| 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 | 93.9 | Very high | 97.8 | Very high | 60 Ų | 60 | 38.3 Ų | 38.3 | 30% | 0.296 | 24% | 0.244 | S | C | . | . | 0 | 165.1 | 0 | -57.9 | 176.2 | -94.5 | 0 | 0 | 111.2 | L4 D26 F27 G28 E337 | M1-L4 HydrophobicContact CB-CG 4.26Å; M1-L4 HydrophobicContact CE-CD2 4.3Å; M1-L4 WeakPolarHBondContact O-CG 3.36Å; M1-D26 VanDerWaalsContact SD-O 3.39Å; M1-F27 WeakPolarHBondContact CB-O 3.49Å; M1-G28 VanDerWaalsContact SD-CA 3.57Å; M1-E337 HydrophobicContact CE-CB 4.24Å; M1-E337 HydrophobicContact CG-CB 4.1Å; M1-E337 HydrophobicContact CG-CG 4.17Å; M1-E337 HydrophobicContact SD-CB 3.74Å; M1-E337 HydrophobicContact SD-CG 4.45Å | |||
| 2 | A | 96.9 | Very high | 97.3 | Very high | 60 Ų | 60 | 37.1 Ų | 37.1 | 50% | 0.496 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -25.1 | -167.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | F27 | A2-F27 PolarHBondContact N-O 3.4Š|
| 3 | L | 98.2 | Very high | 96.7 | Very high | 19 Ų | 19 | 36.2 Ų | 36.2 | 10% | 0.099 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.3 | 16.1 | -178.5 | -61.1 | 175.3 | 0 | 0 | 0 | 113 | G5 V6 L24 F27 G28 A29 L168 | L3-G5 PolarHBondContact O-N 3.45Å; L3-V6 HydrophobicContact CB-CB 4.49Å; L3-V6 HydrophobicContact CB-CG2 4.32Å; L3-V6 HydrophobicContact CD2-CG2 4.36Å; L3-V6 WeakPolarHBondContact O-CB 3.33Å; L3-V6 WeakPolarHBondContact O-CG2 3.36Å; L3-V6 PolarHBondContact O-N 3.14Å; L3-L24 HydrophobicContact CD1-CB 4.3Å; L3-L24 HydrophobicContact CD1-CD2 3.68Å; L3-F27 WeakPolarHBondContact CB-O 3.4Å; L3-F27 HydrophobicContact CD1-CB 3.95Å; L3-F27 HydrophobicContact CG-CB 4.25Å; L3-F27 PolarHBondContact N-O 2.69Å; L3-G28 CarbonylContact C-O 3.4Å; L3-G28 CarbonylContact O-C 3.54Å; L3-A29 HydrophobicContact CB-CB 3.97Å; L3-A29 HydrophobicContact CD1-CB 4.31Å; L3-L168 HydrophobicContact CD2-CD1 4.15Å |
| 4 | L | 97.6 | Very high | 96.2 | Very high | 117 Ų | 117 | 42.1 Ų | 42.1 | 61% | 0.613 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | 129.5 | 175.3 | -74.3 | 175 | 0 | 0 | 0 | 110.5 | M1 G28 | M1-L4 HydrophobicContact CB-CG 4.26Å; M1-L4 HydrophobicContact CE-CD2 4.3Å; M1-L4 WeakPolarHBondContact O-CG 3.36Å; L4-G28 WeakPolarHBondContact CA-O 3.16Å |
| 5 | G | 97.3 | Very high | 95.9 | Very high | 71 Ų | 71 | 41.3 Ų | 41.3 | 73% | 0.732 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 91.3 | -9.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115 | L3 | L3-G5 PolarHBondContact O-N 3.45Š|
| 6 | V | 98.8 | Very high | 95.9 | Very high | 20 Ų | 20 | 39.3 Ų | 39.3 | 12% | 0.121 | 25% | 0.254 | C | S | . | . | trans | -79.8 | 126.2 | 173.9 | 179.8 | 0 | 0 | 0 | 0 | 109.8 | L3 V8 A29 K30 D74 V75 L168 | L3-V6 HydrophobicContact CB-CB 4.49Å; L3-V6 HydrophobicContact CB-CG2 4.32Å; L3-V6 HydrophobicContact CD2-CG2 4.36Å; L3-V6 WeakPolarHBondContact O-CB 3.33Å; L3-V6 WeakPolarHBondContact O-CG2 3.36Å; L3-V6 PolarHBondContact O-N 3.14Å; V6-V8 HydrophobicContact CG1-CG2 4.06Å; V6-A29 HydrophobicContact CB-CB 4.21Å; V6-A29 HydrophobicContact CG1-CB 4.39Å; V6-K30 PolarHBondContact O-N 2.89Å; V6-D74 WeakPolarHBondContact CA-OD2 3.41Å; V6-D74 HydrophobicContact CG1-CB 4.03Å; V6-V75 HydrophobicContact CG1-CG2 4.26Å; V6-L168 HydrophobicContact CG1-CD1 4Å; V6-L168 HydrophobicContact CG1-CD2 4.26Å; V6-L168 HydrophobicContact CG2-CD1 4.2Å; V6-L168 HydrophobicContact CG2-CD2 4.45Å | ||
| 7 | K | 98.8 | Very high | 96 | Very high | 73 Ų | 73 | 36.9 Ų | 36.9 | 32% | 0.317 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 126.2 | 174.1 | -63.3 | -177.9 | -175.9 | -178.6 | 0 | 111.4 | D74 V75 | K7-D74 PolarHBondContact N-OD2 2.88Å; K7-D74 WeakPolarHBondContact O-CB 3.26Å; K7-D74 PolarHBondContact O-N 3.23Å; K7-V75 PolarHBondContact O-N 3.26Å; K7-V75 VanDerWaalsContact O-N 3.12Å |
| 8 | V | 98.9 | Very high | 96 | Very high | 1 Ų | 1 | 34.9 Ų | 34.9 | 1% | 0.006 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 125.1 | -177.7 | -175.3 | 0 | 0 | 0 | 0 | 109.6 | V6 L24 A29 K30 V31 I32 V75 L77 | V6-V8 HydrophobicContact CG1-CG2 4.06Å; V8-L24 HydrophobicContact CG1-CD1 4.31Å; V8-L24 HydrophobicContact CG2-CD1 4.19Å; V8-A29 HydrophobicContact CG2-CB 4.06Å; V8-K30 PolarHBondContact N-O 3.38Å; V8-V31 HydrophobicContact CB-CB 4.48Å; V8-V31 HydrophobicContact CB-CG1 4.44Å; V8-V31 HydrophobicContact CB-CG2 4.08Å; V8-V31 HydrophobicContact CG1-CG1 4.46Å; V8-V31 HydrophobicContact CG2-CG2 4.25Å; V8-I32 PolarHBondContact O-N 3.21Å; V8-V75 WeakPolarHBondContact CA-O 3.46Å; V8-V75 HydrophobicContact CB-CB 4.34Å; V8-V75 HydrophobicContact CG1-CB 4.07Å; V8-V75 HydrophobicContact CG1-CG1 4.17Å; V8-V75 HydrophobicContact CG2-CB 4.05Å; V8-V75 HydrophobicContact CG2-CG2 4.24Å; V8-L77 HydrophobicContact CG1-CB 4.47Å |
| 9 | I | 98.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 111.3 | 165.3 | -58.4 | -54.3 | 0 | 0 | 0 | 108 | L11 I32 V34 L66 L69 S73 V75 V76 L77 | I9-L11 HydrophobicContact CG2-CD2 4.29Å; I9-I32 HydrophobicContact CD1-CB 4.03Å; I9-I32 HydrophobicContact CD1-CD1 4.1Å; I9-I32 HydrophobicContact CD1-CG2 4.36Å; I9-V34 HydrophobicContact CG2-CG2 3.73Å; I9-L66 HydrophobicContact CG2-CD1 4.03Å; I9-L69 HydrophobicContact CD1-CB 3.95Å; I9-L69 HydrophobicContact CG1-CB 4.27Å; I9-S73 VanDerWaalsContact CG1-OG 3.28Å; I9-S73 WeakPolarHBondContact CG1-OG 3.34Å; I9-V75 PolarHBondContact N-O 2.88Å; I9-V76 HydrophobicContact CB-CG2 4.35Å; I9-V76 CarbonylContact O-C 3.56Å; I9-V76 WeakPolarHBondContact O-CA 3.47Å; I9-L77 PolarHBondContact O-N 3.03Å |
| 10 | E | 98.7 | Very high | 96.3 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 122.9 | 174.5 | 177.6 | -172.8 | 143.1 | 0 | 0 | 109.1 | P18 G21 V31 I32 R33 V34 K50 L77 | E10-P18 WeakPolarHBondContact OE1-CA 3.5Å; E10-G21 WeakPolarHBondContact OE2-CA 3.46Å; E10-V31 HydrophobicContact CB-CG1 4.05Å; E10-V31 WeakPolarHBondContact OE2-CG1 3.43Å; E10-I32 PolarHBondContact N-O 2.85Å; E10-R33 CarbonylContact O-C 3.26Å; E10-R33 WeakPolarHBondContact O-CA 3.38Å; E10-V34 PolarHBondContact O-N 3.23Å; E10-K50 VanDerWaalsContact CD-NZ 3.33Å; E10-K50 IonicContact OE1-NZ 2.73Å; E10-K50 PolarHBondContact OE1-NZ 2.99Å; E10-K50 VanDerWaalsContact OE2-CE 3.26Å; E10-K50 WeakPolarHBondContact OE2-CE 3.47Å; E10-K50 IonicContact OE2-NZ 3.06Å; E10-K50 PolarHBondContact OE2-NZ 3.25Å; E10-L77 HydrophobicContact CG-CD2 4.09Å; E10-L77 HydrophobicContact CG-CG 4.49Å |
| 11 | L | 97.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 130.1 | 172.2 | -69.7 | -58.9 | 0 | 0 | 0 | 108.3 | I9 G13 V34 L66 V76 L77 E78 P79 Y80 M85 | I9-L11 HydrophobicContact CG2-CD2 4.29Å; L11-G13 PolarHBondContact O-N 3.19Å; L11-V34 HydrophobicContact CD1-CB 4.12Å; L11-V34 HydrophobicContact CD1-CG1 4.34Å; L11-L66 HydrophobicContact CD1-CD1 4.1Å; L11-L66 HydrophobicContact CD1-CD2 3.82Å; L11-V76 HydrophobicContact CD2-CG1 3.78Å; L11-L77 WeakPolarHBondContact CD2-O 3.46Å; L11-L77 PolarHBondContact N-O 3.26Å; L11-E78 HydrophobicContact CB-CB 4.46Å; L11-E78 HydrophobicContact CD2-CB 4.11Å; L11-E78 HydrophobicContact CG-CB 4.27Å; L11-P79 VanDerWaalsContact O-CD 3.28Å; L11-P79 WeakPolarHBondContact O-CD 3.46Å; L11-P79 WeakPolarHBondContact O-CG 3.3Å; L11-Y80 HydrophobicContact CB-CE2 3.91Å; L11-Y80 HydrophobicContact CD1-CE2 4.48Å; L11-Y80 HydrophobicContact CG-CE2 4.11Å; L11-M85 HydrophobicContact CG-CE 4.49Å |
| 12 | A | 92.7 | Very high | 96.5 | Very high | 24 Ų | 24 | 29.6 Ų | 29.6 | 20% | 0.198 | 19% | 0.191 | C | C | . | . | P | Polyproline II helix | trans | -52.1 | 128.6 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | R33 V34 | A12-R33 HydrophobicContact CB-CG 4.43Å; A12-V34 VanDerWaalsContact CB-O 3.26Å; A12-V34 WeakPolarHBondContact CB-O 3.49Å; A12-V34 PolarHBondContact N-O 3.49Å; A12-V34 VanDerWaalsContact N-O 3.11Å |
| 13 | G | 89.1 | Confident | 96.6 | Very high | 25 Ų | 25 | 27.9 Ų | 27.9 | 26% | 0.258 | 17% | 0.174 | S | C | . | . | trans | -144.6 | -168.3 | -179 | 0 | 0 | 0 | 0 | 0 | 111.9 | L11 | L11-G13 PolarHBondContact O-N 3.19Š| ||
| 14 | L | 90.3 | Very high | 96.6 | Very high | 119 Ų | 119 | 27.1 Ų | 27.1 | 62% | 0.623 | 17% | 0.169 | S | C | * | . | S | Bend | trans | -100.3 | 161.8 | 173 | -60.2 | 178.3 | 0 | 0 | 0 | 110 | P16 A17 P18 | L14-P16 WeakPolarHBondContact O-CD 3.38Å; L14-P16 WeakPolarHBondContact O-CG 3.41Å; L14-A17 PolarHBondContact O-N 2.99Å; L14-A17 VanDerWaalsContact O-N 3.16Å; L14-P18 WeakPolarHBondContact O-CD 3.31Å |
| 15 | A | 90.9 | Very high | 96.7 | Very high | 31 Ų | 31 | 22 Ų | 22 | 26% | 0.256 | 14% | 0.144 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 17.8 | -73.7 | 169.9 | 0 | 0 | 0 | 0 | 0 | 117.5 | A17 P18 F19 F153 | A15-A17 PolarHBondContact O-N 2.97Å; A15-P18 WeakPolarHBondContact O-CD 3.45Å; A15-F19 VanDerWaalsContact O-CB 3.23Å; A15-F19 WeakPolarHBondContact O-CB 3.32Å; A15-F19 PolarHBondContact O-N 3.44Å; A15-F153 HydrophobicContact CB-CE1 3.94Å |
| 16 | P | 96.5 | Very high | 96.7 | Very high | 8 Ų | 8 | 18.9 Ų | 18.9 | 5% | 0.052 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -57.8 | -44.1 | -176.7 | 19.5 | -34.1 | 0 | 0 | 0 | 115.2 | L14 C20 L107 D152 G157 M184 | L14-P16 WeakPolarHBondContact O-CD 3.38Å; L14-P16 WeakPolarHBondContact O-CG 3.41Å; P16-C20 WeakPolarHBondContact O-CB 3.29Å; P16-C20 PolarHBondContact O-N 3.45Å; P16-L107 HydrophobicContact CB-CD2 3.95Å; P16-L107 HydrophobicContact CB-CG 4.27Å; P16-D152 HydrophobicContact CB-CB 4.34Å; P16-D152 WeakPolarHBondContact CB-O 3.23Å; P16-D152 HydrophobicContact CG-CB 4.39Å; P16-G157 WeakPolarHBondContact O-CA 3.43Å; P16-M184 HydrophobicContact CB-CE 3.55Å; P16-M184 HydrophobicContact CB-SD 4.27Å; P16-M184 HydrophobicContact CG-CE 3.25Å; P16-M184 HydrophobicContact CG-SD 4.01Å |
| 17 | A | 96.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -74.1 | -45.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113 | L14 A15 F19 C20 G21 P79 L107 | L14-A17 PolarHBondContact O-N 2.99Å; L14-A17 VanDerWaalsContact O-N 3.16Å; A15-A17 PolarHBondContact O-N 2.97Å; A17-F19 VanDerWaalsContact C-N 3.28Å; A17-F19 PolarHBondContact O-N 2.89Å; A17-C20 WeakPolarHBondContact O-CB 3.24Å; A17-C20 PolarHBondContact O-N 3.34Å; A17-G21 PolarHBondContact O-N 3Å; A17-P79 HydrophobicContact CB-CB 3.69Å; A17-P79 HydrophobicContact CB-CG 3.9Å; A17-L107 HydrophobicContact CB-CD2 4.19Å |
| 18 | P | 96.9 | Very high | 96.7 | Very high | 1 Ų | 1 | 16 Ų | 16 | 1% | 0.006 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -57.5 | -40.3 | 171.1 | -29.2 | 38.4 | 0 | 0 | 0 | 113.4 | E10 L14 A15 G21 M22 D44 Q46 K50 | E10-P18 WeakPolarHBondContact OE1-CA 3.5Å; L14-P18 WeakPolarHBondContact O-CD 3.31Å; A15-P18 WeakPolarHBondContact O-CD 3.45Å; P18-G21 PolarHBondContact O-N 3.48Å; P18-M22 WeakPolarHBondContact O-CB 3.23Å; P18-M22 PolarHBondContact O-N 2.89Å; P18-D44 WeakPolarHBondContact CB-OD1 3.15Å; P18-D44 WeakPolarHBondContact CB-OD2 3.28Å; P18-Q46 HydrophobicContact CB-CB 3.74Å; P18-Q46 HydrophobicContact CB-CG 4.38Å; P18-K50 PolarHBondContact O-NZ 3.05Å |
| 19 | F | 97.9 | Very high | 96.6 | Very high | 41 Ų | 41 | 16.2 Ų | 16.2 | 18% | 0.18 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -63 | -44.3 | 175 | -177 | -116.9 | 0 | 0 | 0 | 112.4 | A15 A17 G21 M22 I23 F153 L158 | A15-F19 VanDerWaalsContact O-CB 3.23Å; A15-F19 WeakPolarHBondContact O-CB 3.32Å; A15-F19 PolarHBondContact O-N 3.44Å; A17-F19 VanDerWaalsContact C-N 3.28Å; A17-F19 PolarHBondContact O-N 2.89Å; F19-G21 PolarHBondContact O-N 2.99Å; F19-M22 HydrophobicContact CD2-CE 3.73Å; F19-M22 HydrophobicContact CE2-CE 3.87Å; F19-M22 PolarHBondContact O-N 3.32Å; F19-I23 HydrophobicContact CD1-CD1 4Å; F19-I23 HydrophobicContact CE1-CD1 3.62Å; F19-I23 HydrophobicContact CE1-CG1 4.5Å; F19-I23 HydrophobicContact CE2-CD1 4.39Å; F19-I23 HydrophobicContact CE2-CG1 4.44Å; F19-I23 HydrophobicContact CZ-CD1 3.83Å; F19-I23 HydrophobicContact CZ-CG1 4.3Å; F19-I23 WeakPolarHBondContact O-CG1 3.33Å; F19-I23 PolarHBondContact O-N 3.42Å; F19-F153 HydrophobicContact CB-CD1 4Å; F19-F153 HydrophobicContact CB-CE1 3.88Å; F19-F153 HydrophobicContact CD1-CB 4.04Å; F19-F153 AromaticContact CD1-CD1 3.95Å; F19-F153 HydrophobicContact CD1-CD1 3.95Å; F19-F153 AromaticContact CD1-CG 3.98Å; F19-F153 HydrophobicContact CD1-CG 3.98Å; F19-F153 HydrophobicContact CE1-CB 3.97Å; F19-F153 HydrophobicContact CE1-CG 4.22Å; F19-F153 AromaticContact CG-CD1 3.96Å; F19-F153 HydrophobicContact CG-CD1 3.96Å; F19-F153 HydrophobicContact CG-CE1 4.13Å; F19-F153 HydrophobicContact CG-CG 4.22Å; F19-L158 HydrophobicContact CE1-CB 4.41Å |
| 20 | C | 98.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -57 | -49.7 | 173.7 | -178.9 | 0 | 0 | 0 | 0 | 111.7 | P16 A17 M22 I23 L24 L77 L107 A161 | P16-C20 WeakPolarHBondContact O-CB 3.29Å; P16-C20 PolarHBondContact O-N 3.45Å; A17-C20 WeakPolarHBondContact O-CB 3.24Å; A17-C20 PolarHBondContact O-N 3.34Å; C20-M22 VanDerWaalsContact C-N 3.34Å; C20-M22 PolarHBondContact O-N 3.07Å; C20-I23 PolarHBondContact O-N 2.89Å; C20-L24 WeakPolarHBondContact O-CG 3.19Å; C20-L24 PolarHBondContact O-N 3.42Å; C20-L24 VanDerWaalsContact O-N 3.15Å; C20-L77 HydrophobicContact CB-CD2 3.89Å; C20-L107 HydrophobicContact CB-CD2 4.21Å; C20-A161 PolarHBondContact SG-N 3.22Å |
| 21 | G | 98.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -62.6 | -38.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | E10 A17 P18 F19 L24 A25 | E10-G21 WeakPolarHBondContact OE2-CA 3.46Å; A17-G21 PolarHBondContact O-N 3Å; P18-G21 PolarHBondContact O-N 3.48Å; F19-G21 PolarHBondContact O-N 2.99Å; G21-L24 PolarHBondContact O-N 3.36Å; G21-A25 WeakPolarHBondContact O-CB 3.32Å; G21-A25 PolarHBondContact O-N 3.24Å |
| 22 | M | 98 | Very high | 96.7 | Very high | 12 Ų | 12 | 19.5 Ų | 19.5 | 6% | 0.059 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -62.9 | -43 | 176.7 | -174.7 | -174.5 | 69.7 | 0 | 0 | 111.3 | P18 F19 C20 L24 A25 D26 Q46 R48 | P18-M22 WeakPolarHBondContact O-CB 3.23Å; P18-M22 PolarHBondContact O-N 2.89Å; F19-M22 HydrophobicContact CD2-CE 3.73Å; F19-M22 HydrophobicContact CE2-CE 3.87Å; F19-M22 PolarHBondContact O-N 3.32Å; C20-M22 VanDerWaalsContact C-N 3.34Å; C20-M22 PolarHBondContact O-N 3.07Å; M22-L24 VanDerWaalsContact C-N 3.32Å; M22-L24 PolarHBondContact O-N 3.33Å; M22-A25 PolarHBondContact O-N 3.45Å; M22-D26 WeakPolarHBondContact O-CB 3.4Å; M22-D26 VanDerWaalsContact O-CG 3.27Å; M22-D26 PolarHBondContact O-N 3.03Å; M22-Q46 HydrophobicContact CB-CB 4.33Å; M22-Q46 HydrophobicContact SD-CB 4.23Å; M22-Q46 PolarHBondContact SD-OE1 2.96Å; M22-R48 HydrophobicContact CG-CG 3.82Å; M22-R48 HydrophobicContact SD-CG 3.89Å |
| 23 | I | 98.4 | Very high | 96.9 | Very high | 24 Ų | 24 | 18.5 Ų | 18.5 | 12% | 0.123 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -56.1 | -49.6 | 173.7 | -67.7 | 164.6 | 0 | 0 | 0 | 109.7 | F19 C20 A25 D26 F27 L158 A161 | F19-I23 HydrophobicContact CD1-CD1 4Å; F19-I23 HydrophobicContact CE1-CD1 3.62Å; F19-I23 HydrophobicContact CE1-CG1 4.5Å; F19-I23 HydrophobicContact CE2-CD1 4.39Å; F19-I23 HydrophobicContact CE2-CG1 4.44Å; F19-I23 HydrophobicContact CZ-CD1 3.83Å; F19-I23 HydrophobicContact CZ-CG1 4.3Å; F19-I23 WeakPolarHBondContact O-CG1 3.33Å; F19-I23 PolarHBondContact O-N 3.42Å; C20-I23 PolarHBondContact O-N 2.89Å; I23-A25 VanDerWaalsContact C-N 3.32Å; I23-A25 PolarHBondContact O-N 3.37Å; I23-D26 PolarHBondContact O-N 3.4Å; I23-F27 HydrophobicContact CG2-CD2 4.15Å; I23-F27 HydrophobicContact CG2-CE2 4.38Å; I23-F27 VanDerWaalsContact O-CD2 3.27Å; I23-F27 WeakPolarHBondContact O-CD2 3.49Å; I23-F27 PolarHBondContact O-N 2.76Å; I23-L158 HydrophobicContact CD1-CD1 4.07Å; I23-A161 HydrophobicContact CB-CB 4.28Å; I23-A161 HydrophobicContact CD1-CB 4.16Å; I23-A161 HydrophobicContact CG2-CB 4Å |
| 24 | L | 98.7 | Very high | 97.3 | Very high | 2 Ų | 2 | 17.4 Ų | 17.4 | 1% | 0.01 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -61.7 | -41 | -179.2 | -61.8 | 172.6 | 0 | 0 | 0 | 111.8 | L3 V8 C20 G21 M22 F27 G28 A29 V31 I164 I165 | L3-L24 HydrophobicContact CD1-CB 4.3Å; L3-L24 HydrophobicContact CD1-CD2 3.68Å; V8-L24 HydrophobicContact CG1-CD1 4.31Å; V8-L24 HydrophobicContact CG2-CD1 4.19Å; C20-L24 WeakPolarHBondContact O-CG 3.19Å; C20-L24 PolarHBondContact O-N 3.42Å; C20-L24 VanDerWaalsContact O-N 3.15Å; G21-L24 PolarHBondContact O-N 3.36Å; M22-L24 VanDerWaalsContact C-N 3.32Å; M22-L24 PolarHBondContact O-N 3.33Å; L24-F27 CarbonylContact O-C 3.52Å; L24-F27 PolarHBondContact O-N 3.49Å; L24-G28 PolarHBondContact O-N 3.32Å; L24-A29 HydrophobicContact CB-CB 3.97Å; L24-A29 VanDerWaalsContact O-CB 3.24Å; L24-A29 WeakPolarHBondContact O-CB 3.33Å; L24-A29 PolarHBondContact O-N 3.34Å; L24-V31 HydrophobicContact CB-CG2 4.07Å; L24-I164 HydrophobicContact CD1-CD1 3.88Å; L24-I164 HydrophobicContact CD1-CG2 4.27Å; L24-I164 HydrophobicContact CD2-CG2 4.2Å; L24-I165 HydrophobicContact CD2-CG1 4.42Å |
| 25 | A | 98.4 | Very high | 97.6 | Very high | 10 Ų | 10 | 12.2 Ų | 12.2 | 8% | 0.083 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -65.4 | -45.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | G21 M22 I23 F27 G28 V31 K50 | G21-A25 WeakPolarHBondContact O-CB 3.32Å; G21-A25 PolarHBondContact O-N 3.24Å; M22-A25 PolarHBondContact O-N 3.45Å; I23-A25 VanDerWaalsContact C-N 3.32Å; I23-A25 PolarHBondContact O-N 3.37Å; A25-F27 PolarHBondContact O-N 3.18Å; A25-F27 VanDerWaalsContact O-N 3.15Å; A25-G28 WeakPolarHBondContact O-CA 3.38Å; A25-G28 PolarHBondContact O-N 3.03Å; A25-V31 HydrophobicContact CB-CB 4.34Å; A25-V31 HydrophobicContact CB-CG2 3.89Å; A25-K50 HydrophobicContact CB-CG 4.47Å |
| 26 | D | 97.8 | Very high | 97.6 | Very high | 5 Ų | 5 | 18 Ų | 18 | 3% | 0.027 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -58.4 | -29.3 | 177.7 | -75.4 | -19 | 0 | 0 | 0 | 112.2 | M1 M22 I23 R48 P327 A336 E337 P338 | M1-D26 VanDerWaalsContact SD-O 3.39Å; M22-D26 WeakPolarHBondContact O-CB 3.4Å; M22-D26 VanDerWaalsContact O-CG 3.27Å; M22-D26 PolarHBondContact O-N 3.03Å; I23-D26 PolarHBondContact O-N 3.4Å; D26-R48 IonicContact OD1-CZ 2.94Å; D26-R48 IonicContact OD1-NE 3.76Å; D26-R48 PolarHBondContact OD1-NE 3.32Å; D26-R48 IonicContact OD1-NH2 2.81Å; D26-R48 IonicContact OD2-CZ 3.46Å; D26-R48 IonicContact OD2-NE 3.71Å; D26-R48 PolarHBondContact OD2-NE 2.79Å; D26-R48 IonicContact OD2-NH2 3.03Å; D26-R48 PolarHBondContact OD2-NH2 3.33Å; D26-P327 HydrophobicContact CB-CB 4.09Å; D26-P327 HydrophobicContact CB-CG 3.91Å; D26-P327 WeakPolarHBondContact OD2-CG 3.32Å; D26-A336 HydrophobicContact CB-CB 4.49Å; D26-A336 VanDerWaalsContact O-CA 3.29Å; D26-A336 WeakPolarHBondContact O-CA 3.43Å; D26-A336 VanDerWaalsContact O-CB 3.27Å; D26-A336 WeakPolarHBondContact O-CB 3.44Å; D26-E337 PolarHBondContact O-N 3.34Å; D26-E337 VanDerWaalsContact O-N 3.16Å; D26-P338 WeakPolarHBondContact OD1-CB 3.49Å |
| 27 | F | 98.4 | Very high | 97.3 | Very high | 22 Ų | 22 | 18.6 Ų | 18.6 | 10% | 0.096 | 9% | 0.087 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97 | 10.9 | 175.9 | -72.8 | -80.7 | 0 | 0 | 0 | 114 | M1 A2 L3 I23 L24 A25 L331 A336 | M1-F27 WeakPolarHBondContact CB-O 3.49Å; A2-F27 PolarHBondContact N-O 3.4Å; L3-F27 WeakPolarHBondContact CB-O 3.4Å; L3-F27 HydrophobicContact CD1-CB 3.95Å; L3-F27 HydrophobicContact CG-CB 4.25Å; L3-F27 PolarHBondContact N-O 2.69Å; I23-F27 HydrophobicContact CG2-CD2 4.15Å; I23-F27 HydrophobicContact CG2-CE2 4.38Å; I23-F27 VanDerWaalsContact O-CD2 3.27Å; I23-F27 WeakPolarHBondContact O-CD2 3.49Å; I23-F27 PolarHBondContact O-N 2.76Å; L24-F27 CarbonylContact O-C 3.52Å; L24-F27 PolarHBondContact O-N 3.49Å; A25-F27 PolarHBondContact O-N 3.18Å; A25-F27 VanDerWaalsContact O-N 3.15Å; F27-L331 HydrophobicContact CD1-CD1 4.09Å; F27-L331 HydrophobicContact CE1-CD1 3.78Å; F27-L331 HydrophobicContact CE1-CG 4.1Å; F27-A336 HydrophobicContact CD1-CB 3.95Å; F27-A336 HydrophobicContact CE1-CB 3.75Å; F27-A336 HydrophobicContact CE2-CB 4.35Å; F27-A336 HydrophobicContact CG-CB 4.35Å; F27-A336 HydrophobicContact CZ-CB 3.96Å |
| 28 | G | 98.1 | Very high | 96.7 | Very high | 10 Ų | 10 | 26.6 Ų | 26.6 | 10% | 0.103 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 101.5 | 7.5 | 164.6 | 0 | 0 | 0 | 0 | 0 | 116.7 | M1 L3 L4 L24 A25 | M1-G28 VanDerWaalsContact SD-CA 3.57Å; L3-G28 CarbonylContact C-O 3.4Å; L3-G28 CarbonylContact O-C 3.54Å; L4-G28 WeakPolarHBondContact CA-O 3.16Å; L24-G28 PolarHBondContact O-N 3.32Å; A25-G28 WeakPolarHBondContact O-CA 3.38Å; A25-G28 PolarHBondContact O-N 3.03Å |
| 29 | A | 98.7 | Very high | 95.8 | Very high | 7 Ų | 7 | 29.3 Ų | 29.3 | 6% | 0.058 | 14% | 0.138 | C | C | . | . | trans | -70.5 | 144.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | L3 V6 V8 L24 V31 | L3-A29 HydrophobicContact CB-CB 3.97Å; L3-A29 HydrophobicContact CD1-CB 4.31Å; V6-A29 HydrophobicContact CB-CB 4.21Å; V6-A29 HydrophobicContact CG1-CB 4.39Å; V8-A29 HydrophobicContact CG2-CB 4.06Å; L24-A29 HydrophobicContact CB-CB 3.97Å; L24-A29 VanDerWaalsContact O-CB 3.24Å; L24-A29 WeakPolarHBondContact O-CB 3.33Å; L24-A29 PolarHBondContact O-N 3.34Å; A29-V31 HydrophobicContact CB-CG2 4.1Å; A29-V31 PolarHBondContact O-N 3.18Å | ||
| 30 | K | 98.6 | Very high | 94.4 | Very high | 67 Ų | 67 | 35.3 Ų | 35.3 | 29% | 0.291 | 17% | 0.165 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 98.9 | 168.6 | -175.2 | 175.9 | -175.1 | 172.7 | 0 | 108.5 | V6 V8 D356 | V6-K30 PolarHBondContact O-N 2.89Å; V8-K30 PolarHBondContact N-O 3.38Å; K30-D356 IonicContact NZ-OD2 3.01Å; K30-D356 PolarHBondContact NZ-OD2 2.9Å |
| 31 | V | 98.8 | Very high | 92.9 | Very high | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.006 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 120.8 | -178.7 | -176 | 0 | 0 | 0 | 0 | 110.2 | V8 E10 L24 A25 A29 K50 Q51 | V8-V31 HydrophobicContact CB-CB 4.48Å; V8-V31 HydrophobicContact CB-CG1 4.44Å; V8-V31 HydrophobicContact CB-CG2 4.08Å; V8-V31 HydrophobicContact CG1-CG1 4.46Å; V8-V31 HydrophobicContact CG2-CG2 4.25Å; E10-V31 HydrophobicContact CB-CG1 4.05Å; E10-V31 WeakPolarHBondContact OE2-CG1 3.43Å; L24-V31 HydrophobicContact CB-CG2 4.07Å; A25-V31 HydrophobicContact CB-CB 4.34Å; A25-V31 HydrophobicContact CB-CG2 3.89Å; A29-V31 HydrophobicContact CB-CG2 4.1Å; A29-V31 PolarHBondContact O-N 3.18Å; V31-K50 HydrophobicContact CB-CG 4.09Å; V31-K50 HydrophobicContact CG1-CD 4.05Å; V31-K50 HydrophobicContact CG1-CG 4Å; V31-K50 WeakPolarHBondContact O-CA 3.38Å; V31-Q51 PolarHBondContact O-N 3.41Å |
| 32 | I | 98.6 | Very high | 91.7 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 106.9 | 179.1 | -60.5 | 161.3 | 0 | 0 | 0 | 107.7 | V8 I9 E10 Q51 V53 V353 Y357 | V8-I32 PolarHBondContact O-N 3.21Å; I9-I32 HydrophobicContact CD1-CB 4.03Å; I9-I32 HydrophobicContact CD1-CD1 4.1Å; I9-I32 HydrophobicContact CD1-CG2 4.36Å; E10-I32 PolarHBondContact N-O 2.85Å; I32-Q51 CarbonylContact C-O 3.59Å; I32-Q51 HydrophobicContact CG1-CB 4.39Å; I32-V53 HydrophobicContact CG2-CB 4.41Å; I32-V53 HydrophobicContact CG2-CG2 3.71Å; I32-V353 HydrophobicContact CD1-CG1 3.82Å; I32-V353 HydrophobicContact CD1-CG2 4.48Å; I32-V353 HydrophobicContact CG1-CG1 4.4Å; I32-V353 HydrophobicContact CG1-CG2 4.35Å; I32-V353 HydrophobicContact CG2-CG1 4.05Å; I32-V353 HydrophobicContact CG2-CG2 4.37Å; I32-Y357 HydrophobicContact CD1-CE2 3.62Å |
| 33 | R | 97.9 | Very high | 90.6 | Very high | 3 Ų | 3 | 48.5 Ų | 48.5 | 1% | 0.011 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 123 | 173.1 | -168 | 179.9 | 71.3 | -153.3 | -10.4 | 109.6 | E10 A12 D35 D44 Q51 S52 V53 P344 | E10-R33 CarbonylContact O-C 3.26Å; E10-R33 WeakPolarHBondContact O-CA 3.38Å; A12-R33 HydrophobicContact CB-CG 4.43Å; R33-D35 IonicContact CZ-OD1 3.43Å; R33-D35 IonicContact CZ-OD2 3.32Å; R33-D35 IonicContact NE-OD1 3.81Å; R33-D35 PolarHBondContact NE-OD1 2.57Å; R33-D35 IonicContact NE-OD2 3.07Å; R33-D35 PolarHBondContact NE-OD2 3.47Å; R33-D35 IonicContact NH2-OD1 3.02Å; R33-D35 IonicContact NH2-OD2 3.21Å; R33-D35 PolarHBondContact NH2-OD2 3.02Å; R33-D35 PolarHBondContact O-N 2.88Å; R33-D44 IonicContact CZ-OD2 2.57Å; R33-D44 IonicContact NH1-OD2 2.94Å; R33-D44 PolarHBondContact NH1-OD2 3.1Å; R33-Q51 PolarHBondContact N-O 3.01Å; R33-S52 WeakPolarHBondContact O-CA 3.42Å; R33-V53 PolarHBondContact O-N 3.38Å; R33-P344 PolarHBondContact NH2-O 3.08Å |
| 34 | V | 97.4 | Very high | 89.8 | Confident | 3 Ų | 3 | 48.2 Ų | 48.2 | 2% | 0.018 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 102.2 | 174.2 | 178.3 | 0 | 0 | 0 | 0 | 108.4 | I9 E10 L11 A12 V53 L55 L66 | I9-V34 HydrophobicContact CG2-CG2 3.73Å; E10-V34 PolarHBondContact O-N 3.23Å; L11-V34 HydrophobicContact CD1-CB 4.12Å; L11-V34 HydrophobicContact CD1-CG1 4.34Å; A12-V34 VanDerWaalsContact CB-O 3.26Å; A12-V34 WeakPolarHBondContact CB-O 3.49Å; A12-V34 PolarHBondContact N-O 3.49Å; A12-V34 VanDerWaalsContact N-O 3.11Å; V34-V53 CarbonylContact C-O 3.57Å; V34-V53 WeakPolarHBondContact CA-O 3.14Å; V34-L55 HydrophobicContact CG1-CB 4.14Å; V34-L55 HydrophobicContact CG1-CD1 3.71Å; V34-L55 HydrophobicContact CG1-CG 3.96Å; V34-L66 HydrophobicContact CG1-CD1 4.25Å; V34-L66 HydrophobicContact CG2-CD1 3.9Å |
| 35 | D | 95.1 | Very high | 89.3 | Confident | 10 Ų | 10 | 53.3 Ų | 53.3 | 5% | 0.053 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 158.6 | 176.1 | -73.4 | -59.4 | 0 | 0 | 0 | 111 | R33 S52 V53 A54 L55 V346 | R33-D35 IonicContact CZ-OD1 3.43Å; R33-D35 IonicContact CZ-OD2 3.32Å; R33-D35 IonicContact NE-OD1 3.81Å; R33-D35 PolarHBondContact NE-OD1 2.57Å; R33-D35 IonicContact NE-OD2 3.07Å; R33-D35 PolarHBondContact NE-OD2 3.47Å; R33-D35 IonicContact NH2-OD1 3.02Å; R33-D35 IonicContact NH2-OD2 3.21Å; R33-D35 PolarHBondContact NH2-OD2 3.02Å; R33-D35 PolarHBondContact O-N 2.88Å; D35-S52 WeakPolarHBondContact OD2-CB 3.36Å; D35-S52 PolarHBondContact OD2-OG 3.36Å; D35-V53 PolarHBondContact N-O 3.15Å; D35-A54 CarbonylContact O-C 3.56Å; D35-A54 WeakPolarHBondContact O-CA 3.49Å; D35-L55 PolarHBondContact O-N 3.19Å; D35-V346 HydrophobicContact CB-CG1 3.7Å; D35-V346 HydrophobicContact CB-CG2 4.36Å |
| 36 | R | 92.2 | Very high | 89.1 | Confident | 152 Ų | 152 | 54.7 Ų | 54.7 | 57% | 0.574 | 28% | 0.284 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 142.7 | 171.9 | -64.3 | -179 | -176.4 | 176.5 | 1.6 | 109.7 | V39 | R36-V39 HydrophobicContact CB-CG2 4.14Å |
| 37 | T | 90.5 | Very high | 88.9 | Confident | 21 Ų | 21 | 54.5 Ų | 54.5 | 13% | 0.129 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | 158.8 | 168.1 | 57.1 | 0 | 0 | 0 | 0 | 111.5 | V39 A54 L55 N56 Q374 | T37-V39 PolarHBondContact O-N 2.93Å; T37-A54 HydrophobicContact CG2-CB 4.34Å; T37-L55 PolarHBondContact N-O 3.06Å; T37-N56 HydrophobicContact CG2-CB 4.11Å; T37-Q374 HydrophobicContact CG2-CB 3.73Å |
| 38 | K | 83 | Confident | 88.7 | Confident | 168 Ų | 168 | 54.6 Ų | 54.6 | 73% | 0.73 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.4 | 19.9 | -179 | -51 | 178 | -179.7 | -178.4 | 0 | 114.2 | ||
| 39 | V | 79.4 | Confident | 88.6 | Confident | 58 Ų | 58 | 55.9 Ų | 55.9 | 35% | 0.352 | 30% | 0.296 | S | S | . | . | trans | -104.1 | 119.9 | 166.1 | -178.2 | 0 | 0 | 0 | 0 | 107.2 | R36 T37 S41 V346 | R36-V39 HydrophobicContact CB-CG2 4.14Å; T37-V39 PolarHBondContact O-N 2.93Å; V39-S41 WeakPolarHBondContact CG1-O 3.33Å; V39-V346 HydrophobicContact CG1-CG2 4.24Å; V39-V346 WeakPolarHBondContact O-CB 3.22Å; V39-V346 VanDerWaalsContact O-CG1 3.28Å; V39-V346 WeakPolarHBondContact O-CG1 3.32Å | ||
| 40 | F | 68.1 | Low | 88.5 | Confident | 167 Ų | 167 | 56 Ų | 56 | 73% | 0.732 | 30% | 0.295 | S | S | * | . | trans | -105.3 | -12.7 | -174.1 | -62.8 | -78.2 | 0 | 0 | 0 | 113.5 | ||||
| 41 | S | 67.5 | Low | 88.4 | Confident | 98 Ų | 98 | 54 Ų | 54 | 69% | 0.685 | 29% | 0.287 | S | S | * | . | trans | -145.7 | 136.6 | 175.9 | 58.9 | 0 | 0 | 0 | 0 | 109.2 | V39 | V39-S41 WeakPolarHBondContact CG1-O 3.33Š| ||
| 42 | T | 71.6 | Confident | 88.4 | Confident | 59 Ų | 59 | 54 Ų | 54 | 36% | 0.362 | 29% | 0.287 | S | S | . | . | trans | -103.6 | 147.3 | 170 | -173.7 | 0 | 0 | 0 | 0 | 109.6 | D44 | T42-D44 VanDerWaalsContact C-N 3.28Å; T42-D44 HydrophobicContact CG2-CB 4.15Å; T42-D44 WeakPolarHBondContact OG1-CB 3.31Å; T42-D44 PolarHBondContact OG1-N 3.31Å | ||
| 43 | V | 75 | Confident | 88.3 | Confident | 131 Ų | 131 | 54 Ų | 54 | 79% | 0.794 | 29% | 0.287 | S | S | * | . | trans | -91.9 | 3 | 167.5 | -64.9 | 0 | 0 | 0 | 0 | 111.5 | T45 | V43-T45 PolarHBondContact O-N 3.22Š| ||
| 44 | D | 83.1 | Confident | 88.2 | Confident | 19 Ų | 19 | 53.8 Ų | 53.8 | 10% | 0.102 | 29% | 0.286 | C | S | . | . | trans | -72 | 114.6 | 174.1 | -179.2 | 17 | 0 | 0 | 0 | 110.2 | P18 R33 T42 Q46 | P18-D44 WeakPolarHBondContact CB-OD1 3.15Å; P18-D44 WeakPolarHBondContact CB-OD2 3.28Å; R33-D44 IonicContact CZ-OD2 2.57Å; R33-D44 IonicContact NH1-OD2 2.94Å; R33-D44 PolarHBondContact NH1-OD2 3.1Å; T42-D44 VanDerWaalsContact C-N 3.28Å; T42-D44 HydrophobicContact CG2-CB 4.15Å; T42-D44 WeakPolarHBondContact OG1-CB 3.31Å; T42-D44 PolarHBondContact OG1-N 3.31Å; D44-Q46 WeakPolarHBondContact OD1-CA 3.4Å; D44-Q46 WeakPolarHBondContact OD1-CB 3.36Å; D44-Q46 PolarHBondContact OD1-N 3.18Å | ||
| 45 | T | 87.9 | Confident | 88.2 | Confident | 108 Ų | 108 | 53.7 Ų | 53.7 | 66% | 0.663 | 29% | 0.286 | S | S | * | . | trans | -102.2 | 13.6 | 175.8 | 58.6 | 0 | 0 | 0 | 0 | 112.7 | V43 D343 | V43-T45 PolarHBondContact O-N 3.22Å; T45-D343 WeakPolarHBondContact CA-OD2 3.5Å | ||
| 46 | Q | 94.1 | Very high | 88.3 | Confident | 40 Ų | 40 | 54.7 Ų | 54.7 | 19% | 0.187 | 29% | 0.291 | C | S | . | . | trans | -113.2 | 35.4 | 177.8 | -48.6 | -62.3 | -28 | 0 | 0 | 109.8 | P18 M22 D44 K50 | P18-Q46 HydrophobicContact CB-CB 3.74Å; P18-Q46 HydrophobicContact CB-CG 4.38Å; M22-Q46 HydrophobicContact CB-CB 4.33Å; M22-Q46 HydrophobicContact SD-CB 4.23Å; M22-Q46 PolarHBondContact SD-OE1 2.96Å; D44-Q46 WeakPolarHBondContact OD1-CA 3.4Å; D44-Q46 WeakPolarHBondContact OD1-CB 3.36Å; D44-Q46 PolarHBondContact OD1-N 3.18Å; Q46-K50 WeakPolarHBondContact O-CE 3.4Å; Q46-K50 PolarHBondContact O-NZ 3.47Å | ||
| 47 | G | 93.6 | Very high | 88.4 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 27% | 0.271 | C | S | . | . | trans | -88.4 | -15.5 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | G49 K50 D343 P344 | G47-G49 PolarHBondContact O-N 3.41Å; G47-K50 VanDerWaalsContact O-CB 3.27Å; G47-K50 WeakPolarHBondContact O-CB 3.49Å; G47-K50 WeakPolarHBondContact O-CG 3.49Å; G47-K50 PolarHBondContact O-N 2.91Å; G47-K50 VanDerWaalsContact O-N 3.12Å; G47-D343 VanDerWaalsContact C-OD1 3.31Å; G47-D343 VanDerWaalsContact CA-CG 3.49Å; G47-D343 WeakPolarHBondContact CA-OD2 3.45Å; G47-D343 PolarHBondContact N-OD1 3.29Å; G47-D343 PolarHBondContact N-OD2 3.49Å; G47-P344 WeakPolarHBondContact O-CD 3.38Å | ||
| 48 | R | 94.1 | Very high | 88.6 | Confident | 25 Ų | 25 | 57.2 Ų | 57.2 | 9% | 0.094 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54 | 139.4 | -171.5 | 73.6 | 174.6 | -174.8 | -140.8 | -3.8 | 112.7 | M22 D26 K50 D343 | M22-R48 HydrophobicContact CG-CG 3.82Å; M22-R48 HydrophobicContact SD-CG 3.89Å; D26-R48 IonicContact OD1-CZ 2.94Å; D26-R48 IonicContact OD1-NE 3.76Å; D26-R48 PolarHBondContact OD1-NE 3.32Å; D26-R48 IonicContact OD1-NH2 2.81Å; D26-R48 IonicContact OD2-CZ 3.46Å; D26-R48 IonicContact OD2-NE 3.71Å; D26-R48 PolarHBondContact OD2-NE 2.79Å; D26-R48 IonicContact OD2-NH2 3.03Å; D26-R48 PolarHBondContact OD2-NH2 3.33Å; R48-K50 PolarHBondContact O-N 2.83Å; R48-K50 VanDerWaalsContact O-N 3.14Å; R48-D343 WeakPolarHBondContact CA-OD1 3.49Å; R48-D343 PolarHBondContact N-OD1 2.97Å |
| 49 | G | 94.9 | Very high | 89.2 | Confident | 37 Ų | 37 | 50.8 Ų | 50.8 | 38% | 0.381 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.9 | -2.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | G47 C339 | G47-G49 PolarHBondContact O-N 3.41Å; G49-C339 VanDerWaalsContact CA-CB 3.45Å |
