHBondContact CB-OH 3.34Å; R99-Y326 WeakPolarHBondContact CD-OH 3.13Å; T130-Y326 HydrophobicContact CG2-CD2 3.45Å; T130-Y326 VanDerWaalsContact CG2-CD2 3.45Å; T130-Y326 HydrophobicContact CG2-CE2 3.44Å; T130-Y326 VanDerWaalsContact CG2-CE2 3.44Å; L134-Y326 HydrophobicContact CD1-CD1 4.49Å; L134-Y326 HydrophobicContact CD1-CD2 4.12Å; L134-Y326 HydrophobicContact CD1-CE1 4.3Å; L134-Y326 HydrophobicContact CD1-CE2 3.89Å; L134-Y326 HydrophobicContact CD1-CG 4.41Å; L134-Y326 HydrophobicContact CD2-CD1 3.78Å; L134-Y326 HydrophobicContact CD2-CE1 4.08Å; L134-Y326 HydrophobicContact CD2-CG 4.04Å; L134-Y326 HydrophobicContact CG-CD1 4.36Å; L134-Y326 HydrophobicContact CG-CD2 4.28Å; L134-Y326 HydrophobicContact CG-CG 4.19Å; F324-Y326 PolarHBondContact O-N 3.33Å |
| 327 | S | 98.9 | Very high | 98.8 | Very high | 8 Ų | 8 | 41.2 Ų | 41.2 | 6% | 0.056 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -101.5 | 151.6 | 174.1 | 68.1 | 0 | 0 | 0 | 0 | 110.7 | F324 W325 E329 C330 D331 | F324-S327 WeakPolarHBondContact O-CB 3.48Å; F324-S327 PolarHBondContact O-N 3.43Å; F324-S327 PolarHBondContact O-OG 2.87Å; W325-S327 VanDerWaalsContact C-N 3.29Å; W325-S327 PolarHBondContact O-N 2.99Å; S327-E329 VanDerWaalsContact C-N 3.25Å; S327-E329 VanDerWaalsContact CB-CD 3.42Å; S327-E329 WeakPolarHBondContact CB-OE1 3.43Å; S327-E329 WeakPolarHBondContact CB-OE2 3.33Å; S327-E329 PolarHBondContact O-N 3.43Å; S327-E329 VanDerWaalsContact OG-CD 3.24Å; S327-E329 WeakPolarHBondContact OG-CG 3.03Å; S327-E329 PolarHBondContact OG-OE1 3.05Å; S327-C330 PolarHBondContact O-N 3.41Å; S327-C330 VanDerWaalsContact O-N 3.1Å; S327-C330 WeakPolarHBondContact OG-CB 3.45Å; S327-C330 PolarHBondContact OG-N 3.18Å; S327-D331 PolarHBondContact O-N 3.31Å |
| 328 | P | 98.9 | Very high | 98.8 | Very high | 101 Ų | 101 | 43.2 Ų | 43.2 | 66% | 0.656 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -60.4 | -34.8 | 178.8 | 23.2 | -32.3 | 0 | 0 | 0 | 112.7 | D331 F332 | P328-D331 PolarHBondContact O-N 2.71Å; P328-F332 WeakPolarHBondContact O-CB 3.39Å; P328-F332 PolarHBondContact O-N 3.33Å |
| 329 | E | 98.8 | Very high | 98.8 | Very high | 81 Ų | 81 | 45.4 Ų | 45.4 | 38% | 0.379 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -68.1 | -35.5 | 175.9 | 62.7 | -84.6 | -159.3 | 0 | 0 | 112.6 | L319 S327 V333 | L319-E329 HydrophobicContact CD1-CB 4.43Å; L319-E329 HydrophobicContact CD1-CG 3.87Å; L319-E329 HydrophobicContact CD2-CG 3.6Å; L319-E329 HydrophobicContact CG-CG 4.41Å; S327-E329 VanDerWaalsContact C-N 3.25Å; S327-E329 VanDerWaalsContact CB-CD 3.42Å; S327-E329 WeakPolarHBondContact CB-OE1 3.43Å; S327-E329 WeakPolarHBondContact CB-OE2 3.33Å; S327-E329 PolarHBondContact O-N 3.43Å; S327-E329 VanDerWaalsContact OG-CD 3.24Å; S327-E329 WeakPolarHBondContact OG-CG 3.03Å; S327-E329 PolarHBondContact OG-OE1 3.05Å; E329-V333 WeakPolarHBondContact O-CB 3.42Å; E329-V333 WeakPolarHBondContact O-CG2 3.48Å; E329-V333 PolarHBondContact O-N 2.93Å |
| 330 | C | 98.8 | Very high | 98.8 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -75.7 | -34.6 | 176.4 | -157.9 | 0 | 0 | 0 | 0 | 111.6 | L319 F324 S327 V333 R334 | L319-C330 HydrophobicContact CB-CB 4.33Å; L319-C330 HydrophobicContact CD1-CB 3.96Å; F324-C330 WeakPolarHBondContact O-CB 3.17Å; S327-C330 PolarHBondContact O-N 3.41Å; S327-C330 VanDerWaalsContact O-N 3.1Å; S327-C330 WeakPolarHBondContact OG-CB 3.45Å; S327-C330 PolarHBondContact OG-N 3.18Å; C330-V333 PolarHBondContact O-N 3.28Å; C330-R334 WeakPolarHBondContact O-CB 3.38Å; C330-R334 WeakPolarHBondContact O-CG 3.36Å; C330-R334 PolarHBondContact O-N 3.14Å; C330-R334 PolarHBondContact SG-NH1 2.91Å |
| 331 | D | 98.8 | Very high | 98.8 | Very high | 85 Ų | 85 | 46.1 Ų | 46.1 | 46% | 0.455 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -59.2 | -48.8 | 169.4 | -77.1 | -31.7 | 0 | 0 | 0 | 111.5 | S327 P328 V333 R334 H335 | S327-D331 PolarHBondContact O-N 3.31Å; P328-D331 PolarHBondContact O-N 2.71Å; D331-V333 PolarHBondContact O-N 3Å; D331-R334 PolarHBondContact O-N 3.21Å; D331-R334 IonicContact OD1-CZ 2.68Å; D331-R334 IonicContact OD1-NH2 3.24Å; D331-R334 PolarHBondContact OD1-NH2 2.67Å; D331-H335 WeakPolarHBondContact O-CB 3.47Å; D331-H335 PolarHBondContact O-N 3.32Å |
| 332 | F | 98.9 | Very high | 98.8 | Very high | 136 Ų | 136 | 50.9 Ų | 50.9 | 60% | 0.596 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -59.9 | -45.9 | 176.9 | 174.7 | -100 | 0 | 0 | 0 | 112 | P328 H335 C336 | P328-F332 WeakPolarHBondContact O-CB 3.39Å; P328-F332 PolarHBondContact O-N 3.33Å; F332-H335 PolarHBondContact O-N 2.9Å; F332-C336 VanDerWaalsContact CZ-SG 3.56Å; F332-C336 PolarHBondContact O-N 3.05Å; F332-C336 PolarHBondContact O-SG 2.73Å |
| 333 | V | 98.9 | Very high | 98.8 | Very high | 8 Ų | 8 | 54.2 Ų | 54.2 | 5% | 0.048 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63.5 | -46.6 | 178.3 | 167.8 | 0 | 0 | 0 | 0 | 111.1 | L312 K315 F316 L319 E329 C330 D331 H335 C336 I337 | L312-V333 HydrophobicContact CB-CG1 4.37Å; L312-V333 HydrophobicContact CD2-CG2 4.4Å; L312-V333 WeakPolarHBondContact O-CG1 3.35Å; K315-V333 HydrophobicContact CG-CG2 4.41Å; F316-V333 HydrophobicContact CB-CG1 3.71Å; F316-V333 HydrophobicContact CD2-CG1 4.28Å; F316-V333 HydrophobicContact CG-CG1 4.49Å; L319-V333 HydrophobicContact CD1-CG2 4.41Å; E329-V333 WeakPolarHBondContact O-CB 3.42Å; E329-V333 WeakPolarHBondContact O-CG2 3.48Å; E329-V333 PolarHBondContact O-N 2.93Å; C330-V333 PolarHBondContact O-N 3.28Å; D331-V333 PolarHBondContact O-N 3Å; V333-H335 VanDerWaalsContact C-N 3.31Å; V333-H335 PolarHBondContact O-N 2.95Å; V333-C336 PolarHBondContact O-N 2.88Å; V333-I337 HydrophobicContact CG1-CD1 3.67Å; V333-I337 HydrophobicContact CG1-CG1 4.39Å; V333-I337 WeakPolarHBondContact O-CB 3.31Å; V333-I337 VanDerWaalsContact O-CG1 3.3Å; V333-I337 WeakPolarHBondContact O-CG1 3.34Å; V333-I337 PolarHBondContact O-N 3.05Å |
