| 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 | 65 | Low | 91.5 | Very high | 138 Ų | 138 | 81.3 Ų | 81.3 | 68% | 0.68 | 42% | 0.422 | S | S | * | . | 0 | 133.8 | 0 | -168 | -173.8 | -150.1 | 0 | 0 | 106.2 | I3 Y78 R81 | M1-I3 HydrophobicContact CG-CG1 4.24Å; M1-I3 PolarHBondContact O-N 3.37Å; M1-I3 VanDerWaalsContact O-N 3.1Å; M1-I3 HydrophobicContact SD-CD1 4.06Å; M1-I3 HydrophobicContact SD-CG1 3.99Å; M1-Y78 HydrophobicContact CE-CD1 3.86Å; M1-Y78 HydrophobicContact CE-CE1 3.21Å; M1-Y78 HydrophobicContact SD-CD1 3.81Å; M1-Y78 HydrophobicContact SD-CE1 3.69Å; M1-R81 PolarHBondContact SD-NH1 2.79Å | |||
| 2 | D | 87.7 | Confident | 91.8 | Very high | 114 Ų | 114 | 75.8 Ų | 75.8 | 61% | 0.61 | 39% | 0.394 | S | S | * | . | trans | -75.7 | 97.8 | 176.3 | -168.7 | 19.2 | 0 | 0 | 0 | 109 | N48 G49 | D2-N48 CarbonylContact O-C 3.57Å; D2-N48 WeakPolarHBondContact O-CA 3.43Å; D2-G49 PolarHBondContact O-N 3.4Å | ||
| 3 | I | 93 | Very high | 91.9 | Very high | 44 Ų | 44 | 70.2 Ų | 70.2 | 23% | 0.226 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 120.7 | 170.5 | -63.7 | -71.1 | 0 | 0 | 0 | 106.2 | M1 A46 V47 N48 V54 Y78 I83 | M1-I3 HydrophobicContact CG-CG1 4.24Å; M1-I3 PolarHBondContact O-N 3.37Å; M1-I3 VanDerWaalsContact O-N 3.1Å; M1-I3 HydrophobicContact SD-CD1 4.06Å; M1-I3 HydrophobicContact SD-CG1 3.99Å; I3-A46 HydrophobicContact CG2-CB 4.03Å; I3-V47 WeakPolarHBondContact CA-O 3.1Å; I3-N48 HydrophobicContact CD1-CB 4.13Å; I3-V54 HydrophobicContact CD1-CG2 3.99Å; I3-Y78 HydrophobicContact CD1-CD1 3.61Å; I3-Y78 HydrophobicContact CD1-CE1 3.65Å; I3-I83 HydrophobicContact CG2-CD1 4.29Å; I3-I83 HydrophobicContact CG2-CG1 4.31Å |
| 4 | R | 94.6 | Very high | 92 | Very high | 127 Ų | 127 | 71.4 Ų | 71.4 | 48% | 0.479 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 130.5 | 175.4 | -178.7 | 175 | 61.2 | 167.3 | -1.9 | 109 | A46 V47 N51 | R4-A46 WeakPolarHBondContact O-CA 3.35Å; R4-V47 HydrophobicContact CB-CG2 4.07Å; R4-V47 PolarHBondContact N-O 2.99Å; R4-V47 PolarHBondContact O-N 2.98Å; R4-N51 PolarHBondContact NH2-OD1 2.93Å |
| 5 | V | 95 | Very high | 92.1 | Very high | 44 Ų | 44 | 69.9 Ų | 69.9 | 27% | 0.267 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 137.4 | 172.1 | 175.5 | 0 | 0 | 0 | 0 | 108.7 | V45 A46 F86 F87 | V5-V45 WeakPolarHBondContact CA-O 3.26Å; V5-A46 HydrophobicContact CG2-CB 4.04Å; V5-F86 HydrophobicContact CB-CB 4.07Å; V5-F86 HydrophobicContact CG1-CB 4.02Å; V5-F86 HydrophobicContact CG2-CB 3.82Å; V5-F86 HydrophobicContact CG2-CD2 4.42Å; V5-F86 HydrophobicContact CG2-CG 4.34Å; V5-F87 HydrophobicContact CG1-CD1 3.89Å; V5-F87 HydrophobicContact CG1-CE1 3.75Å; V5-F87 HydrophobicContact CG2-CE1 4.27Å |