| 50 | K | 97.4 | Very high | 90 | Very high | 8 Ų | 8 | 52.7 Ų | 52.7 | 4% | 0.035 | 29% | 0.294 | C | S | . | . | trans | -90.8 | 158.5 | 175.7 | -52.3 | -178.4 | -173.6 | 177.5 | 0 | 111.6 | E10 P18 A25 V31 Q46 G47 R48 P344 | E10-K50 VanDerWaalsContact CD-NZ 3.33Å; E10-K50 IonicContact OE1-NZ 2.73Å; E10-K50 PolarHBondContact OE1-NZ 2.99Å; E10-K50 VanDerWaalsContact OE2-CE 3.26Å; E10-K50 WeakPolarHBondContact OE2-CE 3.47Å; E10-K50 IonicContact OE2-NZ 3.06Å; E10-K50 PolarHBondContact OE2-NZ 3.25Å; P18-K50 PolarHBondContact O-NZ 3.05Å; A25-K50 HydrophobicContact CB-CG 4.47Å; V31-K50 HydrophobicContact CB-CG 4.09Å; V31-K50 HydrophobicContact CG1-CD 4.05Å; V31-K50 HydrophobicContact CG1-CG 4Å; V31-K50 WeakPolarHBondContact O-CA 3.38Å; Q46-K50 WeakPolarHBondContact O-CE 3.4Å; Q46-K50 PolarHBondContact O-NZ 3.47Å; G47-K50 VanDerWaalsContact O-CB 3.27Å; G47-K50 WeakPolarHBondContact O-CB 3.49Å; G47-K50 WeakPolarHBondContact O-CG 3.49Å; G47-K50 PolarHBondContact O-N 2.91Å; G47-K50 VanDerWaalsContact O-N 3.12Å; R48-K50 PolarHBondContact O-N 2.83Å; R48-K50 VanDerWaalsContact O-N 3.14Å; K50-P344 HydrophobicContact CB-CG 4.46Å; K50-P344 WeakPolarHBondContact O-CG 3.36Å | ||
| 51 | Q | 97.3 | Very high | 91.4 | Very high | 26 Ų | 26 | 50.1 Ų | 50.1 | 12% | 0.121 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 151.6 | 163.4 | -68 | -179.8 | -50.8 | 0 | 0 | 109.7 | V31 I32 R33 H349 E352 V353 | V31-Q51 PolarHBondContact O-N 3.41Å; I32-Q51 CarbonylContact C-O 3.59Å; I32-Q51 HydrophobicContact CG1-CB 4.39Å; R33-Q51 PolarHBondContact N-O 3.01Å; Q51-H349 HydrophobicContact CB-CB 3.83Å; Q51-H349 HydrophobicContact CG-CB 4.2Å; Q51-E352 PolarHBondContact NE2-OE1 3Å; Q51-V353 HydrophobicContact CB-CG2 4.03Å |
| 52 | S | 96.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 128.6 | 177.1 | 171.2 | 0 | 0 | 0 | 0 | 111 | R33 D35 A345 V346 G347 H349 T350 | R33-S52 WeakPolarHBondContact O-CA 3.42Å; D35-S52 WeakPolarHBondContact OD2-CB 3.36Å; D35-S52 PolarHBondContact OD2-OG 3.36Å; S52-A345 WeakPolarHBondContact CB-O 3.42Å; S52-A345 PolarHBondContact OG-O 2.91Å; S52-V346 WeakPolarHBondContact OG-CA 3.45Å; S52-G347 PolarHBondContact OG-N 2.93Å; S52-H349 PolarHBondContact N-ND1 3.32Å; S52-H349 CarbonylContact O-C 3.57Å; S52-H349 WeakPolarHBondContact O-CA 3.21Å; S52-H349 WeakPolarHBondContact O-CB 3.27Å; S52-H349 PolarHBondContact O-N 2.62Å; S52-T350 PolarHBondContact O-N 2.73Å |
| 53 | V | 97.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 125.4 | 171.2 | -179.9 | 0 | 0 | 0 | 0 | 108.6 | I32 R33 V34 D35 L55 T350 V353 | I32-V53 HydrophobicContact CG2-CB 4.41Å; I32-V53 HydrophobicContact CG2-CG2 3.71Å; R33-V53 PolarHBondContact O-N 3.38Å; V34-V53 CarbonylContact C-O 3.57Å; V34-V53 WeakPolarHBondContact CA-O 3.14Å; D35-V53 PolarHBondContact N-O 3.15Å; V53-L55 HydrophobicContact CG1-CD2 3.59Å; V53-L55 HydrophobicContact CG1-CG 3.91Å; V53-T350 HydrophobicContact CG1-CG2 4.4Å; V53-V353 HydrophobicContact CG2-CB 3.5Å; V53-V353 HydrophobicContact CG2-CG1 3.58Å; V53-V353 HydrophobicContact CG2-CG2 3.72Å |
| 54 | A | 96.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 116.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | D35 T37 V346 T350 V373 Q374 | D35-A54 CarbonylContact O-C 3.56Å; D35-A54 WeakPolarHBondContact O-CA 3.49Å; T37-A54 HydrophobicContact CG2-CB 4.34Å; A54-V346 HydrophobicContact CB-CG1 3.86Å; A54-T350 PolarHBondContact N-OG1 2.82Å; A54-V373 CarbonylContact O-C 3.57Å; A54-V373 VanDerWaalsContact O-CA 3.24Å; A54-V373 WeakPolarHBondContact O-CA 3.35Å; A54-Q374 HydrophobicContact CB-CB 3.98Å; A54-Q374 PolarHBondContact O-N 2.96Å |
| 55 | L | 96.8 | Very high | 95.9 | Very high | 1 Ų | 1 | 39.7 Ų | 39.7 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 144.1 | -176.1 | -59.9 | -172.4 | 0 | 0 | 0 | 112.7 | V34 D35 T37 V53 L57 L65 L66 L69 V373 | V34-L55 HydrophobicContact CG1-CB 4.14Å; V34-L55 HydrophobicContact CG1-CD1 3.71Å; V34-L55 HydrophobicContact CG1-CG 3.96Å; D35-L55 PolarHBondContact O-N 3.19Å; T37-L55 PolarHBondContact N-O 3.06Å; V53-L55 HydrophobicContact CG1-CD2 3.59Å; V53-L55 HydrophobicContact CG1-CG 3.91Å; L55-L57 HydrophobicContact CB-CD2 4.11Å; L55-L57 PolarHBondContact O-N 2.88Å; L55-L65 HydrophobicContact CD1-CD2 4.49Å; L55-L65 HydrophobicContact CD1-CG 4.31Å; L55-L65 HydrophobicContact CD2-CD2 3.41Å; L55-L65 VanDerWaalsContact CD2-CD2 3.41Å; L55-L65 HydrophobicContact CD2-CG 4.09Å; L55-L66 HydrophobicContact CD1-CB 4.08Å; L55-L66 HydrophobicContact CD1-CD1 4.46Å; L55-L69 HydrophobicContact CD1-CD1 4.14Å; L55-V373 HydrophobicContact CD2-CB 4.3Å; L55-V373 HydrophobicContact CD2-CG1 3.48Å; L55-V373 VanDerWaalsContact CD2-CG1 3.48Å |
| 56 | N | 96.4 | Very high | 96.4 | Very high | 31 Ų | 31 | 34.5 Ų | 34.5 | 17% | 0.166 | 19% | 0.191 | C | C | . | . | trans | -95.8 | 85.7 | 174.1 | -174.4 | 1.5 | 0 | 0 | 0 | 111.2 | T37 K58 T59 G371 V372 | T37-N56 HydrophobicContact CG2-CB 4.11Å; N56-K58 PolarHBondContact O-N 3.27Å; N56-K58 WeakPolarHBondContact OD1-CB 3.39Å; N56-K58 PolarHBondContact OD1-N 2.84Å; N56-T59 PolarHBondContact O-N 3.47Å; N56-T59 VanDerWaalsContact O-N 3.17Å; N56-T59 PolarHBondContact O-OG1 2.86Å; N56-G371 VanDerWaalsContact CB-O 3.31Å; N56-G371 WeakPolarHBondContact CB-O 3.15Å; N56-G371 PolarHBondContact ND2-O 2.86Å; N56-V372 WeakPolarHBondContact CB-O 3.18Å; N56-V372 PolarHBondContact N-O 3.27Å | ||
| 57 | L | 95.3 | Very high | 96.6 | Very high | 30 Ų | 30 | 36.4 Ų | 36.4 | 16% | 0.157 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | 7.5 | -179.9 | -54.8 | -177.7 | 0 | 0 | 0 | 114.5 | L55 L66 | L55-L57 HydrophobicContact CB-CD2 4.11Å; L55-L57 PolarHBondContact O-N 2.88Å; L57-L66 HydrophobicContact CD1-CD2 3.89Å; L57-L66 HydrophobicContact CD2-CB 3.96Å; L57-L66 HydrophobicContact CD2-CD2 3.65Å; L57-L66 HydrophobicContact CD2-CG 4.45Å; L57-L66 HydrophobicContact CG-CD2 4.44Å |
| 58 | K | 93.8 | Very high | 96.8 | Very high | 196 Ų | 196 | 40.3 Ų | 40.3 | 85% | 0.852 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.9 | -8.3 | 170 | -60.5 | -179.8 | 176.4 | 179.8 | 0 | 112.7 | N56 | N56-K58 PolarHBondContact O-N 3.27Å; N56-K58 WeakPolarHBondContact OD1-CB 3.39Å; N56-K58 PolarHBondContact OD1-N 2.84Å |
| 59 | T | 95.8 | Very high | 97 | Very high | 32 Ų | 32 | 39.1 Ų | 39.1 | 20% | 0.196 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -107 | 143.3 | 180 | 61.6 | 0 | 0 | 0 | 0 | 110.2 | N56 E61 G62 V63 | N56-T59 PolarHBondContact O-N 3.47Å; N56-T59 VanDerWaalsContact O-N 3.17Å; N56-T59 PolarHBondContact O-OG1 2.86Å; T59-E61 WeakPolarHBondContact CB-OE2 3.48Å; T59-E61 PolarHBondContact O-N 3.07Å; T59-G62 PolarHBondContact O-N 3.49Å; T59-G62 PolarHBondContact OG1-N 3.31Å; T59-V63 WeakPolarHBondContact O-CG2 3.44Å; T59-V63 PolarHBondContact O-N 3.28Å; T59-V63 VanDerWaalsContact O-N 3.11Å |
| 60 | P | 96.8 | Very high | 97.2 | Very high | 99 Ų | 99 | 37.4 Ų | 37.4 | 64% | 0.643 | 19% | 0.189 | S | C | * | . | H | α-helix | trans | -54.2 | -38 | 172.2 | -26.2 | 35.2 | 0 | 0 | 0 | 112.9 | V63 A64 | P60-V63 PolarHBondContact O-N 3.23Å; P60-A64 WeakPolarHBondContact O-CB 3.45Å; P60-A64 PolarHBondContact O-N 2.84Å |
| 61 | E | 97.1 | Very high | 97.2 | Very high | 113 Ų | 113 | 38.7 Ų | 38.7 | 53% | 0.528 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -65.3 | -43.2 | 179.4 | -61.4 | 72.9 | -159.2 | 0 | 0 | 111.3 | T59 V63 A64 L65 V372 | T59-E61 WeakPolarHBondContact CB-OE2 3.48Å; T59-E61 PolarHBondContact O-N 3.07Å; E61-V63 VanDerWaalsContact C-N 3.35Å; E61-V63 PolarHBondContact O-N 3.23Å; E61-A64 PolarHBondContact O-N 3.33Å; E61-L65 WeakPolarHBondContact O-CB 3.43Å; E61-L65 PolarHBondContact O-N 3.17Å; E61-V372 HydrophobicContact CB-CG1 4.07Å; E61-V372 HydrophobicContact CB-CG2 3.8Å; E61-V372 HydrophobicContact CG-CG2 4.5Å |
| 62 | G | 97.5 | Very high | 97.2 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -65.9 | -36.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113 | T59 L66 | T59-G62 PolarHBondContact O-N 3.49Å; T59-G62 PolarHBondContact OG1-N 3.31Å; G62-L66 PolarHBondContact O-N 2.85Å |
| 63 | V | 97.9 | Very high | 97.3 | Very high | 25 Ų | 25 | 41.9 Ų | 41.9 | 15% | 0.152 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -67.2 | -44 | 173.6 | 172.2 | 0 | 0 | 0 | 0 | 111 | T59 P60 E61 L65 L66 R67 L88 L90 | T59-V63 WeakPolarHBondContact O-CG2 3.44Å; T59-V63 PolarHBondContact O-N 3.28Å; T59-V63 VanDerWaalsContact O-N 3.11Å; P60-V63 PolarHBondContact O-N 3.23Å; E61-V63 VanDerWaalsContact C-N 3.35Å; E61-V63 PolarHBondContact O-N 3.23Å; V63-L65 VanDerWaalsContact C-N 3.34Å; V63-L65 PolarHBondContact O-N 3.01Å; V63-L66 PolarHBondContact O-N 3.36Å; V63-R67 PolarHBondContact O-N 2.79Å; V63-L88 WeakPolarHBondContact CG1-O 3.32Å; V63-L88 HydrophobicContact CG2-CD2 4.25Å; V63-L90 HydrophobicContact CG1-CD1 4.18Å; V63-L90 HydrophobicContact CG1-CD2 4.31Å; V63-L90 HydrophobicContact CG1-CG 4.17Å |
| 64 | A | 97.8 | Very high | 97.4 | Very high | 59 Ų | 59 | 43.6 Ų | 43.6 | 49% | 0.488 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -63.3 | -39.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112 | P60 E61 R67 R68 | P60-A64 WeakPolarHBondContact O-CB 3.45Å; P60-A64 PolarHBondContact O-N 2.84Å; E61-A64 PolarHBondContact O-N 3.33Å; A64-R67 WeakPolarHBondContact O-CB 3.44Å; A64-R67 PolarHBondContact O-N 2.83Å; A64-R68 PolarHBondContact O-N 2.79Å |
| 65 | L | 98.2 | Very high | 97.5 | Very high | 3 Ų | 3 | 43.6 Ų | 43.6 | 2% | 0.016 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.7 | -50.5 | 174 | 171.3 | 54.3 | 0 | 0 | 0 | 111.2 | L55 E61 V63 R67 R68 L69 L354 Y359 M367 V372 V373 | L55-L65 HydrophobicContact CD1-CD2 4.49Å; L55-L65 HydrophobicContact CD1-CG 4.31Å; L55-L65 HydrophobicContact CD2-CD2 3.41Å; L55-L65 VanDerWaalsContact CD2-CD2 3.41Å; L55-L65 HydrophobicContact CD2-CG 4.09Å; E61-L65 WeakPolarHBondContact O-CB 3.43Å; E61-L65 PolarHBondContact O-N 3.17Å; V63-L65 VanDerWaalsContact C-N 3.34Å; V63-L65 PolarHBondContact O-N 3.01Å; L65-R67 VanDerWaalsContact C-N 3.29Å; L65-R67 PolarHBondContact O-N 2.81Å; L65-R68 PolarHBondContact O-N 3.18Å; L65-R68 VanDerWaalsContact O-N 3.13Å; L65-L69 HydrophobicContact CD1-CD2 4.42Å; L65-L69 HydrophobicContact CD1-CG 4.22Å; L65-L69 WeakPolarHBondContact O-CG 3.26Å; L65-L69 PolarHBondContact O-N 2.9Å; L65-L354 HydrophobicContact CD1-CD2 3.55Å; L65-L354 HydrophobicContact CD2-CD2 4Å; L65-L354 HydrophobicContact CG-CD2 4.35Å; L65-Y359 HydrophobicContact CD1-CE2 3.55Å; L65-Y359 WeakPolarHBondContact CD1-OH 3.4Å; L65-M367 HydrophobicContact CD2-SD 3.84Å; L65-V372 HydrophobicContact CD2-CG1 4.45Å; L65-V373 HydrophobicContact CD2-CG1 3.43Å; L65-V373 VanDerWaalsContact CD2-CG1 3.43Å |
| 66 | L | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -58.2 | -42 | 176.5 | 177.6 | 57.3 | 0 | 0 | 0 | 111.7 | I9 L11 V34 L55 L57 G62 V63 R68 L69 C70 L90 | I9-L66 HydrophobicContact CG2-CD1 4.03Å; L11-L66 HydrophobicContact CD1-CD1 4.1Å; L11-L66 HydrophobicContact CD1-CD2 3.82Å; V34-L66 HydrophobicContact CG1-CD1 4.25Å; V34-L66 HydrophobicContact CG2-CD1 3.9Å; L55-L66 HydrophobicContact CD1-CB 4.08Å; L55-L66 HydrophobicContact CD1-CD1 4.46Å; L57-L66 HydrophobicContact CD1-CD2 3.89Å; L57-L66 HydrophobicContact CD2-CB 3.96Å; L57-L66 HydrophobicContact CD2-CD2 3.65Å; L57-L66 HydrophobicContact CD2-CG 4.45Å; L57-L66 HydrophobicContact CG-CD2 4.44Å; G62-L66 PolarHBondContact O-N 2.85Å; V63-L66 PolarHBondContact O-N 3.36Å; L66-R68 VanDerWaalsContact C-N 3.34Å; L66-R68 PolarHBondContact O-N 2.95Å; L66-L69 PolarHBondContact O-N 2.78Å; L66-C70 PolarHBondContact O-N 2.89Å; L66-C70 PolarHBondContact O-SG 3.02Å; L66-L90 HydrophobicContact CB-CD1 4.21Å; L66-L90 HydrophobicContact CD2-CD1 3.43Å; L66-L90 VanDerWaalsContact CD2-CD1 3.43Å; L66-L90 HydrophobicContact CG-CD1 3.8Å |
| 67 | R | 98.4 | Very high | 97.7 | Very high | 80 Ų | 80 | 42 Ų | 42 | 30% | 0.302 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -53.8 | -50.9 | 174.2 | -173.8 | -179.8 | -76.1 | -152.1 | 3.2 | 111.4 | V63 A64 L65 L69 C70 V71 G89 L90 L95 E98 | V63-R67 PolarHBondContact O-N 2.79Å; A64-R67 WeakPolarHBondContact O-CB 3.44Å; A64-R67 PolarHBondContact O-N 2.83Å; L65-R67 VanDerWaalsContact C-N 3.29Å; L65-R67 PolarHBondContact O-N 2.81Å; R67-L69 VanDerWaalsContact C-N 3.32Å; R67-L69 PolarHBondContact O-N 3.49Å; R67-C70 WeakPolarHBondContact O-CB 3.37Å; R67-C70 PolarHBondContact O-N 2.84Å; R67-V71 HydrophobicContact CG-CG2 4.27Å; R67-V71 WeakPolarHBondContact O-CG2 3.18Å; R67-V71 PolarHBondContact O-N 3.41Å; R67-G89 PolarHBondContact NH2-O 3.34Å; R67-L90 HydrophobicContact CB-CD2 3.56Å; R67-L90 HydrophobicContact CG-CD2 4.05Å; R67-L95 HydrophobicContact CG-CD2 3.96Å; R67-E98 WeakPolarHBondContact CD-OE1 3.17Å; R67-E98 IonicContact CZ-OE1 3.36Å; R67-E98 IonicContact NE-OE1 2.82Å; R67-E98 IonicContact NH1-OE1 2.7Å; R67-E98 PolarHBondContact NH1-OE1 2.84Å |
| 68 | R | 98 | Very high | 97.8 | Very high | 82 Ų | 82 | 40.7 Ų | 40.7 | 31% | 0.309 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -60.6 | -41.4 | 179.6 | 177.1 | 162.2 | 160.6 | -166 | 3.6 | 111.8 | A64 L65 L66 Q72 Y357 G358 Y359 | A64-R68 PolarHBondContact O-N 2.79Å; L65-R68 PolarHBondContact O-N 3.18Å; L65-R68 VanDerWaalsContact O-N 3.13Å; L66-R68 VanDerWaalsContact C-N 3.34Å; L66-R68 PolarHBondContact O-N 2.95Å; R68-Q72 WeakPolarHBondContact O-CG 3.33Å; R68-Q72 PolarHBondContact O-N 3.48Å; R68-Y357 PolarHBondContact NH2-O 2.81Å; R68-G358 PolarHBondContact NH2-O 2.92Å; R68-Y359 WeakPolarHBondContact CD-OH 3.43Å; R68-Y359 VanDerWaalsContact NH1-CE1 3.3Å; R68-Y359 VanDerWaalsContact NH1-CZ 3.34Å |
| 69 | L | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -60.4 | -46.6 | 175 | -62.9 | -178.2 | 0 | 0 | 0 | 111.3 | I9 L55 L65 L66 R67 Q72 S73 Y357 | I9-L69 HydrophobicContact CD1-CB 3.95Å; I9-L69 HydrophobicContact CG1-CB 4.27Å; L55-L69 HydrophobicContact CD1-CD1 4.14Å; L65-L69 HydrophobicContact CD1-CD2 4.42Å; L65-L69 HydrophobicContact CD1-CG 4.22Å; L65-L69 WeakPolarHBondContact O-CG 3.26Å; L65-L69 PolarHBondContact O-N 2.9Å; L66-L69 PolarHBondContact O-N 2.78Å; R67-L69 VanDerWaalsContact C-N 3.32Å; R67-L69 PolarHBondContact O-N 3.49Å; L69-Q72 PolarHBondContact O-N 2.77Å; L69-S73 WeakPolarHBondContact O-CB 3.27Å; L69-S73 PolarHBondContact O-N 3.47Å; L69-S73 PolarHBondContact O-OG 2.73Å; L69-Y357 HydrophobicContact CB-CE1 4.26Å; L69-Y357 HydrophobicContact CD2-CD1 3.38Å; L69-Y357 HydrophobicContact CD2-CD2 3.87Å; L69-Y357 HydrophobicContact CD2-CE1 3.72Å; L69-Y357 HydrophobicContact CD2-CE2 4.16Å; L69-Y357 HydrophobicContact CD2-CG 3.46Å; L69-Y357 VanDerWaalsContact CD2-CG 3.46Å; L69-Y357 WeakPolarHBondContact O-CE1 3.44Å |
| 70 | C | 98.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -62.6 | -47.2 | 178.9 | -67.8 | 0 | 0 | 0 | 0 | 112.6 | L66 R67 Q72 S73 V76 L95 | L66-C70 PolarHBondContact O-N 2.89Å; L66-C70 PolarHBondContact O-SG 3.02Å; R67-C70 WeakPolarHBondContact O-CB 3.37Å; R67-C70 PolarHBondContact O-N 2.84Å; C70-Q72 VanDerWaalsContact C-N 3.26Å; C70-Q72 PolarHBondContact O-N 3.21Å; C70-S73 PolarHBondContact O-N 3.02Å; C70-S73 VanDerWaalsContact O-N 3.12Å; C70-V76 HydrophobicContact CB-CG2 3.6Å; C70-V76 VanDerWaalsContact SG-CG2 3.52Å; C70-L95 HydrophobicContact CB-CD1 3.78Å; C70-L95 HydrophobicContact CB-CD2 4.18Å |
| 71 | V | 97.8 | Very high | 97.4 | Very high | 35 Ų | 35 | 34.2 Ų | 34.2 | 21% | 0.212 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -62.7 | -34.2 | -177.9 | 169.7 | 0 | 0 | 0 | 0 | 111.8 | R67 S73 L95 E98 N99 | R67-V71 HydrophobicContact CG-CG2 4.27Å; R67-V71 WeakPolarHBondContact O-CG2 3.18Å; R67-V71 PolarHBondContact O-N 3.41Å; V71-S73 VanDerWaalsContact C-N 3.3Å; V71-S73 PolarHBondContact O-N 2.94Å; V71-L95 HydrophobicContact CG2-CD2 4.28Å; V71-E98 HydrophobicContact CG1-CB 4.28Å; V71-E98 HydrophobicContact CG2-CB 3.78Å; V71-E98 WeakPolarHBondContact CG2-OE2 3.47Å; V71-N99 HydrophobicContact CG1-CB 4.29Å; V71-N99 PolarHBondContact O-ND2 3.18Å |
| 72 | Q | 97.8 | Very high | 97.2 | Very high | 91 Ų | 91 | 33.5 Ų | 33.5 | 43% | 0.425 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.6 | 7.5 | 178.9 | -65.3 | -174.7 | 3 | 0 | 0 | 114.3 | R68 L69 C70 Y357 | R68-Q72 WeakPolarHBondContact O-CG 3.33Å; R68-Q72 PolarHBondContact O-N 3.48Å; L69-Q72 PolarHBondContact O-N 2.77Å; C70-Q72 VanDerWaalsContact C-N 3.26Å; C70-Q72 PolarHBondContact O-N 3.21Å; Q72-Y357 HydrophobicContact CB-CD1 3.95Å; Q72-Y357 HydrophobicContact CB-CE1 3.75Å |
| 73 | S | 98.5 | Very high | 96.9 | Very high | 3 Ų | 3 | 34.5 Ų | 34.5 | 2% | 0.021 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -111.4 | 166.9 | -177.9 | -59.6 | 0 | 0 | 0 | 0 | 112.2 | I9 L69 C70 V71 N99 Y357 | I9-S73 VanDerWaalsContact CG1-OG 3.28Å; I9-S73 WeakPolarHBondContact CG1-OG 3.34Å; L69-S73 WeakPolarHBondContact O-CB 3.27Å; L69-S73 PolarHBondContact O-N 3.47Å; L69-S73 PolarHBondContact O-OG 2.73Å; C70-S73 PolarHBondContact O-N 3.02Å; C70-S73 VanDerWaalsContact O-N 3.12Å; V71-S73 VanDerWaalsContact C-N 3.3Å; V71-S73 PolarHBondContact O-N 2.94Å; S73-N99 PolarHBondContact O-ND2 2.55Å; S73-Y357 PolarHBondContact OG-OH 3.4Å |
| 74 | D | 98.9 | Very high | 96.8 | Very high | 35 Ų | 35 | 35.9 Ų | 35.9 | 19% | 0.187 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -85.9 | -34.8 | 177.8 | -68 | -70.6 | 0 | 0 | 0 | 112.5 | V6 K7 I103 L168 R171 | V6-D74 WeakPolarHBondContact CA-OD2 3.41Å; V6-D74 HydrophobicContact CG1-CB 4.03Å; K7-D74 PolarHBondContact N-OD2 2.88Å; K7-D74 WeakPolarHBondContact O-CB 3.26Å; K7-D74 PolarHBondContact O-N 3.23Å; D74-I103 PolarHBondContact O-N 3.06Å; D74-L168 HydrophobicContact CB-CD2 4.47Å; D74-R171 IonicContact OD1-CZ 2.8Å; D74-R171 IonicContact OD1-NH1 2.96Å; D74-R171 PolarHBondContact OD1-NH1 2.83Å; D74-R171 VanDerWaalsContact OD1-NH1 3.07Å; D74-R171 IonicContact OD1-NH2 3.33Å; D74-R171 PolarHBondContact OD1-NH2 2.94Å |
| 75 | V | 98.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 137.6 | -173.7 | -172.9 | 0 | 0 | 0 | 0 | 109.9 | V6 K7 V8 I9 I103 I164 L168 | V6-V75 HydrophobicContact CG1-CG2 4.26Å; K7-V75 PolarHBondContact O-N 3.26Å; K7-V75 VanDerWaalsContact O-N 3.12Å; V8-V75 WeakPolarHBondContact CA-O 3.46Å; V8-V75 HydrophobicContact CB-CB 4.34Å; V8-V75 HydrophobicContact CG1-CB 4.07Å; V8-V75 HydrophobicContact CG1-CG1 4.17Å; V8-V75 HydrophobicContact CG2-CB 4.05Å; V8-V75 HydrophobicContact CG2-CG2 4.24Å; I9-V75 PolarHBondContact N-O 2.88Å; V75-I103 CarbonylContact C-O 3.56Å; V75-I103 VanDerWaalsContact CA-O 3.26Å; V75-I103 WeakPolarHBondContact CA-O 3.4Å; V75-I103 HydrophobicContact CG1-CG2 4.42Å; V75-I103 HydrophobicContact CG2-CB 4.25Å; V75-I103 HydrophobicContact CG2-CD1 4.48Å; V75-I164 HydrophobicContact CG1-CD1 4Å; V75-I164 HydrophobicContact CG1-CG1 4.13Å; V75-I164 HydrophobicContact CG1-CG2 4.04Å; V75-I164 HydrophobicContact CG2-CG2 3.8Å; V75-L168 HydrophobicContact CG2-CD2 4.33Å |
| 76 | V | 98.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 124.5 | 161.1 | 170.2 | 0 | 0 | 0 | 0 | 107.7 | I9 L11 C70 L95 L102 I103 Y104 A105 | I9-V76 HydrophobicContact CB-CG2 4.35Å; I9-V76 CarbonylContact O-C 3.56Å; I9-V76 WeakPolarHBondContact O-CA 3.47Å; L11-V76 HydrophobicContact CD2-CG1 3.78Å; C70-V76 HydrophobicContact CB-CG2 3.6Å; C70-V76 VanDerWaalsContact SG-CG2 3.52Å; V76-L95 HydrophobicContact CG2-CD1 4.43Å; V76-L102 HydrophobicContact CG2-CD1 4.01Å; V76-L102 HydrophobicContact CG2-CD2 4.14Å; V76-I103 PolarHBondContact N-O 2.76Å; V76-Y104 HydrophobicContact CB-CD2 4.3Å; V76-Y104 HydrophobicContact CG1-CD2 4.36Å; V76-Y104 HydrophobicContact CG1-CE2 4.15Å; V76-A105 PolarHBondContact O-N 3.49Å |
| 77 | L | 98.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 107 | 175.3 | 171.2 | 61.1 | 0 | 0 | 0 | 108.8 | V8 I9 E10 L11 C20 A105 L107 | V8-L77 HydrophobicContact CG1-CB 4.47Å; I9-L77 PolarHBondContact O-N 3.03Å; E10-L77 HydrophobicContact CG-CD2 4.09Å; E10-L77 HydrophobicContact CG-CG 4.49Å; L11-L77 WeakPolarHBondContact CD2-O 3.46Å; L11-L77 PolarHBondContact N-O 3.26Å; C20-L77 HydrophobicContact CB-CD2 3.89Å; L77-A105 HydrophobicContact CD1-CB 4.17Å; L77-L107 HydrophobicContact CD1-CB 4.07Å; L77-L107 HydrophobicContact CD1-CD2 4.41Å |
| 78 | E | 96.6 | Very high | 96.4 | Very high | 1 Ų | 1 | 43.9 Ų | 43.9 | 1% | 0.005 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 129.3 | 178.2 | 67.1 | 140 | 153.4 | 0 | 0 | 113 | L11 M85 Y104 A105 R106 L107 | L11-E78 HydrophobicContact CB-CB 4.46Å; L11-E78 HydrophobicContact CD2-CB 4.11Å; L11-E78 HydrophobicContact CG-CB 4.27Å; E78-M85 HydrophobicContact CB-CG 4.39Å; E78-M85 VanDerWaalsContact CD-CG 3.42Å; E78-M85 HydrophobicContact CG-CG 4.38Å; E78-M85 WeakPolarHBondContact OE2-CG 3.09Å; E78-Y104 HydrophobicContact CG-CE1 3.65Å; E78-Y104 WeakPolarHBondContact OE1-CE1 3.28Å; E78-Y104 VanDerWaalsContact OE1-CZ 3.32Å; E78-Y104 PolarHBondContact OE1-OH 2.86Å; E78-A105 PolarHBondContact N-O 3.35Å; E78-R106 HydrophobicContact CG-CG 4.05Å; E78-R106 IonicContact OE1-CZ 2.81Å; E78-R106 IonicContact OE1-NE 3.35Å; E78-R106 PolarHBondContact OE1-NE 3.38Å; E78-R106 IonicContact OE1-NH2 3.5Å; E78-R106 PolarHBondContact OE1-NH2 2.8Å; E78-R106 VanDerWaalsContact OE1-NH2 3.07Å; E78-L107 PolarHBondContact O-N 3.25Å |
| 79 | P | 95.7 | Very high | 96.3 | Very high | 29 Ų | 29 | 41 Ų | 41 | 19% | 0.188 | 20% | 0.202 | C | C | . | . | trans | -97.5 | 9.7 | 176 | 32.8 | -27.6 | 0 | 0 | 0 | 113.9 | L11 A17 L107 | L11-P79 VanDerWaalsContact O-CD 3.28Å; L11-P79 WeakPolarHBondContact O-CD 3.46Å; L11-P79 WeakPolarHBondContact O-CG 3.3Å; A17-P79 HydrophobicContact CB-CB 3.69Å; A17-P79 HydrophobicContact CB-CG 3.9Å; P79-L107 VanDerWaalsContact CA-O 3.28Å; P79-L107 WeakPolarHBondContact CA-O 3.26Å | ||
| 80 | Y | 93.8 | Very high | 96.3 | Very high | 29 Ų | 29 | 41 Ų | 41 | 11% | 0.114 | 20% | 0.202 | C | C | . | . | trans | -80.2 | 154.9 | -171.6 | -59.2 | -39.9 | 0 | 0 | 0 | 112.5 | L11 V84 M85 T108 | L11-Y80 HydrophobicContact CB-CE2 3.91Å; L11-Y80 HydrophobicContact CD1-CE2 4.48Å; L11-Y80 HydrophobicContact CG-CE2 4.11Å; Y80-V84 HydrophobicContact CD2-CG1 3.81Å; Y80-V84 HydrophobicContact CG-CB 4.4Å; Y80-V84 HydrophobicContact CG-CG1 3.87Å; Y80-M85 HydrophobicContact CD2-CG 4.07Å; Y80-M85 HydrophobicContact CD2-SD 3.86Å; Y80-M85 HydrophobicContact CE2-SD 4.08Å; Y80-T108 WeakPolarHBondContact O-CG2 3.41Å | ||
| 81 | R | 90 | Very high | 96.3 | Very high | 134 Ų | 134 | 41 Ų | 41 | 51% | 0.506 | 20% | 0.202 | S | C | . | . | trans | -63.3 | 155.6 | 175.4 | -61.2 | -174.8 | -167.1 | 163.7 | 8.3 | 110.3 | G83 V84 | R81-G83 PolarHBondContact O-N 3.13Å; R81-V84 HydrophobicContact CB-CG2 4.41Å; R81-V84 WeakPolarHBondContact O-CB 3.27Å; R81-V84 VanDerWaalsContact O-CG2 3.28Å; R81-V84 WeakPolarHBondContact O-CG2 3.34Å; R81-V84 PolarHBondContact O-N 3.35Å; R81-V84 VanDerWaalsContact O-N 3.15Å | ||
| 82 | K | 92 | Very high | 96.2 | Very high | 98 Ų | 98 | 40 Ų | 40 | 43% | 0.426 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -43.6 | 130.1 | 174.6 | -177.9 | 179.1 | -174.8 | 159.6 | 0 | 112 | Q112 A117 | K82-Q112 WeakPolarHBondContact CD-O 3.27Å; K82-Q112 WeakPolarHBondContact CE-O 3.29Å; K82-Q112 PolarHBondContact NZ-O 2.92Å; K82-A117 HydrophobicContact CD-CB 3.9Å |
| 83 | G | 92.4 | Very high | 96.2 | Very high | 20 Ų | 20 | 40 Ų | 40 | 21% | 0.206 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 87.8 | -8.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | R81 E86 K87 | R81-G83 PolarHBondContact O-N 3.13Å; G83-E86 VanDerWaalsContact C-OE2 3.24Å; G83-E86 WeakPolarHBondContact CA-OE2 3.48Å; G83-E86 PolarHBondContact N-OE2 3.36Å; G83-E86 VanDerWaalsContact N-OE2 3.11Å; G83-K87 WeakPolarHBondContact O-CB 3.28Å; G83-K87 VanDerWaalsContact O-CG 3.23Å; G83-K87 WeakPolarHBondContact O-CG 3.43Å; G83-K87 PolarHBondContact O-N 2.91Å; G83-K87 VanDerWaalsContact O-N 3.13Å |
| 84 | V | 93.9 | Very high | 96.1 | Very high | 55 Ų | 55 | 43 Ų | 43 | 33% | 0.333 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -68.7 | -49.8 | -179.9 | 171.5 | 0 | 0 | 0 | 0 | 111.1 | Y80 R81 K87 L88 | Y80-V84 HydrophobicContact CD2-CG1 3.81Å; Y80-V84 HydrophobicContact CG-CB 4.4Å; Y80-V84 HydrophobicContact CG-CG1 3.87Å; R81-V84 HydrophobicContact CB-CG2 4.41Å; R81-V84 WeakPolarHBondContact O-CB 3.27Å; R81-V84 VanDerWaalsContact O-CG2 3.28Å; R81-V84 WeakPolarHBondContact O-CG2 3.34Å; R81-V84 PolarHBondContact O-N 3.35Å; R81-V84 VanDerWaalsContact O-N 3.15Å; V84-K87 PolarHBondContact O-N 3.05Å; V84-L88 PolarHBondContact O-N 3.5Å |
| 85 | M | 96.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -71.2 | -33.4 | 179.5 | -72.3 | -61.8 | -78.2 | 0 | 0 | 112.3 | L11 E78 Y80 K87 L88 G89 L90 G91 Y104 | L11-M85 HydrophobicContact CG-CE 4.49Å; E78-M85 HydrophobicContact CB-CG 4.39Å; E78-M85 VanDerWaalsContact CD-CG 3.42Å; E78-M85 HydrophobicContact CG-CG 4.38Å; E78-M85 WeakPolarHBondContact OE2-CG 3.09Å; Y80-M85 HydrophobicContact CD2-CG 4.07Å; Y80-M85 HydrophobicContact CD2-SD 3.86Å; Y80-M85 HydrophobicContact CE2-SD 4.08Å; M85-K87 VanDerWaalsContact C-N 3.33Å; M85-K87 PolarHBondContact O-N 3.41Å; M85-L88 CarbonylContact O-C 3.57Å; M85-L88 PolarHBondContact O-N 2.86Å; M85-L88 VanDerWaalsContact O-N 3.1Å; M85-L88 HydrophobicContact SD-CD1 4.14Å; M85-G89 PolarHBondContact O-N 3.11Å; M85-L90 HydrophobicContact CE-CB 3.48Å; M85-L90 VanDerWaalsContact CE-CB 3.48Å; M85-L90 HydrophobicContact CE-CD1 4Å; M85-L90 HydrophobicContact CE-CG 4.41Å; M85-L90 CarbonylContact O-C 3.55Å; M85-L90 PolarHBondContact O-N 2.87Å; M85-L90 HydrophobicContact SD-CB 4.44Å; M85-G91 PolarHBondContact O-N 3.28Å; M85-Y104 WeakPolarHBondContact CB-OH 3.41Å |
| 86 | E | 96.7 | Very high | 96.1 | Very high | 71 Ų | 71 | 43.2 Ų | 43.2 | 33% | 0.332 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -61.5 | -40.6 | 173.5 | -66.1 | 85.7 | 165.6 | 0 | 0 | 111.6 | G83 L88 G89 R106 | G83-E86 VanDerWaalsContact C-OE2 3.24Å; G83-E86 WeakPolarHBondContact CA-OE2 3.48Å; G83-E86 PolarHBondContact N-OE2 3.36Å; G83-E86 VanDerWaalsContact N-OE2 3.11Å; E86-L88 PolarHBondContact O-N 3.05Å; E86-G89 PolarHBondContact O-N 3.11Å; E86-R106 IonicContact OE1-CZ 3.81Å; E86-R106 IonicContact OE1-NH1 3.63Å; E86-R106 PolarHBondContact OE1-NH1 3.03Å; E86-R106 IonicContact OE1-NH2 2.72Å; E86-R106 PolarHBondContact OE1-NH2 2.81Å; E86-R106 IonicContact OE2-NH2 3.69Å; E86-R106 PolarHBondContact OE2-NH2 2.89Å |
| 87 | K | 96.1 | Very high | 96 | Very high | 187 Ų | 187 | 47.5 Ų | 47.5 | 81% | 0.813 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -63.6 | -25.3 | 174.9 | -77.3 | 171.8 | -177.1 | 179.8 | 0 | 113.4 | G83 V84 M85 G89 | G83-K87 WeakPolarHBondContact O-CB 3.28Å; G83-K87 VanDerWaalsContact O-CG 3.23Å; G83-K87 WeakPolarHBondContact O-CG 3.43Å; G83-K87 PolarHBondContact O-N 2.91Å; G83-K87 VanDerWaalsContact O-N 3.13Å; V84-K87 PolarHBondContact O-N 3.05Å; M85-K87 VanDerWaalsContact C-N 3.33Å; M85-K87 PolarHBondContact O-N 3.41Å; K87-G89 VanDerWaalsContact C-N 3.31Å |
| 88 | L | 95.7 | Very high | 96 | Very high | 51 Ų | 51 | 51.7 Ų | 51.7 | 27% | 0.267 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | -2.9 | 173.7 | -63.1 | 174.3 | 0 | 0 | 0 | 112.2 | V63 V84 M85 E86 L90 | V63-L88 WeakPolarHBondContact CG1-O 3.32Å; V63-L88 HydrophobicContact CG2-CD2 4.25Å; V84-L88 PolarHBondContact O-N 3.5Å; M85-L88 CarbonylContact O-C 3.57Å; M85-L88 PolarHBondContact O-N 2.86Å; M85-L88 VanDerWaalsContact O-N 3.1Å; M85-L88 HydrophobicContact SD-CD1 4.14Å; E86-L88 PolarHBondContact O-N 3.05Å; L88-L90 HydrophobicContact CB-CB 4.42Å; L88-L90 HydrophobicContact CB-CD1 4.1Å; L88-L90 HydrophobicContact CB-CG 4.13Å; L88-L90 PolarHBondContact O-N 3.49Å |
| 89 | G | 96.9 | Very high | 96.1 | Very high | 21 Ų | 21 | 52.8 Ų | 52.8 | 22% | 0.216 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 65.8 | 28.8 | -172.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | R67 M85 E86 K87 | R67-G89 PolarHBondContact NH2-O 3.34Å; M85-G89 PolarHBondContact O-N 3.11Å; E86-G89 PolarHBondContact O-N 3.11Å; K87-G89 VanDerWaalsContact C-N 3.31Å |
| 90 | L | 98 | Very high | 96.2 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 29% | 0.294 | C | S | . | . | trans | -122.9 | 25.6 | -179.2 | -59.4 | 176.4 | 0 | 0 | 0 | 110.9 | V63 L66 R67 M85 L88 L95 Y104 | V63-L90 HydrophobicContact CG1-CD1 4.18Å; V63-L90 HydrophobicContact CG1-CD2 4.31Å; V63-L90 HydrophobicContact CG1-CG 4.17Å; L66-L90 HydrophobicContact CB-CD1 4.21Å; L66-L90 HydrophobicContact CD2-CD1 3.43Å; L66-L90 VanDerWaalsContact CD2-CD1 3.43Å; L66-L90 HydrophobicContact CG-CD1 3.8Å; R67-L90 HydrophobicContact CB-CD2 3.56Å; R67-L90 HydrophobicContact CG-CD2 4.05Å; M85-L90 HydrophobicContact CE-CB 3.48Å; M85-L90 VanDerWaalsContact CE-CB 3.48Å; M85-L90 HydrophobicContact CE-CD1 4Å; M85-L90 HydrophobicContact CE-CG 4.41Å; M85-L90 CarbonylContact O-C 3.55Å; M85-L90 PolarHBondContact O-N 2.87Å; M85-L90 HydrophobicContact SD-CB 4.44Å; L88-L90 HydrophobicContact CB-CB 4.42Å; L88-L90 HydrophobicContact CB-CD1 4.1Å; L88-L90 HydrophobicContact CB-CG 4.13Å; L88-L90 PolarHBondContact O-N 3.49Å; L90-L95 HydrophobicContact CD2-CD2 4.23Å; L90-L95 WeakPolarHBondContact O-CD1 3.46Å; L90-Y104 PolarHBondContact O-OH 2.91Å | ||
| 91 | G | 97.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 31% | 0.31 | C | S | . | . | S | Bend | trans | -68.3 | 170.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112 | M85 S93 E94 L95 | M85-G91 PolarHBondContact O-N 3.28Å; G91-S93 VanDerWaalsContact C-N 3.27Å; G91-S93 PolarHBondContact O-N 2.87Å; G91-E94 VanDerWaalsContact C-OE2 3.24Å; G91-E94 WeakPolarHBondContact CA-OE2 3.32Å; G91-E94 PolarHBondContact N-OE2 3.23Å; G91-E94 VanDerWaalsContact N-OE2 3.16Å; G91-E94 PolarHBondContact O-N 3.48Å; G91-L95 PolarHBondContact O-N 2.87Å |
| 92 | P | 97.6 | Very high | 96.9 | Very high | 14 Ų | 14 | 53.2 Ų | 53.2 | 9% | 0.091 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62.2 | -36.3 | -179.8 | 23.5 | -34.3 | 0 | 0 | 0 | 111.7 | E94 L96 Y104 I179 | P92-E94 VanDerWaalsContact C-N 3.34Å; P92-E94 PolarHBondContact O-N 3.46Å; P92-L96 HydrophobicContact CB-CD1 4.01Å; P92-L96 VanDerWaalsContact O-CB 3.26Å; P92-L96 WeakPolarHBondContact O-CB 3.36Å; P92-L96 WeakPolarHBondContact O-CD1 3.5Å; P92-L96 PolarHBondContact O-N 3.14Å; P92-Y104 HydrophobicContact CB-CD1 4Å; P92-Y104 HydrophobicContact CB-CD2 4.05Å; P92-Y104 HydrophobicContact CB-CE1 4.31Å; P92-Y104 HydrophobicContact CB-CE2 4.3Å; P92-Y104 HydrophobicContact CB-CG 3.89Å; P92-I179 HydrophobicContact CB-CD1 3.56Å; P92-I179 HydrophobicContact CB-CG1 3.82Å; P92-I179 HydrophobicContact CG-CD1 4Å |
| 93 | S | 96.6 | Very high | 97.2 | Very high | 92 Ų | 92 | 48.5 Ų | 48.5 | 64% | 0.643 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -60 | -46.1 | 178.9 | -172.9 | 0 | 0 | 0 | 0 | 111.4 | G91 S97 | G91-S93 VanDerWaalsContact C-N 3.27Å; G91-S93 PolarHBondContact O-N 2.87Å; S93-S97 WeakPolarHBondContact O-CB 3.48Å; S93-S97 PolarHBondContact O-N 2.99Å |
| 94 | E | 97.6 | Very high | 97.5 | Very high | 65 Ų | 65 | 47.6 Ų | 47.6 | 30% | 0.304 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -66.7 | -52.9 | 179.6 | -63.4 | 72.3 | -159.3 | 0 | 0 | 110.6 | G91 P92 L96 S97 E98 | G91-E94 VanDerWaalsContact C-OE2 3.24Å; G91-E94 WeakPolarHBondContact CA-OE2 3.32Å; G91-E94 PolarHBondContact N-OE2 3.23Å; G91-E94 VanDerWaalsContact N-OE2 3.16Å; G91-E94 PolarHBondContact O-N 3.48Å; P92-E94 VanDerWaalsContact C-N 3.34Å; P92-E94 PolarHBondContact O-N 3.46Å; E94-L96 PolarHBondContact O-N 2.98Å; E94-S97 PolarHBondContact O-N 2.94Å; E94-S97 PolarHBondContact O-OG 3.12Å; E94-E98 PolarHBondContact O-N 2.88Å |