| 334 | R | 98.8 | Very high | 98.8 | Very high | 40 Ų | 40 | 54 Ų | 54 | 15% | 0.151 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -59.5 | -41.3 | 175.8 | -80.2 | -166.2 | -63.4 | -91.5 | 2.3 | 112.1 | F316 W325 C330 D331 I337 A338 | F316-R334 HydrophobicContact CD2-CG 3.95Å; F316-R334 HydrophobicContact CE2-CG 3.53Å; W325-R334 VanDerWaalsContact O-CZ 3.28Å; W325-R334 PolarHBondContact O-NH1 3.22Å; W325-R334 PolarHBondContact O-NH2 3.39Å; C330-R334 WeakPolarHBondContact O-CB 3.38Å; C330-R334 WeakPolarHBondContact O-CG 3.36Å; C330-R334 PolarHBondContact O-N 3.14Å; C330-R334 PolarHBondContact SG-NH1 2.91Å; D331-R334 PolarHBondContact O-N 3.21Å; D331-R334 IonicContact OD1-CZ 2.68Å; D331-R334 IonicContact OD1-NH2 3.24Å; D331-R334 PolarHBondContact OD1-NH2 2.67Å; R334-I337 PolarHBondContact O-N 3.47Å; R334-A338 WeakPolarHBondContact O-CB 3.31Å; R334-A338 PolarHBondContact O-N 3.49Å |
| 335 | H | 98.8 | Very high | 98.8 | Very high | 140 Ų | 140 | 53.1 Ų | 53.1 | 65% | 0.648 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -62.8 | -46.7 | 177.4 | -175.6 | 84.2 | 0 | 0 | 0 | 111.9 | D331 F332 V333 I337 A338 K339 | D331-H335 WeakPolarHBondContact O-CB 3.47Å; D331-H335 PolarHBondContact O-N 3.32Å; F332-H335 PolarHBondContact O-N 2.9Å; V333-H335 VanDerWaalsContact C-N 3.31Å; V333-H335 PolarHBondContact O-N 2.95Å; H335-I337 VanDerWaalsContact C-N 3.33Å; H335-I337 PolarHBondContact O-N 2.82Å; H335-A338 PolarHBondContact O-N 2.84Å; H335-K339 PolarHBondContact O-N 2.69Å |
| 336 | C | 98.9 | Very high | 98.8 | Very high | 36 Ų | 36 | 52.9 Ų | 52.9 | 24% | 0.243 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -62 | -40.9 | 176.1 | -64.7 | 0 | 0 | 0 | 0 | 112.1 | L312 F332 V333 K339 S340 | L312-C336 HydrophobicContact CD1-CB 3.57Å; F332-C336 VanDerWaalsContact CZ-SG 3.56Å; F332-C336 PolarHBondContact O-N 3.05Å; F332-C336 PolarHBondContact O-SG 2.73Å; V333-C336 PolarHBondContact O-N 2.88Å; C336-K339 PolarHBondContact O-N 2.72Å; C336-S340 PolarHBondContact O-N 2.91Å; C336-S340 VanDerWaalsContact O-N 3.14Å |
| 337 | I | 98.9 | Very high | 98.8 | Very high | 3 Ų | 3 | 53.1 Ų | 53.1 | 2% | 0.015 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -62.6 | -51.5 | 175.4 | -70.9 | 168.9 | 0 | 0 | 0 | 109.5 | Q77 A78 L312 F316 V333 R334 H335 K339 S340 Q341 | Q77-I337 HydrophobicContact CB-CG2 3.94Å; A78-I337 HydrophobicContact CB-CD1 3.78Å; A78-I337 HydrophobicContact CB-CG2 4.44Å; L312-I337 HydrophobicContact CB-CD1 4.37Å; L312-I337 HydrophobicContact CB-CG1 4.1Å; F316-I337 HydrophobicContact CB-CD1 3.94Å; F316-I337 HydrophobicContact CD2-CD1 4.39Å; F316-I337 HydrophobicContact CG-CD1 4.22Å; V333-I337 HydrophobicContact CG1-CD1 3.67Å; V333-I337 HydrophobicContact CG1-CG1 4.39Å; V333-I337 WeakPolarHBondContact O-CB 3.31Å; V333-I337 VanDerWaalsContact O-CG1 3.3Å; V333-I337 WeakPolarHBondContact O-CG1 3.34Å; V333-I337 PolarHBondContact O-N 3.05Å; R334-I337 PolarHBondContact O-N 3.47Å; H335-I337 VanDerWaalsContact C-N 3.33Å; H335-I337 PolarHBondContact O-N 2.82Å; I337-K339 VanDerWaalsContact C-N 3.25Å; I337-K339 PolarHBondContact O-N 2.81Å; I337-S340 WeakPolarHBondContact O-CB 3.31Å; I337-S340 PolarHBondContact O-N 2.96Å; I337-S340 PolarHBondContact O-OG 3.35Å; I337-Q341 WeakPolarHBondContact O-CG 3.16Å; I337-Q341 PolarHBondContact O-N 2.91Å |
| 338 | A | 98.8 | Very high | 98.8 | Very high | 45 Ų | 45 | 52.8 Ų | 52.8 | 37% | 0.372 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -54.8 | -41.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | R334 H335 S340 Q341 | R334-A338 WeakPolarHBondContact O-CB 3.31Å; R334-A338 PolarHBondContact O-N 3.49Å; H335-A338 PolarHBondContact O-N 2.84Å; A338-S340 VanDerWaalsContact C-N 3.32Å; A338-S340 PolarHBondContact O-N 2.87Å; A338-Q341 PolarHBondContact O-N 3.24Å |
| 339 | K | 98.8 | Very high | 98.8 | Very high | 121 Ų | 121 | 51.4 Ų | 51.4 | 53% | 0.526 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -60.1 | -39.1 | 175.3 | -179.7 | 55.2 | 174.6 | 172.2 | 0 | 112.8 | H335 C336 I337 Q341 E342 | H335-K339 PolarHBondContact O-N 2.69Å; C336-K339 PolarHBondContact O-N 2.72Å; I337-K339 VanDerWaalsContact C-N 3.25Å; I337-K339 PolarHBondContact O-N 2.81Å; K339-Q341 PolarHBondContact O-N 3.34Å; K339-E342 HydrophobicContact CD-CG 4.4Å; K339-E342 WeakPolarHBondContact CD-OE1 3.2Å; K339-E342 IonicContact NZ-OE1 3.02Å; K339-E342 PolarHBondContact NZ-OE1 2.82Å; K339-E342 IonicContact NZ-OE2 3.84Å; K339-E342 PolarHBondContact NZ-OE2 2.85Å; K339-E342 WeakPolarHBondContact O-CG 3.3Å |
| 340 | S | 98.8 | Very high | 98.8 | Very high | 23 Ų | 23 | 47.6 Ų | 47.6 | 16% | 0.161 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63.5 | -23.4 | 176.9 | 77.6 | 0 | 0 | 0 | 0 | 113.1 | M301 K309 C336 I337 A338 | M301-S340 VanDerWaalsContact CE-O 3.3Å; M301-S340 WeakPolarHBondContact CE-O 3.48Å; K309-S340 WeakPolarHBondContact CG-OG 3.12Å; C336-S340 PolarHBondContact O-N 2.91Å; C336-S340 VanDerWaalsContact O-N 3.14Å; I337-S340 WeakPolarHBondContact O-CB 3.31Å; I337-S340 PolarHBondContact O-N 2.96Å; I337-S340 PolarHBondContact O-OG 3.35Å; A338-S340 VanDerWaalsContact C-N 3.32Å; A338-S340 PolarHBondContact O-N 2.87Å |
| 341 | Q | 98.8 | Very high | 98.8 | Very high | 1 Ų | 1 | 48.3 Ų | 48.3 | 1% | 0.005 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | -4.4 | -170.7 | -59.4 | -59.6 | -61.4 | 0 | 0 | 114.1 | Q77 N228 H293 E297 I337 A338 K339 N343 V344 | Q77-Q341 HydrophobicContact CB-CG 3.97Å; Q77-Q341 HydrophobicContact CG-CG 3.91Å; N228-Q341 CarbonylContact C-O 3.59Å; N228-Q341 WeakPolarHBondContact CA-O 3.41Å; N228-Q341 WeakPolarHBondContact O-CB 3.44Å; H293-Q341 PolarHBondContact CE1-OE1 2.97Å; H293-Q341 PolarHBondContact NE2-OE1 3Å; E297-Q341 PolarHBondContact OE2-NE2 3.11Å; I337-Q341 WeakPolarHBondContact O-CG 3.16Å; I337-Q341 PolarHBondContact O-N 2.91Å; A338-Q341 PolarHBondContact O-N 3.24Å; K339-Q341 PolarHBondContact O-N 3.34Å; Q341-N343 PolarHBondContact O-N 2.99Å; Q341-V344 WeakPolarHBondContact O-CB 3.42Å; Q341-V344 PolarHBondContact O-N 2.97Å |
| 342 | E | 98.6 | Very high | 98.8 | Very high | 100 Ų | 100 | 44.3 Ų | 44.3 | 47% | 0.467 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | -27.4 | -173.2 | -73.3 | 178.4 | 169.5 | 0 | 0 | 115.2 | N228 K339 | N228-E342 PolarHBondContact OD1-O 2.91Å; K339-E342 HydrophobicContact CD-CG 4.4Å; K339-E342 WeakPolarHBondContact CD-OE1 3.2Å; K339-E342 IonicContact NZ-OE1 3.02Å; K339-E342 PolarHBondContact NZ-OE1 2.82Å; K339-E342 IonicContact NZ-OE2 3.84Å; K339-E342 PolarHBondContact NZ-OE2 2.85Å; K339-E342 WeakPolarHBondContact O-CG 3.3Å |
| 343 | N | 98.1 | Very high | 98.7 | Very high | 84 Ų | 84 | 41 Ų | 41 | 45% | 0.449 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -111.2 | 4 | 177.1 | -65.9 | -50 | 0 | 0 | 0 | 113.4 | T300 Q341 E345 K366 | T300-N343 WeakPolarHBondContact CB-O 3.42Å; Q341-N343 PolarHBondContact O-N 2.99Å; N343-E345 PolarHBondContact O-N 3.28Å; N343-K366 HydrophobicContact CB-CB 4.35Å; N343-K366 WeakPolarHBondContact O-CB 3.33Å |
| 344 | V | 98.8 | Very high | 98.7 | Very high | 2 Ų | 2 | 43 Ų | 43 | 1% | 0.012 | 22% | 0.215 | C | C | . | . | trans | -78.6 | 81.2 | 178.8 | -176.1 | 0 | 0 | 0 | 0 | 108.3 | K227 N228 G229 I296 E297 M301 Q341 | K227-V344 CarbonylContact C-O 3.53Å; N228-V344 PolarHBondContact N-O 2.87Å; N228-V344 VanDerWaalsContact N-O 3.12Å; G229-V344 PolarHBondContact N-O 3.17Å; I296-V344 HydrophobicContact CG2-CG1 3.83Å; E297-V344 HydrophobicContact CB-CG1 4.29Å; E297-V344 HydrophobicContact CG-CG2 4.43Å; M301-V344 HydrophobicContact CE-CG2 3.94Å; Q341-V344 WeakPolarHBondContact O-CB 3.42Å; Q341-V344 PolarHBondContact O-N 2.97Å | ||
| 345 | E | 98.6 | Very high | 98.7 | Very high | 40 Ų | 40 | 41.8 Ų | 41.8 | 19% | 0.187 | 22% | 0.215 | C | C | . | . | trans | -138.1 | 155.6 | 178.1 | 67.8 | 179.4 | -178.2 | 0 | 0 | 111.4 | F226 N343 S364 P365 K366 | F226-E345 CarbonylContact O-C 3.57Å; F226-E345 WeakPolarHBondContact O-CA 3.43Å; F226-E345 WeakPolarHBondContact O-CB 3.42Å; N343-E345 PolarHBondContact O-N 3.28Å; E345-S364 VanDerWaalsContact O-CB 3.22Å; E345-S364 WeakPolarHBondContact O-CB 3.24Å; E345-S364 PolarHBondContact O-OG 3.25Å; E345-P365 HydrophobicContact CG-CG 4.44Å; E345-K366 HydrophobicContact CG-CB 4.2Å; E345-K366 HydrophobicContact CG-CG 3.55Å; E345-K366 WeakPolarHBondContact OE1-CE 3.3Å; E345-K366 WeakPolarHBondContact OE1-CG 3.4Å | ||
| 346 | G | 98.8 | Very high | 98.7 | Very high | 8 Ų | 8 | 40.3 Ų | 40.3 | 8% | 0.082 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 131.8 | -165 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | E225 F226 E363 | E225-G346 CarbonylContact C-O 3.59Å; E225-G346 WeakPolarHBondContact CA-O 3.38Å; F226-G346 PolarHBondContact N-O 2.89Å; F226-G346 PolarHBondContact O-N 2.94Å; G346-E363 CarbonylContact C-O 3.6Å; G346-E363 VanDerWaalsContact CA-O 3.31Å; G346-E363 WeakPolarHBondContact CA-O 3.4Å |
| 347 | K | 98.9 | Very high | 98.6 | Very high | 54 Ų | 54 | 39.4 Ų | 39.4 | 24% | 0.235 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 142.3 | -172.3 | -55.2 | -175.2 | -154.5 | 142.6 | 0 | 111.3 | E223 I224 E225 R362 E363 | E223-K347 VanDerWaalsContact CD-CD 3.49Å; E223-K347 HydrophobicContact CG-CB 4.06Å; E223-K347 HydrophobicContact CG-CD 4.07Å; E223-K347 HydrophobicContact CG-CG 4.49Å; E223-K347 WeakPolarHBondContact OE1-CD 3.44Å; I224-K347 CarbonylContact O-C 3.5Å; I224-K347 WeakPolarHBondContact O-CA 3.41Å; E225-K347 HydrophobicContact CB-CG 4.12Å; E225-K347 HydrophobicContact CG-CG 3.99Å; K347-R362 CarbonylContact O-C 3.57Å; K347-R362 WeakPolarHBondContact O-CA 3.42Å; K347-R362 WeakPolarHBondContact O-CB 3.46Å; K347-E363 HydrophobicContact CB-CG 4.03Å; K347-E363 WeakPolarHBondContact CD-OE1 3.47Å; K347-E363 WeakPolarHBondContact CE-OE1 3.26Å; K347-E363 HydrophobicContact CG-CG 4.48Å; K347-E363 PolarHBondContact N-O 3Å; K347-E363 IonicContact NZ-OE1 2.81Å; K347-E363 PolarHBondContact NZ-OE1 2.84Å; K347-E363 PolarHBondContact O-N 3.29Å |
| 348 | V | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 128.7 | 172.9 | -175.2 | 0 | 0 | 0 | 0 | 109.2 | E223 I224 A292 D295 I296 L350 V359 R362 | E223-V348 WeakPolarHBondContact CA-O 3.29Å; I224-V348 PolarHBondContact N-O 3.11Å; I224-V348 PolarHBondContact O-N 3.22Å; A292-V348 HydrophobicContact CB-CB 4.19Å; A292-V348 HydrophobicContact CB-CG1 4.23Å; D295-V348 HydrophobicContact CB-CG1 4.23Å; D295-V348 HydrophobicContact CB-CG2 4.39Å; I296-V348 HydrophobicContact CB-CG2 3.67Å; I296-V348 HydrophobicContact CD1-CG2 4.21Å; I296-V348 HydrophobicContact CG1-CG2 4.37Å; V348-L350 HydrophobicContact CG1-CD2 3.89Å; V348-L350 HydrophobicContact CG1-CG 4.48Å; V348-V359 HydrophobicContact CG1-CG1 3.89Å; V348-R362 HydrophobicContact CG2-CB 4.26Å |
| 349 | Q | 98.8 | Very high | 98.6 | Very high | 73 Ų | 73 | 45.2 Ų | 45.2 | 34% | 0.341 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 126 | 172.5 | -67.6 | -173.7 | 8.7 | 0 | 0 | 110.3 | L222 E223 L360 G361 | L222-Q349 CarbonylContact O-C 3.56Å; L222-Q349 VanDerWaalsContact O-CA 3.26Å; L222-Q349 WeakPolarHBondContact O-CA 3.25Å; E223-Q349 HydrophobicContact CB-CG 4.25Å; E223-Q349 HydrophobicContact CG-CG 4.28Å; E223-Q349 PolarHBondContact OE2-NE2 3.34Å; Q349-L360 HydrophobicContact CB-CB 4.2Å; Q349-L360 PolarHBondContact O-N 2.83Å; Q349-G361 PolarHBondContact N-O 3.41Å |
| 350 | L | 98.7 | Very high | 98.6 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 138.5 | 178.6 | -59.6 | -176.6 | 0 | 0 | 0 | 110.7 | V221 L222 I224 L288 A292 V348 V357 Y358 V359 | V221-L350 CarbonylContact C-O 3.54Å; V221-L350 VanDerWaalsContact CA-O 3.28Å; V221-L350 WeakPolarHBondContact CA-O 3.49Å; L222-L350 PolarHBondContact N-O 3.27Å; L222-L350 PolarHBondContact O-N 3.16Å; I224-L350 HydrophobicContact CD1-CD1 3.8Å; L288-L350 HydrophobicContact CB-CD1 4.43Å; L288-L350 HydrophobicContact CD2-CD1 4.2Å; A292-L350 HydrophobicContact CB-CD1 3.99Å; A292-L350 HydrophobicContact CB-CD2 4.32Å; A292-L350 HydrophobicContact CB-CG 4.36Å; V348-L350 HydrophobicContact CG1-CD2 3.89Å; V348-L350 HydrophobicContact CG1-CG 4.48Å; L350-V357 HydrophobicContact CB-CG1 4.39Å; L350-V357 HydrophobicContact CD1-CG1 3.87Å; L350-V357 HydrophobicContact CD2-CG1 4.13Å; L350-V357 HydrophobicContact CG-CG1 4.37Å; L350-Y358 CarbonylContact C-O 3.56Å; L350-Y358 VanDerWaalsContact CA-O 3.29Å; L350-Y358 WeakPolarHBondContact CA-O 3.45Å; L350-V359 HydrophobicContact CD2-CB 4.41Å; L350-V359 HydrophobicContact CD2-CG2 3.82Å |
| 351 | S | 98.7 | Very high | 98.6 | Very high | 16 Ų | 16 | 43.9 Ų | 43.9 | 11% | 0.112 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 127.4 | 158.8 | -175.9 | 0 | 0 | 0 | 0 | 109.6 | P219 Y358 | P219-S351 VanDerWaalsContact CB-OG 3.29Å; P219-S351 WeakPolarHBondContact CB-OG 3.26Å; S351-Y358 PolarHBondContact N-O 3.02Å; S351-Y358 PolarHBondContact O-N 3.17Å |