| 95 | L | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -70.1 | -36.2 | -174 | -62.8 | -176.1 | 0 | 0 | 0 | 113.4 | R67 C70 V71 V76 L90 G91 S97 E98 N99 L102 Y104 | R67-L95 HydrophobicContact CG-CD2 3.96Å; C70-L95 HydrophobicContact CB-CD1 3.78Å; C70-L95 HydrophobicContact CB-CD2 4.18Å; V71-L95 HydrophobicContact CG2-CD2 4.28Å; V76-L95 HydrophobicContact CG2-CD1 4.43Å; L90-L95 HydrophobicContact CD2-CD2 4.23Å; L90-L95 WeakPolarHBondContact O-CD1 3.46Å; G91-L95 PolarHBondContact O-N 2.87Å; L95-S97 VanDerWaalsContact C-N 3.29Å; L95-S97 PolarHBondContact O-N 2.83Å; L95-E98 PolarHBondContact O-N 2.87Å; L95-N99 PolarHBondContact O-N 2.87Å; L95-L102 HydrophobicContact CB-CD2 3.63Å; L95-L102 HydrophobicContact CD1-CD2 4.36Å; L95-Y104 HydrophobicContact CB-CD2 4.44Å; L95-Y104 HydrophobicContact CD1-CD2 4.08Å; L95-Y104 HydrophobicContact CD1-CE2 3.64Å; L95-Y104 HydrophobicContact CG-CE2 4.45Å |
| 96 | L | 98.1 | Very high | 97.8 | Very high | 40 Ų | 40 | 45.7 Ų | 45.7 | 21% | 0.209 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -71.6 | -24.3 | 175.6 | -83.2 | 81.2 | 0 | 0 | 0 | 112.4 | P92 E94 E98 N99 P100 Y104 I179 | P92-L96 HydrophobicContact CB-CD1 4.01Å; P92-L96 VanDerWaalsContact O-CB 3.26Å; P92-L96 WeakPolarHBondContact O-CB 3.36Å; P92-L96 WeakPolarHBondContact O-CD1 3.5Å; P92-L96 PolarHBondContact O-N 3.14Å; E94-L96 PolarHBondContact O-N 2.98Å; L96-E98 VanDerWaalsContact C-N 3.33Å; L96-N99 CarbonylContact O-C 3.35Å; L96-N99 VanDerWaalsContact O-C 3.26Å; L96-P100 WeakPolarHBondContact O-CA 3.44Å; L96-Y104 HydrophobicContact CD1-CD2 4.32Å; L96-Y104 HydrophobicContact CD1-CG 4.33Å; L96-I179 HydrophobicContact CD1-CG1 4.33Å; L96-I179 HydrophobicContact CD2-CG1 4.24Å |
| 97 | S | 97.9 | Very high | 97.9 | Very high | 91 Ų | 91 | 42.3 Ų | 42.3 | 64% | 0.636 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -68.1 | -34.9 | 173.8 | 78.5 | 0 | 0 | 0 | 0 | 112.1 | S93 E94 L95 | S93-S97 WeakPolarHBondContact O-CB 3.48Å; S93-S97 PolarHBondContact O-N 2.99Å; E94-S97 PolarHBondContact O-N 2.94Å; E94-S97 PolarHBondContact O-OG 3.12Å; L95-S97 VanDerWaalsContact C-N 3.29Å; L95-S97 PolarHBondContact O-N 2.83Å |
| 98 | E | 98.1 | Very high | 97.9 | Very high | 87 Ų | 87 | 33.9 Ų | 33.9 | 41% | 0.407 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -85.4 | -34.9 | 178.3 | -65.3 | -176.2 | -145.2 | 0 | 0 | 111.9 | R67 V71 E94 L95 L96 | R67-E98 WeakPolarHBondContact CD-OE1 3.17Å; R67-E98 IonicContact CZ-OE1 3.36Å; R67-E98 IonicContact NE-OE1 2.82Å; R67-E98 IonicContact NH1-OE1 2.7Å; R67-E98 PolarHBondContact NH1-OE1 2.84Å; V71-E98 HydrophobicContact CG1-CB 4.28Å; V71-E98 HydrophobicContact CG2-CB 3.78Å; V71-E98 WeakPolarHBondContact CG2-OE2 3.47Å; E94-E98 PolarHBondContact O-N 2.88Å; L95-E98 PolarHBondContact O-N 2.87Å; L96-E98 VanDerWaalsContact C-N 3.33Å |
| 99 | N | 98.6 | Very high | 98 | Very high | 25 Ų | 25 | 31.8 Ų | 31.8 | 13% | 0.134 | 18% | 0.182 | C | C | . | . | trans | -130.1 | 92.4 | 173.3 | -180 | 1 | 0 | 0 | 0 | 111.3 | V71 S73 L95 L96 R101 L102 | V71-N99 HydrophobicContact CG1-CB 4.29Å; V71-N99 PolarHBondContact O-ND2 3.18Å; S73-N99 PolarHBondContact O-ND2 2.55Å; L95-N99 PolarHBondContact O-N 2.87Å; L96-N99 CarbonylContact O-C 3.35Å; L96-N99 VanDerWaalsContact O-C 3.26Å; N99-R101 PolarHBondContact O-N 3.48Å; N99-R101 WeakPolarHBondContact OD1-CA 3.1Å; N99-R101 VanDerWaalsContact OD1-CB 3.31Å; N99-R101 WeakPolarHBondContact OD1-CB 3.46Å; N99-R101 PolarHBondContact OD1-N 3.12Å; N99-L102 HydrophobicContact CB-CB 4.1Å; N99-L102 WeakPolarHBondContact O-CB 3.32Å; N99-L102 PolarHBondContact O-N 2.64Å; N99-L102 PolarHBondContact OD1-N 3.41Å | ||
| 100 | P | 98.5 | Very high | 98 | Very high | 84 Ų | 84 | 32.7 Ų | 32.7 | 55% | 0.545 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -8.9 | 178.2 | -24.3 | 34.9 | 0 | 0 | 0 | 114.9 | L96 G177 | L96-P100 WeakPolarHBondContact O-CA 3.44Å; P100-G177 PolarHBondContact O-N 3.18Å |
| 101 | R | 98.7 | Very high | 97.9 | Very high | 116 Ų | 116 | 32.8 Ų | 32.8 | 44% | 0.438 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94 | -5.4 | 176.6 | -56.3 | -177.8 | 48.6 | 77 | -5.1 | 112.6 | N99 R171 G175 | N99-R101 PolarHBondContact O-N 3.48Å; N99-R101 WeakPolarHBondContact OD1-CA 3.1Å; N99-R101 VanDerWaalsContact OD1-CB 3.31Å; N99-R101 WeakPolarHBondContact OD1-CB 3.46Å; N99-R101 PolarHBondContact OD1-N 3.12Å; R101-R171 WeakPolarHBondContact O-CD 3.28Å; R101-R171 PolarHBondContact O-NH1 3.38Å; R101-G175 WeakPolarHBondContact CG-O 3.41Å; R101-G175 PolarHBondContact NH1-O 3.32Å |
| 102 | L | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 19% | 0.186 | C | C | . | . | trans | -69.6 | 130.1 | -174.4 | -177.2 | 65.5 | 0 | 0 | 0 | 111.7 | V76 L95 N99 Y104 G177 Q178 | V76-L102 HydrophobicContact CG2-CD1 4.01Å; V76-L102 HydrophobicContact CG2-CD2 4.14Å; L95-L102 HydrophobicContact CB-CD2 3.63Å; L95-L102 HydrophobicContact CD1-CD2 4.36Å; N99-L102 HydrophobicContact CB-CB 4.1Å; N99-L102 WeakPolarHBondContact O-CB 3.32Å; N99-L102 PolarHBondContact O-N 2.64Å; N99-L102 PolarHBondContact OD1-N 3.41Å; L102-Y104 HydrophobicContact CD2-CD2 4.25Å; L102-G177 VanDerWaalsContact O-CA 3.24Å; L102-G177 WeakPolarHBondContact O-CA 3.42Å; L102-Q178 PolarHBondContact O-N 2.93Å | ||
| 103 | I | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 116.5 | 166.7 | -63.1 | 164 | 0 | 0 | 0 | 107.6 | D74 V75 V76 A167 L168 Q178 I180 | D74-I103 PolarHBondContact O-N 3.06Å; V75-I103 CarbonylContact C-O 3.56Å; V75-I103 VanDerWaalsContact CA-O 3.26Å; V75-I103 WeakPolarHBondContact CA-O 3.4Å; V75-I103 HydrophobicContact CG1-CG2 4.42Å; V75-I103 HydrophobicContact CG2-CB 4.25Å; V75-I103 HydrophobicContact CG2-CD1 4.48Å; V76-I103 PolarHBondContact N-O 2.76Å; I103-A167 HydrophobicContact CD1-CB 3.75Å; I103-A167 HydrophobicContact CG1-CB 3.95Å; I103-A167 HydrophobicContact CG2-CB 3.89Å; I103-L168 HydrophobicContact CD1-CB 4.14Å; I103-L168 HydrophobicContact CD1-CD2 3.45Å; I103-L168 VanDerWaalsContact CD1-CD2 3.45Å; I103-L168 HydrophobicContact CD1-CG 3.49Å; I103-L168 VanDerWaalsContact CD1-CG 3.49Å; I103-Q178 WeakPolarHBondContact CA-O 3.49Å; I103-I180 HydrophobicContact CG2-CD1 3.51Å; I103-I180 HydrophobicContact CG2-CG1 4.31Å |
| 104 | Y | 98.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 102.7 | -177.5 | -167.2 | -66.1 | 0 | 0 | 0 | 108.9 | V76 E78 M85 L90 P92 L95 L96 L102 R106 Q178 I179 I180 | V76-Y104 HydrophobicContact CB-CD2 4.3Å; V76-Y104 HydrophobicContact CG1-CD2 4.36Å; V76-Y104 HydrophobicContact CG1-CE2 4.15Å; E78-Y104 HydrophobicContact CG-CE1 3.65Å; E78-Y104 WeakPolarHBondContact OE1-CE1 3.28Å; E78-Y104 VanDerWaalsContact OE1-CZ 3.32Å; E78-Y104 PolarHBondContact OE1-OH 2.86Å; M85-Y104 WeakPolarHBondContact CB-OH 3.41Å; L90-Y104 PolarHBondContact O-OH 2.91Å; P92-Y104 HydrophobicContact CB-CD1 4Å; P92-Y104 HydrophobicContact CB-CD2 4.05Å; P92-Y104 HydrophobicContact CB-CE1 4.31Å; P92-Y104 HydrophobicContact CB-CE2 4.3Å; P92-Y104 HydrophobicContact CB-CG 3.89Å; L95-Y104 HydrophobicContact CB-CD2 4.44Å; L95-Y104 HydrophobicContact CD1-CD2 4.08Å; L95-Y104 HydrophobicContact CD1-CE2 3.64Å; L95-Y104 HydrophobicContact CG-CE2 4.45Å; L96-Y104 HydrophobicContact CD1-CD2 4.32Å; L96-Y104 HydrophobicContact CD1-CG 4.33Å; L102-Y104 HydrophobicContact CD2-CD2 4.25Å; Y104-R106 HydrophobicContact CD1-CG 3.85Å; Y104-R106 HydrophobicContact CE1-CG 3.6Å; Y104-Q178 PolarHBondContact N-O 3.18Å; Y104-I179 CarbonylContact O-C 3.51Å; Y104-I179 WeakPolarHBondContact O-CA 3.44Å; Y104-I180 PolarHBondContact O-N 3.48Å |
| 105 | A | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 121.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | V76 L77 E78 I164 I180 | V76-A105 PolarHBondContact O-N 3.49Å; L77-A105 HydrophobicContact CD1-CB 4.17Å; E78-A105 PolarHBondContact N-O 3.35Å; A105-I164 HydrophobicContact CB-CD1 3.88Å; A105-I164 HydrophobicContact CB-CG1 3.89Å; A105-I180 HydrophobicContact CB-CB 4.33Å; A105-I180 HydrophobicContact CB-CD1 4.3Å |
| 106 | R | 98.1 | Very high | 97.2 | Very high | 15 Ų | 15 | 44.2 Ų | 44.2 | 6% | 0.057 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 105 | 176.2 | -65.7 | -171.7 | 149.4 | -169.4 | -3.9 | 109.4 | E78 E86 Y104 Q112 I180 A182 | E78-R106 HydrophobicContact CG-CG 4.05Å; E78-R106 IonicContact OE1-CZ 2.81Å; E78-R106 IonicContact OE1-NE 3.35Å; E78-R106 PolarHBondContact OE1-NE 3.38Å; E78-R106 IonicContact OE1-NH2 3.5Å; E78-R106 PolarHBondContact OE1-NH2 2.8Å; E78-R106 VanDerWaalsContact OE1-NH2 3.07Å; E86-R106 IonicContact OE1-CZ 3.81Å; E86-R106 IonicContact OE1-NH1 3.63Å; E86-R106 PolarHBondContact OE1-NH1 3.03Å; E86-R106 IonicContact OE1-NH2 2.72Å; E86-R106 PolarHBondContact OE1-NH2 2.81Å; E86-R106 IonicContact OE2-NH2 3.69Å; E86-R106 PolarHBondContact OE2-NH2 2.89Å; Y104-R106 HydrophobicContact CD1-CG 3.85Å; Y104-R106 HydrophobicContact CE1-CG 3.6Å; R106-Q112 HydrophobicContact CB-CG 4.3Å; R106-I180 PolarHBondContact N-O 2.9Å; R106-A182 WeakPolarHBondContact O-CA 3.45Å; R106-A182 WeakPolarHBondContact O-CB 3.24Å; R106-A182 PolarHBondContact O-N 3Å |
| 107 | L | 98.1 | Very high | 97 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 95.1 | 179.9 | 179.5 | 47.1 | 0 | 0 | 0 | 110.1 | P16 A17 C20 L77 E78 P79 C160 A182 M184 | P16-L107 HydrophobicContact CB-CD2 3.95Å; P16-L107 HydrophobicContact CB-CG 4.27Å; A17-L107 HydrophobicContact CB-CD2 4.19Å; C20-L107 HydrophobicContact CB-CD2 4.21Å; L77-L107 HydrophobicContact CD1-CB 4.07Å; L77-L107 HydrophobicContact CD1-CD2 4.41Å; E78-L107 PolarHBondContact O-N 3.25Å; P79-L107 VanDerWaalsContact CA-O 3.28Å; P79-L107 WeakPolarHBondContact CA-O 3.26Å; L107-C160 HydrophobicContact CD1-CB 4.12Å; L107-C160 HydrophobicContact CD2-CB 3.98Å; L107-C160 HydrophobicContact CG-CB 4.48Å; L107-A182 WeakPolarHBondContact CA-O 3.18Å; L107-A182 HydrophobicContact CD1-CB 4.1Å; L107-M184 HydrophobicContact CD1-CE 3.81Å; L107-M184 HydrophobicContact CD1-CG 4.27Å; L107-M184 HydrophobicContact CG-CE 3.94Å |
| 108 | T | 96.9 | Very high | 96.8 | Very high | 10 Ų | 10 | 42.2 Ų | 42.2 | 6% | 0.061 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 160.7 | -173.5 | 61.2 | 0 | 0 | 0 | 0 | 112.3 | Y80 G111 Q112 A182 S183 M184 | Y80-T108 WeakPolarHBondContact O-CG2 3.41Å; T108-G111 VanDerWaalsContact OG1-CA 3.28Å; T108-G111 WeakPolarHBondContact OG1-CA 3.25Å; T108-G111 PolarHBondContact OG1-N 3.24Å; T108-Q112 PolarHBondContact OG1-NE2 2.8Å; T108-A182 PolarHBondContact N-O 2.81Å; T108-S183 CarbonylContact O-C 3.53Å; T108-S183 WeakPolarHBondContact O-CA 3.33Å; T108-M184 PolarHBondContact O-N 3.34Å |
| 109 | G | 96.9 | Very high | 96.7 | Very high | 8 Ų | 8 | 39.7 Ų | 39.7 | 8% | 0.082 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -61.6 | -51.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | S183 M184 V185 | G109-S183 PolarHBondContact O-OG 3.36Å; G109-M184 PolarHBondContact O-N 2.8Å; G109-V185 WeakPolarHBondContact O-CG2 3.34Å; G109-V185 PolarHBondContact O-N 3.47Å; G109-V185 VanDerWaalsContact O-N 3.1Å |
| 110 | Y | 96.9 | Very high | 96.4 | Very high | 39 Ų | 39 | 41.3 Ų | 41.3 | 15% | 0.153 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -110.9 | -1.4 | -169.9 | -61.2 | -69.2 | 0 | 0 | 0 | 114.5 | Y116 A119 Y126 M129 V185 | Y110-Y116 HydrophobicContact CD1-CG 4.44Å; Y110-Y116 VanDerWaalsContact CD2-O 3.22Å; Y110-Y116 WeakPolarHBondContact CD2-O 3.48Å; Y110-A119 HydrophobicContact CD2-CB 4.13Å; Y110-A119 HydrophobicContact CE2-CB 3.89Å; Y110-Y126 HydrophobicContact CD1-CD1 4.24Å; Y110-Y126 HydrophobicContact CD2-CD1 4.46Å; Y110-Y126 AromaticContact CD2-CE1 3.97Å; Y110-Y126 HydrophobicContact CD2-CE1 3.97Å; Y110-Y126 AromaticContact CE1-CD1 3.79Å; Y110-Y126 HydrophobicContact CE1-CD1 3.79Å; Y110-Y126 HydrophobicContact CE1-CE1 4.14Å; Y110-Y126 HydrophobicContact CE2-CD1 4.08Å; Y110-Y126 AromaticContact CE2-CE1 3.55Å; Y110-Y126 HydrophobicContact CE2-CE1 3.55Å; Y110-Y126 HydrophobicContact CG-CE1 4.45Å; Y110-Y126 AromaticContact CZ-CD1 3.71Å; Y110-Y126 AromaticContact CZ-CE1 3.63Å; Y110-M129 HydrophobicContact CE1-CB 4.46Å; Y110-M129 HydrophobicContact CE1-CG 4.05Å; Y110-V185 HydrophobicContact CD1-CG2 3.75Å; Y110-V185 HydrophobicContact CE1-CG2 4.07Å |
| 111 | G | 95.8 | Very high | 96.2 | Very high | 3 Ų | 3 | 38 Ų | 38 | 3% | 0.031 | 24% | 0.238 | C | C | . | . | trans | 85.2 | 177 | -172.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | T108 S113 D181 S183 | T108-G111 VanDerWaalsContact OG1-CA 3.28Å; T108-G111 WeakPolarHBondContact OG1-CA 3.25Å; T108-G111 PolarHBondContact OG1-N 3.24Å; G111-S113 VanDerWaalsContact C-N 3.34Å; G111-D181 WeakPolarHBondContact CA-OD1 3.29Å; G111-S183 PolarHBondContact N-OG 2.89Å | ||
| 112 | Q | 94.9 | Very high | 96 | Very high | 23 Ų | 23 | 38.5 Ų | 38.5 | 11% | 0.107 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -87 | -1.5 | -177 | -60.9 | -60.5 | -66.4 | 0 | 0 | 114.2 | K82 R106 T108 D181 | K82-Q112 WeakPolarHBondContact CD-O 3.27Å; K82-Q112 WeakPolarHBondContact CE-O 3.29Å; K82-Q112 PolarHBondContact NZ-O 2.92Å; R106-Q112 HydrophobicContact CB-CG 4.3Å; T108-Q112 PolarHBondContact OG1-NE2 2.8Å; Q112-D181 VanDerWaalsContact CB-OD2 3.32Å; Q112-D181 WeakPolarHBondContact CB-OD2 3.4Å; Q112-D181 WeakPolarHBondContact CG-OD1 3.37Å; Q112-D181 PolarHBondContact N-OD1 2.98Å; Q112-D181 PolarHBondContact N-OD2 2.99Å |
| 113 | S | 93.4 | Very high | 95.9 | Very high | 84 Ų | 84 | 39 Ų | 39 | 59% | 0.587 | 25% | 0.248 | S | C | * | . | S | Bend | trans | -133.4 | 170.6 | 179.4 | 75.5 | 0 | 0 | 0 | 0 | 111.9 | G111 | G111-S113 VanDerWaalsContact C-N 3.34Š|
| 114 | G | 93.6 | Very high | 95.9 | Very high | 62 Ų | 62 | 42.8 Ų | 42.8 | 64% | 0.639 | 27% | 0.267 | S | S | * | . | S | Bend | trans | 87.8 | 169.6 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y116 A117 | G114-Y116 PolarHBondContact O-N 3.22Å; G114-A117 WeakPolarHBondContact O-CB 3.38Å; G114-A117 PolarHBondContact O-N 3.1Å |
| 115 | C | 95.8 | Very high | 95.8 | Very high | 124 Ų | 124 | 46 Ų | 46 | 84% | 0.838 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -21.3 | -173.8 | 56.5 | 0 | 0 | 0 | 0 | 114 | ||
| 116 | Y | 95.7 | Very high | 95.8 | Very high | 117 Ų | 117 | 47.2 Ų | 47.2 | 46% | 0.459 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.4 | 2.9 | 179.1 | -68.3 | -74.8 | 0 | 0 | 0 | 114.3 | Y110 G114 S118 A119 M129 | Y110-Y116 HydrophobicContact CD1-CG 4.44Å; Y110-Y116 VanDerWaalsContact CD2-O 3.22Å; Y110-Y116 WeakPolarHBondContact CD2-O 3.48Å; G114-Y116 PolarHBondContact O-N 3.22Å; Y116-S118 PolarHBondContact O-N 3.27Å; Y116-A119 HydrophobicContact CD1-CB 3.97Å; Y116-A119 VanDerWaalsContact O-CB 3.28Å; Y116-A119 WeakPolarHBondContact O-CB 3.42Å; Y116-A119 PolarHBondContact O-N 3.44Å; Y116-M129 HydrophobicContact CD2-CE 4Å; Y116-M129 HydrophobicContact CE2-CE 3.78Å |
| 117 | A | 94.6 | Very high | 95.8 | Very high | 9 Ų | 9 | 46.5 Ų | 46.5 | 7% | 0.074 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | -26.5 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | K82 G114 | K82-A117 HydrophobicContact CD-CB 3.9Å; G114-A117 WeakPolarHBondContact O-CB 3.38Å; G114-A117 PolarHBondContact O-N 3.1Å |
| 118 | S | 93.8 | Very high | 95.7 | Very high | 80 Ų | 80 | 48.9 Ų | 48.9 | 56% | 0.559 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.4 | -1.5 | 178.5 | -54.2 | 0 | 0 | 0 | 0 | 113.4 | Y116 | Y116-S118 PolarHBondContact O-N 3.27Š|
| 119 | A | 94.3 | Very high | 95.8 | Very high | 34 Ų | 34 | 53.1 Ų | 53.1 | 28% | 0.281 | 33% | 0.326 | S | S | . | . | trans | -76.4 | 153.2 | -174.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y110 Y116 | Y110-A119 HydrophobicContact CD2-CB 4.13Å; Y110-A119 HydrophobicContact CE2-CB 3.89Å; Y116-A119 HydrophobicContact CD1-CB 3.97Å; Y116-A119 VanDerWaalsContact O-CB 3.28Å; Y116-A119 WeakPolarHBondContact O-CB 3.42Å; Y116-A119 PolarHBondContact O-N 3.44Å | ||
| 120 | A | 93.3 | Very high | 95.8 | Very high | 60 Ų | 60 | 53 Ų | 53 | 50% | 0.496 | 32% | 0.324 | S | S | . | . | trans | -79.6 | 153.9 | 167.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 121 | G | 93.8 | Very high | 95.7 | Very high | 13 Ų | 13 | 52.1 Ų | 52.1 | 13% | 0.134 | 33% | 0.328 | C | S | . | . | trans | -169.6 | 175.1 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | Y126 | G121-Y126 WeakPolarHBondContact CA-OH 3.02Å; G121-Y126 PolarHBondContact N-OH 3.39Å; G121-Y126 PolarHBondContact O-OH 3.22Å | ||
| 122 | H | 95.6 | Very high | 95.7 | Very high | 128 Ų | 128 | 52.6 Ų | 52.6 | 59% | 0.593 | 33% | 0.329 | S | S | * | . | trans | -132.3 | 173.5 | 169.4 | -65 | -78.2 | 0 | 0 | 0 | 108.6 | I124 N125 Y126 | H122-I124 PolarHBondContact O-N 2.88Å; H122-N125 PolarHBondContact N-OD1 3.2Å; H122-N125 WeakPolarHBondContact O-CB 3.33Å; H122-N125 PolarHBondContact O-N 3.49Å; H122-Y126 WeakPolarHBondContact O-CD2 3.47Å; H122-Y126 PolarHBondContact O-N 3.24Å | ||
| 123 | D | 96.4 | Very high | 95.7 | Very high | 9 Ų | 9 | 52.5 Ų | 52.5 | 5% | 0.048 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -36.5 | -54.7 | 180 | 178.4 | 93.8 | 0 | 0 | 0 | 113 | N125 Y126 L127 N148 A151 D152 | D123-N125 VanDerWaalsContact C-N 3.27Å; D123-N125 PolarHBondContact O-N 3.42Å; D123-Y126 PolarHBondContact O-N 2.84Å; D123-L127 WeakPolarHBondContact O-CB 2.92Å; D123-L127 PolarHBondContact O-N 3.16Å; D123-N148 HydrophobicContact CB-CB 3.96Å; D123-N148 VanDerWaalsContact CG-CA 3.46Å; D123-N148 WeakPolarHBondContact OD1-CA 3.39Å; D123-A151 WeakPolarHBondContact OD1-CA 3.45Å; D123-A151 WeakPolarHBondContact OD1-CB 3.26Å; D123-A151 PolarHBondContact OD1-N 3.23Å; D123-D152 HydrophobicContact CB-CB 4.39Å; D123-D152 PolarHBondContact OD1-N 3.35Å |
| 124 | I | 97.8 | Very high | 95.8 | Very high | 81 Ų | 81 | 51.1 Ų | 51.1 | 42% | 0.415 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -58.2 | -35.3 | -177.3 | -168.1 | 173.2 | 0 | 0 | 0 | 113.5 | H122 A128 L133 A145 | H122-I124 PolarHBondContact O-N 2.88Å; I124-A128 WeakPolarHBondContact O-CB 3.4Å; I124-A128 PolarHBondContact O-N 3.1Å; I124-L133 HydrophobicContact CG1-CD2 3.96Å; I124-A145 HydrophobicContact CB-CB 4.42Å; I124-A145 HydrophobicContact CD1-CB 3.79Å; I124-A145 HydrophobicContact CG1-CB 3.95Å |
| 125 | N | 97.8 | Very high | 95.8 | Very high | 68 Ų | 68 | 50.4 Ų | 50.4 | 36% | 0.364 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -72.5 | -39.4 | 178.4 | -54.6 | 115.8 | 0 | 0 | 0 | 111.1 | H122 D123 M129 | H122-N125 PolarHBondContact N-OD1 3.2Å; H122-N125 WeakPolarHBondContact O-CB 3.33Å; H122-N125 PolarHBondContact O-N 3.49Å; D123-N125 VanDerWaalsContact C-N 3.27Å; D123-N125 PolarHBondContact O-N 3.42Å; N125-M129 WeakPolarHBondContact O-CG 3.41Å; N125-M129 PolarHBondContact O-N 3.29Å; N125-M129 VanDerWaalsContact O-N 3.08Å |
| 126 | Y | 97.7 | Very high | 95.7 | Very high | 25 Ų | 25 | 47.3 Ų | 47.3 | 10% | 0.098 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -70.1 | -43.3 | 178.1 | -49.3 | -39.1 | 0 | 0 | 0 | 110.5 | Y110 G121 H122 D123 A128 M129 S130 M184 V185 | Y110-Y126 HydrophobicContact CD1-CD1 4.24Å; Y110-Y126 HydrophobicContact CD2-CD1 4.46Å; Y110-Y126 AromaticContact CD2-CE1 3.97Å; Y110-Y126 HydrophobicContact CD2-CE1 3.97Å; Y110-Y126 AromaticContact CE1-CD1 3.79Å; Y110-Y126 HydrophobicContact CE1-CD1 3.79Å; Y110-Y126 HydrophobicContact CE1-CE1 4.14Å; Y110-Y126 HydrophobicContact CE2-CD1 4.08Å; Y110-Y126 AromaticContact CE2-CE1 3.55Å; Y110-Y126 HydrophobicContact CE2-CE1 3.55Å; Y110-Y126 HydrophobicContact CG-CE1 4.45Å; Y110-Y126 AromaticContact CZ-CD1 3.71Å; Y110-Y126 AromaticContact CZ-CE1 3.63Å; G121-Y126 WeakPolarHBondContact CA-OH 3.02Å; G121-Y126 PolarHBondContact N-OH 3.39Å; G121-Y126 PolarHBondContact O-OH 3.22Å; H122-Y126 WeakPolarHBondContact O-CD2 3.47Å; H122-Y126 PolarHBondContact O-N 3.24Å; D123-Y126 PolarHBondContact O-N 2.84Å; Y126-A128 VanDerWaalsContact C-N 3.33Å; Y126-A128 PolarHBondContact O-N 2.83Å; Y126-M129 PolarHBondContact O-N 2.86Å; Y126-S130 PolarHBondContact O-N 3.15Å; Y126-M184 HydrophobicContact CD2-CB 4Å; Y126-M184 HydrophobicContact CD2-CG 4.44Å; Y126-M184 HydrophobicContact CD2-SD 3.56Å; Y126-M184 VanDerWaalsContact CD2-SD 3.56Å; Y126-M184 HydrophobicContact CE2-SD 3.6Å; Y126-M184 HydrophobicContact CG-CB 4.15Å; Y126-V185 HydrophobicContact CD1-CG2 4.38Å |
| 127 | L | 98 | Very high | 95.7 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62.4 | -39.8 | 174.6 | -172.8 | 58.8 | 0 | 0 | 0 | 112 | D123 S130 L132 L133 L136 P146 V150 A151 A188 | D123-L127 WeakPolarHBondContact O-CB 2.92Å; D123-L127 PolarHBondContact O-N 3.16Å; L127-S130 PolarHBondContact O-N 2.93Å; L127-S130 PolarHBondContact O-OG 3.03Å; L127-L132 HydrophobicContact CD1-CB 3.82Å; L127-L133 HydrophobicContact CD2-CB 4.49Å; L127-L133 HydrophobicContact CD2-CD1 4.04Å; L127-L133 HydrophobicContact CG-CB 4.01Å; L127-L133 HydrophobicContact CG-CD1 4.46Å; L127-L133 PolarHBondContact O-N 2.72Å; L127-L136 HydrophobicContact CD2-CD1 4.15Å; L127-P146 HydrophobicContact CD2-CG 3.78Å; L127-V150 HydrophobicContact CD1-CB 3.76Å; L127-V150 HydrophobicContact CD1-CG1 3.39Å; L127-V150 HydrophobicContact CD2-CB 4.22Å; L127-A151 HydrophobicContact CB-CB 4.05Å; L127-A188 HydrophobicContact CD1-CB 4.45Å |
| 128 | A | 97.6 | Very high | 95.7 | Very high | 49 Ų | 49 | 46.4 Ų | 46.4 | 41% | 0.405 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -60.1 | -48.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | I124 Y126 S130 G131 L133 | I124-A128 WeakPolarHBondContact O-CB 3.4Å; I124-A128 PolarHBondContact O-N 3.1Å; Y126-A128 VanDerWaalsContact C-N 3.33Å; Y126-A128 PolarHBondContact O-N 2.83Å; A128-S130 VanDerWaalsContact C-N 3.28Å; A128-S130 PolarHBondContact O-N 2.69Å; A128-G131 PolarHBondContact O-N 2.89Å; A128-G131 VanDerWaalsContact O-N 3.13Å; A128-L133 HydrophobicContact CB-CB 4.45Å; A128-L133 HydrophobicContact CB-CD2 3.81Å |
| 129 | M | 97.3 | Very high | 95.8 | Very high | 99 Ų | 99 | 45 Ų | 45 | 49% | 0.488 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -70 | -23.3 | -179.8 | -72.3 | -66 | -67.9 | 0 | 0 | 113.3 | Y110 Y116 N125 Y126 G131 V185 | Y110-M129 HydrophobicContact CE1-CB 4.46Å; Y110-M129 HydrophobicContact CE1-CG 4.05Å; Y116-M129 HydrophobicContact CD2-CE 4Å; Y116-M129 HydrophobicContact CE2-CE 3.78Å; N125-M129 WeakPolarHBondContact O-CG 3.41Å; N125-M129 PolarHBondContact O-N 3.29Å; N125-M129 VanDerWaalsContact O-N 3.08Å; Y126-M129 PolarHBondContact O-N 2.86Å; M129-G131 PolarHBondContact O-N 2.72Å; M129-V185 HydrophobicContact CB-CG1 4.08Å; M129-V185 HydrophobicContact CB-CG2 3.8Å |
| 130 | S | 97 | Very high | 95.8 | Very high | 5 Ų | 5 | 47.4 Ų | 47.4 | 4% | 0.035 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -13.8 | 172.5 | 80.9 | 0 | 0 | 0 | 0 | 113.4 | Y126 L127 A128 L132 V185 W196 | Y126-S130 PolarHBondContact O-N 3.15Å; L127-S130 PolarHBondContact O-N 2.93Å; L127-S130 PolarHBondContact O-OG 3.03Å; A128-S130 VanDerWaalsContact C-N 3.28Å; A128-S130 PolarHBondContact O-N 2.69Å; S130-L132 PolarHBondContact O-N 2.83Å; S130-L132 PolarHBondContact OG-N 3.38Å; S130-V185 WeakPolarHBondContact CB-O 3.34Å; S130-W196 WeakPolarHBondContact O-CZ2 3.15Å |
| 131 | G | 94.9 | Very high | 96 | Very high | 22 Ų | 22 | 48.9 Ų | 48.9 | 23% | 0.227 | 29% | 0.289 | C | S | . | . | S | Bend | trans | 82.8 | -16.2 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | A128 M129 S134 | A128-G131 PolarHBondContact O-N 2.89Å; A128-G131 VanDerWaalsContact O-N 3.13Å; M129-G131 PolarHBondContact O-N 2.72Å; G131-S134 PolarHBondContact O-N 3.24Å; G131-S134 PolarHBondContact O-OG 3.37Å |
| 132 | L | 95.6 | Very high | 96.1 | Very high | 13 Ų | 13 | 55.8 Ų | 55.8 | 7% | 0.068 | 32% | 0.315 | C | S | . | . | G | 310 helix | trans | -70.7 | -34.5 | -175.7 | -60.8 | -171.3 | 0 | 0 | 0 | 113.5 | L127 S130 S134 Q135 V150 A188 L195 | L127-L132 HydrophobicContact CD1-CB 3.82Å; S130-L132 PolarHBondContact O-N 2.83Å; S130-L132 PolarHBondContact OG-N 3.38Å; L132-S134 PolarHBondContact O-N 2.91Å; L132-S134 VanDerWaalsContact O-N 3.08Å; L132-Q135 PolarHBondContact O-N 3.22Å; L132-V150 HydrophobicContact CD1-CG1 4.23Å; L132-A188 WeakPolarHBondContact CD1-O 3.06Å; L132-L195 HydrophobicContact CD2-CD1 3.7Å |
| 133 | L | 96.8 | Very high | 96.1 | Very high | 21 Ų | 21 | 52.3 Ų | 52.3 | 11% | 0.11 | 30% | 0.304 | C | S | . | . | G | 310 helix | trans | -54.8 | -34.7 | 179.5 | -172.2 | 57.8 | 0 | 0 | 0 | 111.8 | I124 L127 A128 Q135 L136 P143 Y144 A145 | I124-L133 HydrophobicContact CG1-CD2 3.96Å; L127-L133 HydrophobicContact CD2-CB 4.49Å; L127-L133 HydrophobicContact CD2-CD1 4.04Å; L127-L133 HydrophobicContact CG-CB 4.01Å; L127-L133 HydrophobicContact CG-CD1 4.46Å; L127-L133 PolarHBondContact O-N 2.72Å; A128-L133 HydrophobicContact CB-CB 4.45Å; A128-L133 HydrophobicContact CB-CD2 3.81Å; L133-Q135 PolarHBondContact O-N 3.15Å; L133-L136 PolarHBondContact O-N 3.12Å; L133-L136 VanDerWaalsContact O-N 3.08Å; L133-P143 HydrophobicContact CD1-CB 4.33Å; L133-P143 HydrophobicContact CG-CB 4.02Å; L133-P143 WeakPolarHBondContact O-CB 3.41Å; L133-Y144 WeakPolarHBondContact CD1-O 3.31Å; L133-A145 HydrophobicContact CD1-CB 4.45Å |
| 134 | S | 94.3 | Very high | 96 | Very high | 54 Ų | 54 | 56.3 Ų | 56.3 | 38% | 0.378 | 32% | 0.319 | S | S | . | . | G | 310 helix | trans | -58.8 | -21.5 | -179.8 | 73.2 | 0 | 0 | 0 | 0 | 114 | G131 L132 R208 | G131-S134 PolarHBondContact O-N 3.24Å; G131-S134 PolarHBondContact O-OG 3.37Å; L132-S134 PolarHBondContact O-N 2.91Å; L132-S134 VanDerWaalsContact O-N 3.08Å; S134-R208 WeakPolarHBondContact O-CD 3.39Å; S134-R208 PolarHBondContact O-NH1 3.41Å |
| 135 | Q | 93.3 | Very high | 95.9 | Very high | 48 Ų | 48 | 54.6 Ų | 54.6 | 22% | 0.224 | 32% | 0.317 | C | S | . | . | G | 310 helix | trans | -97.5 | -8.3 | -177.7 | -55 | -57.8 | -62.2 | 0 | 0 | 113.1 | L132 L133 | L132-Q135 PolarHBondContact O-N 3.22Å; L133-Q135 PolarHBondContact O-N 3.15Å |
| 136 | L | 95.2 | Very high | 95.7 | Very high | 58 Ų | 58 | 53.3 Ų | 53.3 | 30% | 0.304 | 31% | 0.313 | S | S | . | . | trans | -98.5 | 120.9 | -173.7 | -59.8 | -179.9 | 0 | 0 | 0 | 111.2 | L127 L133 P143 Y144 P146 R208 | L127-L136 HydrophobicContact CD2-CD1 4.15Å; L133-L136 PolarHBondContact O-N 3.12Å; L133-L136 VanDerWaalsContact O-N 3.08Å; L136-P143 CarbonylContact O-C 3.59Å; L136-P143 WeakPolarHBondContact O-CA 3.24Å; L136-Y144 WeakPolarHBondContact CB-O 3.43Å; L136-Y144 PolarHBondContact O-N 2.98Å; L136-P146 HydrophobicContact CD1-CB 4.3Å; L136-P146 HydrophobicContact CD1-CG 3.62Å; L136-R208 VanDerWaalsContact C-CD 3.43Å; L136-R208 WeakPolarHBondContact O-CD 3.27Å | ||
| 137 | G | 94.9 | Very high | 95.6 | Very high | 19 Ų | 19 | 58.6 Ų | 58.6 | 20% | 0.196 | 34% | 0.342 | C | S | . | . | S | Bend | trans | 132.7 | 173 | 179 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y144 R208 | G137-Y144 VanDerWaalsContact CA-CD2 3.46Å; G137-R208 VanDerWaalsContact O-CG 3.3Å; G137-R208 WeakPolarHBondContact O-CG 3.27Å |
| 138 | R | 95.2 | Very high | 95.5 | Very high | 88 Ų | 88 | 61 Ų | 61 | 33% | 0.332 | 36% | 0.355 | S | S | . | . | trans | -80.7 | 163.5 | -179.5 | -57.5 | -64.8 | -174 | 161.8 | -2 | 111.6 | E141 Y144 S215 D221 T222 | R138-E141 HydrophobicContact CB-CB 4.46Å; R138-E141 HydrophobicContact CB-CG 4.22Å; R138-E141 WeakPolarHBondContact CB-OE2 3.39Å; R138-E141 PolarHBondContact O-N 2.89Å; R138-Y144 HydrophobicContact CG-CE2 4.48Å; R138-S215 WeakPolarHBondContact CD-OG 3.43Å; R138-S215 PolarHBondContact NH1-OG 2.73Å; R138-S215 VanDerWaalsContact NH1-OG 3.09Å; R138-D221 IonicContact CZ-OD1 2.76Å; R138-D221 VanDerWaalsContact NH1-CG 3.31Å; R138-D221 IonicContact NH1-OD1 3.06Å; R138-D221 PolarHBondContact NH1-OD1 3.3Å; R138-D221 IonicContact NH1-OD2 2.73Å; R138-D221 PolarHBondContact NH1-OD2 3.07Å; R138-D221 IonicContact NH2-OD1 3.05Å; R138-D221 PolarHBondContact NH2-OD1 2.92Å; R138-T222 PolarHBondContact NH2-OG1 3.47Å | ||
| 139 | S | 95.1 | Very high | 95.4 | Very high | 52 Ų | 52 | 63.1 Ų | 63.1 | 36% | 0.364 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | 141.6 | 173.9 | 179.7 | 0 | 0 | 0 | 0 | 110.8 | E141 R208 E210 | S139-E141 PolarHBondContact O-N 2.94Å; S139-R208 WeakPolarHBondContact CA-O 3.47Å; S139-R208 WeakPolarHBondContact CB-O 3.18Å; S139-E210 PolarHBondContact OG-OE1 3.47Å |
| 140 | G | 94.9 | Very high | 95.4 | Very high | 84 Ų | 84 | 59.9 Ų | 59.9 | 87% | 0.866 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.3 | -9.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 141 | E | 96 | Very high | 95.5 | Very high | 91 Ų | 91 | 59.7 Ų | 59.7 | 43% | 0.425 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -98.2 | 170.2 | -177.7 | -60.7 | -170.9 | 151.9 | 0 | 0 | 112.2 | R138 S139 Y144 R208 | R138-E141 HydrophobicContact CB-CB 4.46Å; R138-E141 HydrophobicContact CB-CG 4.22Å; R138-E141 WeakPolarHBondContact CB-OE2 3.39Å; R138-E141 PolarHBondContact O-N 2.89Å; S139-E141 PolarHBondContact O-N 2.94Å; E141-Y144 WeakPolarHBondContact CB-OH 3.4Å; E141-Y144 VanDerWaalsContact OE2-CE2 3.3Å; E141-Y144 WeakPolarHBondContact OE2-CE2 3.38Å; E141-Y144 VanDerWaalsContact OE2-CZ 3.25Å; E141-Y144 PolarHBondContact OE2-OH 3.34Å; E141-R208 PolarHBondContact O-NH2 3.17Å |
| 142 | K | 95.8 | Very high | 95.6 | Very high | 157 Ų | 157 | 59.6 Ų | 59.6 | 68% | 0.683 | 34% | 0.337 | S | S | * | . | P | Polyproline II helix | trans | -70.2 | 156.5 | 172.9 | 67.8 | 178.6 | -178.2 | 179.6 | 0 | 111.2 | Y144 | K142-Y144 HydrophobicContact CG-CD1 4.34Å; K142-Y144 HydrophobicContact CG-CE1 3.82Å; K142-Y144 WeakPolarHBondContact O-CE1 3.43Å |
| 143 | P | 96.5 | Very high | 95.7 | Very high | 55 Ų | 55 | 60.6 Ų | 60.6 | 36% | 0.357 | 34% | 0.341 | S | S | . | . | P | Polyproline II helix | trans | -56.4 | 145.5 | 170.4 | -24.4 | 33.3 | 0 | 0 | 0 | 113.4 | L133 L136 | L133-P143 HydrophobicContact CD1-CB 4.33Å; L133-P143 HydrophobicContact CG-CB 4.02Å; L133-P143 WeakPolarHBondContact O-CB 3.41Å; L136-P143 CarbonylContact O-C 3.59Å; L136-P143 WeakPolarHBondContact O-CA 3.24Å |
| 144 | Y | 94.3 | Very high | 95.7 | Very high | 94 Ų | 94 | 61 Ų | 61 | 37% | 0.369 | 35% | 0.348 | S | S | . | . | trans | -112.6 | 128.2 | 178.8 | -61 | -40.3 | 0 | 0 | 0 | 112.3 | L133 L136 G137 R138 E141 K142 | L133-Y144 WeakPolarHBondContact CD1-O 3.31Å; L136-Y144 WeakPolarHBondContact CB-O 3.43Å; L136-Y144 PolarHBondContact O-N 2.98Å; G137-Y144 VanDerWaalsContact CA-CD2 3.46Å; R138-Y144 HydrophobicContact CG-CE2 4.48Å; E141-Y144 WeakPolarHBondContact CB-OH 3.4Å; E141-Y144 VanDerWaalsContact OE2-CE2 3.3Å; E141-Y144 WeakPolarHBondContact OE2-CE2 3.38Å; E141-Y144 VanDerWaalsContact OE2-CZ 3.25Å; E141-Y144 PolarHBondContact OE2-OH 3.34Å; K142-Y144 HydrophobicContact CG-CD1 4.34Å; K142-Y144 HydrophobicContact CG-CE1 3.82Å; K142-Y144 WeakPolarHBondContact O-CE1 3.43Å | ||
| 145 | A | 94.9 | Very high | 95.9 | Very high | 45 Ų | 45 | 58.5 Ų | 58.5 | 37% | 0.372 | 33% | 0.33 | S | S | . | . | trans | -76.4 | 122.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | I124 L133 L147 | I124-A145 HydrophobicContact CB-CB 4.42Å; I124-A145 HydrophobicContact CD1-CB 3.79Å; I124-A145 HydrophobicContact CG1-CB 3.95Å; L133-A145 HydrophobicContact CD1-CB 4.45Å; A145-L147 PolarHBondContact O-N 3.09Å | ||
| 146 | P | 94.8 | Very high | 96.1 | Very high | 41 Ų | 41 | 56.2 Ų | 56.2 | 27% | 0.266 | 32% | 0.319 | S | S | . | . | trans | -81.8 | 61.5 | -177.5 | 37 | -37.5 | 0 | 0 | 0 | 110.8 | L127 L136 L149 V150 | L127-P146 HydrophobicContact CD2-CG 3.78Å; L136-P146 HydrophobicContact CD1-CB 4.3Å; L136-P146 HydrophobicContact CD1-CG 3.62Å; P146-L149 PolarHBondContact O-N 3.49Å; P146-V150 HydrophobicContact CB-CG2 4.31Å; P146-V150 HydrophobicContact CG-CB 4.22Å; P146-V150 HydrophobicContact CG-CG2 3.45Å; P146-V150 VanDerWaalsContact CG-CG2 3.45Å | ||
| 147 | L | 95.5 | Very high | 96.3 | Very high | 136 Ų | 136 | 53.4 Ų | 53.4 | 71% | 0.712 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.5 | -137.7 | -168.9 | -50 | 175 | 0 | 0 | 0 | 109.8 | A145 L149 | A145-L147 PolarHBondContact O-N 3.09Å; L147-L149 HydrophobicContact CB-CG 4.37Å; L147-L149 HydrophobicContact CD1-CD1 4.44Å |