| 352 | V | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 117.9 | 178.7 | -166.5 | 0 | 0 | 0 | 0 | 108.6 | P219 D220 L222 I256 H260 V262 L288 | P219-V352 WeakPolarHBondContact CA-O 3.47Å; D220-V352 PolarHBondContact N-O 2.97Å; D220-V352 PolarHBondContact O-N 2.95Å; L222-V352 HydrophobicContact CD1-CG2 4.06Å; L222-V352 HydrophobicContact CG-CG2 4.31Å; I256-V352 HydrophobicContact CG2-CB 4.3Å; I256-V352 HydrophobicContact CG2-CG1 4.39Å; I256-V352 HydrophobicContact CG2-CG2 4.24Å; H260-V352 HydrophobicContact CB-CG1 3.7Å; H260-V352 PolarHBondContact CE1-O 2.76Å; H260-V352 PolarHBondContact ND1-O 3.31Å; V262-V352 HydrophobicContact CG2-CG1 3.69Å; L288-V352 HydrophobicContact CD2-CB 4.44Å; L288-V352 HydrophobicContact CD2-CG1 4.02Å; L288-V352 HydrophobicContact CD2-CG2 3.53Å |
| 353 | F | 98.6 | Very high | 98.6 | Very high | 66 Ų | 66 | 49 Ų | 49 | 29% | 0.289 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.5 | 127.4 | -170.3 | -172 | -119.6 | 0 | 0 | 0 | 112.6 | P219 G355 Q356 Y358 | P219-F353 HydrophobicContact CB-CB 4.07Å; P219-F353 HydrophobicContact CB-CD2 4.06Å; P219-F353 HydrophobicContact CB-CG 4.3Å; F353-G355 VanDerWaalsContact C-N 3.35Å; F353-G355 PolarHBondContact O-N 2.86Å; F353-Q356 PolarHBondContact N-O 3.2Å; F353-Q356 WeakPolarHBondContact O-CA 3.46Å; F353-Q356 WeakPolarHBondContact O-CB 3.36Å; F353-Q356 PolarHBondContact O-N 2.8Å; F353-Y358 HydrophobicContact CB-CE2 4.39Å |
| 354 | K | 98.1 | Very high | 98.6 | Very high | 51 Ų | 51 | 46 Ų | 46 | 22% | 0.222 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 45.7 | 53.5 | 166.2 | -64.6 | -74.9 | -175 | -176.1 | 0 | 113.6 | P212 E213 S215 P216 N217 Q356 | P212-K354 WeakPolarHBondContact O-CD 3.37Å; P212-K354 PolarHBondContact O-NZ 3.44Å; E213-K354 PolarHBondContact O-NZ 2.68Å; S215-K354 WeakPolarHBondContact O-CE 3.21Å; S215-K354 PolarHBondContact O-NZ 3.19Å; S215-K354 WeakPolarHBondContact OG-CD 3.41Å; P216-K354 WeakPolarHBondContact O-CE 3.31Å; N217-K354 WeakPolarHBondContact OD1-CE 3.33Å; N217-K354 PolarHBondContact OD1-NZ 3.02Å; K354-Q356 VanDerWaalsContact C-N 3.26Å; K354-Q356 PolarHBondContact O-N 3.43Å |
| 355 | G | 98 | Very high | 98.6 | Very high | 15 Ų | 15 | 51.3 Ų | 51.3 | 16% | 0.155 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 78.6 | 3.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | H260 G261 F353 | H260-G355 WeakPolarHBondContact O-CA 3.47Å; H260-G355 PolarHBondContact O-N 3.26Å; G261-G355 WeakPolarHBondContact O-CA 3.43Å; F353-G355 VanDerWaalsContact C-N 3.35Å; F353-G355 PolarHBondContact O-N 2.86Å |
| 356 | Q | 98.5 | Very high | 98.6 | Very high | 108 Ų | 108 | 53.8 Ų | 53.8 | 51% | 0.505 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 160 | -176.2 | -66 | -61.3 | -34.2 | 0 | 0 | 113.1 | F353 K354 Y358 | F353-Q356 PolarHBondContact N-O 3.2Å; F353-Q356 WeakPolarHBondContact O-CA 3.46Å; F353-Q356 WeakPolarHBondContact O-CB 3.36Å; F353-Q356 PolarHBondContact O-N 2.8Å; K354-Q356 VanDerWaalsContact C-N 3.26Å; K354-Q356 PolarHBondContact O-N 3.43Å; Q356-Y358 HydrophobicContact CB-CD2 4.37Å; Q356-Y358 HydrophobicContact CB-CE2 3.5Å; Q356-Y358 WeakPolarHBondContact CB-OH 3.19Å |
| 357 | V | 98.7 | Very high | 98.5 | Very high | 17 Ų | 17 | 55.2 Ų | 55.2 | 10% | 0.103 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 123.8 | 178.6 | -172.8 | 0 | 0 | 0 | 0 | 108 | V262 T287 L288 K291 L350 | V262-V357 HydrophobicContact CB-CG2 4.49Å; V262-V357 HydrophobicContact CG1-CG2 3.52Å; V262-V357 HydrophobicContact CG2-CG2 4.1Å; T287-V357 HydrophobicContact CG2-CG2 4.44Å; L288-V357 HydrophobicContact CD2-CB 4.24Å; L288-V357 HydrophobicContact CD2-CG1 3.73Å; L288-V357 HydrophobicContact CD2-CG2 3.48Å; L288-V357 VanDerWaalsContact CD2-CG2 3.48Å; L288-V357 HydrophobicContact CG-CG2 4.4Å; K291-V357 HydrophobicContact CB-CG1 4Å; K291-V357 HydrophobicContact CG-CB 4.2Å; K291-V357 HydrophobicContact CG-CG1 4.22Å; L350-V357 HydrophobicContact CB-CG1 4.39Å; L350-V357 HydrophobicContact CD1-CG1 3.87Å; L350-V357 HydrophobicContact CD2-CG1 4.13Å; L350-V357 HydrophobicContact CG-CG1 4.37Å |
| 358 | Y | 98.8 | Very high | 98.4 | Very high | 119 Ų | 119 | 57.9 Ų | 57.9 | 47% | 0.467 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 130 | -180 | -55.4 | -88 | 0 | 0 | 0 | 109.6 | L350 S351 F353 Q356 | L350-Y358 CarbonylContact C-O 3.56Å; L350-Y358 VanDerWaalsContact CA-O 3.29Å; L350-Y358 WeakPolarHBondContact CA-O 3.45Å; S351-Y358 PolarHBondContact N-O 3.02Å; S351-Y358 PolarHBondContact O-N 3.17Å; F353-Y358 HydrophobicContact CB-CE2 4.39Å; Q356-Y358 HydrophobicContact CB-CD2 4.37Å; Q356-Y358 HydrophobicContact CB-CE2 3.5Å; Q356-Y358 WeakPolarHBondContact CB-OH 3.19Å |
| 359 | V | 98.8 | Very high | 98.4 | Very high | 51 Ų | 51 | 64.2 Ų | 64.2 | 31% | 0.309 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 126.7 | 170.3 | -177 | 0 | 0 | 0 | 0 | 108.6 | D295 V348 L350 R362 | D295-V359 HydrophobicContact CB-CG1 4.49Å; D295-V359 HydrophobicContact CB-CG2 4.24Å; V348-V359 HydrophobicContact CG1-CG1 3.89Å; L350-V359 HydrophobicContact CD2-CB 4.41Å; L350-V359 HydrophobicContact CD2-CG2 3.82Å; V359-R362 VanDerWaalsContact CG1-NH2 3.28Å |
| 360 | L | 98.8 | Very high | 98.2 | Very high | 96 Ų | 96 | 64.6 Ų | 64.6 | 50% | 0.503 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | -36.2 | 178.7 | -60 | -178 | 0 | 0 | 0 | 112.1 | V221 Q349 | V221-L360 HydrophobicContact CG1-CD1 3.81Å; V221-L360 HydrophobicContact CG2-CD1 4.31Å; Q349-L360 HydrophobicContact CB-CB 4.2Å; Q349-L360 PolarHBondContact O-N 2.83Å |
| 361 | G | 98.5 | Very high | 98 | Very high | 20 Ų | 20 | 71.9 Ų | 71.9 | 21% | 0.206 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -177.9 | 169 | -176.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q349 | Q349-G361 PolarHBondContact N-O 3.41Å |
| 362 | R | 98.7 | Very high | 97.8 | Very high | 108 Ų | 108 | 77.2 Ų | 77.2 | 41% | 0.408 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 154.4 | 177.9 | 72.4 | -69.2 | -64.9 | 173.1 | -7.1 | 110.9 | D295 F299 K347 V348 V359 | D295-R362 IonicContact OD1-CZ 3.77Å; D295-R362 IonicContact OD1-NE 3.24Å; D295-R362 IonicContact OD1-NH2 2.85Å; D295-R362 PolarHBondContact OD1-NH2 3.39Å; D295-R362 WeakPolarHBondContact OD2-CB 3.5Å; D295-R362 IonicContact OD2-CZ 3.36Å; D295-R362 IonicContact OD2-NE 3.97Å; D295-R362 PolarHBondContact OD2-NE 2.99Å; D295-R362 IonicContact OD2-NH2 3.67Å; D295-R362 PolarHBondContact OD2-NH2 3.08Å; F299-R362 HydrophobicContact CB-CG 4.18Å; F299-R362 HydrophobicContact CD1-CG 3.92Å; F299-R362 HydrophobicContact CD2-CG 3.85Å; F299-R362 HydrophobicContact CE1-CG 4.22Å; F299-R362 HydrophobicContact CE2-CG 4.16Å; F299-R362 HydrophobicContact CG-CG 3.72Å; F299-R362 HydrophobicContact CZ-CG 4.34Å; K347-R362 CarbonylContact O-C 3.57Å; K347-R362 WeakPolarHBondContact O-CA 3.42Å; K347-R362 WeakPolarHBondContact O-CB 3.46Å; V348-R362 HydrophobicContact CG2-CB 4.26Å; V359-R362 VanDerWaalsContact CG1-NH2 3.28Å |
| 363 | E | 98.7 | Very high | 97.5 | Very high | 102 Ų | 102 | 80.8 Ų | 80.8 | 48% | 0.477 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 150.1 | 172.5 | 59.8 | 173 | -166.5 | 0 | 0 | 110.1 | G346 K347 | G346-E363 CarbonylContact C-O 3.6Å; G346-E363 VanDerWaalsContact CA-O 3.31Å; G346-E363 WeakPolarHBondContact CA-O 3.4Å; K347-E363 HydrophobicContact CB-CG 4.03Å; K347-E363 WeakPolarHBondContact CD-OE1 3.47Å; K347-E363 WeakPolarHBondContact CE-OE1 3.26Å; K347-E363 HydrophobicContact CG-CG 4.48Å; K347-E363 PolarHBondContact N-O 3Å; K347-E363 IonicContact NZ-OE1 2.81Å; K347-E363 PolarHBondContact NZ-OE1 2.84Å; K347-E363 PolarHBondContact O-N 3.29Å |
| 364 | S | 98.7 | Very high | 97.3 | Very high | 21 Ų | 21 | 81.4 Ų | 81.4 | 15% | 0.147 | 41% | 0.41 | C | S | . | . | trans | -157.7 | 137.8 | 177.8 | 177.1 | 0 | 0 | 0 | 0 | 111.5 | T300 E345 K366 S367 | T300-S364 WeakPolarHBondContact CG2-OG 3.44Å; E345-S364 VanDerWaalsContact O-CB 3.22Å; E345-S364 WeakPolarHBondContact O-CB 3.24Å; E345-S364 PolarHBondContact O-OG 3.25Å; S364-K366 PolarHBondContact O-N 2.76Å; S364-K366 PolarHBondContact OG-N 2.51Å; S364-S367 WeakPolarHBondContact O-CB 3.44Å; S364-S367 PolarHBondContact O-N 2.73Å | ||
| 365 | P | 97.9 | Very high | 97.1 | Very high | 112 Ų | 112 | 80.8 Ų | 80.8 | 73% | 0.727 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70 | -10.3 | 167.9 | 32.2 | -35.8 | 0 | 0 | 0 | 113.1 | E345 | E345-P365 HydrophobicContact CG-CG 4.44Š|
| 366 | K | 97.7 | Very high | 96.8 | Very high | 92 Ų | 92 | 89 Ų | 89 | 40% | 0.4 | 45% | 0.449 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.8 | 21.4 | 176.8 | -58.9 | -65 | -174.8 | 171.3 | 0 | 112.4 | T300 N343 E345 S364 L368 | T300-K366 HydrophobicContact CG2-CB 4.45Å; N343-K366 HydrophobicContact CB-CB 4.35Å; N343-K366 WeakPolarHBondContact O-CB 3.33Å; E345-K366 HydrophobicContact CG-CB 4.2Å; E345-K366 HydrophobicContact CG-CG 3.55Å; E345-K366 WeakPolarHBondContact OE1-CE 3.3Å; E345-K366 WeakPolarHBondContact OE1-CG 3.4Å; S364-K366 PolarHBondContact O-N 2.76Å; S364-K366 PolarHBondContact OG-N 2.51Å; K366-L368 PolarHBondContact O-N 3.41Å |
| 367 | S | 97.6 | Very high | 96.3 | Very high | 39 Ų | 39 | 91.3 Ų | 91.3 | 27% | 0.273 | 47% | 0.465 | S | S | . | . | trans | -54.8 | 132.8 | 176.8 | 177.7 | 0 | 0 | 0 | 0 | 111.3 | F299 S364 Y369 | F299-S367 VanDerWaalsContact CE1-CB 3.49Å; F299-S367 WeakPolarHBondContact CE1-OG 3.33Å; F299-S367 WeakPolarHBondContact CZ-OG 3.35Å; S364-S367 WeakPolarHBondContact O-CB 3.44Å; S364-S367 PolarHBondContact O-N 2.73Å; S367-Y369 WeakPolarHBondContact OG-CA 3.29Å; S367-Y369 VanDerWaalsContact OG-CB 3.31Å; S367-Y369 WeakPolarHBondContact OG-CB 3.49Å; S367-Y369 PolarHBondContact OG-N 3.48Å; S367-Y369 PolarHBondContact OG-O 3.15Å; S367-Y369 VanDerWaalsContact OG-O 3.11Å | ||
| 368 | L | 97.3 | Very high | 95.8 | Very high | 110 Ų | 110 | 94.2 Ų | 94.2 | 58% | 0.576 | 48% | 0.482 | S | S | * | . | trans | -93.1 | -4.5 | 164 | -62.5 | -179.2 | 0 | 0 | 0 | 112 | F299 T300 D302 K366 | F299-L368 PolarHBondContact O-N 3.15Å; F299-L368 VanDerWaalsContact O-N 3.11Å; T300-L368 WeakPolarHBondContact O-CD1 3.28Å; D302-L368 HydrophobicContact CB-CD1 4.36Å; D302-L368 VanDerWaalsContact N-CD1 3.29Å; K366-L368 PolarHBondContact O-N 3.41Å | ||
| 369 | Y | 97.3 | Very high | 95.1 | Very high | 133 Ų | 133 | 95.1 Ų | 95.1 | 52% | 0.522 | 49% | 0.491 | S | S | . | . | trans | -74.3 | 125.5 | 171.7 | -172.1 | -93 | 0 | 0 | 0 | 109.9 | F299 S367 E371 V374 | F299-Y369 HydrophobicContact CE2-CD1 4.42Å; F299-Y369 AromaticContact CE2-CG 3.93Å; F299-Y369 HydrophobicContact CE2-CG 3.93Å; S367-Y369 WeakPolarHBondContact OG-CA 3.29Å; S367-Y369 VanDerWaalsContact OG-CB 3.31Å; S367-Y369 WeakPolarHBondContact OG-CB 3.49Å; S367-Y369 PolarHBondContact OG-N 3.48Å; S367-Y369 PolarHBondContact OG-O 3.15Å; S367-Y369 VanDerWaalsContact OG-O 3.11Å; Y369-E371 HydrophobicContact CD1-CB 4.49Å; Y369-E371 HydrophobicContact CE1-CB 3.96Å; Y369-E371 HydrophobicContact CE1-CG 4.44Å; Y369-V374 HydrophobicContact CE1-CG2 4.25Å; Y369-V374 HydrophobicContact CE2-CG2 4.02Å; Y369-V374 WeakPolarHBondContact OH-CG2 3.44Å | ||
| 370 | N | 95.9 | Very high | 94.5 | Very high | 81 Ų | 81 | 94 Ų | 94 | 43% | 0.433 | 49% | 0.49 | S | S | . | . | trans | -116.2 | 104.2 | 175.3 | -179.8 | -20 | 0 | 0 | 0 | 108.4 | E372 L373 V374 | N370-E372 VanDerWaalsContact C-N 3.32Å; N370-E372 PolarHBondContact O-N 3.11Å; N370-E372 PolarHBondContact OD1-N 3.43Å; N370-E372 VanDerWaalsContact OD1-N 3.16Å; N370-L373 HydrophobicContact CB-CB 3.85Å; N370-L373 HydrophobicContact CB-CD2 4.5Å; N370-L373 PolarHBondContact O-N 3.43Å; N370-L373 PolarHBondContact OD1-N 3.48Å; N370-L373 VanDerWaalsContact OD1-N 3.1Å; N370-V374 WeakPolarHBondContact O-CG2 3.24Å; N370-V374 PolarHBondContact O-N 3.3Å | ||
| 371 | E | 94.4 | Very high | 94.1 | Very high | 153 Ų | 153 | 97.1 Ų | 97.1 | 72% | 0.715 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -61.2 | -38.5 | -176.5 | -172.1 | 176.5 | 165.7 | 0 | 0 | 112.7 | Y369 S375 | Y369-E371 HydrophobicContact CD1-CB 4.49Å; Y369-E371 HydrophobicContact CE1-CB 3.96Å; Y369-E371 HydrophobicContact CE1-CG 4.44Å; E371-S375 WeakPolarHBondContact O-CB 3.15Å; E371-S375 PolarHBondContact O-N 2.79Å |
| 372 | E | 93.8 | Very high | 93.9 | Very high | 128 Ų | 128 | 101.7 Ų | 101.7 | 60% | 0.598 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -67.8 | -41.2 | 179.1 | -173.7 | 175.7 | -173.6 | 0 | 0 | 111.5 | N370 V374 S375 V378 | N370-E372 VanDerWaalsContact C-N 3.32Å; N370-E372 PolarHBondContact O-N 3.11Å; N370-E372 PolarHBondContact OD1-N 3.43Å; N370-E372 VanDerWaalsContact OD1-N 3.16Å; E372-V374 PolarHBondContact O-N 2.86Å; E372-S375 PolarHBondContact O-N 2.85Å; E372-V378 HydrophobicContact CG-CG2 4.28Å |