| 148 | N | 94.7 | Very high | 96.4 | Very high | 51 Ų | 51 | 57 Ų | 57 | 27% | 0.273 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.4 | 25.1 | 172.5 | 70.8 | -41.6 | 0 | 0 | 0 | 112.9 | D123 D152 F153 | D123-N148 HydrophobicContact CB-CB 3.96Å; D123-N148 VanDerWaalsContact CG-CA 3.46Å; D123-N148 WeakPolarHBondContact OD1-CA 3.39Å; N148-D152 HydrophobicContact CB-CB 4.14Å; N148-D152 WeakPolarHBondContact O-CB 3.21Å; N148-F153 PolarHBondContact O-N 3.31Å |
| 149 | L | 97.1 | Very high | 96.6 | Very high | 92 Ų | 92 | 54.3 Ų | 54.3 | 48% | 0.482 | 31% | 0.312 | S | S | . | . | I | π-helix | trans | -77.1 | -28.5 | -171.6 | -64.9 | 176.8 | 0 | 0 | 0 | 113.1 | P146 L147 F153 A154 | P146-L149 PolarHBondContact O-N 3.49Å; L147-L149 HydrophobicContact CB-CG 4.37Å; L147-L149 HydrophobicContact CD1-CD1 4.44Å; L149-F153 HydrophobicContact CD2-CD2 4.03Å; L149-A154 VanDerWaalsContact O-CB 3.31Å; L149-A154 WeakPolarHBondContact O-CB 2.98Å; L149-A154 PolarHBondContact O-N 3.45Å |
| 150 | V | 97.2 | Very high | 96.8 | Very high | 32 Ų | 32 | 51.9 Ų | 51.9 | 19% | 0.194 | 30% | 0.295 | C | S | . | . | I | π-helix | trans | -93.6 | -51.5 | -169.2 | -175.5 | 0 | 0 | 0 | 0 | 112.7 | L127 L132 P146 G155 A188 | L127-V150 HydrophobicContact CD1-CB 3.76Å; L127-V150 HydrophobicContact CD1-CG1 3.39Å; L127-V150 HydrophobicContact CD2-CB 4.22Å; L132-V150 HydrophobicContact CD1-CG1 4.23Å; P146-V150 HydrophobicContact CB-CG2 4.31Å; P146-V150 HydrophobicContact CG-CB 4.22Å; P146-V150 HydrophobicContact CG-CG2 3.45Å; P146-V150 VanDerWaalsContact CG-CG2 3.45Å; V150-G155 WeakPolarHBondContact O-CA 3.41Å; V150-G155 PolarHBondContact O-N 3.28Å; V150-A188 HydrophobicContact CG1-CB 4.4Å |
| 151 | A | 97.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 25% | 0.254 | C | S | . | . | I | π-helix | trans | -88.7 | -47 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112 | D123 L127 G155 G156 M184 A188 | D123-A151 WeakPolarHBondContact OD1-CA 3.45Å; D123-A151 WeakPolarHBondContact OD1-CB 3.26Å; D123-A151 PolarHBondContact OD1-N 3.23Å; L127-A151 HydrophobicContact CB-CB 4.05Å; A151-G155 CarbonylContact O-C 3.57Å; A151-G156 WeakPolarHBondContact O-CA 3.41Å; A151-G156 PolarHBondContact O-N 2.84Å; A151-M184 HydrophobicContact CB-CB 4.49Å; A151-A188 HydrophobicContact CB-CB 4.3Å |
| 152 | D | 97.4 | Very high | 97.1 | Very high | 20 Ų | 20 | 47.8 Ų | 47.8 | 11% | 0.107 | 26% | 0.256 | C | S | . | . | I | π-helix | trans | -67.7 | -54.6 | 178.7 | -79.5 | -0.3 | 0 | 0 | 0 | 110.9 | P16 D123 N148 G156 G157 | P16-D152 HydrophobicContact CB-CB 4.34Å; P16-D152 WeakPolarHBondContact CB-O 3.23Å; P16-D152 HydrophobicContact CG-CB 4.39Å; D123-D152 HydrophobicContact CB-CB 4.39Å; D123-D152 PolarHBondContact OD1-N 3.35Å; N148-D152 HydrophobicContact CB-CB 4.14Å; N148-D152 WeakPolarHBondContact O-CB 3.21Å; D152-G156 CarbonylContact O-C 3.59Å; D152-G156 VanDerWaalsContact O-CA 3.3Å; D152-G156 WeakPolarHBondContact O-CA 3.49Å; D152-G156 PolarHBondContact O-N 3.47Å; D152-G157 PolarHBondContact O-N 3.12Å |
| 153 | F | 97.7 | Very high | 97.2 | Very high | 35 Ų | 35 | 41 Ų | 41 | 15% | 0.154 | 23% | 0.231 | C | C | . | . | I | π-helix | trans | -86.2 | -62.5 | -172.2 | -72.8 | 1.6 | 0 | 0 | 0 | 113.4 | A15 F19 N148 L149 G157 L158 | A15-F153 HydrophobicContact CB-CE1 3.94Å; F19-F153 HydrophobicContact CB-CD1 4Å; F19-F153 HydrophobicContact CB-CE1 3.88Å; F19-F153 HydrophobicContact CD1-CB 4.04Å; F19-F153 AromaticContact CD1-CD1 3.95Å; F19-F153 HydrophobicContact CD1-CD1 3.95Å; F19-F153 AromaticContact CD1-CG 3.98Å; F19-F153 HydrophobicContact CD1-CG 3.98Å; F19-F153 HydrophobicContact CE1-CB 3.97Å; F19-F153 HydrophobicContact CE1-CG 4.22Å; F19-F153 AromaticContact CG-CD1 3.96Å; F19-F153 HydrophobicContact CG-CD1 3.96Å; F19-F153 HydrophobicContact CG-CE1 4.13Å; F19-F153 HydrophobicContact CG-CG 4.22Å; N148-F153 PolarHBondContact O-N 3.31Å; L149-F153 HydrophobicContact CD2-CD2 4.03Å; F153-G157 PolarHBondContact O-N 3Å; F153-L158 WeakPolarHBondContact O-CB 3.28Å; F153-L158 PolarHBondContact O-N 2.92Å |
| 154 | A | 98.1 | Very high | 97.3 | Very high | 30 Ų | 30 | 38.4 Ų | 38.4 | 25% | 0.248 | 21% | 0.214 | C | C | . | . | I | π-helix | trans | -67.9 | -50.3 | -177 | 0 | 0 | 0 | 0 | 0 | 111.9 | L149 T159 T191 | L149-A154 VanDerWaalsContact O-CB 3.31Å; L149-A154 WeakPolarHBondContact O-CB 2.98Å; L149-A154 PolarHBondContact O-N 3.45Å; A154-T159 WeakPolarHBondContact O-CG2 3.43Å; A154-T191 HydrophobicContact CB-CG2 4.27Å |
| 155 | G | 97.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 21% | 0.213 | C | C | . | . | I | π-helix | trans | -80.7 | -21.2 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | V150 A151 T159 G187 | V150-G155 WeakPolarHBondContact O-CA 3.41Å; V150-G155 PolarHBondContact O-N 3.28Å; A151-G155 CarbonylContact O-C 3.57Å; G155-T159 PolarHBondContact O-OG1 2.88Å; G155-G187 VanDerWaalsContact CA-C 3.42Å; G155-G187 VanDerWaalsContact O-CA 3.28Å; G155-G187 WeakPolarHBondContact O-CA 3.49Å |
| 156 | G | 97.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 22% | 0.22 | C | C | . | . | I | π-helix | trans | -107.7 | -77.1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | A151 D152 T159 C160 | A151-G156 WeakPolarHBondContact O-CA 3.41Å; A151-G156 PolarHBondContact O-N 2.84Å; D152-G156 CarbonylContact O-C 3.59Å; D152-G156 VanDerWaalsContact O-CA 3.3Å; D152-G156 WeakPolarHBondContact O-CA 3.49Å; D152-G156 PolarHBondContact O-N 3.47Å; G156-T159 PolarHBondContact O-OG1 2.97Å; G156-C160 WeakPolarHBondContact O-CB 2.93Å; G156-C160 PolarHBondContact O-N 3.49Å |
| 157 | G | 98.1 | Very high | 97.9 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 21% | 0.208 | C | C | . | . | I | π-helix | trans | -64.3 | -45.2 | -171.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | P16 D152 F153 A161 | P16-G157 WeakPolarHBondContact O-CA 3.43Å; D152-G157 PolarHBondContact O-N 3.12Å; F153-G157 PolarHBondContact O-N 3Å; G157-A161 WeakPolarHBondContact O-CB 3.4Å; G157-A161 PolarHBondContact O-N 3.37Å |
| 158 | L | 98.4 | Very high | 98.1 | Very high | 94 Ų | 94 | 32.2 Ų | 32.2 | 49% | 0.492 | 18% | 0.178 | S | C | . | . | I | π-helix | trans | -69.6 | -44.5 | -179 | -177.6 | 63.4 | 0 | 0 | 0 | 112.4 | F19 I23 F153 C160 A161 L162 | F19-L158 HydrophobicContact CE1-CB 4.41Å; I23-L158 HydrophobicContact CD1-CD1 4.07Å; F153-L158 WeakPolarHBondContact O-CB 3.28Å; F153-L158 PolarHBondContact O-N 2.92Å; L158-C160 VanDerWaalsContact C-N 3.35Å; L158-A161 PolarHBondContact O-N 2.91Å; L158-L162 WeakPolarHBondContact O-CB 2.94Å; L158-L162 PolarHBondContact O-N 3.01Å |
| 159 | T | 98.4 | Very high | 98.3 | Very high | 32 Ų | 32 | 34.8 Ų | 34.8 | 20% | 0.196 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -66.3 | -36.7 | 176.2 | 54.7 | 0 | 0 | 0 | 0 | 111.8 | A154 G155 G156 L162 G163 T191 | A154-T159 WeakPolarHBondContact O-CG2 3.43Å; G155-T159 PolarHBondContact O-OG1 2.88Å; G156-T159 PolarHBondContact O-OG1 2.97Å; T159-L162 PolarHBondContact O-N 3.19Å; T159-G163 PolarHBondContact O-N 2.77Å; T159-T191 HydrophobicContact CG2-CG2 4.43Å |
| 160 | C | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -66.3 | -45.5 | 175.4 | -171.6 | 0 | 0 | 0 | 0 | 111.3 | L107 G156 L158 L162 G163 I164 A182 | L107-C160 HydrophobicContact CD1-CB 4.12Å; L107-C160 HydrophobicContact CD2-CB 3.98Å; L107-C160 HydrophobicContact CG-CB 4.48Å; G156-C160 WeakPolarHBondContact O-CB 2.93Å; G156-C160 PolarHBondContact O-N 3.49Å; L158-C160 VanDerWaalsContact C-N 3.35Å; C160-L162 VanDerWaalsContact C-N 3.32Å; C160-L162 PolarHBondContact O-N 3.16Å; C160-G163 PolarHBondContact O-N 2.9Å; C160-G163 VanDerWaalsContact O-N 3.12Å; C160-I164 WeakPolarHBondContact O-CG1 3.23Å; C160-I164 PolarHBondContact O-N 3.5Å; C160-A182 HydrophobicContact CB-CB 3.87Å |
| 161 | A | 98.8 | Very high | 98.4 | Very high | 1 Ų | 1 | 33.7 Ų | 33.7 | 1% | 0.008 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -59.2 | -44 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | C20 I23 G157 L158 G163 I164 I165 | C20-A161 PolarHBondContact SG-N 3.22Å; I23-A161 HydrophobicContact CB-CB 4.28Å; I23-A161 HydrophobicContact CD1-CB 4.16Å; I23-A161 HydrophobicContact CG2-CB 4Å; G157-A161 WeakPolarHBondContact O-CB 3.4Å; G157-A161 PolarHBondContact O-N 3.37Å; L158-A161 PolarHBondContact O-N 2.91Å; A161-G163 PolarHBondContact O-N 3.43Å; A161-I164 PolarHBondContact O-N 3.36Å; A161-I165 VanDerWaalsContact O-CG1 3.29Å; A161-I165 WeakPolarHBondContact O-CG1 3.49Å; A161-I165 PolarHBondContact O-N 3.48Å |
| 162 | L | 98.7 | Very high | 98.4 | Very high | 88 Ų | 88 | 38.9 Ų | 38.9 | 46% | 0.461 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -58.7 | -46.4 | 172.9 | 176.4 | 62.3 | 0 | 0 | 0 | 111.5 | L158 T159 C160 I164 I165 L166 | L158-L162 WeakPolarHBondContact O-CB 2.94Å; L158-L162 PolarHBondContact O-N 3.01Å; T159-L162 PolarHBondContact O-N 3.19Å; C160-L162 VanDerWaalsContact C-N 3.32Å; C160-L162 PolarHBondContact O-N 3.16Å; L162-I164 VanDerWaalsContact C-N 3.33Å; L162-I164 PolarHBondContact O-N 2.87Å; L162-I165 PolarHBondContact O-N 3.35Å; L162-L166 HydrophobicContact CD1-CD1 4.17Å; L162-L166 HydrophobicContact CD1-CG 4.11Å; L162-L166 HydrophobicContact CG-CD1 4Å; L162-L166 HydrophobicContact CG-CG 4.37Å; L162-L166 WeakPolarHBondContact O-CB 3.12Å; L162-L166 VanDerWaalsContact O-CG 3.27Å; L162-L166 WeakPolarHBondContact O-CG 3.42Å; L162-L166 PolarHBondContact O-N 2.82Å |
| 163 | G | 98.8 | Very high | 98.5 | Very high | 16 Ų | 16 | 46.6 Ų | 46.6 | 17% | 0.165 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -58.6 | -42.6 | 177 | 0 | 0 | 0 | 0 | 0 | 112.8 | T159 C160 A161 L166 A167 I180 | T159-G163 PolarHBondContact O-N 2.77Å; C160-G163 PolarHBondContact O-N 2.9Å; C160-G163 VanDerWaalsContact O-N 3.12Å; A161-G163 PolarHBondContact O-N 3.43Å; G163-L166 PolarHBondContact O-N 3.05Å; G163-A167 WeakPolarHBondContact O-CB 3.37Å; G163-A167 PolarHBondContact O-N 2.66Å; G163-I180 VanDerWaalsContact C-CD1 3.45Å; G163-I180 WeakPolarHBondContact O-CD1 3.19Å |
| 164 | I | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62.8 | -46.3 | 176.1 | -70 | 163.9 | 0 | 0 | 0 | 110.4 | L24 V75 A105 C160 A161 L162 L166 A167 L168 I180 | L24-I164 HydrophobicContact CD1-CD1 3.88Å; L24-I164 HydrophobicContact CD1-CG2 4.27Å; L24-I164 HydrophobicContact CD2-CG2 4.2Å; V75-I164 HydrophobicContact CG1-CD1 4Å; V75-I164 HydrophobicContact CG1-CG1 4.13Å; V75-I164 HydrophobicContact CG1-CG2 4.04Å; V75-I164 HydrophobicContact CG2-CG2 3.8Å; A105-I164 HydrophobicContact CB-CD1 3.88Å; A105-I164 HydrophobicContact CB-CG1 3.89Å; C160-I164 WeakPolarHBondContact O-CG1 3.23Å; C160-I164 PolarHBondContact O-N 3.5Å; A161-I164 PolarHBondContact O-N 3.36Å; L162-I164 VanDerWaalsContact C-N 3.33Å; L162-I164 PolarHBondContact O-N 2.87Å; I164-L166 PolarHBondContact O-N 3.39Å; I164-A167 PolarHBondContact O-N 3.24Å; I164-L168 HydrophobicContact CG2-CD1 3.9Å; I164-L168 HydrophobicContact CG2-CG 4.36Å; I164-L168 WeakPolarHBondContact O-CB 3.46Å; I164-L168 VanDerWaalsContact O-CG 3.28Å; I164-L168 WeakPolarHBondContact O-CG 3.36Å; I164-L168 PolarHBondContact O-N 3.26Å; I164-I180 HydrophobicContact CB-CD1 4.4Å; I164-I180 HydrophobicContact CG1-CD1 3.82Å |
| 165 | I | 98.7 | Very high | 98.5 | Very high | 69 Ų | 69 | 47.1 Ų | 47.1 | 35% | 0.354 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -61.9 | -43.1 | 178.1 | -67.8 | 163.7 | 0 | 0 | 0 | 111.1 | L24 A161 L162 L168 L169 | L24-I165 HydrophobicContact CD2-CG1 4.42Å; A161-I165 VanDerWaalsContact O-CG1 3.29Å; A161-I165 WeakPolarHBondContact O-CG1 3.49Å; A161-I165 PolarHBondContact O-N 3.48Å; L162-I165 PolarHBondContact O-N 3.35Å; I165-L168 PolarHBondContact O-N 2.67Å; I165-L169 WeakPolarHBondContact O-CB 3.44Å; I165-L169 PolarHBondContact O-N 3.16Å |
| 166 | L | 98.8 | Very high | 98.6 | Very high | 96 Ų | 96 | 53.9 Ų | 53.9 | 50% | 0.503 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -63.3 | -43 | 176.8 | -69.7 | 173.7 | 0 | 0 | 0 | 111.7 | L162 G163 I164 L169 E170 | L162-L166 HydrophobicContact CD1-CD1 4.17Å; L162-L166 HydrophobicContact CD1-CG 4.11Å; L162-L166 HydrophobicContact CG-CD1 4Å; L162-L166 HydrophobicContact CG-CG 4.37Å; L162-L166 WeakPolarHBondContact O-CB 3.12Å; L162-L166 VanDerWaalsContact O-CG 3.27Å; L162-L166 WeakPolarHBondContact O-CG 3.42Å; L162-L166 PolarHBondContact O-N 2.82Å; G163-L166 PolarHBondContact O-N 3.05Å; I164-L166 PolarHBondContact O-N 3.39Å; L166-L169 PolarHBondContact O-N 3.35Å; L166-E170 WeakPolarHBondContact O-CB 3.39Å; L166-E170 PolarHBondContact O-N 3.42Å |
| 167 | A | 98.9 | Very high | 98.6 | Very high | 2 Ų | 2 | 54.6 Ų | 54.6 | 2% | 0.017 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -66.8 | -38.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | I103 G163 I164 L169 E170 R171 Q178 I180 | I103-A167 HydrophobicContact CD1-CB 3.75Å; I103-A167 HydrophobicContact CG1-CB 3.95Å; I103-A167 HydrophobicContact CG2-CB 3.89Å; G163-A167 WeakPolarHBondContact O-CB 3.37Å; G163-A167 PolarHBondContact O-N 2.66Å; I164-A167 PolarHBondContact O-N 3.24Å; A167-L169 VanDerWaalsContact C-N 3.33Å; A167-L169 PolarHBondContact O-N 3.31Å; A167-E170 PolarHBondContact O-N 3.45Å; A167-R171 VanDerWaalsContact O-CB 3.22Å; A167-R171 WeakPolarHBondContact O-CB 3.24Å; A167-R171 PolarHBondContact O-N 3.15Å; A167-Q178 HydrophobicContact CB-CG 3.79Å; A167-I180 HydrophobicContact CB-CD1 4.04Å |
| 168 | L | 98.8 | Very high | 98.6 | Very high | 18 Ų | 18 | 58.3 Ų | 58.3 | 9% | 0.094 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -61.7 | -42.2 | 173.7 | -75.8 | 168.3 | 0 | 0 | 0 | 111.3 | L3 V6 D74 V75 I103 I164 I165 T172 | L3-L168 HydrophobicContact CD2-CD1 4.15Å; V6-L168 HydrophobicContact CG1-CD1 4Å; V6-L168 HydrophobicContact CG1-CD2 4.26Å; V6-L168 HydrophobicContact CG2-CD1 4.2Å; V6-L168 HydrophobicContact CG2-CD2 4.45Å; D74-L168 HydrophobicContact CB-CD2 4.47Å; V75-L168 HydrophobicContact CG2-CD2 4.33Å; I103-L168 HydrophobicContact CD1-CB 4.14Å; I103-L168 HydrophobicContact CD1-CD2 3.45Å; I103-L168 VanDerWaalsContact CD1-CD2 3.45Å; I103-L168 HydrophobicContact CD1-CG 3.49Å; I103-L168 VanDerWaalsContact CD1-CG 3.49Å; I164-L168 HydrophobicContact CG2-CD1 3.9Å; I164-L168 HydrophobicContact CG2-CG 4.36Å; I164-L168 WeakPolarHBondContact O-CB 3.46Å; I164-L168 VanDerWaalsContact O-CG 3.28Å; I164-L168 WeakPolarHBondContact O-CG 3.36Å; I164-L168 PolarHBondContact O-N 3.26Å; I165-L168 PolarHBondContact O-N 2.67Å; L168-T172 WeakPolarHBondContact O-CG2 3.43Å; L168-T172 PolarHBondContact O-N 3.46Å |
| 169 | L | 98.8 | Very high | 98.6 | Very high | 106 Ų | 106 | 57.9 Ų | 57.9 | 56% | 0.555 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -67.8 | -42.2 | 176.7 | -179.4 | 63.8 | 0 | 0 | 0 | 112.2 | I165 L166 A167 R171 T172 | I165-L169 WeakPolarHBondContact O-CB 3.44Å; I165-L169 PolarHBondContact O-N 3.16Å; L166-L169 PolarHBondContact O-N 3.35Å; A167-L169 VanDerWaalsContact C-N 3.33Å; A167-L169 PolarHBondContact O-N 3.31Å; L169-R171 VanDerWaalsContact C-N 3.32Å; L169-R171 PolarHBondContact O-N 3.13Å; L169-T172 PolarHBondContact O-N 3.18Å; L169-T172 PolarHBondContact O-OG1 3.44Å |
| 170 | E | 98.8 | Very high | 98.6 | Very high | 82 Ų | 82 | 57.2 Ų | 57.2 | 38% | 0.383 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -59.8 | -46 | 175.2 | -165.7 | -71.9 | 153.4 | 0 | 0 | 110.6 | L166 A167 T172 K173 S174 | L166-E170 WeakPolarHBondContact O-CB 3.39Å; L166-E170 PolarHBondContact O-N 3.42Å; A167-E170 PolarHBondContact O-N 3.45Å; E170-T172 PolarHBondContact O-N 3.02Å; E170-T172 VanDerWaalsContact O-N 3.08Å; E170-K173 WeakPolarHBondContact O-CB 3.5Å; E170-K173 PolarHBondContact O-N 3.03Å; E170-S174 VanDerWaalsContact CD-OG 3.3Å; E170-S174 PolarHBondContact O-N 2.9Å; E170-S174 VanDerWaalsContact O-N 3.1Å; E170-S174 PolarHBondContact O-OG 3.45Å; E170-S174 WeakPolarHBondContact OE1-CB 3.08Å; E170-S174 PolarHBondContact OE1-OG 3.38Å; E170-S174 WeakPolarHBondContact OE2-CB 3.28Å; E170-S174 PolarHBondContact OE2-OG 3.38Å |
| 171 | R | 98.7 | Very high | 98.6 | Very high | 19 Ų | 19 | 60.3 Ų | 60.3 | 7% | 0.072 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -58.6 | -23.8 | 179.8 | -176 | 173.2 | 72 | 151.5 | 12.5 | 113.5 | D74 R101 A167 L169 K173 G175 K176 | D74-R171 IonicContact OD1-CZ 2.8Å; D74-R171 IonicContact OD1-NH1 2.96Å; D74-R171 PolarHBondContact OD1-NH1 2.83Å; D74-R171 VanDerWaalsContact OD1-NH1 3.07Å; D74-R171 IonicContact OD1-NH2 3.33Å; D74-R171 PolarHBondContact OD1-NH2 2.94Å; R101-R171 WeakPolarHBondContact O-CD 3.28Å; R101-R171 PolarHBondContact O-NH1 3.38Å; A167-R171 VanDerWaalsContact O-CB 3.22Å; A167-R171 WeakPolarHBondContact O-CB 3.24Å; A167-R171 PolarHBondContact O-N 3.15Å; L169-R171 VanDerWaalsContact C-N 3.32Å; L169-R171 PolarHBondContact O-N 3.13Å; R171-K173 PolarHBondContact O-N 2.92Å; R171-G175 WeakPolarHBondContact O-CA 3.22Å; R171-G175 PolarHBondContact O-N 3.38Å; R171-K176 VanDerWaalsContact CB-O 3.27Å; R171-K176 WeakPolarHBondContact CB-O 3.29Å; R171-K176 VanDerWaalsContact CG-O 3.22Å; R171-K176 WeakPolarHBondContact CG-O 3.42Å |
| 172 | T | 98.3 | Very high | 98.6 | Very high | 108 Ų | 108 | 60.8 Ų | 60.8 | 66% | 0.663 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -68.6 | -21 | 174.7 | 77.8 | 0 | 0 | 0 | 0 | 112.7 | L168 L169 E170 | L168-T172 WeakPolarHBondContact O-CG2 3.43Å; L168-T172 PolarHBondContact O-N 3.46Å; L169-T172 PolarHBondContact O-N 3.18Å; L169-T172 PolarHBondContact O-OG1 3.44Å; E170-T172 PolarHBondContact O-N 3.02Å; E170-T172 VanDerWaalsContact O-N 3.08Å |
| 173 | K | 98.3 | Very high | 98.5 | Very high | 182 Ų | 182 | 56.8 Ų | 56.8 | 79% | 0.791 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -99 | -49.6 | 178.1 | -61.2 | 178.5 | -178.5 | 176.4 | 0 | 111.5 | E170 R171 | E170-K173 WeakPolarHBondContact O-CB 3.5Å; E170-K173 PolarHBondContact O-N 3.03Å; R171-K173 PolarHBondContact O-N 2.92Å |
| 174 | S | 98.5 | Very high | 98.4 | Very high | 46 Ų | 46 | 56.4 Ų | 56.4 | 32% | 0.322 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -79.7 | -26 | -175.6 | 68 | 0 | 0 | 0 | 0 | 113 | E170 K176 | E170-S174 VanDerWaalsContact CD-OG 3.3Å; E170-S174 PolarHBondContact O-N 2.9Å; E170-S174 VanDerWaalsContact O-N 3.1Å; E170-S174 PolarHBondContact O-OG 3.45Å; E170-S174 WeakPolarHBondContact OE1-CB 3.08Å; E170-S174 PolarHBondContact OE1-OG 3.38Å; E170-S174 WeakPolarHBondContact OE2-CB 3.28Å; E170-S174 PolarHBondContact OE2-OG 3.38Å; S174-K176 PolarHBondContact O-N 3.47Å; S174-K176 PolarHBondContact OG-N 3.44Å |
| 175 | G | 98.4 | Very high | 98.4 | Very high | 30 Ų | 30 | 57.6 Ų | 57.6 | 31% | 0.309 | 30% | 0.304 | S | S | . | . | trans | 70.1 | 7.5 | -168.1 | 0 | 0 | 0 | 0 | 0 | 114 | R101 R171 | R101-G175 WeakPolarHBondContact CG-O 3.41Å; R101-G175 PolarHBondContact NH1-O 3.32Å; R171-G175 WeakPolarHBondContact O-CA 3.22Å; R171-G175 PolarHBondContact O-N 3.38Å | ||
| 176 | K | 98.6 | Very high | 98.3 | Very high | 142 Ų | 142 | 60.1 Ų | 60.1 | 62% | 0.617 | 31% | 0.314 | S | S | * | . | trans | -114.3 | 148.8 | -173.5 | -64 | -178.5 | -177.3 | -179.2 | 0 | 111.9 | R171 S174 | R171-K176 VanDerWaalsContact CB-O 3.27Å; R171-K176 WeakPolarHBondContact CB-O 3.29Å; R171-K176 VanDerWaalsContact CG-O 3.22Å; R171-K176 WeakPolarHBondContact CG-O 3.42Å; S174-K176 PolarHBondContact O-N 3.47Å; S174-K176 PolarHBondContact OG-N 3.44Å | ||
| 177 | G | 98.4 | Very high | 98.3 | Very high | 15 Ų | 15 | 56 Ų | 56 | 16% | 0.155 | 30% | 0.295 | C | S | . | . | trans | -84 | -179.8 | 168.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | P100 L102 | P100-G177 PolarHBondContact O-N 3.18Å; L102-G177 VanDerWaalsContact O-CA 3.24Å; L102-G177 WeakPolarHBondContact O-CA 3.42Å | ||
| 178 | Q | 98.6 | Very high | 98.3 | Very high | 79 Ų | 79 | 55.9 Ų | 55.9 | 37% | 0.369 | 29% | 0.294 | S | S | . | . | trans | -158.2 | 165 | 177.3 | 59.1 | 177.7 | 82.3 | 0 | 0 | 111.1 | L102 I103 Y104 A167 | L102-Q178 PolarHBondContact O-N 2.93Å; I103-Q178 WeakPolarHBondContact CA-O 3.49Å; Y104-Q178 PolarHBondContact N-O 3.18Å; A167-Q178 HydrophobicContact CB-CG 3.79Å | ||
| 179 | I | 98.6 | Very high | 98.2 | Very high | 85 Ų | 85 | 56.2 Ų | 56.2 | 44% | 0.436 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 134.3 | 171.7 | -51.7 | 169.4 | 0 | 0 | 0 | 108.4 | P92 L96 Y104 | P92-I179 HydrophobicContact CB-CD1 3.56Å; P92-I179 HydrophobicContact CB-CG1 3.82Å; P92-I179 HydrophobicContact CG-CD1 4Å; L96-I179 HydrophobicContact CD1-CG1 4.33Å; L96-I179 HydrophobicContact CD2-CG1 4.24Å; Y104-I179 CarbonylContact O-C 3.51Å; Y104-I179 WeakPolarHBondContact O-CA 3.44Å |
| 180 | I | 98.6 | Very high | 98.1 | Very high | 18 Ų | 18 | 57.9 Ų | 57.9 | 9% | 0.092 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 116.7 | 170.2 | -58.2 | 162.5 | 0 | 0 | 0 | 107 | I103 Y104 A105 R106 G163 I164 A167 A182 | I103-I180 HydrophobicContact CG2-CD1 3.51Å; I103-I180 HydrophobicContact CG2-CG1 4.31Å; Y104-I180 PolarHBondContact O-N 3.48Å; A105-I180 HydrophobicContact CB-CB 4.33Å; A105-I180 HydrophobicContact CB-CD1 4.3Å; R106-I180 PolarHBondContact N-O 2.9Å; G163-I180 VanDerWaalsContact C-CD1 3.45Å; G163-I180 WeakPolarHBondContact O-CD1 3.19Å; I164-I180 HydrophobicContact CB-CD1 4.4Å; I164-I180 HydrophobicContact CG1-CD1 3.82Å; A167-I180 HydrophobicContact CB-CD1 4.04Å; I180-A182 HydrophobicContact CG2-CB 4.24Å |
| 181 | D | 97.7 | Very high | 98 | Very high | 65 Ų | 65 | 57.1 Ų | 57.1 | 35% | 0.348 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 99 | 166.6 | -170.2 | 2.9 | 0 | 0 | 0 | 108.2 | G111 Q112 | G111-D181 WeakPolarHBondContact CA-OD1 3.29Å; Q112-D181 VanDerWaalsContact CB-OD2 3.32Å; Q112-D181 WeakPolarHBondContact CB-OD2 3.4Å; Q112-D181 WeakPolarHBondContact CG-OD1 3.37Å; Q112-D181 PolarHBondContact N-OD1 2.98Å; Q112-D181 PolarHBondContact N-OD2 2.99Å |
| 182 | A | 97.9 | Very high | 97.9 | Very high | 10 Ų | 10 | 56.7 Ų | 56.7 | 8% | 0.083 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 93.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | R106 L107 T108 C160 I180 | R106-A182 WeakPolarHBondContact O-CA 3.45Å; R106-A182 WeakPolarHBondContact O-CB 3.24Å; R106-A182 PolarHBondContact O-N 3Å; L107-A182 WeakPolarHBondContact CA-O 3.18Å; L107-A182 HydrophobicContact CD1-CB 4.1Å; T108-A182 PolarHBondContact N-O 2.81Å; C160-A182 HydrophobicContact CB-CB 3.87Å; I180-A182 HydrophobicContact CG2-CB 4.24Å |
| 183 | S | 97.1 | Very high | 97.7 | Very high | 5 Ų | 5 | 54 Ų | 54 | 4% | 0.035 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 126.9 | 174.4 | 174.4 | 0 | 0 | 0 | 0 | 111.2 | T108 G109 G111 V185 E186 G187 | T108-S183 CarbonylContact O-C 3.53Å; T108-S183 WeakPolarHBondContact O-CA 3.33Å; G109-S183 PolarHBondContact O-OG 3.36Å; G111-S183 PolarHBondContact N-OG 2.89Å; S183-V185 VanDerWaalsContact C-N 3.29Å; S183-V185 PolarHBondContact O-N 2.87Å; S183-V185 PolarHBondContact OG-N 2.83Å; S183-E186 WeakPolarHBondContact CB-OE2 3.34Å; S183-E186 PolarHBondContact O-N 3.01Å; S183-E186 PolarHBondContact OG-N 3.31Å; S183-G187 PolarHBondContact O-N 3.08Å |
| 184 | M | 97.9 | Very high | 97.4 | Very high | 8 Ų | 8 | 50.6 Ų | 50.6 | 4% | 0.039 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -65.4 | -32.7 | 176.4 | -65.4 | 168.7 | -154.1 | 0 | 0 | 112.1 | P16 L107 T108 G109 Y126 A151 A188 | P16-M184 HydrophobicContact CB-CE 3.55Å; P16-M184 HydrophobicContact CB-SD 4.27Å; P16-M184 HydrophobicContact CG-CE 3.25Å; P16-M184 HydrophobicContact CG-SD 4.01Å; L107-M184 HydrophobicContact CD1-CE 3.81Å; L107-M184 HydrophobicContact CD1-CG 4.27Å; L107-M184 HydrophobicContact CG-CE 3.94Å; T108-M184 PolarHBondContact O-N 3.34Å; G109-M184 PolarHBondContact O-N 2.8Å; Y126-M184 HydrophobicContact CD2-CB 4Å; Y126-M184 HydrophobicContact CD2-CG 4.44Å; Y126-M184 HydrophobicContact CD2-SD 3.56Å; Y126-M184 VanDerWaalsContact CD2-SD 3.56Å; Y126-M184 HydrophobicContact CE2-SD 3.6Å; Y126-M184 HydrophobicContact CG-CB 4.15Å; A151-M184 HydrophobicContact CB-CB 4.49Å; M184-A188 WeakPolarHBondContact O-CB 3.35Å; M184-A188 PolarHBondContact O-N 2.93Å |
| 185 | V | 98.1 | Very high | 97.1 | Very high | 25 Ų | 25 | 50.2 Ų | 50.2 | 15% | 0.152 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.8 | -50.5 | 173.8 | 170.3 | 0 | 0 | 0 | 0 | 111 | G109 Y110 Y126 M129 S130 S183 A189 | G109-V185 WeakPolarHBondContact O-CG2 3.34Å; G109-V185 PolarHBondContact O-N 3.47Å; G109-V185 VanDerWaalsContact O-N 3.1Å; Y110-V185 HydrophobicContact CD1-CG2 3.75Å; Y110-V185 HydrophobicContact CE1-CG2 4.07Å; Y126-V185 HydrophobicContact CD1-CG2 4.38Å; M129-V185 HydrophobicContact CB-CG1 4.08Å; M129-V185 HydrophobicContact CB-CG2 3.8Å; S130-V185 WeakPolarHBondContact CB-O 3.34Å; S183-V185 VanDerWaalsContact C-N 3.29Å; S183-V185 PolarHBondContact O-N 2.87Å; S183-V185 PolarHBondContact OG-N 2.83Å; V185-A189 WeakPolarHBondContact O-CB 3.3Å; V185-A189 PolarHBondContact O-N 3.02Å |
| 186 | E | 97.6 | Very high | 96.5 | Very high | 121 Ų | 121 | 53.8 Ų | 53.8 | 57% | 0.565 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -70.8 | -41.1 | -177.3 | -63.5 | 177.5 | 150.9 | 0 | 0 | 111.1 | S183 A189 F190 | S183-E186 WeakPolarHBondContact CB-OE2 3.34Å; S183-E186 PolarHBondContact O-N 3.01Å; S183-E186 PolarHBondContact OG-N 3.31Å; E186-A189 PolarHBondContact O-N 3.29Å; E186-F190 VanDerWaalsContact O-CB 3.32Å; E186-F190 WeakPolarHBondContact O-CB 3.26Å; E186-F190 PolarHBondContact O-N 3.43Å |
| 187 | G | 98.1 | Very high | 96.1 | Very high | 9 Ų | 9 | 55.6 Ų | 55.6 | 9% | 0.093 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -65.9 | -40.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | G155 S183 F190 T191 | G155-G187 VanDerWaalsContact CA-C 3.42Å; G155-G187 VanDerWaalsContact O-CA 3.28Å; G155-G187 WeakPolarHBondContact O-CA 3.49Å; S183-G187 PolarHBondContact O-N 3.08Å; G187-F190 WeakPolarHBondContact O-CB 3.44Å; G187-F190 PolarHBondContact O-N 2.95Å; G187-T191 WeakPolarHBondContact O-CG2 3.44Å; G187-T191 PolarHBondContact O-N 3.47Å; G187-T191 PolarHBondContact O-OG1 3.29Å |
| 188 | A | 97.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -59.2 | -50.4 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | L127 L132 V150 A151 M184 F190 T191 G192 | L127-A188 HydrophobicContact CD1-CB 4.45Å; L132-A188 WeakPolarHBondContact CD1-O 3.06Å; V150-A188 HydrophobicContact CG1-CB 4.4Å; A151-A188 HydrophobicContact CB-CB 4.3Å; M184-A188 WeakPolarHBondContact O-CB 3.35Å; M184-A188 PolarHBondContact O-N 2.93Å; A188-F190 VanDerWaalsContact C-N 3.26Å; A188-F190 PolarHBondContact O-N 2.99Å; A188-T191 PolarHBondContact O-N 2.83Å; A188-T191 PolarHBondContact O-OG1 2.96Å; A188-G192 PolarHBondContact O-N 2.89Å |
| 189 | A | 97.4 | Very high | 95.1 | Very high | 25 Ų | 25 | 57 Ų | 57 | 21% | 0.207 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -58.1 | -38.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | V185 E186 G192 S193 | V185-A189 WeakPolarHBondContact O-CB 3.3Å; V185-A189 PolarHBondContact O-N 3.02Å; E186-A189 PolarHBondContact O-N 3.29Å; A189-G192 CarbonylContact O-C 3.44Å; A189-G192 PolarHBondContact O-N 3.07Å; A189-S193 PolarHBondContact O-N 2.84Å |
| 190 | F | 97.6 | Very high | 94.5 | Very high | 142 Ų | 142 | 62.8 Ų | 62.8 | 62% | 0.623 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -65 | -45.8 | 176.5 | -178.5 | -103.9 | 0 | 0 | 0 | 112.2 | E186 G187 A188 G192 S193 | E186-F190 VanDerWaalsContact O-CB 3.32Å; E186-F190 WeakPolarHBondContact O-CB 3.26Å; E186-F190 PolarHBondContact O-N 3.43Å; G187-F190 WeakPolarHBondContact O-CB 3.44Å; G187-F190 PolarHBondContact O-N 2.95Å; A188-F190 VanDerWaalsContact C-N 3.26Å; A188-F190 PolarHBondContact O-N 2.99Å; F190-G192 PolarHBondContact O-N 3.36Å; F190-S193 WeakPolarHBondContact O-CB 3.38Å; F190-S193 PolarHBondContact O-N 2.81Å; F190-S193 PolarHBondContact O-OG 2.82Å |
| 191 | T | 96.6 | Very high | 93.9 | Very high | 65 Ų | 65 | 68 Ų | 68 | 40% | 0.399 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -60.9 | -34.1 | 175 | 61.8 | 0 | 0 | 0 | 0 | 111.9 | A154 T159 G187 A188 S193 | A154-T191 HydrophobicContact CB-CG2 4.27Å; T159-T191 HydrophobicContact CG2-CG2 4.43Å; G187-T191 WeakPolarHBondContact O-CG2 3.44Å; G187-T191 PolarHBondContact O-N 3.47Å; G187-T191 PolarHBondContact O-OG1 3.29Å; A188-T191 PolarHBondContact O-N 2.83Å; A188-T191 PolarHBondContact O-OG1 2.96Å; T191-S193 VanDerWaalsContact C-N 3.26Å; T191-S193 PolarHBondContact O-N 3.44Å |
| 192 | G | 94.7 | Very high | 93 | Very high | 10 Ų | 10 | 66.8 Ų | 66.8 | 10% | 0.103 | 33% | 0.332 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | 16.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | A188 A189 F190 F194 L195 W196 | A188-G192 PolarHBondContact O-N 2.89Å; A189-G192 CarbonylContact O-C 3.44Å; A189-G192 PolarHBondContact O-N 3.07Å; F190-G192 PolarHBondContact O-N 3.36Å; G192-F194 PolarHBondContact O-N 2.8Å; G192-F194 VanDerWaalsContact O-N 3.08Å; G192-L195 WeakPolarHBondContact O-CB 3.49Å; G192-L195 PolarHBondContact O-N 2.93Å; G192-W196 VanDerWaalsContact O-CD1 3.28Å; G192-W196 PolarHBondContact O-N 3.47Å |
| 193 | S | 94.7 | Very high | 92.4 | Very high | 53 Ų | 53 | 68.8 Ų | 68.8 | 37% | 0.371 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -55.4 | -30.2 | -174.3 | 58.5 | 0 | 0 | 0 | 0 | 114.5 | A189 F190 T191 W196 K197 | A189-S193 PolarHBondContact O-N 2.84Å; F190-S193 WeakPolarHBondContact O-CB 3.38Å; F190-S193 PolarHBondContact O-N 2.81Å; F190-S193 PolarHBondContact O-OG 2.82Å; T191-S193 VanDerWaalsContact C-N 3.26Å; T191-S193 PolarHBondContact O-N 3.44Å; S193-W196 PolarHBondContact O-N 3.32Å; S193-K197 WeakPolarHBondContact O-CB 3.11Å; S193-K197 WeakPolarHBondContact O-CG 3.44Å; S193-K197 PolarHBondContact O-N 2.7Å |
| 194 | F | 93.3 | Very high | 92 | Very high | 110 Ų | 110 | 70.2 Ų | 70.2 | 48% | 0.482 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -59.2 | -47.3 | 173.7 | 178.8 | -117.1 | 0 | 0 | 0 | 111.6 | G192 W196 K197 S198 L203 W204 L213 | G192-F194 PolarHBondContact O-N 2.8Å; G192-F194 VanDerWaalsContact O-N 3.08Å; F194-W196 VanDerWaalsContact C-N 3.26Å; F194-W196 PolarHBondContact O-N 3.11Å; F194-K197 PolarHBondContact O-N 2.98Å; F194-S198 WeakPolarHBondContact O-CB 3.28Å; F194-S198 PolarHBondContact O-N 2.94Å; F194-S198 PolarHBondContact O-OG 3.34Å; F194-L203 HydrophobicContact CZ-CD1 3.95Å; F194-W204 AromaticContact CD1-CZ2 3.89Å; F194-W204 HydrophobicContact CD1-CZ2 3.89Å; F194-W204 HydrophobicContact CE1-CH2 4.3Å; F194-W204 AromaticContact CE1-CZ2 3.6Å; F194-W204 HydrophobicContact CE1-CZ2 3.6Å; F194-W204 HydrophobicContact CZ-CZ2 4.48Å; F194-L213 HydrophobicContact CE1-CD1 3.92Å |
| 195 | L | 91 | Very high | 91.4 | Very high | 37 Ų | 37 | 74.2 Ų | 74.2 | 19% | 0.194 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -56.9 | -40.4 | 177.1 | -72.5 | 162.3 | 0 | 0 | 0 | 111.5 | L132 G192 R199 W204 | L132-L195 HydrophobicContact CD2-CD1 3.7Å; G192-L195 WeakPolarHBondContact O-CB 3.49Å; G192-L195 PolarHBondContact O-N 2.93Å; L195-R199 WeakPolarHBondContact O-CG 3Å; L195-W204 HydrophobicContact CD2-CD2 3.62Å; L195-W204 HydrophobicContact CD2-CE3 3.63Å; L195-W204 HydrophobicContact CD2-CG 4.4Å; L195-W204 HydrophobicContact CD2-CH2 3.44Å; L195-W204 VanDerWaalsContact CD2-CH2 3.44Å; L195-W204 HydrophobicContact CD2-CZ2 3.48Å; L195-W204 VanDerWaalsContact CD2-CZ2 3.48Å; L195-W204 HydrophobicContact CD2-CZ3 3.53Å; L195-W204 HydrophobicContact CG-CZ2 4.32Å |
| 196 | W | 86.7 | Confident | 91.1 | Very high | 106 Ų | 106 | 78.2 Ų | 78.2 | 40% | 0.402 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -69.3 | -48.1 | 178 | -67.9 | 102.7 | 0 | 0 | 0 | 112.6 | S130 G192 S193 F194 R199 | S130-W196 WeakPolarHBondContact O-CZ2 3.15Å; G192-W196 VanDerWaalsContact O-CD1 3.28Å; G192-W196 PolarHBondContact O-N 3.47Å; S193-W196 PolarHBondContact O-N 3.32Å; F194-W196 VanDerWaalsContact C-N 3.26Å; F194-W196 PolarHBondContact O-N 3.11Å; W196-R199 VanDerWaalsContact CE3-CZ 3.48Å; W196-R199 VanDerWaalsContact CE3-NH2 3.33Å; W196-R199 VanDerWaalsContact CZ3-CZ 3.48Å |