| 373 | L | 93.6 | Very high | 93.6 | Very high | 75 Ų | 75 | 100.3 Ų | 100.3 | 39% | 0.393 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -66.9 | -35.2 | -179.3 | -177.2 | 66.3 | 0 | 0 | 0 | 113.2 | N370 | N370-L373 HydrophobicContact CB-CB 3.85Å; N370-L373 HydrophobicContact CB-CD2 4.5Å; N370-L373 PolarHBondContact O-N 3.43Å; N370-L373 PolarHBondContact OD1-N 3.48Å; N370-L373 VanDerWaalsContact OD1-N 3.1Å |
| 374 | V | 94.4 | Very high | 93.4 | Very high | 78 Ų | 78 | 99 Ų | 99 | 47% | 0.473 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -93.8 | -3.3 | -177 | -56.6 | 0 | 0 | 0 | 0 | 113.3 | Y369 N370 E372 | Y369-V374 HydrophobicContact CE1-CG2 4.25Å; Y369-V374 HydrophobicContact CE2-CG2 4.02Å; Y369-V374 WeakPolarHBondContact OH-CG2 3.44Å; N370-V374 WeakPolarHBondContact O-CG2 3.24Å; N370-V374 PolarHBondContact O-N 3.3Å; E372-V374 PolarHBondContact O-N 2.86Å |
| 375 | S | 92.8 | Very high | 93.3 | Very high | 39 Ų | 39 | 102.4 Ų | 102.4 | 27% | 0.273 | 54% | 0.543 | S | S | . | . | trans | -62.6 | 144.2 | -177.9 | -173.8 | 0 | 0 | 0 | 0 | 111.6 | E371 E372 D377 V378 | E371-S375 WeakPolarHBondContact O-CB 3.15Å; E371-S375 PolarHBondContact O-N 2.79Å; E372-S375 PolarHBondContact O-N 2.85Å; S375-D377 PolarHBondContact OG-N 3.48Å; S375-D377 VanDerWaalsContact OG-N 3.13Å; S375-V378 PolarHBondContact OG-N 3.1Å | ||
| 376 | M | 91.3 | Very high | 93.3 | Very high | 187 Ų | 187 | 102.5 Ų | 102.5 | 92% | 0.921 | 54% | 0.537 | S | S | * | . | S | Bend | trans | -94.5 | -13.6 | 169.9 | -67.2 | -68.3 | -153.7 | 0 | 0 | 112.2 | ||
| 377 | D | 89.6 | Confident | 93.2 | Very high | 157 Ų | 157 | 99.4 Ų | 99.4 | 84% | 0.84 | 53% | 0.528 | S | S | * | . | S | Bend | trans | -90.8 | -25.9 | -177.4 | -62.8 | -38.9 | 0 | 0 | 0 | 111.8 | S375 | S375-D377 PolarHBondContact OG-N 3.48Å; S375-D377 VanDerWaalsContact OG-N 3.13Å |
| 378 | V | 88.3 | Confident | 93.3 | Very high | 77 Ų | 77 | 100.3 Ų | 100.3 | 47% | 0.467 | 54% | 0.535 | S | S | . | . | S | Bend | trans | -127.1 | 142.3 | 174.9 | -63.4 | 0 | 0 | 0 | 0 | 109.7 | E372 S375 G380 | E372-V378 HydrophobicContact CG-CG2 4.28Å; S375-V378 PolarHBondContact OG-N 3.1Å; V378-G380 VanDerWaalsContact C-N 3.29Å; V378-G380 PolarHBondContact O-N 3.16Å |
| 379 | Q | 83.6 | Confident | 93.3 | Very high | 139 Ų | 139 | 96.1 Ų | 96.1 | 65% | 0.65 | 52% | 0.518 | S | S | * | . | trans | -66.9 | -31.6 | -179 | -178.3 | 177.3 | -20.9 | 0 | 0 | 112.6 | Y382 | Q379-Y382 PolarHBondContact NE2-O 3.33Š| ||
| 380 | G | 86.8 | Confident | 93.3 | Very high | 28 Ų | 28 | 96.3 Ų | 96.3 | 29% | 0.289 | 52% | 0.522 | S | S | . | . | trans | 61.1 | -161.5 | -174 | 0 | 0 | 0 | 0 | 0 | 113.1 | V378 Y382 | V378-G380 VanDerWaalsContact C-N 3.29Å; V378-G380 PolarHBondContact O-N 3.16Å; G380-Y382 VanDerWaalsContact C-N 3.29Å; G380-Y382 PolarHBondContact O-N 3.43Å | ||
| 381 | D | 90.2 | Very high | 93.5 | Very high | 160 Ų | 160 | 97.7 Ų | 97.7 | 86% | 0.856 | 53% | 0.528 | S | S | * | . | S | Bend | trans | -89.8 | 57.4 | 176.9 | -170.1 | 27.9 | 0 | 0 | 0 | 111.4 | ||
| 382 | Y | 92.6 | Very high | 93.7 | Very high | 117 Ų | 117 | 97.2 Ų | 97.2 | 46% | 0.459 | 52% | 0.52 | S | S | . | . | trans | -136.4 | 129 | 177.3 | -176.9 | -104.8 | 0 | 0 | 0 | 110.6 | Q379 G380 P384 | Q379-Y382 PolarHBondContact NE2-O 3.33Å; G380-Y382 VanDerWaalsContact C-N 3.29Å; G380-Y382 PolarHBondContact O-N 3.43Å; Y382-P384 HydrophobicContact CD1-CG 4.5Å; Y382-P384 WeakPolarHBondContact O-CD 3.45Å | ||
| 383 | D | 93.6 | Very high | 93.9 | Very high | 79 Ų | 79 | 97 Ų | 97 | 42% | 0.422 | 52% | 0.522 | S | S | . | . | trans | -92.9 | 110.4 | 172.4 | -172.2 | -14.4 | 0 | 0 | 0 | 110.3 | C385 D386 | D383-C385 PolarHBondContact O-N 3.19Å; D383-C385 VanDerWaalsContact O-N 3.11Å; D383-C385 VanDerWaalsContact OD1-CB 3.24Å; D383-C385 WeakPolarHBondContact OD1-CB 3.5Å; D383-C385 PolarHBondContact OD1-N 2.86Å; D383-D386 PolarHBondContact O-N 3.26Å | ||
| 384 | P | 94.3 | Very high | 94.1 | Very high | 74 Ų | 74 | 97.8 Ų | 97.8 | 48% | 0.481 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -60.9 | -21 | 178 | -23.1 | 35.4 | 0 | 0 | 0 | 114.2 | Y382 D386 A387 | Y382-P384 HydrophobicContact CD1-CG 4.5Å; Y382-P384 WeakPolarHBondContact O-CD 3.45Å; P384-D386 VanDerWaalsContact C-N 3.3Å; P384-D386 PolarHBondContact O-N 2.85Å; P384-A387 WeakPolarHBondContact O-CB 3.44Å; P384-A387 PolarHBondContact O-N 3.29Å |
| 385 | C | 96.9 | Very high | 94.3 | Very high | 93 Ų | 93 | 95.1 Ų | 95.1 | 63% | 0.628 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -64.8 | -32.8 | 178.6 | -73.1 | 0 | 0 | 0 | 0 | 112.6 | D383 A387 S388 | D383-C385 PolarHBondContact O-N 3.19Å; D383-C385 VanDerWaalsContact O-N 3.11Å; D383-C385 VanDerWaalsContact OD1-CB 3.24Å; D383-C385 WeakPolarHBondContact OD1-CB 3.5Å; D383-C385 PolarHBondContact OD1-N 2.86Å; C385-A387 VanDerWaalsContact C-N 3.28Å; C385-A387 PolarHBondContact O-N 2.82Å; C385-S388 WeakPolarHBondContact O-CB 3.38Å; C385-S388 PolarHBondContact O-N 2.88Å |
| 386 | D | 96.8 | Very high | 94.6 | Very high | 114 Ų | 114 | 97.2 Ų | 97.2 | 61% | 0.61 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -63 | -34.7 | -179.5 | -75.1 | -26.5 | 0 | 0 | 0 | 112.5 | D383 P384 S388 G389 F390 | D383-D386 PolarHBondContact O-N 3.26Å; P384-D386 VanDerWaalsContact C-N 3.3Å; P384-D386 PolarHBondContact O-N 2.85Å; D386-S388 PolarHBondContact O-N 3.47Å; D386-G389 PolarHBondContact O-N 2.79Å; D386-G389 VanDerWaalsContact O-N 3.14Å; D386-F390 PolarHBondContact O-N 2.88Å |
| 387 | A | 97.1 | Very high | 94.9 | Very high | 26 Ų | 26 | 97.2 Ų | 97.2 | 22% | 0.215 | 51% | 0.513 | C | S | . | . | H | α-helix | trans | -56.1 | -37.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | P384 C385 G389 F390 I391 | P384-A387 WeakPolarHBondContact O-CB 3.44Å; P384-A387 PolarHBondContact O-N 3.29Å; C385-A387 VanDerWaalsContact C-N 3.28Å; C385-A387 PolarHBondContact O-N 2.82Å; A387-G389 PolarHBondContact O-N 3.17Å; A387-F390 PolarHBondContact O-N 2.9Å; A387-I391 WeakPolarHBondContact O-CB 3.33Å; A387-I391 WeakPolarHBondContact O-CD1 3.44Å; A387-I391 WeakPolarHBondContact O-CG1 3.35Å; A387-I391 PolarHBondContact O-N 3Å |
| 388 | S | 98.1 | Very high | 95.3 | Very high | 59 Ų | 59 | 94.5 Ų | 94.5 | 41% | 0.413 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.9 | -42.9 | -179.3 | -71.6 | 0 | 0 | 0 | 0 | 112.1 | C385 D386 R392 | C385-S388 WeakPolarHBondContact O-CB 3.38Å; C385-S388 PolarHBondContact O-N 2.88Å; D386-S388 PolarHBondContact O-N 3.47Å; S388-R392 WeakPolarHBondContact O-CG 3.01Å; S388-R392 PolarHBondContact O-N 2.8Å; S388-R392 PolarHBondContact O-NE 3.2Å |
| 389 | G | 98.3 | Very high | 95.7 | Very high | 22 Ų | 22 | 98.6 Ų | 98.6 | 23% | 0.227 | 51% | 0.505 | C | S | . | . | H | α-helix | trans | -66 | -48.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | D386 A387 I391 R392 I393 | D386-G389 PolarHBondContact O-N 2.79Å; D386-G389 VanDerWaalsContact O-N 3.14Å; A387-G389 PolarHBondContact O-N 3.17Å; G389-I391 PolarHBondContact O-N 3.36Å; G389-R392 PolarHBondContact O-N 3.45Å; G389-I393 WeakPolarHBondContact O-CG1 3.37Å; G389-I393 PolarHBondContact O-N 3.34Å |
| 390 | F | 98.1 | Very high | 96.4 | Very high | 137 Ų | 137 | 95.9 Ų | 95.9 | 60% | 0.601 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -56.2 | -46.7 | 179.2 | 178.1 | -98 | 0 | 0 | 0 | 112.9 | D386 A387 I393 N394 | D386-F390 PolarHBondContact O-N 2.88Å; A387-F390 PolarHBondContact O-N 2.9Å; F390-I393 PolarHBondContact O-N 3.25Å; F390-N394 WeakPolarHBondContact CE1-ND2 3.28Å; F390-N394 WeakPolarHBondContact CE2-ND2 3.45Å; F390-N394 VanDerWaalsContact CZ-ND2 3.3Å; F390-N394 WeakPolarHBondContact CZ-ND2 3.4Å; F390-N394 PolarHBondContact O-N 2.91Å; F390-N394 VanDerWaalsContact O-N 3.08Å; F390-N394 PolarHBondContact O-ND2 2.88Å |
| 391 | I | 98.6 | Very high | 96.8 | Very high | 109 Ų | 109 | 99.7 Ų | 99.7 | 56% | 0.559 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -63 | -47.2 | 177.7 | -69.9 | 164.2 | 0 | 0 | 0 | 110.5 | A387 G389 I393 N394 A395 | A387-I391 WeakPolarHBondContact O-CB 3.33Å; A387-I391 WeakPolarHBondContact O-CD1 3.44Å; A387-I391 WeakPolarHBondContact O-CG1 3.35Å; A387-I391 PolarHBondContact O-N 3Å; G389-I391 PolarHBondContact O-N 3.36Å; I391-I393 VanDerWaalsContact C-N 3.3Å; I391-I393 PolarHBondContact O-N 2.86Å; I391-N394 PolarHBondContact O-N 3.37Å; I391-A395 VanDerWaalsContact O-CB 3.32Å; I391-A395 WeakPolarHBondContact O-CB 3.29Å; I391-A395 PolarHBondContact O-N 2.86Å |
| 392 | R | 98.4 | Very high | 97.1 | Very high | 144 Ų | 144 | 98.3 Ų | 98.3 | 54% | 0.543 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -59.5 | -41.6 | -179.5 | -77.3 | -172.5 | -62.6 | -101.1 | 2.2 | 111.7 | S388 G389 A395 V396 | S388-R392 WeakPolarHBondContact O-CG 3.01Å; S388-R392 PolarHBondContact O-N 2.8Å; S388-R392 PolarHBondContact O-NE 3.2Å; G389-R392 PolarHBondContact O-N 3.45Å; R392-A395 PolarHBondContact O-N 3.13Å; R392-V396 WeakPolarHBondContact O-CG2 3.48Å; R392-V396 PolarHBondContact O-N 3.05Å |
| 393 | I | 98.4 | Very high | 97.2 | Very high | 124 Ų | 124 | 99 Ų | 99 | 64% | 0.636 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -64.5 | -48.9 | 177.9 | -67.7 | 166.6 | 0 | 0 | 0 | 110.8 | G389 F390 I391 A395 V396 | G389-I393 WeakPolarHBondContact O-CG1 3.37Å; G389-I393 PolarHBondContact O-N 3.34Å; F390-I393 PolarHBondContact O-N 3.25Å; I391-I393 VanDerWaalsContact C-N 3.3Å; I391-I393 PolarHBondContact O-N 2.86Å; I393-A395 PolarHBondContact O-N 3.19Å; I393-V396 WeakPolarHBondContact O-CB 3.42Å; I393-V396 WeakPolarHBondContact O-CG2 2.93Å; I393-V396 PolarHBondContact O-N 2.73Å; I393-V396 VanDerWaalsContact O-N 3.15Å |
| 394 | N | 98.2 | Very high | 97.1 | Very high | 91 Ų | 91 | 100.1 Ų | 100.1 | 49% | 0.487 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.4 | -34.1 | 177.1 | -81.9 | -83.4 | 0 | 0 | 0 | 112.6 | F390 I391 V396 | F390-N394 WeakPolarHBondContact CE1-ND2 3.28Å; F390-N394 WeakPolarHBondContact CE2-ND2 3.45Å; F390-N394 VanDerWaalsContact CZ-ND2 3.3Å; F390-N394 WeakPolarHBondContact CZ-ND2 3.4Å; F390-N394 PolarHBondContact O-N 2.91Å; F390-N394 VanDerWaalsContact O-N 3.08Å; F390-N394 PolarHBondContact O-ND2 2.88Å; I391-N394 PolarHBondContact O-N 3.37Å; N394-V396 VanDerWaalsContact C-N 3.27Å; N394-V396 PolarHBondContact O-N 3.46Å |
| 395 | A | 98.3 | Very high | 96.9 | Very high | 21 Ų | 21 | 101.8 Ų | 101.8 | 17% | 0.174 | 50% | 0.499 | C | S | . | . | H | α-helix | trans | -70.1 | -18.7 | 179 | 0 | 0 | 0 | 0 | 0 | 113.8 | I391 R392 I393 R397 L398 R399 | I391-A395 VanDerWaalsContact O-CB 3.32Å; I391-A395 WeakPolarHBondContact O-CB 3.29Å; I391-A395 PolarHBondContact O-N 2.86Å; R392-A395 PolarHBondContact O-N 3.13Å; I393-A395 PolarHBondContact O-N 3.19Å; A395-R397 PolarHBondContact O-N 3.25Å; A395-L398 PolarHBondContact O-N 3.13Å; A395-L398 VanDerWaalsContact O-N 3.07Å; A395-R399 WeakPolarHBondContact O-CG 3.45Å; A395-R399 PolarHBondContact O-N 3.2Å |
| 396 | V | 98.4 | Very high | 95.8 | Very high | 84 Ų | 84 | 99.4 Ų | 99.4 | 51% | 0.509 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -53.8 | -51.5 | -178.9 | 174.1 | 0 | 0 | 0 | 0 | 111.1 | R392 I393 N394 L398 R399 E400 | R392-V396 WeakPolarHBondContact O-CG2 3.48Å; R392-V396 PolarHBondContact O-N 3.05Å; I393-V396 WeakPolarHBondContact O-CB 3.42Å; I393-V396 WeakPolarHBondContact O-CG2 2.93Å; I393-V396 PolarHBondContact O-N 2.73Å; I393-V396 VanDerWaalsContact O-N 3.15Å; N394-V396 VanDerWaalsContact C-N 3.27Å; N394-V396 PolarHBondContact O-N 3.46Å; V396-L398 VanDerWaalsContact C-N 3.26Å; V396-L398 PolarHBondContact O-N 3.29Å; V396-R399 PolarHBondContact O-N 3.21Å; V396-E400 PolarHBondContact O-N 2.88Å; V396-E400 VanDerWaalsContact O-N 3.07Å |
| 397 | R | 97.8 | Very high | 94 | Very high | 187 Ų | 187 | 97.8 Ų | 97.8 | 71% | 0.706 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -58.3 | -38.2 | 178.7 | 176.5 | 176.7 | 67.5 | 82.2 | -3.6 | 112.5 | A395 H401 | A395-R397 PolarHBondContact O-N 3.25Å; R397-H401 WeakPolarHBondContact O-CB 3.48Å; R397-H401 PolarHBondContact O-N 2.85Å; R397-H401 VanDerWaalsContact O-N 3.08Å |
| 398 | L | 97.9 | Very high | 92.1 | Very high | 99 Ų | 99 | 101 Ų | 101 | 52% | 0.518 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -72.4 | -41.3 | -177.5 | -55.8 | -178 | 0 | 0 | 0 | 111.4 | A395 V396 H401 H402 | A395-L398 PolarHBondContact O-N 3.13Å; A395-L398 VanDerWaalsContact O-N 3.07Å; V396-L398 VanDerWaalsContact C-N 3.26Å; V396-L398 PolarHBondContact O-N 3.29Å; L398-H401 PolarHBondContact O-N 3.38Å; L398-H402 PolarHBondContact O-N 3.24Å; L398-H402 VanDerWaalsContact O-N 3.1Å |