| 197 | K | 89.7 | Confident | 90.9 | Very high | 180 Ų | 180 | 76.3 Ų | 76.3 | 78% | 0.783 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -76.5 | -26.9 | -173.3 | -71.2 | -163.6 | 177 | -175.8 | 0 | 113.4 | S193 F194 | S193-K197 WeakPolarHBondContact O-CB 3.11Å; S193-K197 WeakPolarHBondContact O-CG 3.44Å; S193-K197 PolarHBondContact O-N 2.7Å; F194-K197 PolarHBondContact O-N 2.98Å |
| 198 | S | 90.3 | Very high | 90.7 | Very high | 2 Ų | 2 | 78.6 Ų | 78.6 | 1% | 0.014 | 39% | 0.391 | C | S | . | . | G | 310 helix | trans | -93.3 | 5.6 | -178.6 | 58 | 0 | 0 | 0 | 0 | 114.5 | F194 K200 L201 W204 | F194-S198 WeakPolarHBondContact O-CB 3.28Å; F194-S198 PolarHBondContact O-N 2.94Å; F194-S198 PolarHBondContact O-OG 3.34Å; S198-K200 PolarHBondContact O-N 3.37Å; S198-L201 WeakPolarHBondContact O-CB 3.44Å; S198-L201 PolarHBondContact O-N 2.96Å; S198-W204 PolarHBondContact OG-NE1 3.31Å |
| 199 | R | 85.6 | Confident | 90.6 | Very high | 122 Ų | 122 | 78.8 Ų | 78.8 | 46% | 0.46 | 39% | 0.393 | S | S | . | . | G | 310 helix | trans | -55.2 | -36.3 | 171.7 | -63.8 | -170.9 | -179.8 | -177.1 | 0.4 | 113.3 | L195 W196 L201 G202 | L195-R199 WeakPolarHBondContact O-CG 3Å; W196-R199 VanDerWaalsContact CE3-CZ 3.48Å; W196-R199 VanDerWaalsContact CE3-NH2 3.33Å; W196-R199 VanDerWaalsContact CZ3-CZ 3.48Å; R199-L201 PolarHBondContact O-N 3.48Å; R199-G202 PolarHBondContact O-N 2.87Å |
| 200 | K | 85.1 | Confident | 90.5 | Very high | 205 Ų | 205 | 81.1 Ų | 81.1 | 89% | 0.891 | 40% | 0.399 | S | S | * | . | G | 310 helix | trans | -70.3 | -17.7 | 178.2 | -65 | -173.3 | 179.9 | -176.7 | 0 | 113.4 | S198 | S198-K200 PolarHBondContact O-N 3.37Š|
| 201 | L | 86.3 | Confident | 90.3 | Very high | 129 Ų | 129 | 74.4 Ų | 74.4 | 68% | 0.675 | 37% | 0.37 | S | S | * | . | G | 310 helix | trans | -83.9 | -0.7 | 177.3 | -56.7 | -179.8 | 0 | 0 | 0 | 112.3 | S198 R199 L203 | S198-L201 WeakPolarHBondContact O-CB 3.44Å; S198-L201 PolarHBondContact O-N 2.96Å; R199-L201 PolarHBondContact O-N 3.48Å; L201-L203 HydrophobicContact CB-CD1 4.45Å; L201-L203 HydrophobicContact CB-CG 4.07Å; L201-L203 HydrophobicContact CD1-CD1 4.41Å; L201-L203 PolarHBondContact O-N 3.35Å |
| 202 | G | 80.4 | Confident | 90.1 | Very high | 39 Ų | 39 | 72.2 Ų | 72.2 | 40% | 0.402 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.1 | 1.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | R199 W204 S205 | R199-G202 PolarHBondContact O-N 2.87Å; G202-W204 PolarHBondContact O-N 3.08Å; G202-W204 VanDerWaalsContact O-N 3.11Å; G202-S205 WeakPolarHBondContact CA-OG 3.33Å; G202-S205 PolarHBondContact O-N 3.41Å |
| 203 | L | 83.8 | Confident | 90.1 | Very high | 51 Ų | 51 | 74 Ų | 74 | 27% | 0.267 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -16.5 | -176.3 | -67.1 | -176.4 | 0 | 0 | 0 | 114.2 | F194 L201 N211 L212 | F194-L203 HydrophobicContact CZ-CD1 3.95Å; L201-L203 HydrophobicContact CB-CD1 4.45Å; L201-L203 HydrophobicContact CB-CG 4.07Å; L201-L203 HydrophobicContact CD1-CD1 4.41Å; L201-L203 PolarHBondContact O-N 3.35Å; L203-N211 WeakPolarHBondContact O-CB 3.22Å; L203-N211 PolarHBondContact O-OD1 2.87Å; L203-L212 HydrophobicContact CD2-CD2 4.25Å |
| 204 | W | 88.4 | Confident | 90 | Very high | 35 Ų | 35 | 72.6 Ų | 72.6 | 13% | 0.133 | 35% | 0.351 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -131.4 | 23.7 | -175.7 | -39.8 | 106.2 | 0 | 0 | 0 | 112.2 | F194 L195 S198 G202 R206 N211 L213 | F194-W204 AromaticContact CD1-CZ2 3.89Å; F194-W204 HydrophobicContact CD1-CZ2 3.89Å; F194-W204 HydrophobicContact CE1-CH2 4.3Å; F194-W204 AromaticContact CE1-CZ2 3.6Å; F194-W204 HydrophobicContact CE1-CZ2 3.6Å; F194-W204 HydrophobicContact CZ-CZ2 4.48Å; L195-W204 HydrophobicContact CD2-CD2 3.62Å; L195-W204 HydrophobicContact CD2-CE3 3.63Å; L195-W204 HydrophobicContact CD2-CG 4.4Å; L195-W204 HydrophobicContact CD2-CH2 3.44Å; L195-W204 VanDerWaalsContact CD2-CH2 3.44Å; L195-W204 HydrophobicContact CD2-CZ2 3.48Å; L195-W204 VanDerWaalsContact CD2-CZ2 3.48Å; L195-W204 HydrophobicContact CD2-CZ3 3.53Å; L195-W204 HydrophobicContact CG-CZ2 4.32Å; S198-W204 PolarHBondContact OG-NE1 3.31Å; G202-W204 PolarHBondContact O-N 3.08Å; G202-W204 VanDerWaalsContact O-N 3.11Å; W204-R206 VanDerWaalsContact C-N 3.31Å; W204-N211 VanDerWaalsContact C-OD1 3.24Å; W204-N211 VanDerWaalsContact CA-OD1 3.24Å; W204-N211 WeakPolarHBondContact CA-OD1 3.27Å; W204-N211 HydrophobicContact CE3-CB 4.31Å; W204-L213 HydrophobicContact CH2-CB 3.66Å; W204-L213 HydrophobicContact CH2-CD1 3.75Å; W204-L213 HydrophobicContact CH2-CG 4.22Å; W204-L213 HydrophobicContact CZ2-CD1 4.26Å; W204-L213 HydrophobicContact CZ3-CB 3.84Å |
| 205 | S | 86.9 | Confident | 90 | Very high | 93 Ų | 93 | 68 Ų | 68 | 65% | 0.65 | 33% | 0.333 | S | S | * | . | trans | -84.2 | -5 | -173.7 | -67.2 | 0 | 0 | 0 | 0 | 113.7 | G202 N211 | G202-S205 WeakPolarHBondContact CA-OG 3.33Å; G202-S205 PolarHBondContact O-N 3.41Å; S205-N211 PolarHBondContact N-OD1 2.91Å | ||
| 206 | R | 90.6 | Very high | 90.2 | Very high | 109 Ų | 109 | 66.5 Ų | 66.5 | 41% | 0.411 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -101.8 | 162.8 | 177.9 | -62.1 | 176.9 | 173.3 | -92.8 | -4.4 | 110.7 | W204 E210 N211 | W204-R206 VanDerWaalsContact C-N 3.31Å; R206-E210 HydrophobicContact CB-CB 3.97Å; R206-E210 WeakPolarHBondContact CD-O 3.38Å; R206-N211 WeakPolarHBondContact CB-OD1 3.44Å; R206-N211 PolarHBondContact N-OD1 3.36Å; R206-N211 PolarHBondContact O-ND2 3.1Å |
| 207 | P | 93.2 | Very high | 90.7 | Very high | 80 Ų | 80 | 61.4 Ų | 61.4 | 52% | 0.519 | 31% | 0.307 | S | S | . | . | P | Polyproline II helix | trans | -49.9 | 152.1 | 169.9 | -25.9 | 35.1 | 0 | 0 | 0 | 112.1 | G209 E210 N211 | P207-G209 PolarHBondContact O-N 3.5Å; P207-E210 WeakPolarHBondContact CD-OE2 3.44Å; P207-E210 WeakPolarHBondContact O-CB 3.49Å; P207-E210 PolarHBondContact O-N 2.92Å; P207-E210 VanDerWaalsContact O-N 3.1Å; P207-N211 PolarHBondContact O-ND2 3.39Å; P207-N211 VanDerWaalsContact O-ND2 3.13Å |
| 208 | R | 94.9 | Very high | 91.1 | Very high | 57 Ų | 57 | 52.9 Ų | 52.9 | 22% | 0.215 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -50.7 | 134.4 | 174.2 | 171.5 | -178.2 | 63.2 | -105.9 | -2.6 | 109.9 | S134 L136 G137 S139 E141 E210 D214 | S134-R208 WeakPolarHBondContact O-CD 3.39Å; S134-R208 PolarHBondContact O-NH1 3.41Å; L136-R208 VanDerWaalsContact C-CD 3.43Å; L136-R208 WeakPolarHBondContact O-CD 3.27Å; G137-R208 VanDerWaalsContact O-CG 3.3Å; G137-R208 WeakPolarHBondContact O-CG 3.27Å; S139-R208 WeakPolarHBondContact CA-O 3.47Å; S139-R208 WeakPolarHBondContact CB-O 3.18Å; E141-R208 PolarHBondContact O-NH2 3.17Å; R208-E210 VanDerWaalsContact C-N 3.35Å; R208-D214 WeakPolarHBondContact CA-OD2 3.26Å |
| 209 | G | 95.1 | Very high | 91.4 | Very high | 5 Ų | 5 | 52.8 Ų | 52.8 | 5% | 0.052 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 86.6 | 4.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | P207 D214 S215 G216 | P207-G209 PolarHBondContact O-N 3.5Å; G209-D214 WeakPolarHBondContact CA-O 3.17Å; G209-D214 PolarHBondContact N-OD2 2.98Å; G209-S215 CarbonylContact O-C 3.48Å; G209-G216 WeakPolarHBondContact O-CA 3.39Å; G209-G216 PolarHBondContact O-N 2.88Å |
| 210 | E | 95.1 | Very high | 92 | Very high | 73 Ų | 73 | 51.3 Ų | 51.3 | 34% | 0.341 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -124.9 | 6.1 | -178.3 | -59.6 | 178.3 | -157 | 0 | 0 | 112.8 | S139 R206 P207 R208 D214 | S139-E210 PolarHBondContact OG-OE1 3.47Å; R206-E210 HydrophobicContact CB-CB 3.97Å; R206-E210 WeakPolarHBondContact CD-O 3.38Å; P207-E210 WeakPolarHBondContact CD-OE2 3.44Å; P207-E210 WeakPolarHBondContact O-CB 3.49Å; P207-E210 PolarHBondContact O-N 2.92Å; P207-E210 VanDerWaalsContact O-N 3.1Å; R208-E210 VanDerWaalsContact C-N 3.35Å; E210-D214 PolarHBondContact N-OD1 3.29Å |
| 211 | N | 94.3 | Very high | 92.6 | Very high | 1 Ų | 1 | 42.4 Ų | 42.4 | 1% | 0.005 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -96.3 | 172.9 | 177.3 | -57.6 | -80.4 | 0 | 0 | 0 | 111.3 | L203 W204 S205 R206 P207 L213 D214 G216 A217 | L203-N211 WeakPolarHBondContact O-CB 3.22Å; L203-N211 PolarHBondContact O-OD1 2.87Å; W204-N211 VanDerWaalsContact C-OD1 3.24Å; W204-N211 VanDerWaalsContact CA-OD1 3.24Å; W204-N211 WeakPolarHBondContact CA-OD1 3.27Å; W204-N211 HydrophobicContact CE3-CB 4.31Å; S205-N211 PolarHBondContact N-OD1 2.91Å; R206-N211 WeakPolarHBondContact CB-OD1 3.44Å; R206-N211 PolarHBondContact N-OD1 3.36Å; R206-N211 PolarHBondContact O-ND2 3.1Å; P207-N211 PolarHBondContact O-ND2 3.39Å; P207-N211 VanDerWaalsContact O-ND2 3.13Å; N211-L213 VanDerWaalsContact C-N 3.32Å; N211-L213 PolarHBondContact O-N 3.02Å; N211-D214 WeakPolarHBondContact CA-OD1 3.48Å; N211-D214 VanDerWaalsContact CB-OD1 3.27Å; N211-D214 WeakPolarHBondContact CB-OD1 3.46Å; N211-D214 PolarHBondContact N-OD1 3.23Å; N211-D214 PolarHBondContact ND2-OD2 3.42Å; N211-D214 VanDerWaalsContact O-OD1 3.05Å; N211-G216 WeakPolarHBondContact O-CA 3.44Å; N211-G216 PolarHBondContact O-N 3.3Å; N211-A217 PolarHBondContact O-N 3.48Å |
| 212 | L | 93.1 | Very high | 93.2 | Very high | 19 Ų | 19 | 39 Ų | 39 | 10% | 0.099 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -38.7 | -175.7 | -177.3 | 63.9 | 0 | 0 | 0 | 113.2 | L203 A217 F219 Y220 I236 M259 W264 | L203-L212 HydrophobicContact CD2-CD2 4.25Å; L212-A217 HydrophobicContact CD1-CB 3.91Å; L212-F219 HydrophobicContact CD1-CE2 3.72Å; L212-F219 HydrophobicContact CD1-CZ 4.08Å; L212-Y220 WeakPolarHBondContact O-CB 3.47Å; L212-I236 HydrophobicContact CD2-CG2 4.38Å; L212-M259 HydrophobicContact CD1-CE 4.44Å; L212-M259 HydrophobicContact CD1-SD 4.49Å; L212-W264 HydrophobicContact CB-CH2 4.37Å; L212-W264 HydrophobicContact CD1-CH2 4Å; L212-W264 HydrophobicContact CD1-CZ2 4.3Å |
| 213 | L | 93.8 | Very high | 94.1 | Very high | 49 Ų | 49 | 37.2 Ų | 37.2 | 26% | 0.257 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -116.5 | 11.6 | -168.7 | -63 | 176.7 | 0 | 0 | 0 | 114 | F194 W204 N211 Y220 I236 | F194-L213 HydrophobicContact CE1-CD1 3.92Å; W204-L213 HydrophobicContact CH2-CB 3.66Å; W204-L213 HydrophobicContact CH2-CD1 3.75Å; W204-L213 HydrophobicContact CH2-CG 4.22Å; W204-L213 HydrophobicContact CZ2-CD1 4.26Å; W204-L213 HydrophobicContact CZ3-CB 3.84Å; N211-L213 VanDerWaalsContact C-N 3.32Å; N211-L213 PolarHBondContact O-N 3.02Å; L213-Y220 HydrophobicContact CB-CE1 4.19Å; L213-Y220 HydrophobicContact CD2-CD1 4.13Å; L213-Y220 HydrophobicContact CD2-CD2 3.99Å; L213-Y220 HydrophobicContact CD2-CE1 3.96Å; L213-Y220 HydrophobicContact CD2-CE2 3.8Å; L213-Y220 HydrophobicContact CD2-CG 4.14Å; L213-Y220 WeakPolarHBondContact O-CE1 3.28Å; L213-I236 HydrophobicContact CD2-CD1 3.47Å; L213-I236 VanDerWaalsContact CD2-CD1 3.47Å |
| 214 | D | 93.2 | Very high | 94.8 | Very high | 22 Ų | 22 | 40 Ų | 40 | 12% | 0.118 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -122.3 | 26 | -178.7 | 73.6 | -8.1 | 0 | 0 | 0 | 112.3 | R208 G209 E210 N211 | R208-D214 WeakPolarHBondContact CA-OD2 3.26Å; G209-D214 WeakPolarHBondContact CA-O 3.17Å; G209-D214 PolarHBondContact N-OD2 2.98Å; E210-D214 PolarHBondContact N-OD1 3.29Å; N211-D214 WeakPolarHBondContact CA-OD1 3.48Å; N211-D214 VanDerWaalsContact CB-OD1 3.27Å; N211-D214 WeakPolarHBondContact CB-OD1 3.46Å; N211-D214 PolarHBondContact N-OD1 3.23Å; N211-D214 PolarHBondContact ND2-OD2 3.42Å; N211-D214 VanDerWaalsContact O-OD1 3.05Å |
| 215 | S | 93.9 | Very high | 95.3 | Very high | 15 Ų | 15 | 38.5 Ų | 38.5 | 11% | 0.105 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 79.2 | 15.3 | -175.9 | 79.3 | 0 | 0 | 0 | 0 | 117.1 | R138 G209 K268 | R138-S215 WeakPolarHBondContact CD-OG 3.43Å; R138-S215 PolarHBondContact NH1-OG 2.73Å; R138-S215 VanDerWaalsContact NH1-OG 3.09Å; G209-S215 CarbonylContact O-C 3.48Å; S215-K268 PolarHBondContact O-NZ 3.45Å |
| 216 | G | 95.1 | Very high | 95.8 | Very high | 4 Ų | 4 | 39.6 Ų | 39.6 | 4% | 0.041 | 19% | 0.194 | C | C | . | . | trans | -71 | -46 | 168.4 | 0 | 0 | 0 | 0 | 0 | 113 | G209 N211 K268 | G209-G216 WeakPolarHBondContact O-CA 3.39Å; G209-G216 PolarHBondContact O-N 2.88Å; N211-G216 WeakPolarHBondContact O-CA 3.44Å; N211-G216 PolarHBondContact O-N 3.3Å; G216-K268 WeakPolarHBondContact O-CE 3.27Å; G216-K268 PolarHBondContact O-NZ 2.87Å | ||
| 217 | A | 96.5 | Very high | 96.2 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -75.5 | 132.5 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | N211 L212 F219 Y220 W264 | N211-A217 PolarHBondContact O-N 3.48Å; L212-A217 HydrophobicContact CD1-CB 3.91Å; A217-F219 HydrophobicContact CB-CD2 4.26Å; A217-F219 HydrophobicContact CB-CE1 4.24Å; A217-F219 HydrophobicContact CB-CE2 3.89Å; A217-F219 HydrophobicContact CB-CZ 3.87Å; A217-F219 PolarHBondContact O-N 3.36Å; A217-Y220 CarbonylContact O-C 3.6Å; A217-Y220 PolarHBondContact O-N 2.84Å; A217-Y220 VanDerWaalsContact O-N 3.07Å; A217-W264 HydrophobicContact CB-CD2 4.42Å; A217-W264 HydrophobicContact CB-CE3 4.26Å; A217-W264 HydrophobicContact CB-CH2 3.8Å; A217-W264 HydrophobicContact CB-CZ2 3.99Å; A217-W264 HydrophobicContact CB-CZ3 3.95Å |
| 218 | P | 97.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -28 | 177.3 | -22.3 | 31.5 | 0 | 0 | 0 | 113.7 | Y220 Y223 W264 L267 K268 F271 | P218-Y220 VanDerWaalsContact C-N 3.34Å; P218-Y223 VanDerWaalsContact C-OH 3.23Å; P218-Y223 VanDerWaalsContact CA-OH 3.24Å; P218-Y223 WeakPolarHBondContact CA-OH 3.45Å; P218-Y223 VanDerWaalsContact O-CE2 3.25Å; P218-Y223 WeakPolarHBondContact O-CE2 3.5Å; P218-Y223 VanDerWaalsContact O-CZ 3.28Å; P218-Y223 PolarHBondContact O-OH 3.39Å; P218-W264 HydrophobicContact CG-CB 4.08Å; P218-W264 HydrophobicContact CG-CG 4.13Å; P218-W264 WeakPolarHBondContact CG-O 3.31Å; P218-L267 HydrophobicContact CB-CB 4.15Å; P218-L267 HydrophobicContact CG-CB 3.61Å; P218-K268 HydrophobicContact CB-CB 4.29Å; P218-K268 HydrophobicContact CG-CB 4.18Å; P218-F271 HydrophobicContact CB-CD2 3.92Å; P218-F271 HydrophobicContact CB-CE2 4.14Å; P218-F271 HydrophobicContact CB-CG 4.42Å; P218-F271 WeakPolarHBondContact O-CD2 3.15Å |
| 219 | F | 97.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.4 | 12.6 | -179.9 | 48.2 | -93.6 | 0 | 0 | 0 | 112.6 | L212 A217 G234 A235 I236 Y241 L244 Q258 M259 W264 | L212-F219 HydrophobicContact CD1-CE2 3.72Å; L212-F219 HydrophobicContact CD1-CZ 4.08Å; A217-F219 HydrophobicContact CB-CD2 4.26Å; A217-F219 HydrophobicContact CB-CE1 4.24Å; A217-F219 HydrophobicContact CB-CE2 3.89Å; A217-F219 HydrophobicContact CB-CZ 3.87Å; A217-F219 PolarHBondContact O-N 3.36Å; F219-G234 CarbonylContact O-C 3.43Å; F219-G234 WeakPolarHBondContact O-CA 3.34Å; F219-A235 HydrophobicContact CB-CB 4.33Å; F219-A235 WeakPolarHBondContact CB-O 3.4Å; F219-A235 VanDerWaalsContact CD2-O 3.31Å; F219-A235 WeakPolarHBondContact CD2-O 3.34Å; F219-A235 PolarHBondContact O-N 3.43Å; F219-I236 HydrophobicContact CD2-CG1 4.45Å; F219-Y241 HydrophobicContact CB-CD2 3.76Å; F219-Y241 HydrophobicContact CB-CE2 4.09Å; F219-Y241 AromaticContact CD1-CD2 3.92Å; F219-Y241 HydrophobicContact CD1-CD2 3.92Å; F219-Y241 AromaticContact CD1-CE2 3.76Å; F219-Y241 HydrophobicContact CD1-CE2 3.76Å; F219-Y241 AromaticContact CG-CD2 3.96Å; F219-Y241 HydrophobicContact CG-CD2 3.96Å; F219-Y241 HydrophobicContact CG-CE2 4.22Å; F219-L244 HydrophobicContact CB-CD2 4.16Å; F219-Q258 HydrophobicContact CD1-CG 3.8Å; F219-Q258 HydrophobicContact CE1-CG 3.37Å; F219-Q258 VanDerWaalsContact CE1-O 3.31Å; F219-Q258 WeakPolarHBondContact CE1-O 3.08Å; F219-Q258 HydrophobicContact CE2-CG 4.38Å; F219-Q258 HydrophobicContact CG-CG 4.49Å; F219-Q258 HydrophobicContact CZ-CG 3.69Å; F219-M259 HydrophobicContact CZ-SD 3.99Å; F219-W264 HydrophobicContact CE1-CZ2 4.41Å; F219-W264 AromaticContact CE1-NE1 3.89Å; F219-W264 AromaticContact CZ-CZ2 3.96Å; F219-W264 HydrophobicContact CZ-CZ2 3.96Å |
| 220 | Y | 97.7 | Very high | 96.7 | Very high | 92 Ų | 92 | 41 Ų | 41 | 36% | 0.361 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 72.9 | 170.5 | -166.1 | -91.4 | 0 | 0 | 0 | 110 | L212 L213 A217 P218 V233 I236 | L212-Y220 WeakPolarHBondContact O-CB 3.47Å; L213-Y220 HydrophobicContact CB-CE1 4.19Å; L213-Y220 HydrophobicContact CD2-CD1 4.13Å; L213-Y220 HydrophobicContact CD2-CD2 3.99Å; L213-Y220 HydrophobicContact CD2-CE1 3.96Å; L213-Y220 HydrophobicContact CD2-CE2 3.8Å; L213-Y220 HydrophobicContact CD2-CG 4.14Å; L213-Y220 WeakPolarHBondContact O-CE1 3.28Å; A217-Y220 CarbonylContact O-C 3.6Å; A217-Y220 PolarHBondContact O-N 2.84Å; A217-Y220 VanDerWaalsContact O-N 3.07Å; P218-Y220 VanDerWaalsContact C-N 3.34Å; Y220-V233 VanDerWaalsContact CA-O 3.27Å; Y220-V233 WeakPolarHBondContact CA-O 3.42Å; Y220-I236 HydrophobicContact CD2-CD1 3.66Å; Y220-I236 HydrophobicContact CD2-CG1 3.95Å; Y220-I236 HydrophobicContact CE2-CD1 4.06Å; Y220-I236 HydrophobicContact CG-CD1 4.44Å |
| 221 | D | 97.8 | Very high | 96.9 | Very high | 18 Ų | 18 | 37.6 Ų | 37.6 | 10% | 0.096 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.7 | 178.8 | -177.8 | -150.4 | -21.7 | 0 | 0 | 0 | 111.2 | R138 Y223 V233 K268 | R138-D221 IonicContact CZ-OD1 2.76Å; R138-D221 VanDerWaalsContact NH1-CG 3.31Å; R138-D221 IonicContact NH1-OD1 3.06Å; R138-D221 PolarHBondContact NH1-OD1 3.3Å; R138-D221 IonicContact NH1-OD2 2.73Å; R138-D221 PolarHBondContact NH1-OD2 3.07Å; R138-D221 IonicContact NH2-OD1 3.05Å; R138-D221 PolarHBondContact NH2-OD1 2.92Å; D221-Y223 HydrophobicContact CB-CE2 4.12Å; D221-V233 PolarHBondContact N-O 3.12Å; D221-V233 PolarHBondContact O-N 2.89Å; D221-K268 IonicContact OD2-NZ 3.07Å |
| 222 | T | 98.1 | Very high | 97.1 | Very high | 56 Ų | 56 | 38.9 Ų | 38.9 | 34% | 0.344 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 136.1 | 169.2 | 54.8 | 0 | 0 | 0 | 0 | 111.2 | R138 L231 A232 V297 | R138-T222 PolarHBondContact NH2-OG1 3.47Å; T222-L231 CarbonylContact C-O 3.51Å; T222-L231 VanDerWaalsContact CA-O 3.22Å; T222-L231 WeakPolarHBondContact CA-O 3.37Å; T222-A232 HydrophobicContact CG2-CB 4.19Å; T222-V297 HydrophobicContact CG2-CG2 4.18Å |
| 223 | Y | 98.7 | Very high | 97.4 | Very high | 3 Ų | 3 | 38.3 Ų | 38.3 | 1% | 0.012 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 132.6 | -176.9 | -69 | -77.1 | 0 | 0 | 0 | 111.7 | P218 D221 Y230 L231 V233 K268 F271 T272 F275 | P218-Y223 VanDerWaalsContact C-OH 3.23Å; P218-Y223 VanDerWaalsContact CA-OH 3.24Å; P218-Y223 WeakPolarHBondContact CA-OH 3.45Å; P218-Y223 VanDerWaalsContact O-CE2 3.25Å; P218-Y223 WeakPolarHBondContact O-CE2 3.5Å; P218-Y223 VanDerWaalsContact O-CZ 3.28Å; P218-Y223 PolarHBondContact O-OH 3.39Å; D221-Y223 HydrophobicContact CB-CE2 4.12Å; Y223-Y230 CarbonylContact O-C 3.5Å; Y223-Y230 VanDerWaalsContact O-CA 3.27Å; Y223-Y230 WeakPolarHBondContact O-CA 3.5Å; Y223-L231 PolarHBondContact N-O 2.86Å; Y223-L231 PolarHBondContact O-N 3.45Å; Y223-V233 HydrophobicContact CD2-CB 4.4Å; Y223-V233 HydrophobicContact CD2-CG2 3.69Å; Y223-V233 HydrophobicContact CE2-CB 4.32Å; Y223-V233 HydrophobicContact CE2-CG2 4.01Å; Y223-K268 HydrophobicContact CE1-CG 4.37Å; Y223-F271 HydrophobicContact CD1-CB 4.48Å; Y223-F271 HydrophobicContact CE1-CB 3.7Å; Y223-F271 HydrophobicContact CE2-CB 4.36Å; Y223-F271 HydrophobicContact CE2-CD2 4.41Å; Y223-T272 WeakPolarHBondContact CE1-OG1 3.38Å; Y223-F275 AromaticContact CD1-CD2 3.93Å; Y223-F275 HydrophobicContact CD1-CD2 3.93Å; Y223-F275 AromaticContact CD2-CD2 3.49Å; Y223-F275 HydrophobicContact CD2-CD2 3.49Å; Y223-F275 VanDerWaalsContact CD2-CD2 3.49Å; Y223-F275 AromaticContact CD2-CE2 3.49Å; Y223-F275 HydrophobicContact CD2-CE2 3.49Å; Y223-F275 VanDerWaalsContact CD2-CE2 3.49Å; Y223-F275 HydrophobicContact CD2-CG 4.4Å; Y223-F275 HydrophobicContact CD2-CZ 4.38Å; Y223-F275 HydrophobicContact CE2-CD2 4.16Å; Y223-F275 AromaticContact CE2-CE2 3.95Å; Y223-F275 HydrophobicContact CE2-CE2 3.95Å; Y223-F275 HydrophobicContact CG-CB 4.27Å; Y223-F275 AromaticContact CG-CD2 3.34Å; Y223-F275 HydrophobicContact CG-CD2 3.34Å; Y223-F275 AromaticContact CG-CE2 3.88Å; Y223-F275 HydrophobicContact CG-CE2 3.88Å; Y223-F275 HydrophobicContact CG-CG 4Å |
| 224 | K | 98.8 | Very high | 97.6 | Very high | 109 Ų | 109 | 37 Ų | 37 | 47% | 0.474 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 136.4 | 175.1 | -167.1 | 177.3 | -179.6 | 178.6 | 0 | 109.8 | K229 Y230 A276 | K224-K229 CarbonylContact C-O 3.46Å; K224-K229 WeakPolarHBondContact CA-O 3.38Å; K224-Y230 HydrophobicContact CB-CD1 4.11Å; K224-Y230 HydrophobicContact CB-CE1 3.71Å; K224-Y230 HydrophobicContact CG-CE1 4.18Å; K224-Y230 HydrophobicContact CG-CE2 4.48Å; K224-A276 PolarHBondContact O-N 2.62Å |
| 225 | T | 98.8 | Very high | 97.8 | Very high | 4 Ų | 4 | 36 Ų | 36 | 3% | 0.025 | 19% | 0.191 | C | C | . | . | trans | -101.7 | 171.5 | -179.1 | 56.1 | 0 | 0 | 0 | 0 | 111.3 | D227 G228 K229 L231 F275 Q280 | T225-D227 VanDerWaalsContact C-N 3.26Å; T225-D227 PolarHBondContact O-N 3.28Å; T225-D227 PolarHBondContact OG1-OD1 2.91Å; T225-G228 PolarHBondContact O-N 2.78Å; T225-K229 PolarHBondContact N-O 3.01Å; T225-K229 PolarHBondContact OG1-N 3.33Å; T225-K229 PolarHBondContact OG1-O 3.3Å; T225-L231 HydrophobicContact CG2-CD1 3.74Å; T225-L231 HydrophobicContact CG2-CG 3.92Å; T225-F275 WeakPolarHBondContact CA-O 3.35Å; T225-Q280 HydrophobicContact CG2-CB 4.3Å | ||
| 226 | L | 98.7 | Very high | 97.9 | Very high | 116 Ų | 116 | 37.6 Ų | 37.6 | 61% | 0.607 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | -38.6 | -176.8 | -176.9 | 63.2 | 0 | 0 | 0 | 113 | G228 A276 K278 T279 | L226-G228 PolarHBondContact O-N 2.67Å; L226-A276 WeakPolarHBondContact CA-O 3.44Å; L226-A276 WeakPolarHBondContact CB-O 3.21Å; L226-K278 VanDerWaalsContact CB-C 3.43Å; L226-K278 VanDerWaalsContact CB-O 3.26Å; L226-K278 WeakPolarHBondContact CB-O 3.37Å; L226-K278 PolarHBondContact N-O 2.48Å; L226-T279 HydrophobicContact CD2-CG2 4.43Å |
| 227 | D | 98.3 | Very high | 98 | Very high | 61 Ų | 61 | 42 Ų | 42 | 33% | 0.326 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | 11.2 | 179.1 | 65.6 | -38.4 | 0 | 0 | 0 | 113.4 | T225 K229 T279 Q280 | T225-D227 VanDerWaalsContact C-N 3.26Å; T225-D227 PolarHBondContact O-N 3.28Å; T225-D227 PolarHBondContact OG1-OD1 2.91Å; D227-K229 VanDerWaalsContact C-N 3.27Å; D227-K229 PolarHBondContact O-N 3.02Å; D227-K229 VanDerWaalsContact OD2-CD 3.26Å; D227-K229 WeakPolarHBondContact OD2-CD 3.33Å; D227-K229 WeakPolarHBondContact OD2-CE 3.28Å; D227-K229 IonicContact OD2-NZ 3.58Å; D227-K229 PolarHBondContact OD2-NZ 2.94Å; D227-T279 HydrophobicContact CB-CG2 4.25Å; D227-T279 WeakPolarHBondContact OD1-CA 3.37Å; D227-Q280 PolarHBondContact OD1-N 2.68Å |
| 228 | G | 98.1 | Very high | 98 | Very high | 34 Ų | 34 | 45.8 Ų | 45.8 | 35% | 0.351 | 24% | 0.241 | S | C | . | . | S | Bend | trans | 78.9 | 2.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | T225 L226 | T225-G228 PolarHBondContact O-N 2.78Å; L226-G228 PolarHBondContact O-N 2.67Å |
| 229 | K | 98.1 | Very high | 98.1 | Very high | 84 Ų | 84 | 52 Ų | 52 | 37% | 0.365 | 27% | 0.27 | S | S | . | . | trans | -83.7 | 174 | 173 | -61.1 | -178.1 | -167.9 | 149.8 | 0 | 111.2 | K224 T225 D227 Q280 | K224-K229 CarbonylContact C-O 3.46Å; K224-K229 WeakPolarHBondContact CA-O 3.38Å; T225-K229 PolarHBondContact N-O 3.01Å; T225-K229 PolarHBondContact OG1-N 3.33Å; T225-K229 PolarHBondContact OG1-O 3.3Å; D227-K229 VanDerWaalsContact C-N 3.27Å; D227-K229 PolarHBondContact O-N 3.02Å; D227-K229 VanDerWaalsContact OD2-CD 3.26Å; D227-K229 WeakPolarHBondContact OD2-CD 3.33Å; D227-K229 WeakPolarHBondContact OD2-CE 3.28Å; D227-K229 IonicContact OD2-NZ 3.58Å; D227-K229 PolarHBondContact OD2-NZ 2.94Å; K229-Q280 HydrophobicContact CB-CB 4.05Å; K229-Q280 HydrophobicContact CB-CG 4.43Å; K229-Q280 HydrophobicContact CD-CB 4.16Å; K229-Q280 VanDerWaalsContact CD-OE1 3.25Å | ||
| 230 | Y | 98.7 | Very high | 98.1 | Very high | 102 Ų | 102 | 55 Ų | 55 | 40% | 0.4 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 144.3 | -177.1 | -67.7 | -96.2 | 0 | 0 | 0 | 112.8 | Y223 K224 Q280 V297 | Y223-Y230 CarbonylContact O-C 3.5Å; Y223-Y230 VanDerWaalsContact O-CA 3.27Å; Y223-Y230 WeakPolarHBondContact O-CA 3.5Å; K224-Y230 HydrophobicContact CB-CD1 4.11Å; K224-Y230 HydrophobicContact CB-CE1 3.71Å; K224-Y230 HydrophobicContact CG-CE1 4.18Å; K224-Y230 HydrophobicContact CG-CE2 4.48Å; Y230-Q280 PolarHBondContact O-NE2 3.36Å; Y230-V297 PolarHBondContact O-N 3.41Å |
| 231 | L | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 141 | 164.2 | -67.4 | 165.7 | 0 | 0 | 0 | 108.9 | T222 Y223 T225 F275 Q280 W283 L284 V294 T295 | T222-L231 CarbonylContact C-O 3.51Å; T222-L231 VanDerWaalsContact CA-O 3.22Å; T222-L231 WeakPolarHBondContact CA-O 3.37Å; Y223-L231 PolarHBondContact N-O 2.86Å; Y223-L231 PolarHBondContact O-N 3.45Å; T225-L231 HydrophobicContact CG2-CD1 3.74Å; T225-L231 HydrophobicContact CG2-CG 3.92Å; L231-F275 HydrophobicContact CD1-CD1 3.72Å; L231-F275 HydrophobicContact CD1-CE1 3.76Å; L231-Q280 HydrophobicContact CD2-CG 3.68Å; L231-Q280 HydrophobicContact CG-CG 4.15Å; L231-W283 HydrophobicContact CD1-CB 3.4Å; L231-W283 HydrophobicContact CD1-CG 3.66Å; L231-L284 HydrophobicContact CD2-CD2 3.87Å; L231-L284 HydrophobicContact CD2-CG 4.3Å; L231-V294 HydrophobicContact CB-CG1 4.08Å; L231-V294 HydrophobicContact CD1-CG1 4.1Å; L231-V294 HydrophobicContact CD2-CG1 4.16Å; L231-V294 HydrophobicContact CG-CG1 4.34Å; L231-T295 CarbonylContact C-O 3.59Å; L231-T295 WeakPolarHBondContact CA-O 3.4Å |
| 232 | A | 98.6 | Very high | 98.1 | Very high | 28 Ų | 28 | 53.8 Ų | 53.8 | 23% | 0.231 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 134.5 | 167.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | T222 V294 T295 V297 | T222-A232 HydrophobicContact CG2-CB 4.19Å; A232-V294 WeakPolarHBondContact O-CA 3.41Å; A232-T295 PolarHBondContact N-O 3.28Å; A232-T295 PolarHBondContact O-N 3.09Å; A232-V297 HydrophobicContact CB-CG2 4.15Å |
| 233 | V | 98.7 | Very high | 98.1 | Very high | 7 Ų | 7 | 54.9 Ų | 54.9 | 4% | 0.042 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 133.1 | 177.9 | -178.3 | 0 | 0 | 0 | 0 | 108.4 | Y220 D221 Y223 A235 L244 F275 C293 V294 | Y220-V233 VanDerWaalsContact CA-O 3.27Å; Y220-V233 WeakPolarHBondContact CA-O 3.42Å; D221-V233 PolarHBondContact N-O 3.12Å; D221-V233 PolarHBondContact O-N 2.89Å; Y223-V233 HydrophobicContact CD2-CB 4.4Å; Y223-V233 HydrophobicContact CD2-CG2 3.69Å; Y223-V233 HydrophobicContact CE2-CB 4.32Å; Y223-V233 HydrophobicContact CE2-CG2 4.01Å; V233-A235 HydrophobicContact CG1-CB 4.29Å; V233-L244 HydrophobicContact CG1-CD1 4.23Å; V233-L244 HydrophobicContact CG1-CD2 3.64Å; V233-F275 HydrophobicContact CG2-CE1 4.47Å; V233-F275 HydrophobicContact CG2-CE2 3.82Å; V233-F275 HydrophobicContact CG2-CZ 3.56Å; V233-C293 WeakPolarHBondContact CA-O 3.3Å; V233-V294 HydrophobicContact CG2-CG2 4.26Å |
| 234 | G | 97.9 | Very high | 98.1 | Very high | 23 Ų | 23 | 54.8 Ų | 54.8 | 24% | 0.237 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 45.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113 | F219 I236 C293 | F219-G234 CarbonylContact O-C 3.43Å; F219-G234 WeakPolarHBondContact O-CA 3.34Å; G234-I236 PolarHBondContact O-N 2.86Å; G234-C293 VanDerWaalsContact C-CB 3.46Å; G234-C293 PolarHBondContact N-O 2.76Å; G234-C293 VanDerWaalsContact O-CB 3.3Å; G234-C293 WeakPolarHBondContact O-CB 3.34Å |
| 235 | A | 97.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 26% | 0.261 | C | S | . | . | trans | -89.6 | 65.6 | -174.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | F219 V233 F240 L244 A292 C293 | F219-A235 HydrophobicContact CB-CB 4.33Å; F219-A235 WeakPolarHBondContact CB-O 3.4Å; F219-A235 VanDerWaalsContact CD2-O 3.31Å; F219-A235 WeakPolarHBondContact CD2-O 3.34Å; F219-A235 PolarHBondContact O-N 3.43Å; V233-A235 HydrophobicContact CG1-CB 4.29Å; A235-F240 HydrophobicContact CB-CB 4.11Å; A235-L244 HydrophobicContact CB-CB 4.14Å; A235-L244 HydrophobicContact CB-CD2 3.95Å; A235-A292 WeakPolarHBondContact CB-O 3.16Å; A235-C293 HydrophobicContact CB-CB 4.36Å | ||
| 236 | I | 96.4 | Very high | 98.1 | Very high | 49 Ų | 49 | 57 Ų | 57 | 25% | 0.251 | 29% | 0.292 | S | S | . | . | trans | -76.2 | -44.8 | -173.2 | -61.9 | 173.1 | 0 | 0 | 0 | 111.5 | L212 L213 F219 Y220 G234 Q258 | L212-I236 HydrophobicContact CD2-CG2 4.38Å; L213-I236 HydrophobicContact CD2-CD1 3.47Å; L213-I236 VanDerWaalsContact CD2-CD1 3.47Å; F219-I236 HydrophobicContact CD2-CG1 4.45Å; Y220-I236 HydrophobicContact CD2-CD1 3.66Å; Y220-I236 HydrophobicContact CD2-CG1 3.95Å; Y220-I236 HydrophobicContact CE2-CD1 4.06Å; Y220-I236 HydrophobicContact CG-CD1 4.44Å; G234-I236 PolarHBondContact O-N 2.86Å; I236-Q258 PolarHBondContact O-NE2 3.08Å | ||
| 237 | E | 96.9 | Very high | 98.1 | Very high | 96 Ų | 96 | 52 Ų | 52 | 45% | 0.449 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -70.3 | 143.1 | -179.9 | -63.8 | 80.6 | 174.5 | 0 | 0 | 111 | E239 F240 Y241 | E237-E239 PolarHBondContact O-N 3.24Å; E237-F240 HydrophobicContact CB-CD2 3.7Å; E237-F240 HydrophobicContact CB-CE2 3.98Å; E237-F240 HydrophobicContact CB-CG 4.24Å; E237-F240 HydrophobicContact CG-CD2 4.18Å; E237-F240 HydrophobicContact CG-CE2 4.06Å; E237-F240 PolarHBondContact O-N 3.47Å; E237-F240 WeakPolarHBondContact OE2-CD2 3.33Å; E237-F240 WeakPolarHBondContact OE2-CE2 3.28Å; E237-Y241 PolarHBondContact O-N 2.74Å |
| 238 | T | 97 | Very high | 98.1 | Very high | 80 Ų | 80 | 49.1 Ų | 49.1 | 49% | 0.491 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -54.4 | -40.2 | -174.4 | -53.3 | 0 | 0 | 0 | 0 | 112.5 | Y241 N242 | T238-Y241 PolarHBondContact O-N 2.93Å; T238-N242 WeakPolarHBondContact O-CB 3.45Å; T238-N242 PolarHBondContact O-N 3.26Å; T238-N242 PolarHBondContact O-ND2 3.44Å |
| 239 | E | 97.6 | Very high | 98 | Very high | 129 Ų | 129 | 54 Ų | 54 | 60% | 0.603 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -63.3 | -42.9 | 179 | -63.7 | 82.4 | 178.3 | 0 | 0 | 111.7 | E237 N242 Q243 | E237-E239 PolarHBondContact O-N 3.24Å; E239-N242 PolarHBondContact O-N 3.34Å; E239-Q243 WeakPolarHBondContact O-CG 3.09Å; E239-Q243 PolarHBondContact O-N 3.34Å |
| 240 | F | 98.3 | Very high | 98 | Very high | 63 Ų | 63 | 51.4 Ų | 51.4 | 28% | 0.276 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -71.2 | -39.6 | 178.6 | -55.1 | -23.2 | 0 | 0 | 0 | 111 | A235 E237 N242 Q243 L244 D291 | A235-F240 HydrophobicContact CB-CB 4.11Å; E237-F240 HydrophobicContact CB-CD2 3.7Å; E237-F240 HydrophobicContact CB-CE2 3.98Å; E237-F240 HydrophobicContact CB-CG 4.24Å; E237-F240 HydrophobicContact CG-CD2 4.18Å; E237-F240 HydrophobicContact CG-CE2 4.06Å; E237-F240 PolarHBondContact O-N 3.47Å; E237-F240 WeakPolarHBondContact OE2-CD2 3.33Å; E237-F240 WeakPolarHBondContact OE2-CE2 3.28Å; F240-N242 VanDerWaalsContact C-N 3.33Å; F240-N242 PolarHBondContact O-N 2.93Å; F240-Q243 PolarHBondContact O-N 2.95Å; F240-L244 PolarHBondContact O-N 2.63Å; F240-D291 WeakPolarHBondContact CA-O 3.28Å; F240-D291 WeakPolarHBondContact CB-O 3.39Å; F240-D291 HydrophobicContact CD1-CB 3.64Å; F240-D291 WeakPolarHBondContact CD1-O 3.5Å; F240-D291 HydrophobicContact CE1-CB 3.79Å; F240-D291 VanDerWaalsContact CG-O 3.3Å; F240-D291 WeakPolarHBondContact CG-O 3.31Å |
| 241 | Y | 98.4 | Very high | 97.8 | Very high | 9 Ų | 9 | 51.2 Ų | 51.2 | 4% | 0.035 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -59.9 | -41.9 | 173.9 | -178.1 | -109.9 | 0 | 0 | 0 | 112 | F219 E237 T238 Q243 L244 L245 Q258 F271 | F219-Y241 HydrophobicContact CB-CD2 3.76Å; F219-Y241 HydrophobicContact CB-CE2 4.09Å; F219-Y241 AromaticContact CD1-CD2 3.92Å; F219-Y241 HydrophobicContact CD1-CD2 3.92Å; F219-Y241 AromaticContact CD1-CE2 3.76Å; F219-Y241 HydrophobicContact CD1-CE2 3.76Å; F219-Y241 AromaticContact CG-CD2 3.96Å; F219-Y241 HydrophobicContact CG-CD2 3.96Å; F219-Y241 HydrophobicContact CG-CE2 4.22Å; E237-Y241 PolarHBondContact O-N 2.74Å; T238-Y241 PolarHBondContact O-N 2.93Å; Y241-Q243 VanDerWaalsContact C-N 3.34Å; Y241-Q243 PolarHBondContact O-N 3.33Å; Y241-L244 HydrophobicContact CD2-CD2 4.39Å; Y241-L244 WeakPolarHBondContact O-CB 3.48Å; Y241-L244 PolarHBondContact O-N 2.93Å; Y241-L245 HydrophobicContact CD1-CD1 4.01Å; Y241-L245 HydrophobicContact CD1-CG 4.27Å; Y241-L245 HydrophobicContact CE1-CD1 3.44Å; Y241-L245 VanDerWaalsContact CE1-CD1 3.44Å; Y241-L245 HydrophobicContact CE1-CD2 4.32Å; Y241-L245 HydrophobicContact CE1-CG 3.89Å; Y241-L245 HydrophobicContact CE2-CD2 4.18Å; Y241-L245 HydrophobicContact CE2-CG 4.32Å; Y241-L245 WeakPolarHBondContact O-CG 3.22Å; Y241-L245 PolarHBondContact O-N 2.81Å; Y241-Q258 HydrophobicContact CD1-CB 4Å; Y241-Q258 HydrophobicContact CD1-CG 3.83Å; Y241-Q258 HydrophobicContact CD2-CG 4.06Å; Y241-Q258 HydrophobicContact CE1-CB 3.83Å; Y241-Q258 HydrophobicContact CE1-CG 3.93Å; Y241-Q258 HydrophobicContact CE2-CG 4.17Å; Y241-Q258 HydrophobicContact CG-CG 3.9Å; Y241-F271 HydrophobicContact CE2-CE2 4.11Å; Y241-F271 AromaticContact CE2-CZ 3.71Å; Y241-F271 HydrophobicContact CE2-CZ 3.71Å |
| 242 | N | 98 | Very high | 97.5 | Very high | 77 Ų | 77 | 53.6 Ų | 53.6 | 41% | 0.412 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -63.9 | -37.6 | 175.8 | -71.3 | -26.8 | 0 | 0 | 0 | 112.4 | T238 E239 F240 L245 K246 | T238-N242 WeakPolarHBondContact O-CB 3.45Å; T238-N242 PolarHBondContact O-N 3.26Å; T238-N242 PolarHBondContact O-ND2 3.44Å; E239-N242 PolarHBondContact O-N 3.34Å; F240-N242 VanDerWaalsContact C-N 3.33Å; F240-N242 PolarHBondContact O-N 2.93Å; N242-L245 PolarHBondContact O-N 2.92Å; N242-K246 WeakPolarHBondContact O-CB 3.42Å; N242-K246 PolarHBondContact O-N 2.81Å |
| 243 | Q | 98.4 | Very high | 97.2 | Very high | 79 Ų | 79 | 55.7 Ų | 55.7 | 37% | 0.369 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -66.7 | -39.5 | 173.2 | -63.9 | -60.5 | -21.8 | 0 | 0 | 111.7 | E239 F240 Y241 K246 G247 A292 | E239-Q243 WeakPolarHBondContact O-CG 3.09Å; E239-Q243 PolarHBondContact O-N 3.34Å; F240-Q243 PolarHBondContact O-N 2.95Å; Y241-Q243 VanDerWaalsContact C-N 3.34Å; Y241-Q243 PolarHBondContact O-N 3.33Å; Q243-K246 PolarHBondContact O-N 3.03Å; Q243-G247 PolarHBondContact O-N 2.98Å; Q243-A292 HydrophobicContact CB-CB 3.96Å |
| 244 | L | 98.7 | Very high | 97 | Very high | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -58.5 | -51.2 | 173.3 | 174.5 | 66.2 | 0 | 0 | 0 | 111.1 | F219 V233 A235 F240 Y241 K246 G247 L248 F271 F275 F287 A292 V294 | F219-L244 HydrophobicContact CB-CD2 4.16Å; V233-L244 HydrophobicContact CG1-CD1 4.23Å; V233-L244 HydrophobicContact CG1-CD2 3.64Å; A235-L244 HydrophobicContact CB-CB 4.14Å; A235-L244 HydrophobicContact CB-CD2 3.95Å; F240-L244 PolarHBondContact O-N 2.63Å; Y241-L244 HydrophobicContact CD2-CD2 4.39Å; Y241-L244 WeakPolarHBondContact O-CB 3.48Å; Y241-L244 PolarHBondContact O-N 2.93Å; L244-K246 VanDerWaalsContact C-N 3.33Å; L244-K246 PolarHBondContact O-N 2.84Å; L244-G247 PolarHBondContact O-N 2.91Å; L244-L248 HydrophobicContact CD1-CD1 3.91Å; L244-L248 HydrophobicContact CD1-CG 4.07Å; L244-L248 HydrophobicContact CG-CD1 3.95Å; L244-L248 HydrophobicContact CG-CG 4.42Å; L244-L248 WeakPolarHBondContact O-CB 3.2Å; L244-L248 WeakPolarHBondContact O-CG 3.48Å; L244-L248 PolarHBondContact O-N 3.22Å; L244-F271 HydrophobicContact CD2-CD2 4.37Å; L244-F271 HydrophobicContact CD2-CE2 3.59Å; L244-F271 HydrophobicContact CD2-CZ 4.23Å; L244-F271 HydrophobicContact CG-CE2 4.41Å; L244-F275 HydrophobicContact CD1-CE2 4.49Å; L244-F275 HydrophobicContact CD1-CZ 3.92Å; L244-F287 HydrophobicContact CD1-CE1 4.1Å; L244-F287 HydrophobicContact CD1-CZ 3.94Å; L244-A292 HydrophobicContact CB-CB 4.38Å; L244-V294 HydrophobicContact CD1-CG2 3.76Å |
| 245 | L | 98.5 | Very high | 96.9 | Very high | 3 Ų | 3 | 63.8 Ų | 63.8 | 2% | 0.016 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -58.9 | -44 | 178.3 | -69.8 | -172.9 | 0 | 0 | 0 | 112.1 | Y241 N242 G247 L248 E249 L250 A252 L255 F271 | Y241-L245 HydrophobicContact CD1-CD1 4.01Å; Y241-L245 HydrophobicContact CD1-CG 4.27Å; Y241-L245 HydrophobicContact CE1-CD1 3.44Å; Y241-L245 VanDerWaalsContact CE1-CD1 3.44Å; Y241-L245 HydrophobicContact CE1-CD2 4.32Å; Y241-L245 HydrophobicContact CE1-CG 3.89Å; Y241-L245 HydrophobicContact CE2-CD2 4.18Å; Y241-L245 HydrophobicContact CE2-CG 4.32Å; Y241-L245 WeakPolarHBondContact O-CG 3.22Å; Y241-L245 PolarHBondContact O-N 2.81Å; N242-L245 PolarHBondContact O-N 2.92Å; L245-G247 PolarHBondContact O-N 3.26Å; L245-L248 CarbonylContact O-C 3.58Å; L245-L248 PolarHBondContact O-N 3.42Å; L245-E249 PolarHBondContact O-N 3.05Å; L245-L250 HydrophobicContact CD2-CB 4.03Å; L245-L250 HydrophobicContact CD2-CD1 4.1Å; L245-L250 PolarHBondContact O-N 3.32Å; L245-A252 HydrophobicContact CD1-CB 3.67Å; L245-L255 HydrophobicContact CD1-CD1 3.97Å; L245-L255 HydrophobicContact CD2-CD1 3.47Å; L245-L255 VanDerWaalsContact CD2-CD1 3.47Å; L245-L255 HydrophobicContact CG-CD1 4.38Å; L245-F271 HydrophobicContact CD2-CE1 3.82Å; L245-F271 HydrophobicContact CD2-CZ 3.65Å |
| 246 | K | 98.3 | Very high | 96.7 | Very high | 156 Ų | 156 | 65.4 Ų | 65.4 | 68% | 0.678 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -58.4 | -46.3 | 175.5 | -178.5 | -179.7 | 175.9 | -172.9 | 0 | 111.9 | N242 Q243 L244 L248 E249 | N242-K246 WeakPolarHBondContact O-CB 3.42Å; N242-K246 PolarHBondContact O-N 2.81Å; Q243-K246 PolarHBondContact O-N 3.03Å; L244-K246 VanDerWaalsContact C-N 3.33Å; L244-K246 PolarHBondContact O-N 2.84Å; K246-L248 VanDerWaalsContact C-N 3.34Å; K246-E249 PolarHBondContact O-N 3.24Å; K246-E249 VanDerWaalsContact O-N 3.14Å |
| 247 | G | 98.1 | Very high | 96.6 | Very high | 12 Ų | 12 | 67.6 Ų | 67.6 | 12% | 0.124 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -68.7 | -31.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q243 L244 L245 E249 | Q243-G247 PolarHBondContact O-N 2.98Å; L244-G247 PolarHBondContact O-N 2.91Å; L245-G247 PolarHBondContact O-N 3.26Å; G247-E249 PolarHBondContact O-N 3.05Å |
| 248 | L | 98.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -77.2 | -5.7 | 172 | -67.4 | 179 | 0 | 0 | 0 | 113.5 | L244 L245 K246 L250 F271 R274 F275 W283 F287 | L244-L248 HydrophobicContact CD1-CD1 3.91Å; L244-L248 HydrophobicContact CD1-CG 4.07Å; L244-L248 HydrophobicContact CG-CD1 3.95Å; L244-L248 HydrophobicContact CG-CG 4.42Å; L244-L248 WeakPolarHBondContact O-CB 3.2Å; L244-L248 WeakPolarHBondContact O-CG 3.48Å; L244-L248 PolarHBondContact O-N 3.22Å; L245-L248 CarbonylContact O-C 3.58Å; L245-L248 PolarHBondContact O-N 3.42Å; K246-L248 VanDerWaalsContact C-N 3.34Å; L248-L250 VanDerWaalsContact C-N 3.29Å; L248-L250 HydrophobicContact CB-CD1 3.96Å; L248-L250 HydrophobicContact CB-CG 3.93Å; L248-L250 HydrophobicContact CD1-CD1 4.1Å; L248-L250 PolarHBondContact O-N 3.27Å; L248-F271 HydrophobicContact CD1-CD1 3.99Å; L248-F271 HydrophobicContact CD1-CD2 4.21Å; L248-F271 HydrophobicContact CD1-CE1 4Å; L248-F271 HydrophobicContact CD1-CE2 4.23Å; L248-F271 HydrophobicContact CD1-CG 4.1Å; L248-F271 HydrophobicContact CD1-CZ 4.1Å; L248-R274 HydrophobicContact CD2-CB 4.11Å; L248-R274 VanDerWaalsContact O-CZ 3.29Å; L248-R274 PolarHBondContact O-NE 3.08Å; L248-R274 PolarHBondContact O-NH2 3.24Å; L248-F275 HydrophobicContact CD1-CE2 4.18Å; L248-F275 HydrophobicContact CD1-CZ 4.48Å; L248-F275 HydrophobicContact CD2-CD1 4.25Å; L248-F275 HydrophobicContact CD2-CD2 4.26Å; L248-F275 HydrophobicContact CD2-CE1 3.98Å; L248-F275 HydrophobicContact CD2-CE2 3.97Å; L248-F275 HydrophobicContact CD2-CG 4.4Å; L248-F275 HydrophobicContact CD2-CZ 3.83Å; L248-W283 HydrophobicContact CD2-CH2 4.11Å; L248-W283 HydrophobicContact CD2-CZ3 4.09Å; L248-F287 HydrophobicContact CD2-CZ 4.14Å; L248-F287 HydrophobicContact CG-CZ 4.23Å |
| 249 | E | 97.6 | Very high | 96.4 | Very high | 136 Ų | 136 | 65 Ų | 65 | 64% | 0.636 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.4 | 41.9 | -173.8 | -52.6 | 166.5 | 165.2 | 0 | 0 | 112.2 | L245 K246 G247 R274 | L245-E249 PolarHBondContact O-N 3.05Å; K246-E249 PolarHBondContact O-N 3.24Å; K246-E249 VanDerWaalsContact O-N 3.14Å; G247-E249 PolarHBondContact O-N 3.05Å; E249-R274 IonicContact OE2-NH2 3.91Å; E249-R274 PolarHBondContact OE2-NH2 2.79Å |
| 250 | L | 97.6 | Very high | 96.2 | Very high | 30 Ų | 30 | 60.1 Ų | 60.1 | 16% | 0.157 | 33% | 0.331 | C | S | . | . | trans | -107.9 | 133.8 | 176.5 | -63.8 | 177.3 | 0 | 0 | 0 | 110.2 | L245 L248 L255 L270 F271 R274 | L245-L250 HydrophobicContact CD2-CB 4.03Å; L245-L250 HydrophobicContact CD2-CD1 4.1Å; L245-L250 PolarHBondContact O-N 3.32Å; L248-L250 VanDerWaalsContact C-N 3.29Å; L248-L250 HydrophobicContact CB-CD1 3.96Å; L248-L250 HydrophobicContact CB-CG 3.93Å; L248-L250 HydrophobicContact CD1-CD1 4.1Å; L248-L250 PolarHBondContact O-N 3.27Å; L250-L255 HydrophobicContact CB-CD1 4.09Å; L250-L255 HydrophobicContact CD1-CD1 4.34Å; L250-L270 HydrophobicContact CD1-CD2 3.92Å; L250-L270 HydrophobicContact CD1-CG 4.15Å; L250-L270 HydrophobicContact CD2-CD1 4.24Å; L250-L270 HydrophobicContact CD2-CD2 4.06Å; L250-L270 HydrophobicContact CD2-CG 4.32Å; L250-F271 HydrophobicContact CD1-CD1 3.87Å; L250-F271 HydrophobicContact CD1-CE1 3.58Å; L250-R274 HydrophobicContact CD1-CG 4.25Å; L250-R274 HydrophobicContact CD2-CG 4.12Å; L250-R274 HydrophobicContact CG-CG 4.41Å | ||
| 251 | D | 94.6 | Very high | 96 | Very high | 98 Ų | 98 | 60.2 Ų | 60.2 | 52% | 0.524 | 33% | 0.332 | S | S | . | . | trans | -82.5 | 117.9 | 175.8 | -171.3 | -9.8 | 0 | 0 | 0 | 110.5 | G253 E254 L255 | D251-G253 PolarHBondContact O-N 2.88Å; D251-G253 PolarHBondContact OD1-N 2.83Å; D251-E254 HydrophobicContact CB-CB 4.39Å; D251-E254 HydrophobicContact CB-CG 4.08Å; D251-E254 PolarHBondContact O-N 3.18Å; D251-L255 WeakPolarHBondContact O-CG 3.28Å; D251-L255 PolarHBondContact O-N 3Å | ||
| 252 | A | 91.9 | Very high | 95.8 | Very high | 51 Ų | 51 | 64.1 Ų | 64.1 | 42% | 0.421 | 36% | 0.361 | S | S | . | . | G | 310 helix | trans | -58.2 | -26.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113 | L245 E254 L255 | L245-A252 HydrophobicContact CD1-CB 3.67Å; A252-E254 VanDerWaalsContact C-N 3.27Å; A252-E254 PolarHBondContact O-N 2.83Å; A252-L255 PolarHBondContact O-N 3.29Å |
| 253 | G | 91.8 | Very high | 95.7 | Very high | 72 Ų | 72 | 62.7 Ų | 62.7 | 74% | 0.742 | 35% | 0.353 | S | S | * | . | G | 310 helix | trans | -71.3 | -19.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | D251 | D251-G253 PolarHBondContact O-N 2.88Å; D251-G253 PolarHBondContact OD1-N 2.83Å |
| 254 | E | 93.9 | Very high | 95.6 | Very high | 166 Ų | 166 | 59.2 Ų | 59.2 | 78% | 0.776 | 34% | 0.336 | S | S | * | . | G | 310 helix | trans | -99 | -5.7 | 178.6 | -60.8 | -172.3 | 157.6 | 0 | 0 | 112.6 | D251 A252 | D251-E254 HydrophobicContact CB-CB 4.39Å; D251-E254 HydrophobicContact CB-CG 4.08Å; D251-E254 PolarHBondContact O-N 3.18Å; A252-E254 VanDerWaalsContact C-N 3.27Å; A252-E254 PolarHBondContact O-N 2.83Å |
| 255 | L | 95.8 | Very high | 95.4 | Very high | 33 Ų | 33 | 63.5 Ų | 63.5 | 17% | 0.173 | 36% | 0.364 | C | S | . | . | S | Bend | trans | -102.2 | 150.9 | -177.3 | -64.4 | -177.3 | 0 | 0 | 0 | 112.5 | L245 L250 D251 A252 L267 L270 | L245-L255 HydrophobicContact CD1-CD1 3.97Å; L245-L255 HydrophobicContact CD2-CD1 3.47Å; L245-L255 VanDerWaalsContact CD2-CD1 3.47Å; L245-L255 HydrophobicContact CG-CD1 4.38Å; L250-L255 HydrophobicContact CB-CD1 4.09Å; L250-L255 HydrophobicContact CD1-CD1 4.34Å; D251-L255 WeakPolarHBondContact O-CG 3.28Å; D251-L255 PolarHBondContact O-N 3Å; A252-L255 PolarHBondContact O-N 3.29Å; L255-L267 HydrophobicContact CB-CD2 4.25Å; L255-L267 HydrophobicContact CD1-CD2 4.22Å; L255-L267 HydrophobicContact CD2-CD2 3.92Å; L255-L267 HydrophobicContact CG-CD2 4.35Å; L255-L270 HydrophobicContact CD2-CD2 3.5Å; L255-L270 VanDerWaalsContact CD2-CD2 3.5Å |
| 256 | P | 94.6 | Very high | 95.3 | Very high | 35 Ų | 35 | 69.7 Ų | 69.7 | 23% | 0.227 | 39% | 0.393 | C | S | . | . | P | Polyproline II helix | trans | -55.6 | 154.5 | 166.3 | -24 | 32.6 | 0 | 0 | 0 | 112.6 | Q258 D263 L267 | P256-Q258 PolarHBondContact O-N 3.3Å; P256-D263 HydrophobicContact CB-CB 3.56Å; P256-D263 WeakPolarHBondContact CB-OD2 3.26Å; P256-D263 HydrophobicContact CG-CB 3.79Å; P256-L267 HydrophobicContact CB-CD1 4.38Å; P256-L267 HydrophobicContact CG-CG 4.44Å |
| 257 | P | 94.6 | Very high | 95.3 | Very high | 95 Ų | 95 | 62.4 Ų | 62.4 | 62% | 0.617 | 36% | 0.361 | S | S | * | . | P | Polyproline II helix | trans | -55.4 | 138.1 | 175.5 | -24 | 33.6 | 0 | 0 | 0 | 112 | M259 S260 | P257-M259 PolarHBondContact O-N 3.21Å; P257-M259 VanDerWaalsContact O-N 3.07Å; P257-S260 WeakPolarHBondContact O-CB 3.35Å; P257-S260 PolarHBondContact O-N 2.8Å |
| 258 | Q | 95.4 | Very high | 95.2 | Very high | 23 Ų | 23 | 64.1 Ų | 64.1 | 11% | 0.107 | 37% | 0.366 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -48.6 | -43.6 | -175.9 | -175.6 | -171.4 | 1.2 | 0 | 0 | 113.3 | F219 I236 Y241 P256 S260 W264 | F219-Q258 HydrophobicContact CD1-CG 3.8Å; F219-Q258 HydrophobicContact CE1-CG 3.37Å; F219-Q258 VanDerWaalsContact CE1-O 3.31Å; F219-Q258 WeakPolarHBondContact CE1-O 3.08Å; F219-Q258 HydrophobicContact CE2-CG 4.38Å; F219-Q258 HydrophobicContact CG-CG 4.49Å; F219-Q258 HydrophobicContact CZ-CG 3.69Å; I236-Q258 PolarHBondContact O-NE2 3.08Å; Y241-Q258 HydrophobicContact CD1-CB 4Å; Y241-Q258 HydrophobicContact CD1-CG 3.83Å; Y241-Q258 HydrophobicContact CD2-CG 4.06Å; Y241-Q258 HydrophobicContact CE1-CB 3.83Å; Y241-Q258 HydrophobicContact CE1-CG 3.93Å; Y241-Q258 HydrophobicContact CE2-CG 4.17Å; Y241-Q258 HydrophobicContact CG-CG 3.9Å; P256-Q258 PolarHBondContact O-N 3.3Å; Q258-S260 VanDerWaalsContact C-N 3.3Å; Q258-S260 PolarHBondContact O-N 3.46Å; Q258-W264 PolarHBondContact O-NE1 3.23Å |
| 259 | M | 94.3 | Very high | 95.2 | Very high | 97 Ų | 97 | 69.9 Ų | 69.9 | 48% | 0.478 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | 17.4 | -177.5 | -63.3 | -62 | -77.5 | 0 | 0 | 113.6 | L212 F219 P257 F261 W264 | L212-M259 HydrophobicContact CD1-CE 4.44Å; L212-M259 HydrophobicContact CD1-SD 4.49Å; F219-M259 HydrophobicContact CZ-SD 3.99Å; P257-M259 PolarHBondContact O-N 3.21Å; P257-M259 VanDerWaalsContact O-N 3.07Å; M259-F261 HydrophobicContact CE-CE2 4.41Å; M259-F261 HydrophobicContact CE-CZ 4.41Å; M259-F261 WeakPolarHBondContact O-CD2 3.36Å; M259-F261 PolarHBondContact O-N 3.35Å; M259-F261 VanDerWaalsContact O-N 3.15Å; M259-W264 HydrophobicContact SD-CZ2 4.36Å |
| 260 | S | 94.3 | Very high | 95.2 | Very high | 27 Ų | 27 | 65.7 Ų | 65.7 | 19% | 0.189 | 37% | 0.374 | C | S | . | . | trans | -81 | 90.3 | 173.5 | -166.7 | 0 | 0 | 0 | 0 | 110.9 | P257 Q258 S262 D263 W264 | P257-S260 WeakPolarHBondContact O-CB 3.35Å; P257-S260 PolarHBondContact O-N 2.8Å; Q258-S260 VanDerWaalsContact C-N 3.3Å; Q258-S260 PolarHBondContact O-N 3.46Å; S260-S262 PolarHBondContact O-N 3.43Å; S260-S262 PolarHBondContact OG-OG 3.29Å; S260-D263 WeakPolarHBondContact CB-OD2 3.41Å; S260-D263 PolarHBondContact O-N 2.96Å; S260-D263 VanDerWaalsContact OG-CG 3.24Å; S260-D263 PolarHBondContact OG-OD2 3.18Å; S260-W264 PolarHBondContact O-N 3.48Å | ||
| 261 | F | 92.8 | Very high | 95.3 | Very high | 66 Ų | 66 | 64.3 Ų | 64.3 | 29% | 0.289 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -27.7 | -177.1 | -69.5 | -104.2 | 0 | 0 | 0 | 114.1 | M259 D263 W264 | M259-F261 HydrophobicContact CE-CE2 4.41Å; M259-F261 HydrophobicContact CE-CZ 4.41Å; M259-F261 WeakPolarHBondContact O-CD2 3.36Å; M259-F261 PolarHBondContact O-N 3.35Å; M259-F261 VanDerWaalsContact O-N 3.15Å; F261-D263 PolarHBondContact O-N 3.34Å; F261-W264 HydrophobicContact CD1-CD2 4.27Å; F261-W264 AromaticContact CD1-CE3 3.71Å; F261-W264 HydrophobicContact CD1-CE3 3.71Å; F261-W264 AromaticContact CD1-CH2 3.34Å; F261-W264 HydrophobicContact CD1-CH2 3.34Å; F261-W264 AromaticContact CD1-CZ2 3.92Å; F261-W264 HydrophobicContact CD1-CZ2 3.92Å; F261-W264 AromaticContact CD1-CZ3 3.22Å; F261-W264 HydrophobicContact CD1-CZ3 3.22Å; F261-W264 HydrophobicContact CD2-CZ2 4.41Å; F261-W264 HydrophobicContact CE1-CE3 4.3Å; F261-W264 AromaticContact CE1-CH2 3.12Å; F261-W264 HydrophobicContact CE1-CH2 3.12Å; F261-W264 AromaticContact CE1-CZ2 3.89Å; F261-W264 HydrophobicContact CE1-CZ2 3.89Å; F261-W264 AromaticContact CE1-CZ3 3.37Å; F261-W264 HydrophobicContact CE1-CZ3 3.37Å; F261-W264 HydrophobicContact CE2-CH2 4.32Å; F261-W264 HydrophobicContact CE2-CZ2 4.34Å; F261-W264 HydrophobicContact CG-CD2 4.44Å; F261-W264 HydrophobicContact CG-CE3 4.3Å; F261-W264 HydrophobicContact CG-CH2 4.08Å; F261-W264 HydrophobicContact CG-CZ2 4.19Å; F261-W264 HydrophobicContact CG-CZ3 4.13Å; F261-W264 AromaticContact CZ-CH2 3.65Å; F261-W264 HydrophobicContact CZ-CH2 3.65Å; F261-W264 HydrophobicContact CZ-CZ2 4.09Å; F261-W264 HydrophobicContact CZ-CZ3 4.34Å |
| 262 | S | 94.2 | Very high | 95.5 | Very high | 91 Ų | 91 | 62.6 Ų | 62.6 | 64% | 0.636 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | -27.5 | 175.8 | 50.9 | 0 | 0 | 0 | 0 | 112.4 | S260 P265 | S260-S262 PolarHBondContact O-N 3.43Å; S260-S262 PolarHBondContact OG-OG 3.29Å; S262-P265 WeakPolarHBondContact O-CD 3.45Å |
| 263 | D | 95.9 | Very high | 95.8 | Very high | 46 Ų | 46 | 65.4 Ų | 65.4 | 25% | 0.246 | 36% | 0.364 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.2 | -8.3 | -172.1 | -47.8 | -25.8 | 0 | 0 | 0 | 111.3 | P256 S260 F261 P265 E266 L267 | P256-D263 HydrophobicContact CB-CB 3.56Å; P256-D263 WeakPolarHBondContact CB-OD2 3.26Å; P256-D263 HydrophobicContact CG-CB 3.79Å; S260-D263 WeakPolarHBondContact CB-OD2 3.41Å; S260-D263 PolarHBondContact O-N 2.96Å; S260-D263 VanDerWaalsContact OG-CG 3.24Å; S260-D263 PolarHBondContact OG-OD2 3.18Å; F261-D263 PolarHBondContact O-N 3.34Å; D263-P265 VanDerWaalsContact C-CD 3.45Å; D263-E266 PolarHBondContact O-N 3.26Å; D263-L267 PolarHBondContact O-N 3.41Å |
| 264 | W | 96.4 | Very high | 96.1 | Very high | 6 Ų | 6 | 64.9 Ų | 64.9 | 2% | 0.023 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -53.5 | -40.1 | 174.6 | -76.9 | 1.2 | 0 | 0 | 0 | 114.8 | L212 A217 P218 F219 Q258 M259 S260 F261 E266 L267 K268 | L212-W264 HydrophobicContact CB-CH2 4.37Å; L212-W264 HydrophobicContact CD1-CH2 4Å; L212-W264 HydrophobicContact CD1-CZ2 4.3Å; A217-W264 HydrophobicContact CB-CD2 4.42Å; A217-W264 HydrophobicContact CB-CE3 4.26Å; A217-W264 HydrophobicContact CB-CH2 3.8Å; A217-W264 HydrophobicContact CB-CZ2 3.99Å; A217-W264 HydrophobicContact CB-CZ3 3.95Å; P218-W264 HydrophobicContact CG-CB 4.08Å; P218-W264 HydrophobicContact CG-CG 4.13Å; P218-W264 WeakPolarHBondContact CG-O 3.31Å; F219-W264 HydrophobicContact CE1-CZ2 4.41Å; F219-W264 AromaticContact CE1-NE1 3.89Å; F219-W264 AromaticContact CZ-CZ2 3.96Å; F219-W264 HydrophobicContact CZ-CZ2 3.96Å; Q258-W264 PolarHBondContact O-NE1 3.23Å; M259-W264 HydrophobicContact SD-CZ2 4.36Å; S260-W264 PolarHBondContact O-N 3.48Å; F261-W264 HydrophobicContact CD1-CD2 4.27Å; F261-W264 AromaticContact CD1-CE3 3.71Å; F261-W264 HydrophobicContact CD1-CE3 3.71Å; F261-W264 AromaticContact CD1-CH2 3.34Å; F261-W264 HydrophobicContact CD1-CH2 3.34Å; F261-W264 AromaticContact CD1-CZ2 3.92Å; F261-W264 HydrophobicContact CD1-CZ2 3.92Å; F261-W264 AromaticContact CD1-CZ3 3.22Å; F261-W264 HydrophobicContact CD1-CZ3 3.22Å; F261-W264 HydrophobicContact CD2-CZ2 4.41Å; F261-W264 HydrophobicContact CE1-CE3 4.3Å; F261-W264 AromaticContact CE1-CH2 3.12Å; F261-W264 HydrophobicContact CE1-CH2 3.12Å; F261-W264 AromaticContact CE1-CZ2 3.89Å; F261-W264 HydrophobicContact CE1-CZ2 3.89Å; F261-W264 AromaticContact CE1-CZ3 3.37Å; F261-W264 HydrophobicContact CE1-CZ3 3.37Å; F261-W264 HydrophobicContact CE2-CH2 4.32Å; F261-W264 HydrophobicContact CE2-CZ2 4.34Å; F261-W264 HydrophobicContact CG-CD2 4.44Å; F261-W264 HydrophobicContact CG-CE3 4.3Å; F261-W264 HydrophobicContact CG-CH2 4.08Å; F261-W264 HydrophobicContact CG-CZ2 4.19Å; F261-W264 HydrophobicContact CG-CZ3 4.13Å; F261-W264 AromaticContact CZ-CH2 3.65Å; F261-W264 HydrophobicContact CZ-CH2 3.65Å; F261-W264 HydrophobicContact CZ-CZ2 4.09Å; F261-W264 HydrophobicContact CZ-CZ3 4.34Å; W264-E266 VanDerWaalsContact C-N 3.33Å; W264-E266 PolarHBondContact O-N 2.96Å; W264-L267 PolarHBondContact O-N 2.91Å; W264-K268 VanDerWaalsContact O-CB 3.22Å; W264-K268 WeakPolarHBondContact O-CB 3.22Å; W264-K268 PolarHBondContact O-N 2.78Å |
| 265 | P | 95.7 | Very high | 96.3 | Very high | 90 Ų | 90 | 57 Ų | 57 | 58% | 0.584 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -58.7 | -43.1 | 176.2 | -26.3 | 36.6 | 0 | 0 | 0 | 113 | S262 D263 K268 Q269 | S262-P265 WeakPolarHBondContact O-CD 3.45Å; D263-P265 VanDerWaalsContact C-CD 3.45Å; P265-K268 PolarHBondContact O-N 2.8Å; P265-Q269 PolarHBondContact O-N 2.94Å; P265-Q269 VanDerWaalsContact O-N 3.12Å |
| 266 | E | 95.9 | Very high | 96.5 | Very high | 134 Ų | 134 | 57.4 Ų | 57.4 | 63% | 0.626 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -68.4 | -47.9 | 178.3 | -177.4 | 177.1 | -173.3 | 0 | 0 | 111.2 | D263 W264 K268 Q269 L270 | D263-E266 PolarHBondContact O-N 3.26Å; W264-E266 VanDerWaalsContact C-N 3.33Å; W264-E266 PolarHBondContact O-N 2.96Å; E266-K268 VanDerWaalsContact C-N 3.26Å; E266-K268 PolarHBondContact O-N 3.26Å; E266-Q269 WeakPolarHBondContact O-CB 3.41Å; E266-Q269 PolarHBondContact O-N 3.45Å; E266-Q269 VanDerWaalsContact O-N 3.12Å; E266-L270 PolarHBondContact O-N 2.71Å |
| 267 | L | 97.1 | Very high | 96.7 | Very high | 2 Ų | 2 | 58.4 Ų | 58.4 | 1% | 0.01 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -58.6 | -37.7 | 175.8 | -78.8 | 176.4 | 0 | 0 | 0 | 112.6 | P218 L255 P256 D263 W264 L270 F271 | P218-L267 HydrophobicContact CB-CB 4.15Å; P218-L267 HydrophobicContact CG-CB 3.61Å; L255-L267 HydrophobicContact CB-CD2 4.25Å; L255-L267 HydrophobicContact CD1-CD2 4.22Å; L255-L267 HydrophobicContact CD2-CD2 3.92Å; L255-L267 HydrophobicContact CG-CD2 4.35Å; P256-L267 HydrophobicContact CB-CD1 4.38Å; P256-L267 HydrophobicContact CG-CG 4.44Å; D263-L267 PolarHBondContact O-N 3.41Å; W264-L267 PolarHBondContact O-N 2.91Å; L267-L270 PolarHBondContact O-N 2.82Å; L267-F271 WeakPolarHBondContact O-CB 3.34Å; L267-F271 WeakPolarHBondContact O-CD1 3.42Å; L267-F271 WeakPolarHBondContact O-CG 3.49Å; L267-F271 PolarHBondContact O-N 2.92Å |
| 268 | K | 97.5 | Very high | 96.9 | Very high | 49 Ų | 49 | 56.9 Ų | 56.9 | 21% | 0.213 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -67.1 | -39.7 | 176.8 | -172.7 | 176.1 | -64.9 | 168.8 | 0 | 111.8 | S215 G216 P218 D221 Y223 W264 P265 E266 F271 T272 | S215-K268 PolarHBondContact O-NZ 3.45Å; G216-K268 WeakPolarHBondContact O-CE 3.27Å; G216-K268 PolarHBondContact O-NZ 2.87Å; P218-K268 HydrophobicContact CB-CB 4.29Å; P218-K268 HydrophobicContact CG-CB 4.18Å; D221-K268 IonicContact OD2-NZ 3.07Å; Y223-K268 HydrophobicContact CE1-CG 4.37Å; W264-K268 VanDerWaalsContact O-CB 3.22Å; W264-K268 WeakPolarHBondContact O-CB 3.22Å; W264-K268 PolarHBondContact O-N 2.78Å; P265-K268 PolarHBondContact O-N 2.8Å; E266-K268 VanDerWaalsContact C-N 3.26Å; E266-K268 PolarHBondContact O-N 3.26Å; K268-F271 PolarHBondContact O-N 3.27Å; K268-T272 VanDerWaalsContact O-CB 3.31Å; K268-T272 WeakPolarHBondContact O-CB 3.48Å; K268-T272 PolarHBondContact O-N 3.47Å; K268-T272 PolarHBondContact O-OG1 3.1Å |
| 269 | Q | 97.6 | Very high | 97 | Very high | 120 Ų | 120 | 57.6 Ų | 57.6 | 56% | 0.561 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -61.1 | -48.7 | 173.6 | -178.1 | 178 | -11.3 | 0 | 0 | 110.4 | P265 E266 F271 T272 E273 | P265-Q269 PolarHBondContact O-N 2.94Å; P265-Q269 VanDerWaalsContact O-N 3.12Å; E266-Q269 WeakPolarHBondContact O-CB 3.41Å; E266-Q269 PolarHBondContact O-N 3.45Å; E266-Q269 VanDerWaalsContact O-N 3.12Å; Q269-F271 PolarHBondContact O-N 2.9Å; Q269-T272 WeakPolarHBondContact O-CB 3.34Å; Q269-T272 PolarHBondContact O-N 3.33Å; Q269-E273 WeakPolarHBondContact CG-OE1 3.32Å; Q269-E273 PolarHBondContact NE2-OE1 3.42Å; Q269-E273 WeakPolarHBondContact O-CG 3.39Å; Q269-E273 PolarHBondContact O-N 3.49Å |
| 270 | L | 98.1 | Very high | 97.2 | Very high | 49 Ų | 49 | 53.6 Ų | 53.6 | 26% | 0.257 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -56.7 | -48.8 | 176.6 | 177.5 | 62.7 | 0 | 0 | 0 | 111.7 | L250 L255 E266 L267 T272 E273 R274 | L250-L270 HydrophobicContact CD1-CD2 3.92Å; L250-L270 HydrophobicContact CD1-CG 4.15Å; L250-L270 HydrophobicContact CD2-CD1 4.24Å; L250-L270 HydrophobicContact CD2-CD2 4.06Å; L250-L270 HydrophobicContact CD2-CG 4.32Å; L255-L270 HydrophobicContact CD2-CD2 3.5Å; L255-L270 VanDerWaalsContact CD2-CD2 3.5Å; E266-L270 PolarHBondContact O-N 2.71Å; L267-L270 PolarHBondContact O-N 2.82Å; L270-T272 VanDerWaalsContact C-N 3.31Å; L270-T272 PolarHBondContact O-N 3.04Å; L270-E273 PolarHBondContact O-N 3.47Å; L270-R274 HydrophobicContact CD1-CG 4.26Å; L270-R274 VanDerWaalsContact O-CG 3.32Å; L270-R274 WeakPolarHBondContact O-CG 3.3Å; L270-R274 PolarHBondContact O-N 3.43Å |
| 271 | F | 98.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -62.7 | -40.4 | 179 | -79.4 | 23 | 0 | 0 | 0 | 111.3 | P218 Y223 Y241 L244 L245 L248 L250 L267 K268 Q269 E273 R274 F275 | P218-F271 HydrophobicContact CB-CD2 3.92Å; P218-F271 HydrophobicContact CB-CE2 4.14Å; P218-F271 HydrophobicContact CB-CG 4.42Å; P218-F271 WeakPolarHBondContact O-CD2 3.15Å; Y223-F271 HydrophobicContact CD1-CB 4.48Å; Y223-F271 HydrophobicContact CE1-CB 3.7Å; Y223-F271 HydrophobicContact CE2-CB 4.36Å; Y223-F271 HydrophobicContact CE2-CD2 4.41Å; Y241-F271 HydrophobicContact CE2-CE2 4.11Å; Y241-F271 AromaticContact CE2-CZ 3.71Å; Y241-F271 HydrophobicContact CE2-CZ 3.71Å; L244-F271 HydrophobicContact CD2-CD2 4.37Å; L244-F271 HydrophobicContact CD2-CE2 3.59Å; L244-F271 HydrophobicContact CD2-CZ 4.23Å; L244-F271 HydrophobicContact CG-CE2 4.41Å; L245-F271 HydrophobicContact CD2-CE1 3.82Å; L245-F271 HydrophobicContact CD2-CZ 3.65Å; L248-F271 HydrophobicContact CD1-CD1 3.99Å; L248-F271 HydrophobicContact CD1-CD2 4.21Å; L248-F271 HydrophobicContact CD1-CE1 4Å; L248-F271 HydrophobicContact CD1-CE2 4.23Å; L248-F271 HydrophobicContact CD1-CG 4.1Å; L248-F271 HydrophobicContact CD1-CZ 4.1Å; L250-F271 HydrophobicContact CD1-CD1 3.87Å; L250-F271 HydrophobicContact CD1-CE1 3.58Å; L267-F271 WeakPolarHBondContact O-CB 3.34Å; L267-F271 WeakPolarHBondContact O-CD1 3.42Å; L267-F271 WeakPolarHBondContact O-CG 3.49Å; L267-F271 PolarHBondContact O-N 2.92Å; K268-F271 PolarHBondContact O-N 3.27Å; Q269-F271 PolarHBondContact O-N 2.9Å; F271-E273 PolarHBondContact O-N 2.85Å; F271-R274 PolarHBondContact O-N 2.91Å; F271-F275 HydrophobicContact CB-CD2 4.45Å; F271-F275 WeakPolarHBondContact O-CB 3.35Å; F271-F275 WeakPolarHBondContact O-CD2 3.36Å; F271-F275 PolarHBondContact O-N 2.92Å |
| 272 | T | 98.6 | Very high | 97.6 | Very high | 62 Ų | 62 | 54.7 Ų | 54.7 | 38% | 0.38 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -58.7 | -47.6 | 175.4 | -58.9 | 0 | 0 | 0 | 0 | 111.5 | Y223 K268 Q269 L270 A276 | Y223-T272 WeakPolarHBondContact CE1-OG1 3.38Å; K268-T272 VanDerWaalsContact O-CB 3.31Å; K268-T272 WeakPolarHBondContact O-CB 3.48Å; K268-T272 PolarHBondContact O-N 3.47Å; K268-T272 PolarHBondContact O-OG1 3.1Å; Q269-T272 WeakPolarHBondContact O-CB 3.34Å; Q269-T272 PolarHBondContact O-N 3.33Å; L270-T272 VanDerWaalsContact C-N 3.31Å; L270-T272 PolarHBondContact O-N 3.04Å; T272-A276 VanDerWaalsContact O-CB 3.28Å; T272-A276 WeakPolarHBondContact O-CB 3.41Å; T272-A276 PolarHBondContact O-N 3.45Å |
| 273 | E | 98.4 | Very high | 97.9 | Very high | 111 Ų | 111 | 50.3 Ų | 50.3 | 52% | 0.519 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -64.2 | -42.4 | 177.9 | -70.6 | 172.4 | -169.3 | 0 | 0 | 111.7 | Q269 L270 F271 A276 S277 | Q269-E273 WeakPolarHBondContact CG-OE1 3.32Å; Q269-E273 PolarHBondContact NE2-OE1 3.42Å; Q269-E273 WeakPolarHBondContact O-CG 3.39Å; Q269-E273 PolarHBondContact O-N 3.49Å; L270-E273 PolarHBondContact O-N 3.47Å; F271-E273 PolarHBondContact O-N 2.85Å; E273-A276 PolarHBondContact O-N 3.42Å; E273-S277 PolarHBondContact O-N 2.64Å |
| 274 | R | 98.5 | Very high | 97.9 | Very high | 61 Ų | 61 | 50.5 Ų | 50.5 | 23% | 0.23 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61.5 | -55.1 | 176.1 | -68 | -58.2 | -65.8 | 161.1 | -4.5 | 110.8 | L248 E249 L250 L270 F271 A276 S277 W283 | L248-R274 HydrophobicContact CD2-CB 4.11Å; L248-R274 VanDerWaalsContact O-CZ 3.29Å; L248-R274 PolarHBondContact O-NE 3.08Å; L248-R274 PolarHBondContact O-NH2 3.24Å; E249-R274 IonicContact OE2-NH2 3.91Å; E249-R274 PolarHBondContact OE2-NH2 2.79Å; L250-R274 HydrophobicContact CD1-CG 4.25Å; L250-R274 HydrophobicContact CD2-CG 4.12Å; L250-R274 HydrophobicContact CG-CG 4.41Å; L270-R274 HydrophobicContact CD1-CG 4.26Å; L270-R274 VanDerWaalsContact O-CG 3.32Å; L270-R274 WeakPolarHBondContact O-CG 3.3Å; L270-R274 PolarHBondContact O-N 3.43Å; F271-R274 PolarHBondContact O-N 2.91Å; R274-A276 PolarHBondContact O-N 2.86Å; R274-S277 VanDerWaalsContact O-CB 3.29Å; R274-S277 WeakPolarHBondContact O-CB 3.39Å; R274-S277 PolarHBondContact O-N 3.41Å; R274-S277 PolarHBondContact O-OG 2.89Å; R274-W283 WeakPolarHBondContact O-CZ2 3.27Å |
| 275 | F | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -60.4 | -32.5 | -179.7 | -81.7 | -67.2 | 0 | 0 | 0 | 113.1 | Y223 T225 L231 V233 L244 L248 F271 S277 W283 F287 V294 | Y223-F275 AromaticContact CD1-CD2 3.93Å; Y223-F275 HydrophobicContact CD1-CD2 3.93Å; Y223-F275 AromaticContact CD2-CD2 3.49Å; Y223-F275 HydrophobicContact CD2-CD2 3.49Å; Y223-F275 VanDerWaalsContact CD2-CD2 3.49Å; Y223-F275 AromaticContact CD2-CE2 3.49Å; Y223-F275 HydrophobicContact CD2-CE2 3.49Å; Y223-F275 VanDerWaalsContact CD2-CE2 3.49Å; Y223-F275 HydrophobicContact CD2-CG 4.4Å; Y223-F275 HydrophobicContact CD2-CZ 4.38Å; Y223-F275 HydrophobicContact CE2-CD2 4.16Å; Y223-F275 AromaticContact CE2-CE2 3.95Å; Y223-F275 HydrophobicContact CE2-CE2 3.95Å; Y223-F275 HydrophobicContact CG-CB 4.27Å; Y223-F275 AromaticContact CG-CD2 3.34Å; Y223-F275 HydrophobicContact CG-CD2 3.34Å; Y223-F275 AromaticContact CG-CE2 3.88Å; Y223-F275 HydrophobicContact CG-CE2 3.88Å; Y223-F275 HydrophobicContact CG-CG 4Å; T225-F275 WeakPolarHBondContact CA-O 3.35Å; L231-F275 HydrophobicContact CD1-CD1 3.72Å; L231-F275 HydrophobicContact CD1-CE1 3.76Å; V233-F275 HydrophobicContact CG2-CE1 4.47Å; V233-F275 HydrophobicContact CG2-CE2 3.82Å; V233-F275 HydrophobicContact CG2-CZ 3.56Å; L244-F275 HydrophobicContact CD1-CE2 4.49Å; L244-F275 HydrophobicContact CD1-CZ 3.92Å; L248-F275 HydrophobicContact CD1-CE2 4.18Å; L248-F275 HydrophobicContact CD1-CZ 4.48Å; L248-F275 HydrophobicContact CD2-CD1 4.25Å; L248-F275 HydrophobicContact CD2-CD2 4.26Å; L248-F275 HydrophobicContact CD2-CE1 3.98Å; L248-F275 HydrophobicContact CD2-CE2 3.97Å; L248-F275 HydrophobicContact CD2-CG 4.4Å; L248-F275 HydrophobicContact CD2-CZ 3.83Å; F271-F275 HydrophobicContact CB-CD2 4.45Å; F271-F275 WeakPolarHBondContact O-CB 3.35Å; F271-F275 WeakPolarHBondContact O-CD2 3.36Å; F271-F275 PolarHBondContact O-N 2.92Å; F275-S277 PolarHBondContact O-N 3.37Å; F275-W283 HydrophobicContact CD1-CD2 4.19Å; F275-W283 HydrophobicContact CD1-CG 4.27Å; F275-W283 PolarHBondContact O-NE1 2.96Å; F275-F287 AromaticContact CE1-CE2 3.92Å; F275-F287 HydrophobicContact CE1-CE2 3.92Å; F275-F287 HydrophobicContact CE1-CZ 4.5Å; F275-F287 HydrophobicContact CZ-CE2 4.43Å; F275-V294 HydrophobicContact CE1-CG1 4.38Å |
| 276 | A | 98.8 | Very high | 98.1 | Very high | 42 Ų | 42 | 55.5 Ų | 55.5 | 35% | 0.347 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -12.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | K224 L226 T272 E273 R274 | K224-A276 PolarHBondContact O-N 2.62Å; L226-A276 WeakPolarHBondContact CA-O 3.44Å; L226-A276 WeakPolarHBondContact CB-O 3.21Å; T272-A276 VanDerWaalsContact O-CB 3.28Å; T272-A276 WeakPolarHBondContact O-CB 3.41Å; T272-A276 PolarHBondContact O-N 3.45Å; E273-A276 PolarHBondContact O-N 3.42Å; R274-A276 PolarHBondContact O-N 2.86Å |