| 399 | R | 97.4 | Very high | 90.1 | Very high | 163 Ų | 163 | 101 Ų | 101 | 62% | 0.615 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -61.6 | -43.9 | 175.5 | -70.3 | 174.9 | 179.7 | -173.8 | -1.1 | 111.4 | A395 V396 H402 R403 | A395-R399 WeakPolarHBondContact O-CG 3.45Å; A395-R399 PolarHBondContact O-N 3.2Å; V396-R399 PolarHBondContact O-N 3.21Å; R399-H402 PolarHBondContact O-N 2.72Å; R399-R403 PolarHBondContact O-N 3.48Å |
| 400 | E | 97.4 | Very high | 88.1 | Confident | 83 Ų | 83 | 107.3 Ų | 107.3 | 39% | 0.388 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -67.9 | -39.3 | 178.5 | -71 | -52.8 | 116.6 | 0 | 0 | 112.9 | V396 H402 R403 L404 | V396-E400 PolarHBondContact O-N 2.88Å; V396-E400 VanDerWaalsContact O-N 3.07Å; E400-H402 VanDerWaalsContact C-N 3.34Å; E400-H402 PolarHBondContact O-N 3.46Å; E400-R403 PolarHBondContact O-N 3.35Å; E400-R403 IonicContact OE1-NE 3.63Å; E400-R403 IonicContact OE2-CZ 3.3Å; E400-R403 VanDerWaalsContact OE2-CZ 3.25Å; E400-R403 IonicContact OE2-NE 3.81Å; E400-R403 PolarHBondContact OE2-NE 2.73Å; E400-R403 IonicContact OE2-NH2 2.83Å; E400-R403 PolarHBondContact OE2-NH2 3.34Å; E400-L404 PolarHBondContact O-N 3.36Å; E400-L404 VanDerWaalsContact O-N 3.12Å |
| 401 | H | 95.8 | Very high | 86 | Confident | 107 Ų | 107 | 110 Ų | 110 | 50% | 0.495 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -58.9 | -46.3 | 174.1 | -179.8 | 66.8 | 0 | 0 | 0 | 111.8 | R397 L398 L404 Q405 | R397-H401 WeakPolarHBondContact O-CB 3.48Å; R397-H401 PolarHBondContact O-N 2.85Å; R397-H401 VanDerWaalsContact O-N 3.08Å; L398-H401 PolarHBondContact O-N 3.38Å; H401-L404 PolarHBondContact O-N 3.13Å; H401-Q405 PolarHBondContact CE1-NE2 2.85Å; H401-Q405 VanDerWaalsContact CE1-NE2 3.35Å; H401-Q405 PolarHBondContact NE2-NE2 3.24Å; H401-Q405 PolarHBondContact O-N 2.88Å |
| 402 | H | 95.9 | Very high | 83.4 | Confident | 132 Ų | 132 | 117.6 Ų | 117.6 | 61% | 0.611 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -62.4 | -43.8 | 177 | 179.6 | 72 | 0 | 0 | 0 | 112.3 | L398 R399 E400 L404 Q405 G406 | L398-H402 PolarHBondContact O-N 3.24Å; L398-H402 VanDerWaalsContact O-N 3.1Å; R399-H402 PolarHBondContact O-N 2.72Å; E400-H402 VanDerWaalsContact C-N 3.34Å; E400-H402 PolarHBondContact O-N 3.46Å; H402-L404 VanDerWaalsContact C-N 3.3Å; H402-L404 PolarHBondContact O-N 3.01Å; H402-Q405 PolarHBondContact O-N 3.43Å; H402-Q405 VanDerWaalsContact O-N 3.14Å; H402-G406 PolarHBondContact O-N 3.15Å |
| 403 | R | 95.6 | Very high | 82.7 | Confident | 131 Ų | 131 | 116.3 Ų | 116.3 | 49% | 0.494 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -56.7 | -42.1 | 177.5 | -172.7 | -175.1 | 63.8 | 73.3 | 0.8 | 112.2 | R399 E400 S407 | R399-R403 PolarHBondContact O-N 3.48Å; E400-R403 PolarHBondContact O-N 3.35Å; E400-R403 IonicContact OE1-NE 3.63Å; E400-R403 IonicContact OE2-CZ 3.3Å; E400-R403 VanDerWaalsContact OE2-CZ 3.25Å; E400-R403 IonicContact OE2-NE 3.81Å; E400-R403 PolarHBondContact OE2-NE 2.73Å; E400-R403 IonicContact OE2-NH2 2.83Å; E400-R403 PolarHBondContact OE2-NH2 3.34Å; R403-S407 PolarHBondContact O-N 3.28Å; R403-S407 PolarHBondContact O-OG 3.11Å |
| 404 | L | 92.4 | Very high | 81.8 | Confident | 103 Ų | 103 | 115.9 Ų | 115.9 | 54% | 0.539 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -64.8 | -41.2 | 176.6 | -71.6 | 175.8 | 0 | 0 | 0 | 112.4 | E400 H401 H402 S407 S408 | E400-L404 PolarHBondContact O-N 3.36Å; E400-L404 VanDerWaalsContact O-N 3.12Å; H401-L404 PolarHBondContact O-N 3.13Å; H402-L404 VanDerWaalsContact C-N 3.3Å; H402-L404 PolarHBondContact O-N 3.01Å; L404-S407 PolarHBondContact O-N 3.39Å; L404-S408 PolarHBondContact O-OG 2.97Å; L404-S408 VanDerWaalsContact O-OG 3.08Å |
| 405 | Q | 89.4 | Confident | 80.9 | Confident | 109 Ų | 109 | 117.3 Ų | 117.3 | 51% | 0.509 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -68 | -42.4 | 177.8 | -70.7 | 179.2 | -26.2 | 0 | 0 | 112.4 | H401 H402 S407 S408 G409 | H401-Q405 PolarHBondContact CE1-NE2 2.85Å; H401-Q405 VanDerWaalsContact CE1-NE2 3.35Å; H401-Q405 PolarHBondContact NE2-NE2 3.24Å; H401-Q405 PolarHBondContact O-N 2.88Å; H402-Q405 PolarHBondContact O-N 3.43Å; H402-Q405 VanDerWaalsContact O-N 3.14Å; Q405-S407 PolarHBondContact O-N 3.22Å; Q405-S408 WeakPolarHBondContact O-CB 3.07Å; Q405-S408 PolarHBondContact O-N 3.48Å; Q405-G409 PolarHBondContact O-N 2.91Å |
| 406 | G | 72.5 | Confident | 79.9 | Confident | 43 Ų | 43 | 122.9 Ų | 122.9 | 44% | 0.443 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -64.2 | -24.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | H402 S408 | H402-G406 PolarHBondContact O-N 3.15Å; G406-S408 VanDerWaalsContact C-N 3.26Å; G406-S408 PolarHBondContact O-N 2.85Å |
| 407 | S | 59.6 | Low | 78.7 | Confident | 80 Ų | 80 | 125.4 Ų | 125.4 | 56% | 0.559 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.3 | -16.5 | 174.7 | -52.8 | 0 | 0 | 0 | 0 | 113 | R403 L404 Q405 | R403-S407 PolarHBondContact O-N 3.28Å; R403-S407 PolarHBondContact O-OG 3.11Å; L404-S407 PolarHBondContact O-N 3.39Å; Q405-S407 PolarHBondContact O-N 3.22Å |
| 408 | S | 57.7 | Low | 77.5 | Confident | 93 Ų | 93 | 121.3 Ų | 121.3 | 65% | 0.65 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.4 | -17.7 | -177.3 | -48.1 | 0 | 0 | 0 | 0 | 112.9 | L404 Q405 G406 | L404-S408 PolarHBondContact O-OG 2.97Å; L404-S408 VanDerWaalsContact O-OG 3.08Å; Q405-S408 WeakPolarHBondContact O-CB 3.07Å; Q405-S408 PolarHBondContact O-N 3.48Å; G406-S408 VanDerWaalsContact C-N 3.26Å; G406-S408 PolarHBondContact O-N 2.85Å |
| 409 | G | 56.1 | Low | 76 | Confident | 60 Ų | 60 | 122.9 Ų | 122.9 | 62% | 0.619 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.9 | -6.9 | -177.4 | 0 | 0 | 0 | 0 | 0 | 116 | Q405 | Q405-G409 PolarHBondContact O-N 2.91Š|
| 410 | N | 55.4 | Low | 74.4 | Confident | 153 Ų | 153 | 119.8 Ų | 119.8 | 82% | 0.818 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.1 | 23.5 | 178.6 | -82.9 | -6.7 | 0 | 0 | 0 | 113.5 | ||
| 411 | K | 54.8 | Low | 72.4 | Confident | 195 Ų | 195 | 122.8 Ų | 122.8 | 85% | 0.848 | 65% | 0.653 | S | S | * | * | trans | -121.7 | 72.5 | 167 | -75.4 | -172.8 | 177.9 | -178.8 | 0 | 110 | ||||
| 412 | Q | 44 | Very low | 70.3 | Confident | 268 Ų | 268 | 124.3 Ų | 124.3 | 100% | 1.252 | 67% | 0.668 | S | S | * | * | trans | -138.9 | 0 | 152 | -109.9 | -178.3 | 9.8 | 0 | 0 | 108.8 |
Retrieved 412 of 412 residues in 506 ms
(Link to these results)