| 277 | S | 98.6 | Very high | 98.2 | Very high | 56 Ų | 56 | 49.5 Ų | 49.5 | 39% | 0.392 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -16.9 | -175.6 | 72.3 | 0 | 0 | 0 | 0 | 115.4 | E273 R274 F275 | E273-S277 PolarHBondContact O-N 2.64Å; R274-S277 VanDerWaalsContact O-CB 3.29Å; R274-S277 WeakPolarHBondContact O-CB 3.39Å; R274-S277 PolarHBondContact O-N 3.41Å; R274-S277 PolarHBondContact O-OG 2.89Å; F275-S277 PolarHBondContact O-N 3.37Å |
| 278 | K | 98.8 | Very high | 98.2 | Very high | 62 Ų | 62 | 56.1 Ų | 56.1 | 27% | 0.27 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -133 | 162.2 | 177.6 | -48.9 | 178.3 | -173.6 | -79.3 | 0 | 111.2 | L226 D282 W283 I286 | L226-K278 VanDerWaalsContact CB-C 3.43Å; L226-K278 VanDerWaalsContact CB-O 3.26Å; L226-K278 WeakPolarHBondContact CB-O 3.37Å; L226-K278 PolarHBondContact N-O 2.48Å; K278-D282 HydrophobicContact CB-CB 3.85Å; K278-D282 HydrophobicContact CD-CB 4.28Å; K278-W283 HydrophobicContact CB-CD2 4.28Å; K278-W283 HydrophobicContact CB-CG 4.5Å; K278-W283 HydrophobicContact CB-CZ2 3.88Å; K278-W283 HydrophobicContact CD-CD2 4.2Å; K278-W283 HydrophobicContact CD-CE3 4.19Å; K278-W283 HydrophobicContact CD-CH2 3.68Å; K278-W283 HydrophobicContact CD-CZ2 3.65Å; K278-W283 HydrophobicContact CD-CZ3 3.96Å; K278-W283 HydrophobicContact CG-CH2 4.13Å; K278-W283 HydrophobicContact CG-CZ2 3.62Å; K278-W283 PolarHBondContact O-NE1 3.26Å; K278-I286 HydrophobicContact CD-CD1 3.82Å |
| 279 | T | 98.8 | Very high | 98 | Very high | 38 Ų | 38 | 57.7 Ų | 57.7 | 23% | 0.233 | 33% | 0.33 | C | S | . | . | trans | -69.9 | 160.5 | 175.5 | 71.1 | 0 | 0 | 0 | 0 | 110.7 | L226 D227 A281 D282 W283 | L226-T279 HydrophobicContact CD2-CG2 4.43Å; D227-T279 HydrophobicContact CB-CG2 4.25Å; D227-T279 WeakPolarHBondContact OD1-CA 3.37Å; T279-A281 PolarHBondContact O-N 3.27Å; T279-D282 WeakPolarHBondContact CB-OD2 3.46Å; T279-D282 PolarHBondContact N-OD2 3.2Å; T279-D282 PolarHBondContact O-N 3.27Å; T279-D282 PolarHBondContact OG1-N 2.98Å; T279-D282 PolarHBondContact OG1-OD2 2.94Å; T279-W283 VanDerWaalsContact O-CD1 3.23Å; T279-W283 PolarHBondContact O-N 2.87Å | ||
| 280 | Q | 98.3 | Very high | 98 | Very high | 14 Ų | 14 | 54.6 Ų | 54.6 | 7% | 0.065 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -53.9 | -41.6 | 173.1 | -170.4 | -169.9 | 57 | 0 | 0 | 111.9 | T225 D227 K229 Y230 L231 D282 W283 L284 | T225-Q280 HydrophobicContact CG2-CB 4.3Å; D227-Q280 PolarHBondContact OD1-N 2.68Å; K229-Q280 HydrophobicContact CB-CB 4.05Å; K229-Q280 HydrophobicContact CB-CG 4.43Å; K229-Q280 HydrophobicContact CD-CB 4.16Å; K229-Q280 VanDerWaalsContact CD-OE1 3.25Å; Y230-Q280 PolarHBondContact O-NE2 3.36Å; L231-Q280 HydrophobicContact CD2-CG 3.68Å; L231-Q280 HydrophobicContact CG-CG 4.15Å; Q280-D282 PolarHBondContact O-N 2.83Å; Q280-W283 PolarHBondContact O-N 2.62Å; Q280-L284 HydrophobicContact CG-CD1 4.33Å; Q280-L284 VanDerWaalsContact O-CG 3.28Å; Q280-L284 WeakPolarHBondContact O-CG 3.22Å; Q280-L284 PolarHBondContact O-N 3.42Å |
| 281 | A | 97.7 | Very high | 98 | Very high | 55 Ų | 55 | 57.6 Ų | 57.6 | 46% | 0.455 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -64.3 | -40.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | T279 L284 M285 | T279-A281 PolarHBondContact O-N 3.27Å; A281-L284 PolarHBondContact O-N 3.02Å; A281-M285 PolarHBondContact O-N 3.29Å |
| 282 | D | 98.5 | Very high | 97.9 | Very high | 60 Ų | 60 | 57.6 Ų | 57.6 | 32% | 0.321 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -63.5 | -42.3 | 176.9 | -61.1 | -44 | 0 | 0 | 0 | 111.8 | K278 T279 Q280 M285 I286 | K278-D282 HydrophobicContact CB-CB 3.85Å; K278-D282 HydrophobicContact CD-CB 4.28Å; T279-D282 WeakPolarHBondContact CB-OD2 3.46Å; T279-D282 PolarHBondContact N-OD2 3.2Å; T279-D282 PolarHBondContact O-N 3.27Å; T279-D282 PolarHBondContact OG1-N 2.98Å; T279-D282 PolarHBondContact OG1-OD2 2.94Å; Q280-D282 PolarHBondContact O-N 2.83Å; D282-M285 HydrophobicContact CB-CE 4.4Å; D282-M285 PolarHBondContact O-N 3.42Å; D282-M285 WeakPolarHBondContact OD1-CE 3.25Å; D282-I286 WeakPolarHBondContact O-CG1 3.39Å; D282-I286 PolarHBondContact O-N 2.86Å |
| 283 | W | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -64.8 | -40.2 | 175.1 | -73.5 | 123.8 | 0 | 0 | 0 | 112.6 | L231 L248 R274 F275 K278 T279 Q280 M285 I286 F287 | L231-W283 HydrophobicContact CD1-CB 3.4Å; L231-W283 HydrophobicContact CD1-CG 3.66Å; L248-W283 HydrophobicContact CD2-CH2 4.11Å; L248-W283 HydrophobicContact CD2-CZ3 4.09Å; R274-W283 WeakPolarHBondContact O-CZ2 3.27Å; F275-W283 HydrophobicContact CD1-CD2 4.19Å; F275-W283 HydrophobicContact CD1-CG 4.27Å; F275-W283 PolarHBondContact O-NE1 2.96Å; K278-W283 HydrophobicContact CB-CD2 4.28Å; K278-W283 HydrophobicContact CB-CG 4.5Å; K278-W283 HydrophobicContact CB-CZ2 3.88Å; K278-W283 HydrophobicContact CD-CD2 4.2Å; K278-W283 HydrophobicContact CD-CE3 4.19Å; K278-W283 HydrophobicContact CD-CH2 3.68Å; K278-W283 HydrophobicContact CD-CZ2 3.65Å; K278-W283 HydrophobicContact CD-CZ3 3.96Å; K278-W283 HydrophobicContact CG-CH2 4.13Å; K278-W283 HydrophobicContact CG-CZ2 3.62Å; K278-W283 PolarHBondContact O-NE1 3.26Å; T279-W283 VanDerWaalsContact O-CD1 3.23Å; T279-W283 PolarHBondContact O-N 2.87Å; Q280-W283 PolarHBondContact O-N 2.62Å; W283-M285 VanDerWaalsContact C-N 3.29Å; W283-M285 PolarHBondContact O-N 3.02Å; W283-I286 HydrophobicContact CE3-CD1 3.65Å; W283-I286 HydrophobicContact CZ3-CD1 3.71Å; W283-I286 WeakPolarHBondContact O-CB 3.47Å; W283-I286 PolarHBondContact O-N 3.04Å; W283-I286 VanDerWaalsContact O-N 3.08Å; W283-F287 HydrophobicContact CB-CD2 4.29Å; W283-F287 HydrophobicContact CB-CE2 4.43Å; W283-F287 HydrophobicContact CD2-CE2 4.26Å; W283-F287 HydrophobicContact CE3-CD2 4.32Å; W283-F287 AromaticContact CE3-CE2 3.57Å; W283-F287 HydrophobicContact CE3-CE2 3.57Å; W283-F287 HydrophobicContact CE3-CZ 4.26Å; W283-F287 HydrophobicContact CZ3-CE2 4.27Å; W283-F287 WeakPolarHBondContact O-CD2 3.17Å; W283-F287 PolarHBondContact O-N 3.33Å |
| 284 | L | 97.8 | Very high | 97.9 | Very high | 50 Ų | 50 | 52.5 Ų | 52.5 | 26% | 0.262 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -61.5 | -39.7 | 175.2 | -67.4 | 175.6 | 0 | 0 | 0 | 111 | L231 Q280 A281 I286 F287 D288 P296 | L231-L284 HydrophobicContact CD2-CD2 3.87Å; L231-L284 HydrophobicContact CD2-CG 4.3Å; Q280-L284 HydrophobicContact CG-CD1 4.33Å; Q280-L284 VanDerWaalsContact O-CG 3.28Å; Q280-L284 WeakPolarHBondContact O-CG 3.22Å; Q280-L284 PolarHBondContact O-N 3.42Å; A281-L284 PolarHBondContact O-N 3.02Å; L284-I286 PolarHBondContact O-N 3.32Å; L284-F287 PolarHBondContact O-N 3.24Å; L284-D288 WeakPolarHBondContact O-CA 3.29Å; L284-D288 WeakPolarHBondContact O-CB 3.48Å; L284-D288 PolarHBondContact O-N 3.23Å; L284-P296 HydrophobicContact CD1-CB 4.16Å; L284-P296 HydrophobicContact CD1-CG 4.23Å; L284-P296 HydrophobicContact CD2-CB 4.32Å; L284-P296 HydrophobicContact CD2-CG 4.2Å |
| 285 | M | 97.8 | Very high | 97.9 | Very high | 141 Ų | 141 | 53.3 Ų | 53.3 | 70% | 0.695 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -61.8 | -31.7 | 173.9 | -69.2 | -172.1 | -68.2 | 0 | 0 | 113.3 | A281 D282 W283 | A281-M285 PolarHBondContact O-N 3.29Å; D282-M285 HydrophobicContact CB-CE 4.4Å; D282-M285 PolarHBondContact O-N 3.42Å; D282-M285 WeakPolarHBondContact OD1-CE 3.25Å; W283-M285 VanDerWaalsContact C-N 3.29Å; W283-M285 PolarHBondContact O-N 3.02Å |
| 286 | I | 98.4 | Very high | 97.9 | Very high | 60 Ų | 60 | 54.3 Ų | 54.3 | 31% | 0.308 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -75.7 | -41.5 | 178.8 | -68.8 | 164.5 | 0 | 0 | 0 | 111.3 | K278 D282 W283 L284 | K278-I286 HydrophobicContact CD-CD1 3.82Å; D282-I286 WeakPolarHBondContact O-CG1 3.39Å; D282-I286 PolarHBondContact O-N 2.86Å; W283-I286 HydrophobicContact CE3-CD1 3.65Å; W283-I286 HydrophobicContact CZ3-CD1 3.71Å; W283-I286 WeakPolarHBondContact O-CB 3.47Å; W283-I286 PolarHBondContact O-N 3.04Å; W283-I286 VanDerWaalsContact O-N 3.08Å; L284-I286 PolarHBondContact O-N 3.32Å |
| 287 | F | 98.3 | Very high | 97.8 | Very high | 8 Ų | 8 | 55.7 Ų | 55.7 | 4% | 0.035 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -96.6 | -14.3 | -172.6 | -66 | -61.9 | 0 | 0 | 0 | 114.3 | L244 L248 F275 W283 L284 G289 T290 A292 V294 | L244-F287 HydrophobicContact CD1-CE1 4.1Å; L244-F287 HydrophobicContact CD1-CZ 3.94Å; L248-F287 HydrophobicContact CD2-CZ 4.14Å; L248-F287 HydrophobicContact CG-CZ 4.23Å; F275-F287 AromaticContact CE1-CE2 3.92Å; F275-F287 HydrophobicContact CE1-CE2 3.92Å; F275-F287 HydrophobicContact CE1-CZ 4.5Å; F275-F287 HydrophobicContact CZ-CE2 4.43Å; W283-F287 HydrophobicContact CB-CD2 4.29Å; W283-F287 HydrophobicContact CB-CE2 4.43Å; W283-F287 HydrophobicContact CD2-CE2 4.26Å; W283-F287 HydrophobicContact CE3-CD2 4.32Å; W283-F287 AromaticContact CE3-CE2 3.57Å; W283-F287 HydrophobicContact CE3-CE2 3.57Å; W283-F287 HydrophobicContact CE3-CZ 4.26Å; W283-F287 HydrophobicContact CZ3-CE2 4.27Å; W283-F287 WeakPolarHBondContact O-CD2 3.17Å; W283-F287 PolarHBondContact O-N 3.33Å; L284-F287 PolarHBondContact O-N 3.24Å; F287-G289 PolarHBondContact O-N 3.32Å; F287-T290 WeakPolarHBondContact O-CB 3.16Å; F287-T290 PolarHBondContact O-N 3.17Å; F287-T290 PolarHBondContact O-OG1 3.25Å; F287-A292 HydrophobicContact CD1-CB 3.46Å; F287-A292 VanDerWaalsContact CD1-CB 3.46Å; F287-A292 HydrophobicContact CE1-CB 3.89Å; F287-A292 HydrophobicContact CG-CB 4.4Å; F287-V294 HydrophobicContact CB-CB 3.99Å; F287-V294 HydrophobicContact CB-CG2 4.48Å; F287-V294 HydrophobicContact CD1-CB 4.44Å; F287-V294 HydrophobicContact CD1-CG2 4.02Å; F287-V294 HydrophobicContact CD2-CB 3.84Å; F287-V294 HydrophobicContact CD2-CG1 3.74Å; F287-V294 HydrophobicContact CD2-CG2 3.92Å; F287-V294 HydrophobicContact CE1-CG2 4.17Å; F287-V294 HydrophobicContact CE2-CB 4.44Å; F287-V294 HydrophobicContact CE2-CG1 4.22Å; F287-V294 HydrophobicContact CE2-CG2 4.09Å; F287-V294 HydrophobicContact CG-CB 3.84Å; F287-V294 HydrophobicContact CG-CG1 4.26Å; F287-V294 HydrophobicContact CG-CG2 3.89Å; F287-V294 HydrophobicContact CZ-CG2 4.21Å |
| 288 | D | 95.2 | Very high | 97.7 | Very high | 141 Ų | 141 | 55.7 Ų | 55.7 | 75% | 0.754 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | 135.8 | 178.7 | -171.6 | 34.7 | 0 | 0 | 0 | 111.2 | L284 T290 | L284-D288 WeakPolarHBondContact O-CA 3.29Å; L284-D288 WeakPolarHBondContact O-CB 3.48Å; L284-D288 PolarHBondContact O-N 3.23Å; D288-T290 PolarHBondContact O-N 3.01Å |
| 289 | G | 94.5 | Very high | 97.6 | Very high | 82 Ų | 82 | 55.2 Ų | 55.2 | 85% | 0.845 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69 | 8 | -173.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | F287 | F287-G289 PolarHBondContact O-N 3.32Š|
| 290 | T | 97.6 | Very high | 97.3 | Very high | 54 Ų | 54 | 60.4 Ų | 60.4 | 33% | 0.331 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -104.7 | 157.4 | 174.2 | 77.4 | 0 | 0 | 0 | 0 | 111.9 | F287 D288 A292 | F287-T290 WeakPolarHBondContact O-CB 3.16Å; F287-T290 PolarHBondContact O-N 3.17Å; F287-T290 PolarHBondContact O-OG1 3.25Å; D288-T290 PolarHBondContact O-N 3.01Å; T290-A292 PolarHBondContact O-N 2.8Å; T290-A292 WeakPolarHBondContact OG1-CB 3.32Å; T290-A292 PolarHBondContact OG1-N 3.35Å |
| 291 | D | 97.1 | Very high | 97.1 | Very high | 113 Ų | 113 | 66.9 Ų | 66.9 | 60% | 0.604 | 40% | 0.396 | S | S | * | . | S | Bend | trans | -85.9 | 24.3 | 172.8 | -61.4 | -43.2 | 0 | 0 | 0 | 112.6 | F240 C293 | F240-D291 WeakPolarHBondContact CA-O 3.28Å; F240-D291 WeakPolarHBondContact CB-O 3.39Å; F240-D291 HydrophobicContact CD1-CB 3.64Å; F240-D291 WeakPolarHBondContact CD1-O 3.5Å; F240-D291 HydrophobicContact CE1-CB 3.79Å; F240-D291 VanDerWaalsContact CG-O 3.3Å; F240-D291 WeakPolarHBondContact CG-O 3.31Å; D291-C293 PolarHBondContact O-N 2.96Å |
| 292 | A | 97.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 39% | 0.39 | C | S | . | . | S | Bend | trans | -72.3 | -3.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | A235 Q243 L244 F287 T290 V294 | A235-A292 WeakPolarHBondContact CB-O 3.16Å; Q243-A292 HydrophobicContact CB-CB 3.96Å; L244-A292 HydrophobicContact CB-CB 4.38Å; F287-A292 HydrophobicContact CD1-CB 3.46Å; F287-A292 VanDerWaalsContact CD1-CB 3.46Å; F287-A292 HydrophobicContact CE1-CB 3.89Å; F287-A292 HydrophobicContact CG-CB 4.4Å; T290-A292 PolarHBondContact O-N 2.8Å; T290-A292 WeakPolarHBondContact OG1-CB 3.32Å; T290-A292 PolarHBondContact OG1-N 3.35Å; A292-V294 VanDerWaalsContact C-N 3.28Å; A292-V294 HydrophobicContact CB-CG2 4.13Å; A292-V294 WeakPolarHBondContact O-CG2 3.49Å; A292-V294 PolarHBondContact O-N 3.05Å |
| 293 | C | 98.1 | Very high | 96.8 | Very high | 48 Ų | 48 | 66 Ų | 66 | 32% | 0.324 | 38% | 0.382 | S | S | . | . | trans | 53.7 | 40.9 | -179.5 | -62.3 | 0 | 0 | 0 | 0 | 113.6 | V233 G234 A235 D291 | V233-C293 WeakPolarHBondContact CA-O 3.3Å; G234-C293 VanDerWaalsContact C-CB 3.46Å; G234-C293 PolarHBondContact N-O 2.76Å; G234-C293 VanDerWaalsContact O-CB 3.3Å; G234-C293 WeakPolarHBondContact O-CB 3.34Å; A235-C293 HydrophobicContact CB-CB 4.36Å; D291-C293 PolarHBondContact O-N 2.96Å | ||
| 294 | V | 98.6 | Very high | 96.6 | Very high | 17 Ų | 17 | 67.4 Ų | 67.4 | 10% | 0.103 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 126 | 176.9 | -174.5 | 0 | 0 | 0 | 0 | 109.9 | L231 A232 V233 L244 F275 F287 A292 | L231-V294 HydrophobicContact CB-CG1 4.08Å; L231-V294 HydrophobicContact CD1-CG1 4.1Å; L231-V294 HydrophobicContact CD2-CG1 4.16Å; L231-V294 HydrophobicContact CG-CG1 4.34Å; A232-V294 WeakPolarHBondContact O-CA 3.41Å; V233-V294 HydrophobicContact CG2-CG2 4.26Å; L244-V294 HydrophobicContact CD1-CG2 3.76Å; F275-V294 HydrophobicContact CE1-CG1 4.38Å; F287-V294 HydrophobicContact CB-CB 3.99Å; F287-V294 HydrophobicContact CB-CG2 4.48Å; F287-V294 HydrophobicContact CD1-CB 4.44Å; F287-V294 HydrophobicContact CD1-CG2 4.02Å; F287-V294 HydrophobicContact CD2-CB 3.84Å; F287-V294 HydrophobicContact CD2-CG1 3.74Å; F287-V294 HydrophobicContact CD2-CG2 3.92Å; F287-V294 HydrophobicContact CE1-CG2 4.17Å; F287-V294 HydrophobicContact CE2-CB 4.44Å; F287-V294 HydrophobicContact CE2-CG1 4.22Å; F287-V294 HydrophobicContact CE2-CG2 4.09Å; F287-V294 HydrophobicContact CG-CB 3.84Å; F287-V294 HydrophobicContact CG-CG1 4.26Å; F287-V294 HydrophobicContact CG-CG2 3.89Å; F287-V294 HydrophobicContact CZ-CG2 4.21Å; A292-V294 VanDerWaalsContact C-N 3.28Å; A292-V294 HydrophobicContact CB-CG2 4.13Å; A292-V294 WeakPolarHBondContact O-CG2 3.49Å; A292-V294 PolarHBondContact O-N 3.05Å |
| 295 | T | 98.2 | Very high | 96.5 | Very high | 79 Ų | 79 | 68.7 Ų | 68.7 | 49% | 0.485 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 155.9 | -178.2 | 56.9 | 0 | 0 | 0 | 0 | 111.6 | L231 A232 | L231-T295 CarbonylContact C-O 3.59Å; L231-T295 WeakPolarHBondContact CA-O 3.4Å; A232-T295 PolarHBondContact N-O 3.28Å; A232-T295 PolarHBondContact O-N 3.09Å |
| 296 | P | 98.1 | Very high | 96.4 | Very high | 21 Ų | 21 | 64.7 Ų | 64.7 | 14% | 0.136 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 141.6 | 175.5 | 30 | -30.7 | 0 | 0 | 0 | 111.7 | L284 L298 | L284-P296 HydrophobicContact CD1-CB 4.16Å; L284-P296 HydrophobicContact CD1-CG 4.23Å; L284-P296 HydrophobicContact CD2-CB 4.32Å; L284-P296 HydrophobicContact CD2-CG 4.2Å; P296-L298 HydrophobicContact CB-CD2 4.08Å; P296-L298 HydrophobicContact CB-CG 4.45Å; P296-L298 HydrophobicContact CG-CD2 3.96Å; P296-L298 HydrophobicContact CG-CG 4.2Å; P296-L298 PolarHBondContact O-N 3.08Å |
| 297 | V | 98.2 | Very high | 96.3 | Very high | 70 Ų | 70 | 65.6 Ų | 65.6 | 42% | 0.424 | 39% | 0.394 | S | S | . | . | trans | -80.6 | 104.2 | 163 | -177.6 | 0 | 0 | 0 | 0 | 107.7 | T222 Y230 A232 | T222-V297 HydrophobicContact CG2-CG2 4.18Å; Y230-V297 PolarHBondContact O-N 3.41Å; A232-V297 HydrophobicContact CB-CG2 4.15Å | ||
| 298 | L | 97 | Very high | 96.2 | Very high | 57 Ų | 57 | 70.8 Ų | 70.8 | 30% | 0.298 | 42% | 0.418 | S | S | . | . | trans | -86.5 | 141.5 | -177 | -61.1 | 171.4 | 0 | 0 | 0 | 111.6 | P296 Q302 V303 H306 | P296-L298 HydrophobicContact CB-CD2 4.08Å; P296-L298 HydrophobicContact CB-CG 4.45Å; P296-L298 HydrophobicContact CG-CD2 3.96Å; P296-L298 HydrophobicContact CG-CG 4.2Å; P296-L298 PolarHBondContact O-N 3.08Å; L298-Q302 HydrophobicContact CB-CB 4.44Å; L298-Q302 HydrophobicContact CD2-CB 4.23Å; L298-V303 HydrophobicContact CB-CB 4.49Å; L298-V303 HydrophobicContact CB-CG2 4.47Å; L298-V303 HydrophobicContact CD1-CG2 4.23Å; L298-H306 HydrophobicContact CD1-CB 3.75Å | ||
| 299 | S | 95.2 | Very high | 96.3 | Very high | 51 Ų | 51 | 65.3 Ų | 65.3 | 36% | 0.357 | 39% | 0.389 | S | S | . | . | trans | -78.2 | 167.4 | 165.3 | 73.1 | 0 | 0 | 0 | 0 | 111.6 | D301 Q302 V303 | S299-D301 VanDerWaalsContact C-N 3.27Å; S299-D301 PolarHBondContact O-N 2.97Å; S299-Q302 VanDerWaalsContact N-OE1 3.08Å; S299-Q302 PolarHBondContact O-N 3.08Å; S299-Q302 VanDerWaalsContact O-N 3.09Å; S299-Q302 VanDerWaalsContact OG-CD 3.32Å; S299-Q302 VanDerWaalsContact OG-CG 3.29Å; S299-Q302 WeakPolarHBondContact OG-CG 3.45Å; S299-Q302 PolarHBondContact OG-N 3.46Å; S299-Q302 PolarHBondContact OG-OE1 3.35Å; S299-V303 PolarHBondContact O-N 2.69Å; S299-V303 VanDerWaalsContact O-N 3.08Å | ||
| 300 | L | 93.9 | Very high | 96.4 | Very high | 148 Ų | 148 | 69.9 Ų | 69.9 | 78% | 0.775 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -56.3 | -41.7 | 174.5 | -66.2 | 178.3 | 0 | 0 | 0 | 111.8 | Q302 V303 | L300-Q302 PolarHBondContact O-N 3.22Å; L300-V303 WeakPolarHBondContact O-CG1 3.2Å; L300-V303 PolarHBondContact O-N 3.05Å |
| 301 | D | 93.3 | Very high | 96.4 | Very high | 150 Ų | 150 | 75.7 Ų | 75.7 | 80% | 0.802 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -69.6 | -16.4 | 179.8 | -53.4 | -51.4 | 0 | 0 | 0 | 113.9 | S299 | S299-D301 VanDerWaalsContact C-N 3.27Å; S299-D301 PolarHBondContact O-N 2.97Å |
| 302 | Q | 94.1 | Very high | 96.3 | Very high | 71 Ų | 71 | 76.5 Ų | 76.5 | 33% | 0.332 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -100.1 | -25.3 | -177.3 | -69.3 | 168.5 | -19.5 | 0 | 0 | 112.4 | L298 S299 L300 S304 S305 H306 | L298-Q302 HydrophobicContact CB-CB 4.44Å; L298-Q302 HydrophobicContact CD2-CB 4.23Å; S299-Q302 VanDerWaalsContact N-OE1 3.08Å; S299-Q302 PolarHBondContact O-N 3.08Å; S299-Q302 VanDerWaalsContact O-N 3.09Å; S299-Q302 VanDerWaalsContact OG-CD 3.32Å; S299-Q302 VanDerWaalsContact OG-CG 3.29Å; S299-Q302 WeakPolarHBondContact OG-CG 3.45Å; S299-Q302 PolarHBondContact OG-N 3.46Å; S299-Q302 PolarHBondContact OG-OE1 3.35Å; L300-Q302 PolarHBondContact O-N 3.22Å; Q302-S304 PolarHBondContact O-N 3.13Å; Q302-S305 PolarHBondContact O-N 3.38Å; Q302-S305 VanDerWaalsContact O-N 3.1Å; Q302-S305 PolarHBondContact O-OG 2.63Å; Q302-H306 PolarHBondContact O-N 3.06Å |
| 303 | V | 95.4 | Very high | 96.2 | Very high | 25 Ų | 25 | 77.9 Ų | 77.9 | 15% | 0.152 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -62.5 | -40.6 | -160.4 | 77.2 | 0 | 0 | 0 | 0 | 113.2 | L298 S299 L300 N309 F315 | L298-V303 HydrophobicContact CB-CB 4.49Å; L298-V303 HydrophobicContact CB-CG2 4.47Å; L298-V303 HydrophobicContact CD1-CG2 4.23Å; S299-V303 PolarHBondContact O-N 2.69Å; S299-V303 VanDerWaalsContact O-N 3.08Å; L300-V303 WeakPolarHBondContact O-CG1 3.2Å; L300-V303 PolarHBondContact O-N 3.05Å; V303-N309 VanDerWaalsContact O-CB 3.24Å; V303-N309 WeakPolarHBondContact O-CB 3.49Å; V303-N309 PolarHBondContact O-ND2 3.19Å; V303-F315 HydrophobicContact CB-CE2 4.23Å; V303-F315 HydrophobicContact CB-CZ 4.04Å; V303-F315 HydrophobicContact CG1-CD1 3.93Å; V303-F315 HydrophobicContact CG1-CD2 4.17Å; V303-F315 HydrophobicContact CG1-CE1 3.5Å; V303-F315 VanDerWaalsContact CG1-CE1 3.5Å; V303-F315 HydrophobicContact CG1-CE2 3.79Å; V303-F315 HydrophobicContact CG1-CG 4.26Å; V303-F315 HydrophobicContact CG1-CZ 3.44Å; V303-F315 VanDerWaalsContact CG1-CZ 3.44Å; V303-F315 HydrophobicContact CG2-CE1 4.27Å; V303-F315 HydrophobicContact CG2-CE2 3.57Å; V303-F315 HydrophobicContact CG2-CZ 3.37Å |
| 304 | S | 95.3 | Very high | 96.1 | Very high | 30 Ų | 30 | 76.4 Ų | 76.4 | 21% | 0.21 | 40% | 0.403 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | -27.2 | 178.7 | 52.4 | 0 | 0 | 0 | 0 | 114.2 | Q302 H306 E323 | Q302-S304 PolarHBondContact O-N 3.13Å; S304-H306 VanDerWaalsContact C-N 3.28Å; S304-H306 PolarHBondContact O-N 3.29Å; S304-E323 WeakPolarHBondContact CB-OE1 3.36Å; S304-E323 WeakPolarHBondContact CB-OE2 3.3Å; S304-E323 PolarHBondContact OG-OE1 3.48Å; S304-E323 PolarHBondContact OG-OE2 3.41Å |
| 305 | S | 95.1 | Very high | 96 | Very high | 77 Ų | 77 | 78.3 Ų | 78.3 | 54% | 0.538 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | -19.9 | 178.5 | 75 | 0 | 0 | 0 | 0 | 112.8 | Q302 | Q302-S305 PolarHBondContact O-N 3.38Å; Q302-S305 VanDerWaalsContact O-N 3.1Å; Q302-S305 PolarHBondContact O-OG 2.63Å |
| 306 | H | 96.4 | Very high | 95.9 | Very high | 56 Ų | 56 | 77.2 Ų | 77.2 | 26% | 0.259 | 40% | 0.4 | S | S | . | . | S | Bend | trans | -61 | 131.9 | 179.8 | -172.7 | -88.9 | 0 | 0 | 0 | 111.2 | L298 Q302 S304 H308 N309 R310 | L298-H306 HydrophobicContact CD1-CB 3.75Å; Q302-H306 PolarHBondContact O-N 3.06Å; S304-H306 VanDerWaalsContact C-N 3.28Å; S304-H306 PolarHBondContact O-N 3.29Å; H306-H308 VanDerWaalsContact C-N 3.34Å; H306-H308 PolarHBondContact ND1-N 2.86Å; H306-H308 PolarHBondContact O-N 3.19Å; H306-N309 HydrophobicContact CB-CB 4.42Å; H306-N309 PolarHBondContact O-N 3.06Å; H306-R310 PolarHBondContact O-N 2.97Å |
| 307 | P | 95.5 | Very high | 95.7 | Very high | 79 Ų | 79 | 82.3 Ų | 82.3 | 51% | 0.513 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -50.8 | -46.7 | -173.1 | -30.3 | 35.7 | 0 | 0 | 0 | 114.4 | N309 R310 E311 | P307-N309 PolarHBondContact O-N 3.43Å; P307-R310 PolarHBondContact O-N 3.14Å; P307-E311 WeakPolarHBondContact O-CB 3.19Å; P307-E311 PolarHBondContact O-N 3.45Å |
| 308 | H | 95.9 | Very high | 95.4 | Very high | 117 Ų | 117 | 80.4 Ų | 80.4 | 54% | 0.542 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -59.1 | -44.7 | 177.5 | 178 | 78.5 | 0 | 0 | 0 | 113 | H306 R312 | H306-H308 VanDerWaalsContact C-N 3.34Å; H306-H308 PolarHBondContact ND1-N 2.86Å; H306-H308 PolarHBondContact O-N 3.19Å; H308-R312 VanDerWaalsContact O-CB 3.28Å; H308-R312 WeakPolarHBondContact O-CB 3.3Å; H308-R312 PolarHBondContact O-N 2.95Å |
| 309 | N | 97.4 | Very high | 95.2 | Very high | 26 Ų | 26 | 82 Ų | 82 | 14% | 0.139 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -72.3 | -35.5 | -177.1 | -73.1 | -29.1 | 0 | 0 | 0 | 111.8 | V303 H306 P307 G313 S314 F315 | V303-N309 VanDerWaalsContact O-CB 3.24Å; V303-N309 WeakPolarHBondContact O-CB 3.49Å; V303-N309 PolarHBondContact O-ND2 3.19Å; H306-N309 HydrophobicContact CB-CB 4.42Å; H306-N309 PolarHBondContact O-N 3.06Å; P307-N309 PolarHBondContact O-N 3.43Å; N309-G313 PolarHBondContact O-N 3.19Å; N309-S314 PolarHBondContact O-N 3.21Å; N309-F315 HydrophobicContact CB-CD2 4.11Å; N309-F315 HydrophobicContact CB-CE2 4.04Å |
| 310 | R | 96.9 | Very high | 95 | Very high | 179 Ų | 179 | 83.8 Ų | 83.8 | 68% | 0.675 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -65.3 | -48.5 | 173.8 | -175.2 | 178.1 | 64.9 | -170.4 | -1.8 | 111.6 | H306 P307 R312 G313 | H306-R310 PolarHBondContact O-N 2.97Å; P307-R310 PolarHBondContact O-N 3.14Å; R310-R312 VanDerWaalsContact C-N 3.31Å; R310-R312 PolarHBondContact O-N 3.41Å; R310-G313 PolarHBondContact O-N 3.39Å |
| 311 | E | 96.9 | Very high | 94.9 | Very high | 175 Ų | 175 | 78.8 Ų | 78.8 | 82% | 0.818 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -61.4 | -40.8 | 178.8 | -175.8 | 176.7 | 177.7 | 0 | 0 | 111.7 | P307 G313 | P307-E311 WeakPolarHBondContact O-CB 3.19Å; P307-E311 PolarHBondContact O-N 3.45Å; E311-G313 VanDerWaalsContact C-N 3.3Å; E311-G313 PolarHBondContact O-N 3.2Å |
| 312 | R | 95.8 | Very high | 94.7 | Very high | 131 Ų | 131 | 78.1 Ų | 78.1 | 49% | 0.494 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -76.8 | -15.1 | 178.4 | -164.6 | 175.2 | 177.5 | -70.8 | -3.3 | 113.7 | H308 R310 S314 | H308-R312 VanDerWaalsContact O-CB 3.28Å; H308-R312 WeakPolarHBondContact O-CB 3.3Å; H308-R312 PolarHBondContact O-N 2.95Å; R310-R312 VanDerWaalsContact C-N 3.31Å; R310-R312 PolarHBondContact O-N 3.41Å; R312-S314 VanDerWaalsContact C-N 3.3Å; R312-S314 PolarHBondContact NH1-OG 3.45Å; R312-S314 PolarHBondContact O-N 2.92Å |
| 313 | G | 95.3 | Very high | 94.7 | Very high | 28 Ų | 28 | 77.9 Ų | 77.9 | 29% | 0.289 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.6 | 44 | -171 | 0 | 0 | 0 | 0 | 0 | 111.7 | N309 R310 E311 F315 R326 | N309-G313 PolarHBondContact O-N 3.19Å; R310-G313 PolarHBondContact O-N 3.39Å; E311-G313 VanDerWaalsContact C-N 3.3Å; E311-G313 PolarHBondContact O-N 3.2Å; G313-F315 PolarHBondContact O-N 3.21Å; G313-R326 VanDerWaalsContact O-CD 3.25Å; G313-R326 WeakPolarHBondContact O-CD 3.42Å |
| 314 | S | 96.6 | Very high | 94.6 | Very high | 18 Ų | 18 | 78 Ų | 78 | 13% | 0.126 | 41% | 0.409 | C | S | . | . | trans | -71.2 | -19.5 | -176.1 | -68.1 | 0 | 0 | 0 | 0 | 113.3 | N309 R312 R326 | N309-S314 PolarHBondContact O-N 3.21Å; R312-S314 VanDerWaalsContact C-N 3.3Å; R312-S314 PolarHBondContact NH1-OG 3.45Å; R312-S314 PolarHBondContact O-N 2.92Å; S314-R326 WeakPolarHBondContact O-CB 3.17Å; S314-R326 PolarHBondContact O-N 3.26Å | ||
| 315 | F | 96.6 | Very high | 94.6 | Very high | 57 Ų | 57 | 80.5 Ų | 80.5 | 25% | 0.25 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 149.9 | 179 | -60.8 | -91.2 | 0 | 0 | 0 | 109.6 | V303 N309 G313 E323 F324 P325 | V303-F315 HydrophobicContact CB-CE2 4.23Å; V303-F315 HydrophobicContact CB-CZ 4.04Å; V303-F315 HydrophobicContact CG1-CD1 3.93Å; V303-F315 HydrophobicContact CG1-CD2 4.17Å; V303-F315 HydrophobicContact CG1-CE1 3.5Å; V303-F315 VanDerWaalsContact CG1-CE1 3.5Å; V303-F315 HydrophobicContact CG1-CE2 3.79Å; V303-F315 HydrophobicContact CG1-CG 4.26Å; V303-F315 HydrophobicContact CG1-CZ 3.44Å; V303-F315 VanDerWaalsContact CG1-CZ 3.44Å; V303-F315 HydrophobicContact CG2-CE1 4.27Å; V303-F315 HydrophobicContact CG2-CE2 3.57Å; V303-F315 HydrophobicContact CG2-CZ 3.37Å; N309-F315 HydrophobicContact CB-CD2 4.11Å; N309-F315 HydrophobicContact CB-CE2 4.04Å; G313-F315 PolarHBondContact O-N 3.21Å; F315-E323 HydrophobicContact CB-CG 4.04Å; F315-F324 WeakPolarHBondContact CA-O 3.48Å; F315-P325 HydrophobicContact CD1-CB 4.38Å; F315-P325 HydrophobicContact CE1-CB 4.26Å |
| 316 | M | 94.3 | Very high | 94.6 | Very high | 55 Ų | 55 | 80.9 Ų | 80.9 | 27% | 0.271 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 163.1 | -178.4 | -61.3 | -178.4 | 71.2 | 0 | 0 | 109.3 | E323 F324 R326 P338 L340 | M316-E323 CarbonylContact O-C 3.59Å; M316-E323 WeakPolarHBondContact O-CA 3.46Å; M316-F324 HydrophobicContact CB-CD2 4.3Å; M316-F324 HydrophobicContact CB-CE1 4.18Å; M316-F324 HydrophobicContact CB-CE2 3.75Å; M316-F324 HydrophobicContact CB-CZ 3.68Å; M316-F324 HydrophobicContact CG-CE2 4.44Å; M316-F324 PolarHBondContact N-O 3.46Å; M316-F324 PolarHBondContact O-N 2.89Å; M316-F324 HydrophobicContact SD-CE2 4.31Å; M316-R326 HydrophobicContact CG-CB 4.07Å; M316-R326 HydrophobicContact CG-CG 4.41Å; M316-R326 HydrophobicContact SD-CB 4.06Å; M316-R326 HydrophobicContact SD-CG 3.83Å; M316-P338 HydrophobicContact CE-CG 4.22Å; M316-P338 HydrophobicContact SD-CG 3.88Å; M316-L340 HydrophobicContact CE-CD2 4.17Å |
| 317 | K | 94.1 | Very high | 94.6 | Very high | 128 Ų | 128 | 78.8 Ų | 78.8 | 56% | 0.557 | 41% | 0.406 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 141.2 | 172 | -63.6 | -173.9 | -179.3 | -167.1 | 0 | 110.1 | E322 E323 | K317-E322 CarbonylContact C-O 3.59Å; K317-E322 VanDerWaalsContact CA-O 3.27Å; K317-E322 WeakPolarHBondContact CA-O 3.33Å; K317-E323 HydrophobicContact CG-CB 4.49Å |
| 318 | D | 92.9 | Very high | 94.5 | Very high | 31 Ų | 31 | 78.9 Ų | 78.9 | 17% | 0.166 | 41% | 0.413 | C | S | . | . | trans | -77.7 | -175.8 | 171.7 | 78.6 | -7.9 | 0 | 0 | 0 | 110.9 | S320 G321 E322 F324 | D318-S320 VanDerWaalsContact CG-OG 3.23Å; D318-S320 PolarHBondContact O-N 3.31Å; D318-S320 WeakPolarHBondContact OD1-CA 3.41Å; D318-S320 WeakPolarHBondContact OD1-CB 3.43Å; D318-S320 PolarHBondContact OD1-N 2.89Å; D318-S320 PolarHBondContact OD1-OG 2.94Å; D318-S320 PolarHBondContact OD2-OG 3.41Å; D318-G321 PolarHBondContact O-N 3.18Å; D318-G321 PolarHBondContact OD1-N 2.89Å; D318-E322 PolarHBondContact N-O 2.79Å; D318-E322 PolarHBondContact OD1-N 3.49Å; D318-F324 HydrophobicContact CB-CD1 4.25Å; D318-F324 HydrophobicContact CB-CE1 3.9Å | ||
| 319 | S | 92.4 | Very high | 94.5 | Very high | 90 Ų | 90 | 77.6 Ų | 77.6 | 63% | 0.629 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | -18.9 | 176.8 | 54 | 0 | 0 | 0 | 0 | 114.3 | L340 | S319-L340 VanDerWaalsContact CB-O 3.29Å; S319-L340 WeakPolarHBondContact CB-O 3.19Å; S319-L340 PolarHBondContact N-O 2.85Å; S319-L340 PolarHBondContact OG-O 3.17Å |
| 320 | S | 90.5 | Very high | 94.4 | Very high | 89 Ų | 89 | 79.4 Ų | 79.4 | 62% | 0.622 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.7 | -12.4 | 174.2 | 81.6 | 0 | 0 | 0 | 0 | 112.8 | D318 | D318-S320 VanDerWaalsContact CG-OG 3.23Å; D318-S320 PolarHBondContact O-N 3.31Å; D318-S320 WeakPolarHBondContact OD1-CA 3.41Å; D318-S320 WeakPolarHBondContact OD1-CB 3.43Å; D318-S320 PolarHBondContact OD1-N 2.89Å; D318-S320 PolarHBondContact OD1-OG 2.94Å; D318-S320 PolarHBondContact OD2-OG 3.41Å |
| 321 | G | 91.1 | Very high | 94.4 | Very high | 42 Ų | 42 | 73.7 Ų | 73.7 | 43% | 0.433 | 41% | 0.41 | S | S | . | . | trans | 90.2 | 4.1 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | D318 | D318-G321 PolarHBondContact O-N 3.18Å; D318-G321 PolarHBondContact OD1-N 2.89Å | ||
| 322 | E | 90.6 | Very high | 94.3 | Very high | 137 Ų | 137 | 71.2 Ų | 71.2 | 64% | 0.64 | 41% | 0.412 | S | S | * | . | trans | -71.4 | 135.4 | 174.8 | -173.5 | 172.7 | 177.8 | 0 | 0 | 110.3 | K317 D318 | K317-E322 CarbonylContact C-O 3.59Å; K317-E322 VanDerWaalsContact CA-O 3.27Å; K317-E322 WeakPolarHBondContact CA-O 3.33Å; D318-E322 PolarHBondContact N-O 2.79Å; D318-E322 PolarHBondContact OD1-N 3.49Å | ||
| 323 | E | 92.8 | Very high | 94.4 | Very high | 65 Ų | 65 | 75.9 Ų | 75.9 | 30% | 0.304 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 138.6 | -175.8 | -176.6 | 164.2 | 94 | 0 | 0 | 112.3 | S304 F315 M316 K317 | S304-E323 WeakPolarHBondContact CB-OE1 3.36Å; S304-E323 WeakPolarHBondContact CB-OE2 3.3Å; S304-E323 PolarHBondContact OG-OE1 3.48Å; S304-E323 PolarHBondContact OG-OE2 3.41Å; F315-E323 HydrophobicContact CB-CG 4.04Å; M316-E323 CarbonylContact O-C 3.59Å; M316-E323 WeakPolarHBondContact O-CA 3.46Å; K317-E323 HydrophobicContact CG-CB 4.49Å |
| 324 | F | 93.8 | Very high | 94.5 | Very high | 28 Ų | 28 | 77.1 Ų | 77.1 | 12% | 0.123 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 157.5 | 178.7 | 66 | -99.3 | 0 | 0 | 0 | 111.7 | F315 M316 D318 P338 L340 | F315-F324 WeakPolarHBondContact CA-O 3.48Å; M316-F324 HydrophobicContact CB-CD2 4.3Å; M316-F324 HydrophobicContact CB-CE1 4.18Å; M316-F324 HydrophobicContact CB-CE2 3.75Å; M316-F324 HydrophobicContact CB-CZ 3.68Å; M316-F324 HydrophobicContact CG-CE2 4.44Å; M316-F324 PolarHBondContact N-O 3.46Å; M316-F324 PolarHBondContact O-N 2.89Å; M316-F324 HydrophobicContact SD-CE2 4.31Å; D318-F324 HydrophobicContact CB-CD1 4.25Å; D318-F324 HydrophobicContact CB-CE1 3.9Å; F324-P338 HydrophobicContact CE2-CB 4.43Å; F324-P338 HydrophobicContact CE2-CG 4.24Å; F324-P338 HydrophobicContact CZ-CG 4.44Å; F324-L340 HydrophobicContact CE1-CD2 4.08Å; F324-L340 HydrophobicContact CZ-CD2 3.63Å |
| 325 | P | 95.1 | Very high | 94.5 | Very high | 82 Ų | 82 | 78.2 Ų | 78.2 | 53% | 0.532 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 133.6 | 177.4 | 27.6 | -34.3 | 0 | 0 | 0 | 111.6 | F315 | F315-P325 HydrophobicContact CD1-CB 4.38Å; F315-P325 HydrophobicContact CE1-CB 4.26Å |
| 326 | R | 95.6 | Very high | 94.5 | Very high | 86 Ų | 86 | 76.1 Ų | 76.1 | 33% | 0.325 | 43% | 0.431 | S | S | . | . | P | Polyproline II helix | trans | -57.8 | 137.1 | 171.8 | -178.2 | 175.8 | 178 | -178 | 3.1 | 109.5 | G313 S314 M316 A328 | G313-R326 VanDerWaalsContact O-CD 3.25Å; G313-R326 WeakPolarHBondContact O-CD 3.42Å; S314-R326 WeakPolarHBondContact O-CB 3.17Å; S314-R326 PolarHBondContact O-N 3.26Å; M316-R326 HydrophobicContact CG-CB 4.07Å; M316-R326 HydrophobicContact CG-CG 4.41Å; M316-R326 HydrophobicContact SD-CB 4.06Å; M316-R326 HydrophobicContact SD-CG 3.83Å; R326-A328 PolarHBondContact O-N 2.53Å |
| 327 | P | 96 | Very high | 94.5 | Very high | 12 Ų | 12 | 79.4 Ų | 79.4 | 8% | 0.078 | 45% | 0.446 | C | S | . | . | P | Polyproline II helix | trans | -55.9 | 141.3 | 177.7 | -23 | 31 | 0 | 0 | 0 | 112.1 | D26 A336 P338 | D26-P327 HydrophobicContact CB-CB 4.09Å; D26-P327 HydrophobicContact CB-CG 3.91Å; D26-P327 WeakPolarHBondContact OD2-CG 3.32Å; P327-A336 HydrophobicContact CB-CB 3.58Å; P327-A336 HydrophobicContact CG-CB 3.99Å; P327-P338 HydrophobicContact CG-CB 3.78Å; P327-P338 HydrophobicContact CG-CG 3.78Å |
| 328 | A | 94.6 | Very high | 94.5 | Very high | 81 Ų | 81 | 74.1 Ų | 74.1 | 67% | 0.669 | 43% | 0.425 | S | S | * | . | S | Bend | trans | -128.6 | 148.6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | R326 | R326-A328 PolarHBondContact O-N 2.53Š|
| 329 | P | 95.3 | Very high | 94.6 | Very high | 89 Ų | 89 | 75.1 Ų | 75.1 | 58% | 0.578 | 43% | 0.434 | S | S | * | . | S | Bend | cis | -75.7 | 163 | -1.1 | 32.8 | -36.6 | 0 | 0 | 0 | 113.5 | L331 | P329-L331 HydrophobicContact CG-CD2 4.14Å; P329-L331 PolarHBondContact O-N 3.07Å |
| 330 | V | 95.1 | Very high | 94.7 | Very high | 64 Ų | 64 | 74.4 Ų | 74.4 | 39% | 0.388 | 42% | 0.422 | S | S | . | . | trans | -81 | 110.8 | 172.4 | -178.2 | 0 | 0 | 0 | 0 | 109 | ||||
| 331 | L | 96.4 | Very high | 94.8 | Very high | 59 Ų | 59 | 72.6 Ų | 72.6 | 31% | 0.309 | 41% | 0.413 | S | S | . | . | trans | -86.5 | 129.1 | 176.2 | -55.5 | -178.7 | 0 | 0 | 0 | 110 | F27 P329 R333 T334 P335 | F27-L331 HydrophobicContact CD1-CD1 4.09Å; F27-L331 HydrophobicContact CE1-CD1 3.78Å; F27-L331 HydrophobicContact CE1-CG 4.1Å; P329-L331 HydrophobicContact CG-CD2 4.14Å; P329-L331 PolarHBondContact O-N 3.07Å; L331-R333 PolarHBondContact O-N 3.21Å; L331-T334 WeakPolarHBondContact CB-O 3.34Å; L331-T334 WeakPolarHBondContact CD1-O 3.42Å; L331-P335 WeakPolarHBondContact O-CA 3.48Å; L331-P335 WeakPolarHBondContact O-CB 3.47Å; L331-P335 WeakPolarHBondContact O-CD 3.24Å | ||
| 332 | S | 96.5 | Very high | 94.7 | Very high | 124 Ų | 124 | 74.7 Ų | 74.7 | 87% | 0.867 | 42% | 0.421 | S | S | * | . | S | Bend | trans | -67.7 | -30.3 | -173.4 | 57.3 | 0 | 0 | 0 | 0 | 114.7 | ||
| 333 | R | 97.4 | Very high | 94.8 | Very high | 228 Ų | 228 | 70.7 Ų | 70.7 | 86% | 0.86 | 40% | 0.404 | S | S | * | . | S | Bend | trans | -105.7 | -26 | -178.6 | -70.8 | 178.5 | 61.4 | -146.9 | -2.3 | 114.3 | L331 | L331-R333 PolarHBondContact O-N 3.21Š|
| 334 | T | 96.9 | Very high | 94.7 | Very high | 54 Ų | 54 | 67.9 Ų | 67.9 | 33% | 0.331 | 39% | 0.391 | S | S | . | . | S | Bend | trans | -137.3 | 57.3 | -175.9 | 55.5 | 0 | 0 | 0 | 0 | 109.7 | L331 | L331-T334 WeakPolarHBondContact CB-O 3.34Å; L331-T334 WeakPolarHBondContact CD1-O 3.42Å |
| 335 | P | 96.5 | Very high | 94.7 | Very high | 42 Ų | 42 | 68.6 Ų | 68.6 | 27% | 0.273 | 40% | 0.402 | S | S | . | . | trans | -56.1 | 152.2 | 179.6 | 27.2 | -35.1 | 0 | 0 | 0 | 110.2 | L331 | L331-P335 WeakPolarHBondContact O-CA 3.48Å; L331-P335 WeakPolarHBondContact O-CB 3.47Å; L331-P335 WeakPolarHBondContact O-CD 3.24Å | ||
| 336 | A | 96.8 | Very high | 94.6 | Very high | 12 Ų | 12 | 65.2 Ų | 65.2 | 10% | 0.099 | 38% | 0.38 | C | S | . | . | trans | -63.8 | 142.6 | 167.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | D26 F27 P327 | D26-A336 HydrophobicContact CB-CB 4.49Å; D26-A336 VanDerWaalsContact O-CA 3.29Å; D26-A336 WeakPolarHBondContact O-CA 3.43Å; D26-A336 VanDerWaalsContact O-CB 3.27Å; D26-A336 WeakPolarHBondContact O-CB 3.44Å; F27-A336 HydrophobicContact CD1-CB 3.95Å; F27-A336 HydrophobicContact CE1-CB 3.75Å; F27-A336 HydrophobicContact CE2-CB 4.35Å; F27-A336 HydrophobicContact CG-CB 4.35Å; F27-A336 HydrophobicContact CZ-CB 3.96Å; P327-A336 HydrophobicContact CB-CB 3.58Å; P327-A336 HydrophobicContact CG-CB 3.99Å | ||
| 337 | E | 94.7 | Very high | 94.6 | Very high | 125 Ų | 125 | 61.1 Ų | 61.1 | 58% | 0.584 | 37% | 0.365 | S | S | * | . | trans | -126 | 81 | 175.8 | -66 | 172.7 | 178.4 | 0 | 0 | 107.3 | M1 D26 | M1-E337 HydrophobicContact CE-CB 4.24Å; M1-E337 HydrophobicContact CG-CB 4.1Å; M1-E337 HydrophobicContact CG-CG 4.17Å; M1-E337 HydrophobicContact SD-CB 3.74Å; M1-E337 HydrophobicContact SD-CG 4.45Å; D26-E337 PolarHBondContact O-N 3.34Å; D26-E337 VanDerWaalsContact O-N 3.16Å | ||
| 338 | P | 94.3 | Very high | 94.5 | Very high | 16 Ų | 16 | 63.6 Ų | 63.6 | 10% | 0.104 | 38% | 0.376 | C | S | . | . | trans | -64 | 143.9 | -176.4 | 28.9 | -35.6 | 0 | 0 | 0 | 110.5 | D26 M316 F324 P327 L340 | D26-P338 WeakPolarHBondContact OD1-CB 3.49Å; M316-P338 HydrophobicContact CE-CG 4.22Å; M316-P338 HydrophobicContact SD-CG 3.88Å; F324-P338 HydrophobicContact CE2-CB 4.43Å; F324-P338 HydrophobicContact CE2-CG 4.24Å; F324-P338 HydrophobicContact CZ-CG 4.44Å; P327-P338 HydrophobicContact CG-CB 3.78Å; P327-P338 HydrophobicContact CG-CG 3.78Å; P338-L340 PolarHBondContact O-N 3.27Å | ||
| 339 | C | 94.6 | Very high | 94.7 | Very high | 53 Ų | 53 | 61.1 Ų | 61.1 | 36% | 0.358 | 35% | 0.35 | S | S | . | . | trans | -67.4 | 133.3 | 172 | -171.9 | 0 | 0 | 0 | 0 | 110.1 | G49 A341 | G49-C339 VanDerWaalsContact CA-CB 3.45Å; C339-A341 PolarHBondContact SG-N 3.46Å | ||
| 340 | L | 94.6 | Very high | 94.8 | Very high | 74 Ų | 74 | 56.9 Ų | 56.9 | 39% | 0.387 | 32% | 0.323 | S | S | . | . | trans | -97 | -3.2 | 177.9 | -53.2 | -175.3 | 0 | 0 | 0 | 112.9 | M316 S319 F324 P338 | M316-L340 HydrophobicContact CE-CD2 4.17Å; S319-L340 VanDerWaalsContact CB-O 3.29Å; S319-L340 WeakPolarHBondContact CB-O 3.19Å; S319-L340 PolarHBondContact N-O 2.85Å; S319-L340 PolarHBondContact OG-O 3.17Å; F324-L340 HydrophobicContact CE1-CD2 4.08Å; F324-L340 HydrophobicContact CZ-CD2 3.63Å; P338-L340 PolarHBondContact O-N 3.27Å | ||
| 341 | A | 92.3 | Very high | 94.9 | Very high | 52 Ų | 52 | 56.5 Ų | 56.5 | 43% | 0.43 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -69.9 | 158.1 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | C339 | C339-A341 PolarHBondContact SG-N 3.46Š|
| 342 | S | 89.4 | Confident | 94.9 | Very high | 86 Ų | 86 | 57.7 Ų | 57.7 | 60% | 0.601 | 32% | 0.324 | S | S | * | . | P | Polyproline II helix | trans | -57.3 | 155.5 | 172.5 | 56.2 | 0 | 0 | 0 | 0 | 111.8 | ||
| 343 | D | 91.6 | Very high | 95 | Very high | 52 Ų | 52 | 51.8 Ų | 51.8 | 28% | 0.278 | 28% | 0.283 | S | S | . | . | P | Polyproline II helix | trans | -54.8 | 143.3 | 171.9 | -76.4 | 1.9 | 0 | 0 | 0 | 111.6 | T45 G47 R48 | T45-D343 WeakPolarHBondContact CA-OD2 3.5Å; G47-D343 VanDerWaalsContact C-OD1 3.31Å; G47-D343 VanDerWaalsContact CA-CG 3.49Å; G47-D343 WeakPolarHBondContact CA-OD2 3.45Å; G47-D343 PolarHBondContact N-OD1 3.29Å; G47-D343 PolarHBondContact N-OD2 3.49Å; R48-D343 WeakPolarHBondContact CA-OD1 3.49Å; R48-D343 PolarHBondContact N-OD1 2.97Å |
| 344 | P | 92.6 | Very high | 95 | Very high | 6 Ų | 6 | 40.9 Ų | 40.9 | 4% | 0.039 | 24% | 0.242 | C | C | . | . | P | Polyproline II helix | trans | -68.9 | 135.4 | -175.7 | 29.7 | -37.1 | 0 | 0 | 0 | 111.3 | R33 G47 K50 E348 | R33-P344 PolarHBondContact NH2-O 3.08Å; G47-P344 WeakPolarHBondContact O-CD 3.38Å; K50-P344 HydrophobicContact CB-CG 4.46Å; K50-P344 WeakPolarHBondContact O-CG 3.36Å; P344-E348 WeakPolarHBondContact CA-OE2 3.22Å |
| 345 | A | 92.6 | Very high | 95.1 | Very high | 43 Ų | 43 | 42.1 Ų | 42.1 | 36% | 0.355 | 25% | 0.246 | S | C | . | . | P | Polyproline II helix | trans | -66.3 | 153.7 | 167.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | S52 G347 E348 | S52-A345 WeakPolarHBondContact CB-O 3.42Å; S52-A345 PolarHBondContact OG-O 2.91Å; A345-G347 PolarHBondContact O-N 2.93Å; A345-G347 VanDerWaalsContact O-N 3.15Å; A345-E348 HydrophobicContact CB-CB 4.23Å; A345-E348 PolarHBondContact N-OE2 3.12Å; A345-E348 WeakPolarHBondContact O-CB 3.12Å; A345-E348 PolarHBondContact O-N 2.7Å |
| 346 | V | 93.6 | Very high | 95 | Very high | 11 Ų | 11 | 44 Ų | 44 | 7% | 0.067 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | 121.3 | 178.6 | 173.2 | 0 | 0 | 0 | 0 | 110.4 | D35 V39 S52 A54 E348 | D35-V346 HydrophobicContact CB-CG1 3.7Å; D35-V346 HydrophobicContact CB-CG2 4.36Å; V39-V346 HydrophobicContact CG1-CG2 4.24Å; V39-V346 WeakPolarHBondContact O-CB 3.22Å; V39-V346 VanDerWaalsContact O-CG1 3.28Å; V39-V346 WeakPolarHBondContact O-CG1 3.32Å; S52-V346 WeakPolarHBondContact OG-CA 3.45Å; A54-V346 HydrophobicContact CB-CG1 3.86Å; V346-E348 VanDerWaalsContact C-N 3.27Å; V346-E348 PolarHBondContact O-N 3.12Å |
| 347 | G | 94.9 | Very high | 95 | Very high | 1 Ų | 1 | 43.7 Ų | 43.7 | 1% | 0.01 | 25% | 0.25 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 70.4 | 17.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | S52 A345 H349 T350 C375 S376 | S52-G347 PolarHBondContact OG-N 2.93Å; A345-G347 PolarHBondContact O-N 2.93Å; A345-G347 VanDerWaalsContact O-N 3.15Å; G347-H349 PolarHBondContact O-N 2.88Å; G347-T350 VanDerWaalsContact CA-OG1 3.31Å; G347-T350 WeakPolarHBondContact CA-OG1 3.49Å; G347-T350 PolarHBondContact O-N 3.32Å; G347-T350 PolarHBondContact O-OG1 2.98Å; G347-C375 WeakPolarHBondContact O-CA 3.13Å; G347-S376 PolarHBondContact O-N 3.21Å |
| 348 | E | 95.1 | Very high | 95.1 | Very high | 64 Ų | 64 | 40.2 Ų | 40.2 | 30% | 0.299 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -31.4 | 177.6 | -179.7 | 174.5 | 165.6 | 0 | 0 | 113.3 | P344 A345 V346 | P344-E348 WeakPolarHBondContact CA-OE2 3.22Å; A345-E348 HydrophobicContact CB-CB 4.23Å; A345-E348 PolarHBondContact N-OE2 3.12Å; A345-E348 WeakPolarHBondContact O-CB 3.12Å; A345-E348 PolarHBondContact O-N 2.7Å; V346-E348 VanDerWaalsContact C-N 3.27Å; V346-E348 PolarHBondContact O-N 3.12Å |
| 349 | H | 96.9 | Very high | 95.2 | Very high | 29 Ų | 29 | 40.7 Ų | 40.7 | 13% | 0.134 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -113.6 | 12 | -173.6 | -53.9 | 88.3 | 0 | 0 | 0 | 112.5 | Q51 S52 G347 V351 E352 V353 | Q51-H349 HydrophobicContact CB-CB 3.83Å; Q51-H349 HydrophobicContact CG-CB 4.2Å; S52-H349 PolarHBondContact N-ND1 3.32Å; S52-H349 CarbonylContact O-C 3.57Å; S52-H349 WeakPolarHBondContact O-CA 3.21Å; S52-H349 WeakPolarHBondContact O-CB 3.27Å; S52-H349 PolarHBondContact O-N 2.62Å; G347-H349 PolarHBondContact O-N 2.88Å; H349-V351 PolarHBondContact O-N 2.82Å; H349-E352 IonicContact CD2-OE2 3.61Å; H349-E352 PolarHBondContact O-N 2.8Å; H349-V353 HydrophobicContact CB-CG2 4.09Å; H349-V353 WeakPolarHBondContact O-CB 3.32Å; H349-V353 VanDerWaalsContact O-CG2 3.32Å; H349-V353 WeakPolarHBondContact O-CG2 3.5Å; H349-V353 PolarHBondContact O-N 2.98Å |
| 350 | T | 97.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -50.7 | -55.3 | -178.5 | -67.3 | 0 | 0 | 0 | 0 | 112.1 | S52 V53 A54 G347 L354 V373 Q374 | S52-T350 PolarHBondContact O-N 2.73Å; V53-T350 HydrophobicContact CG1-CG2 4.4Å; A54-T350 PolarHBondContact N-OG1 2.82Å; G347-T350 VanDerWaalsContact CA-OG1 3.31Å; G347-T350 WeakPolarHBondContact CA-OG1 3.49Å; G347-T350 PolarHBondContact O-N 3.32Å; G347-T350 PolarHBondContact O-OG1 2.98Å; T350-L354 HydrophobicContact CG2-CD1 3.88Å; T350-L354 WeakPolarHBondContact O-CB 3.4Å; T350-L354 WeakPolarHBondContact O-CG 3.41Å; T350-L354 PolarHBondContact O-N 3.44Å; T350-V373 HydrophobicContact CG2-CB 3.77Å; T350-V373 HydrophobicContact CG2-CG2 3.74Å; T350-Q374 WeakPolarHBondContact CB-O 3.39Å; T350-Q374 PolarHBondContact OG1-O 3.35Å |
| 351 | V | 97.4 | Very high | 95.4 | Very high | 56 Ų | 56 | 41.8 Ų | 41.8 | 34% | 0.339 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -64.1 | -47.9 | -177.5 | 178.6 | 0 | 0 | 0 | 0 | 111.5 | H349 V353 L354 L355 I364 C375 | H349-V351 PolarHBondContact O-N 2.82Å; V351-V353 PolarHBondContact O-N 3.1Å; V351-L354 PolarHBondContact O-N 3.36Å; V351-L355 HydrophobicContact CG1-CD1 3.92Å; V351-L355 HydrophobicContact CG1-CG 4.37Å; V351-L355 WeakPolarHBondContact O-CG 3.43Å; V351-L355 PolarHBondContact O-N 2.95Å; V351-I364 HydrophobicContact CG1-CD1 4.4Å; V351-I364 HydrophobicContact CG1-CG2 4.43Å; V351-I364 HydrophobicContact CG2-CG2 4.08Å; V351-C375 VanDerWaalsContact CG2-SG 3.58Å |
| 352 | E | 97.6 | Very high | 95.7 | Very high | 83 Ų | 83 | 42.1 Ų | 42.1 | 39% | 0.388 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -58.7 | -48.2 | -178.4 | -177 | -173.2 | 152.3 | 0 | 0 | 111.6 | Q51 H349 L354 L355 D356 | Q51-E352 PolarHBondContact NE2-OE1 3Å; H349-E352 IonicContact CD2-OE2 3.61Å; H349-E352 PolarHBondContact O-N 2.8Å; E352-L354 PolarHBondContact O-N 3.23Å; E352-L355 PolarHBondContact O-N 3.45Å; E352-D356 PolarHBondContact O-N 3.19Å |
| 353 | V | 97.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -65.2 | -40.3 | 178.6 | 172.8 | 0 | 0 | 0 | 0 | 111.1 | I32 Q51 V53 H349 V351 L355 D356 Y357 | I32-V353 HydrophobicContact CD1-CG1 3.82Å; I32-V353 HydrophobicContact CD1-CG2 4.48Å; I32-V353 HydrophobicContact CG1-CG1 4.4Å; I32-V353 HydrophobicContact CG1-CG2 4.35Å; I32-V353 HydrophobicContact CG2-CG1 4.05Å; I32-V353 HydrophobicContact CG2-CG2 4.37Å; Q51-V353 HydrophobicContact CB-CG2 4.03Å; V53-V353 HydrophobicContact CG2-CB 3.5Å; V53-V353 HydrophobicContact CG2-CG1 3.58Å; V53-V353 HydrophobicContact CG2-CG2 3.72Å; H349-V353 HydrophobicContact CB-CG2 4.09Å; H349-V353 WeakPolarHBondContact O-CB 3.32Å; H349-V353 VanDerWaalsContact O-CG2 3.32Å; H349-V353 WeakPolarHBondContact O-CG2 3.5Å; H349-V353 PolarHBondContact O-N 2.98Å; V351-V353 PolarHBondContact O-N 3.1Å; V353-L355 PolarHBondContact O-N 2.91Å; V353-D356 WeakPolarHBondContact O-CB 3.31Å; V353-D356 PolarHBondContact O-N 3.49Å; V353-Y357 HydrophobicContact CG1-CD2 3.97Å; V353-Y357 HydrophobicContact CG1-CE2 4.01Å; V353-Y357 VanDerWaalsContact O-CD2 3.23Å; V353-Y357 WeakPolarHBondContact O-CD2 3.21Å; V353-Y357 PolarHBondContact O-N 2.88Å; V353-Y357 VanDerWaalsContact O-N 3.1Å |
| 354 | L | 98.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -65.3 | -39.8 | 178.6 | -69.5 | 176.1 | 0 | 0 | 0 | 112.3 | L65 T350 V351 E352 D356 Y357 G358 Y359 I364 M367 V373 | L65-L354 HydrophobicContact CD1-CD2 3.55Å; L65-L354 HydrophobicContact CD2-CD2 4Å; L65-L354 HydrophobicContact CG-CD2 4.35Å; T350-L354 HydrophobicContact CG2-CD1 3.88Å; T350-L354 WeakPolarHBondContact O-CB 3.4Å; T350-L354 WeakPolarHBondContact O-CG 3.41Å; T350-L354 PolarHBondContact O-N 3.44Å; V351-L354 PolarHBondContact O-N 3.36Å; E352-L354 PolarHBondContact O-N 3.23Å; L354-D356 VanDerWaalsContact C-N 3.33Å; L354-D356 PolarHBondContact O-N 3.43Å; L354-Y357 CarbonylContact O-C 3.57Å; L354-Y357 PolarHBondContact O-N 3.03Å; L354-G358 PolarHBondContact O-N 2.73Å; L354-Y359 HydrophobicContact CB-CD2 4.21Å; L354-Y359 HydrophobicContact CD2-CD2 3.9Å; L354-Y359 HydrophobicContact CD2-CE2 4.02Å; L354-Y359 WeakPolarHBondContact O-CB 3.4Å; L354-Y359 WeakPolarHBondContact O-CD2 3.4Å; L354-Y359 PolarHBondContact O-N 3.25Å; L354-I364 HydrophobicContact CB-CD1 3.65Å; L354-I364 HydrophobicContact CB-CG1 3.78Å; L354-I364 HydrophobicContact CD1-CG1 4.04Å; L354-I364 HydrophobicContact CD1-CG2 4.18Å; L354-M367 HydrophobicContact CD1-CE 3.94Å; L354-V373 HydrophobicContact CD1-CG1 4.19Å; L354-V373 HydrophobicContact CD1-CG2 4.22Å |
| 355 | L | 97.5 | Very high | 96.5 | Very high | 79 Ų | 79 | 43.8 Ų | 43.8 | 41% | 0.414 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -59.7 | -43.8 | 172.3 | -70 | 168.6 | 0 | 0 | 0 | 111.2 | V351 E352 V353 Y357 G358 Y359 I364 | V351-L355 HydrophobicContact CG1-CD1 3.92Å; V351-L355 HydrophobicContact CG1-CG 4.37Å; V351-L355 WeakPolarHBondContact O-CG 3.43Å; V351-L355 PolarHBondContact O-N 2.95Å; E352-L355 PolarHBondContact O-N 3.45Å; V353-L355 PolarHBondContact O-N 2.91Å; L355-Y357 PolarHBondContact O-N 3.2Å; L355-G358 WeakPolarHBondContact O-CA 3.48Å; L355-G358 PolarHBondContact O-N 2.59Å; L355-Y359 WeakPolarHBondContact CD2-O 3.31Å; L355-I364 HydrophobicContact CD2-CD1 3.79Å; L355-I364 HydrophobicContact CG-CD1 3.76Å |
| 356 | D | 95.8 | Very high | 96.7 | Very high | 82 Ų | 82 | 48.3 Ų | 48.3 | 44% | 0.439 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -62.9 | -24.7 | 177.6 | -76.5 | -16.9 | 0 | 0 | 0 | 113.9 | K30 E352 V353 L354 G358 | K30-D356 IonicContact NZ-OD2 3.01Å; K30-D356 PolarHBondContact NZ-OD2 2.9Å; E352-D356 PolarHBondContact O-N 3.19Å; V353-D356 WeakPolarHBondContact O-CB 3.31Å; V353-D356 PolarHBondContact O-N 3.49Å; L354-D356 VanDerWaalsContact C-N 3.33Å; L354-D356 PolarHBondContact O-N 3.43Å; D356-G358 VanDerWaalsContact C-N 3.32Å |
| 357 | Y | 95.9 | Very high | 96.9 | Very high | 5 Ų | 5 | 49 Ų | 49 | 2% | 0.02 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | 10.2 | 174.9 | -80.2 | -107.2 | 0 | 0 | 0 | 112.7 | I32 R68 L69 Q72 S73 V353 L354 L355 | I32-Y357 HydrophobicContact CD1-CE2 3.62Å; R68-Y357 PolarHBondContact NH2-O 2.81Å; L69-Y357 HydrophobicContact CB-CE1 4.26Å; L69-Y357 HydrophobicContact CD2-CD1 3.38Å; L69-Y357 HydrophobicContact CD2-CD2 3.87Å; L69-Y357 HydrophobicContact CD2-CE1 3.72Å; L69-Y357 HydrophobicContact CD2-CE2 4.16Å; L69-Y357 HydrophobicContact CD2-CG 3.46Å; L69-Y357 VanDerWaalsContact CD2-CG 3.46Å; L69-Y357 WeakPolarHBondContact O-CE1 3.44Å; Q72-Y357 HydrophobicContact CB-CD1 3.95Å; Q72-Y357 HydrophobicContact CB-CE1 3.75Å; S73-Y357 PolarHBondContact OG-OH 3.4Å; V353-Y357 HydrophobicContact CG1-CD2 3.97Å; V353-Y357 HydrophobicContact CG1-CE2 4.01Å; V353-Y357 VanDerWaalsContact O-CD2 3.23Å; V353-Y357 WeakPolarHBondContact O-CD2 3.21Å; V353-Y357 PolarHBondContact O-N 2.88Å; V353-Y357 VanDerWaalsContact O-N 3.1Å; L354-Y357 CarbonylContact O-C 3.57Å; L354-Y357 PolarHBondContact O-N 3.03Å; L355-Y357 PolarHBondContact O-N 3.2Å |
| 358 | G | 96.2 | Very high | 97 | Very high | 52 Ų | 52 | 51.7 Ų | 51.7 | 54% | 0.536 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80 | 25 | 171.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | R68 L354 L355 D356 | R68-G358 PolarHBondContact NH2-O 2.92Å; L354-G358 PolarHBondContact O-N 2.73Å; L355-G358 WeakPolarHBondContact O-CA 3.48Å; L355-G358 PolarHBondContact O-N 2.59Å; D356-G358 VanDerWaalsContact C-N 3.32Å |
| 359 | Y | 97.1 | Very high | 97 | Very high | 27 Ų | 27 | 53 Ų | 53 | 11% | 0.106 | 31% | 0.313 | C | S | . | . | trans | -81.4 | 143.7 | 165.3 | -68 | -86.9 | 0 | 0 | 0 | 109.9 | L65 R68 L354 L355 E363 M367 | L65-Y359 HydrophobicContact CD1-CE2 3.55Å; L65-Y359 WeakPolarHBondContact CD1-OH 3.4Å; R68-Y359 WeakPolarHBondContact CD-OH 3.43Å; R68-Y359 VanDerWaalsContact NH1-CE1 3.3Å; R68-Y359 VanDerWaalsContact NH1-CZ 3.34Å; L354-Y359 HydrophobicContact CB-CD2 4.21Å; L354-Y359 HydrophobicContact CD2-CD2 3.9Å; L354-Y359 HydrophobicContact CD2-CE2 4.02Å; L354-Y359 WeakPolarHBondContact O-CB 3.4Å; L354-Y359 WeakPolarHBondContact O-CD2 3.4Å; L354-Y359 PolarHBondContact O-N 3.25Å; L355-Y359 WeakPolarHBondContact CD2-O 3.31Å; Y359-E363 WeakPolarHBondContact CA-OE2 3.24Å; Y359-E363 HydrophobicContact CD1-CB 4.29Å; Y359-M367 HydrophobicContact CD1-CE 3.78Å; Y359-M367 HydrophobicContact CE1-CE 4.12Å; Y359-M367 HydrophobicContact CG-CE 4.13Å | ||
| 360 | T | 97.8 | Very high | 96.9 | Very high | 75 Ų | 75 | 55.1 Ų | 55.1 | 46% | 0.46 | 34% | 0.336 | S | S | . | . | trans | -80 | 157.9 | 173.2 | 63.4 | 0 | 0 | 0 | 0 | 110.8 | A362 E363 I364 | T360-A362 PolarHBondContact O-N 3.45Å; T360-E363 PolarHBondContact N-OE2 3.18Å; T360-E363 PolarHBondContact O-N 3.01Å; T360-E363 WeakPolarHBondContact OG1-CG 3.41Å; T360-E363 PolarHBondContact OG1-N 3.42Å; T360-E363 PolarHBondContact OG1-OE2 3.29Å; T360-I364 VanDerWaalsContact O-CG1 3.3Å; T360-I364 WeakPolarHBondContact O-CG1 3.39Å; T360-I364 PolarHBondContact O-N 3.39Å | ||
| 361 | S | 96.5 | Very high | 96.8 | Very high | 75 Ų | 75 | 56.6 Ų | 56.6 | 52% | 0.524 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -54.7 | -38.3 | 173.9 | -56.2 | 0 | 0 | 0 | 0 | 112.3 | I364 D365 | S361-I364 PolarHBondContact O-N 3.48Å; S361-D365 WeakPolarHBondContact O-CB 3.14Å; S361-D365 PolarHBondContact O-N 2.85Å |
| 362 | A | 97.4 | Very high | 96.8 | Very high | 59 Ų | 59 | 54.3 Ų | 54.3 | 49% | 0.488 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -63.1 | -46.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | T360 I364 D365 E366 | T360-A362 PolarHBondContact O-N 3.45Å; A362-I364 VanDerWaalsContact C-N 3.28Å; A362-I364 PolarHBondContact O-N 3.44Å; A362-D365 PolarHBondContact O-N 3.34Å; A362-E366 WeakPolarHBondContact O-CG 3.35Å; A362-E366 PolarHBondContact O-N 3.13Å |
| 363 | E | 97.4 | Very high | 96.7 | Very high | 76 Ų | 76 | 50.6 Ų | 50.6 | 36% | 0.355 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -62.6 | -37.2 | 175.6 | -70.4 | 165.8 | 131.5 | 0 | 0 | 111.5 | Y359 T360 M367 | Y359-E363 WeakPolarHBondContact CA-OE2 3.24Å; Y359-E363 HydrophobicContact CD1-CB 4.29Å; T360-E363 PolarHBondContact N-OE2 3.18Å; T360-E363 PolarHBondContact O-N 3.01Å; T360-E363 WeakPolarHBondContact OG1-CG 3.41Å; T360-E363 PolarHBondContact OG1-N 3.42Å; T360-E363 PolarHBondContact OG1-OE2 3.29Å; E363-M367 WeakPolarHBondContact O-CE 3.38Å; E363-M367 VanDerWaalsContact O-CG 3.32Å; E363-M367 WeakPolarHBondContact O-CG 3.5Å; E363-M367 PolarHBondContact O-N 3.11Å |
| 364 | I | 97.3 | Very high | 96.6 | Very high | 2 Ų | 2 | 52.4 Ų | 52.4 | 1% | 0.01 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -66.9 | -44 | 177.8 | -64.3 | 166.4 | 0 | 0 | 0 | 110.9 | V351 L354 L355 T360 S361 A362 E366 M367 L368 | V351-I364 HydrophobicContact CG1-CD1 4.4Å; V351-I364 HydrophobicContact CG1-CG2 4.43Å; V351-I364 HydrophobicContact CG2-CG2 4.08Å; L354-I364 HydrophobicContact CB-CD1 3.65Å; L354-I364 HydrophobicContact CB-CG1 3.78Å; L354-I364 HydrophobicContact CD1-CG1 4.04Å; L354-I364 HydrophobicContact CD1-CG2 4.18Å; L355-I364 HydrophobicContact CD2-CD1 3.79Å; L355-I364 HydrophobicContact CG-CD1 3.76Å; T360-I364 VanDerWaalsContact O-CG1 3.3Å; T360-I364 WeakPolarHBondContact O-CG1 3.39Å; T360-I364 PolarHBondContact O-N 3.39Å; S361-I364 PolarHBondContact O-N 3.48Å; A362-I364 VanDerWaalsContact C-N 3.28Å; A362-I364 PolarHBondContact O-N 3.44Å; I364-E366 VanDerWaalsContact C-N 3.33Å; I364-E366 PolarHBondContact O-N 3.03Å; I364-M367 HydrophobicContact CG1-CE 4.17Å; I364-M367 PolarHBondContact O-N 2.76Å; I364-L368 HydrophobicContact CG2-CD1 4.01Å; I364-L368 HydrophobicContact CG2-CG 4.47Å; I364-L368 WeakPolarHBondContact O-CG 3.46Å; I364-L368 PolarHBondContact O-N 2.87Å |
| 365 | D | 96.6 | Very high | 96.2 | Very high | 100 Ų | 100 | 54 Ų | 54 | 54% | 0.535 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -62.8 | -40.6 | 177.2 | -69.1 | -24.4 | 0 | 0 | 0 | 111.4 | S361 A362 L368 A369 | S361-D365 WeakPolarHBondContact O-CB 3.14Å; S361-D365 PolarHBondContact O-N 2.85Å; A362-D365 PolarHBondContact O-N 3.34Å; D365-L368 PolarHBondContact O-N 3.45Å; D365-A369 WeakPolarHBondContact O-CB 3.17Å; D365-A369 PolarHBondContact O-N 2.99Å |
| 366 | E | 96.9 | Very high | 95.5 | Very high | 139 Ų | 139 | 51.6 Ų | 51.6 | 65% | 0.65 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -61.2 | -45.2 | 172.9 | -74.4 | 178.5 | -176.4 | 0 | 0 | 111.7 | A362 I364 L368 A369 A370 | A362-E366 WeakPolarHBondContact O-CG 3.35Å; A362-E366 PolarHBondContact O-N 3.13Å; I364-E366 VanDerWaalsContact C-N 3.33Å; I364-E366 PolarHBondContact O-N 3.03Å; E366-L368 VanDerWaalsContact C-N 3.34Å; E366-L368 PolarHBondContact O-N 3.49Å; E366-A369 PolarHBondContact O-N 3.04Å; E366-A370 VanDerWaalsContact O-CB 3.26Å; E366-A370 WeakPolarHBondContact O-CB 3.42Å; E366-A370 PolarHBondContact O-N 2.77Å |
| 367 | M | 97.3 | Very high | 93.8 | Very high | 26 Ų | 26 | 51.8 Ų | 51.8 | 13% | 0.128 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -64.7 | -35.9 | 177.1 | -75.1 | -172.7 | -73.1 | 0 | 0 | 112.9 | L65 L354 Y359 E363 I364 G371 V372 V373 | L65-M367 HydrophobicContact CD2-SD 3.84Å; L354-M367 HydrophobicContact CD1-CE 3.94Å; Y359-M367 HydrophobicContact CD1-CE 3.78Å; Y359-M367 HydrophobicContact CE1-CE 4.12Å; Y359-M367 HydrophobicContact CG-CE 4.13Å; E363-M367 WeakPolarHBondContact O-CE 3.38Å; E363-M367 VanDerWaalsContact O-CG 3.32Å; E363-M367 WeakPolarHBondContact O-CG 3.5Å; E363-M367 PolarHBondContact O-N 3.11Å; I364-M367 HydrophobicContact CG1-CE 4.17Å; I364-M367 PolarHBondContact O-N 2.76Å; M367-G371 PolarHBondContact O-N 3.42Å; M367-V372 HydrophobicContact CB-CB 4.11Å; M367-V372 HydrophobicContact CG-CB 4.31Å; M367-V372 HydrophobicContact CG-CG1 4.36Å; M367-V372 PolarHBondContact O-N 3.15Å; M367-V372 HydrophobicContact SD-CG1 4.47Å; M367-V373 HydrophobicContact CB-CG1 4.31Å; M367-V373 HydrophobicContact CB-CG2 3.92Å; M367-V373 PolarHBondContact O-N 3.27Å; M367-V373 HydrophobicContact SD-CG1 4.42Å |
| 368 | L | 96.1 | Very high | 91.8 | Very high | 56 Ų | 56 | 55 Ų | 55 | 29% | 0.293 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -67.4 | -47.4 | 174.5 | -75.3 | 166.3 | 0 | 0 | 0 | 111 | I364 D365 E366 A370 G371 V373 | I364-L368 HydrophobicContact CG2-CD1 4.01Å; I364-L368 HydrophobicContact CG2-CG 4.47Å; I364-L368 WeakPolarHBondContact O-CG 3.46Å; I364-L368 PolarHBondContact O-N 2.87Å; D365-L368 PolarHBondContact O-N 3.45Å; E366-L368 VanDerWaalsContact C-N 3.34Å; E366-L368 PolarHBondContact O-N 3.49Å; L368-A370 VanDerWaalsContact C-N 3.3Å; L368-A370 PolarHBondContact O-N 3.17Å; L368-G371 PolarHBondContact O-N 3.46Å; L368-G371 VanDerWaalsContact O-N 3.07Å; L368-V373 HydrophobicContact CD2-CG2 3.67Å; L368-V373 HydrophobicContact CG-CG2 3.81Å |
| 369 | A | 95.5 | Very high | 89.3 | Confident | 92 Ų | 92 | 57.8 Ų | 57.8 | 76% | 0.76 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -62.1 | -38.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | D365 E366 G371 | D365-A369 WeakPolarHBondContact O-CB 3.17Å; D365-A369 PolarHBondContact O-N 2.99Å; E366-A369 PolarHBondContact O-N 3.04Å; A369-G371 VanDerWaalsContact C-N 3.26Å; A369-G371 PolarHBondContact O-N 3.43Å |
| 370 | A | 95.3 | Very high | 86.5 | Confident | 73 Ų | 73 | 60.5 Ų | 60.5 | 60% | 0.603 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.8 | -7.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | E366 L368 V372 | E366-A370 VanDerWaalsContact O-CB 3.26Å; E366-A370 WeakPolarHBondContact O-CB 3.42Å; E366-A370 PolarHBondContact O-N 2.77Å; L368-A370 VanDerWaalsContact C-N 3.3Å; L368-A370 PolarHBondContact O-N 3.17Å; A370-V372 HydrophobicContact CB-CG2 3.96Å; A370-V372 PolarHBondContact O-N 3.07Å |
| 371 | G | 95.1 | Very high | 83.3 | Confident | 32 Ų | 32 | 66.6 Ų | 66.6 | 33% | 0.33 | 42% | 0.422 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.7 | 25 | -177 | 0 | 0 | 0 | 0 | 0 | 113.9 | N56 M367 L368 A369 | N56-G371 VanDerWaalsContact CB-O 3.31Å; N56-G371 WeakPolarHBondContact CB-O 3.15Å; N56-G371 PolarHBondContact ND2-O 2.86Å; M367-G371 PolarHBondContact O-N 3.42Å; L368-G371 PolarHBondContact O-N 3.46Å; L368-G371 VanDerWaalsContact O-N 3.07Å; A369-G371 VanDerWaalsContact C-N 3.26Å; A369-G371 PolarHBondContact O-N 3.43Å |
| 372 | V | 96.9 | Very high | 80.3 | Confident | 7 Ų | 7 | 73.5 Ų | 73.5 | 4% | 0.042 | 45% | 0.452 | C | S | . | . | S | Bend | trans | -72.3 | -39 | 171.7 | 176.9 | 0 | 0 | 0 | 0 | 109.7 | N56 E61 L65 M367 A370 | N56-V372 WeakPolarHBondContact CB-O 3.18Å; N56-V372 PolarHBondContact N-O 3.27Å; E61-V372 HydrophobicContact CB-CG1 4.07Å; E61-V372 HydrophobicContact CB-CG2 3.8Å; E61-V372 HydrophobicContact CG-CG2 4.5Å; L65-V372 HydrophobicContact CD2-CG1 4.45Å; M367-V372 HydrophobicContact CB-CB 4.11Å; M367-V372 HydrophobicContact CG-CB 4.31Å; M367-V372 HydrophobicContact CG-CG1 4.36Å; M367-V372 PolarHBondContact O-N 3.15Å; M367-V372 HydrophobicContact SD-CG1 4.47Å; A370-V372 HydrophobicContact CB-CG2 3.96Å; A370-V372 PolarHBondContact O-N 3.07Å |
| 373 | V | 96.8 | Very high | 79.4 | Confident | 5 Ų | 5 | 74.2 Ų | 74.2 | 3% | 0.03 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 162 | 175.6 | -51 | 0 | 0 | 0 | 0 | 111 | A54 L55 L65 T350 L354 M367 L368 | A54-V373 CarbonylContact O-C 3.57Å; A54-V373 VanDerWaalsContact O-CA 3.24Å; A54-V373 WeakPolarHBondContact O-CA 3.35Å; L55-V373 HydrophobicContact CD2-CB 4.3Å; L55-V373 HydrophobicContact CD2-CG1 3.48Å; L55-V373 VanDerWaalsContact CD2-CG1 3.48Å; L65-V373 HydrophobicContact CD2-CG1 3.43Å; L65-V373 VanDerWaalsContact CD2-CG1 3.43Å; T350-V373 HydrophobicContact CG2-CB 3.77Å; T350-V373 HydrophobicContact CG2-CG2 3.74Å; L354-V373 HydrophobicContact CD1-CG1 4.19Å; L354-V373 HydrophobicContact CD1-CG2 4.22Å; M367-V373 HydrophobicContact CB-CG1 4.31Å; M367-V373 HydrophobicContact CB-CG2 3.92Å; M367-V373 PolarHBondContact O-N 3.27Å; M367-V373 HydrophobicContact SD-CG1 4.42Å; L368-V373 HydrophobicContact CD2-CG2 3.67Å; L368-V373 HydrophobicContact CG-CG2 3.81Å |
| 374 | Q | 94.5 | Very high | 78.5 | Confident | 39 Ų | 39 | 74.1 Ų | 74.1 | 18% | 0.182 | 46% | 0.455 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 146.3 | 175.7 | 179.8 | -178.1 | -25.4 | 0 | 0 | 110.7 | T37 A54 T350 | T37-Q374 HydrophobicContact CG2-CB 3.73Å; A54-Q374 HydrophobicContact CB-CB 3.98Å; A54-Q374 PolarHBondContact O-N 2.96Å; T350-Q374 WeakPolarHBondContact CB-O 3.39Å; T350-Q374 PolarHBondContact OG1-O 3.35Å |
| 375 | C | 90.6 | Very high | 77.4 | Confident | 33 Ų | 33 | 78.1 Ų | 78.1 | 22% | 0.223 | 48% | 0.48 | C | S | . | . | trans | -105.1 | 151.8 | 168.4 | -66 | 0 | 0 | 0 | 0 | 111.5 | G347 V351 A377 | G347-C375 WeakPolarHBondContact O-CA 3.13Å; V351-C375 VanDerWaalsContact CG2-SG 3.58Å; C375-A377 PolarHBondContact O-N 3.22Å | ||
| 376 | S | 82.8 | Confident | 76.3 | Confident | 28 Ų | 28 | 76.8 Ų | 76.8 | 20% | 0.196 | 48% | 0.477 | C | S | . | . | trans | -56.7 | 135.8 | 167.3 | 158.1 | 0 | 0 | 0 | 0 | 110.4 | G347 G378 K379 | G347-S376 PolarHBondContact O-N 3.21Å; S376-G378 PolarHBondContact O-N 3.5Å; S376-G378 PolarHBondContact OG-N 2.98Å; S376-K379 PolarHBondContact O-N 3.19Å; S376-K379 VanDerWaalsContact O-N 3.14Å | ||
| 377 | A | 59.8 | Low | 75 | Confident | 87 Ų | 87 | 72.9 Ų | 72.9 | 72% | 0.719 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -17 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | C375 K379 | C375-A377 PolarHBondContact O-N 3.22Å; A377-K379 VanDerWaalsContact C-N 3.33Å; A377-K379 PolarHBondContact O-N 3.36Å |
| 378 | G | 54 | Low | 73.5 | Confident | 72 Ų | 72 | 76.1 Ų | 76.1 | 74% | 0.742 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | -21.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115 | S376 | S376-G378 PolarHBondContact O-N 3.5Å; S376-G378 PolarHBondContact OG-N 2.98Å |
| 379 | K | 44 | Very low | 71.9 | Confident | 111 Ų | 111 | 77.5 Ų | 77.5 | 48% | 0.483 | 50% | 0.502 | S | S | . | . | S | Bend | trans | -107.6 | -0.1 | 178.2 | -78.5 | -175.1 | -179.3 | 169.2 | 0 | 114.4 | S376 A377 K381 L382 | S376-K379 PolarHBondContact O-N 3.19Å; S376-K379 VanDerWaalsContact O-N 3.14Å; A377-K379 VanDerWaalsContact C-N 3.33Å; A377-K379 PolarHBondContact O-N 3.36Å; K379-K381 PolarHBondContact O-N 2.53Å; K379-L382 PolarHBondContact O-N 3.39Å |
| 380 | A | 37.5 | Very low | 70.1 | Confident | 83 Ų | 83 | 76.4 Ų | 76.4 | 69% | 0.686 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.3 | 14.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 381 | K | 31.1 | Very low | 68 | Low | 204 Ų | 204 | 76.7 Ų | 76.7 | 89% | 0.887 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -132 | 21 | -179 | -74.4 | -167.6 | 177.1 | -176.8 | 0 | 113.6 | K379 | K379-K381 PolarHBondContact O-N 2.53Š|
| 382 | L | 33.2 | Very low | 65.5 | Low | 219 Ų | 219 | 80.7 Ų | 80.7 | 100% | 1.147 | 49% | 0.485 | S | S | * | . | trans | -105.1 | 0 | 168.4 | -86.2 | 161.6 | 0 | 0 | 0 | 110.3 | K379 | K379-L382 PolarHBondContact O-N 3.39Š|
Retrieved 382 of 382 residues in 346.3 ms
(Link to these results)