| 6 | R | 95.4 | Very high | 92.2 | Very high | 75 Ų | 75 | 65.6 Ų | 65.6 | 28% | 0.283 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153 | 167.2 | 177.7 | 58.8 | 169 | 178.9 | 78.5 | -0.7 | 110.2 | D12 Q44 V45 | R6-D12 IonicContact CZ-OD1 3.61Å; R6-D12 IonicContact CZ-OD2 3.45Å; R6-D12 IonicContact NH1-OD1 3.08Å; R6-D12 IonicContact NH1-OD2 3.33Å; R6-D12 PolarHBondContact NH1-OD2 3.35Å; R6-D12 IonicContact NH2-OD1 2.7Å; R6-D12 PolarHBondContact NH2-OD1 3.08Å; R6-D12 IonicContact NH2-OD2 3.32Å; R6-D12 PolarHBondContact NH2-OD2 3.24Å; R6-Q44 WeakPolarHBondContact O-CA 3.49Å; R6-V45 HydrophobicContact CG-CG2 3.81Å; R6-V45 PolarHBondContact N-O 2.83Å; R6-V45 PolarHBondContact O-N 3.37Å |
| 7 | D | 95.9 | Very high | 92 | Very high | 89 Ų | 89 | 64.4 Ų | 64.4 | 48% | 0.476 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 143.4 | 167.2 | -62.9 | -13.2 | 0 | 0 | 0 | 109.8 | P42 W43 | D7-P42 HydrophobicContact CB-CB 3.93Å; D7-P42 VanDerWaalsContact CG-CB 3.46Å; D7-W43 CarbonylContact C-O 3.56Å; D7-W43 WeakPolarHBondContact CA-O 3.34Å |
| 8 | A | 96 | Very high | 91.9 | Very high | 11 Ų | 11 | 68.2 Ų | 68.2 | 9% | 0.091 | 36% | 0.36 | C | S | . | . | trans | -75 | 147.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | D12 I16 F36 W43 V45 | A8-D12 VanDerWaalsContact CA-OD2 3.32Å; A8-D12 WeakPolarHBondContact CA-OD2 3.4Å; A8-D12 HydrophobicContact CB-CB 4.47Å; A8-I16 HydrophobicContact CB-CD1 4.45Å; A8-F36 HydrophobicContact CB-CE2 3.98Å; A8-F36 WeakPolarHBondContact O-CZ 3.31Å; A8-W43 HydrophobicContact CB-CB 3.89Å; A8-W43 WeakPolarHBondContact CB-O 3.01Å; A8-W43 PolarHBondContact N-O 3.12Å; A8-V45 HydrophobicContact CB-CG1 3.81Å | ||
| 9 | T | 95.6 | Very high | 91.9 | Very high | 65 Ų | 65 | 65.2 Ų | 65.2 | 40% | 0.399 | 34% | 0.344 | S | S | . | . | trans | -110.6 | 170.2 | 167.2 | 71.3 | 0 | 0 | 0 | 0 | 109.6 | D11 D12 | T9-D11 PolarHBondContact O-N 3.03Å; T9-D11 PolarHBondContact OG1-N 3Å; T9-D12 PolarHBondContact N-OD2 3.19Å; T9-D12 WeakPolarHBondContact O-CB 3.41Å; T9-D12 PolarHBondContact O-N 2.94Å | ||
| 10 | A | 93.3 | Very high | 91.7 | Very high | 47 Ų | 47 | 61.9 Ų | 61.9 | 39% | 0.388 | 33% | 0.327 | S | S | . | . | G | 310 helix | trans | -58.1 | -28 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | D12 I13 F36 | A10-D12 PolarHBondContact O-N 3.25Å; A10-I13 WeakPolarHBondContact O-CB 3.24Å; A10-I13 WeakPolarHBondContact O-CG1 3.49Å; A10-I13 PolarHBondContact O-N 2.73Å; A10-F36 HydrophobicContact CB-CE1 4.22Å |
| 11 | D | 95.2 | Very high | 91.4 | Very high | 140 Ų | 140 | 66 Ų | 66 | 75% | 0.749 | 34% | 0.338 | S | S | * | . | G | 310 helix | trans | -69.9 | -19.1 | 178.2 | -58.7 | -30 | 0 | 0 | 0 | 112.8 | T9 I13 P14 | T9-D11 PolarHBondContact O-N 3.03Å; T9-D11 PolarHBondContact OG1-N 3Å; D11-I13 VanDerWaalsContact C-N 3.34Å; D11-P14 WeakPolarHBondContact O-CD 3.22Å |
| 12 | D | 95.5 | Very high | 92.3 | Very high | 15 Ų | 15 | 65.5 Ų | 65.5 | 8% | 0.08 | 33% | 0.332 | C | S | . | . | G | 310 helix | trans | -78.7 | -19.8 | 175.9 | -65.6 | -55.8 | 0 | 0 | 0 | 112.7 | R6 A8 T9 A10 S15 I16 V45 L53 | R6-D12 IonicContact CZ-OD1 3.61Å; R6-D12 IonicContact CZ-OD2 3.45Å; R6-D12 IonicContact NH1-OD1 3.08Å; R6-D12 IonicContact NH1-OD2 3.33Å; R6-D12 PolarHBondContact NH1-OD2 3.35Å; R6-D12 IonicContact NH2-OD1 2.7Å; R6-D12 PolarHBondContact NH2-OD1 3.08Å; R6-D12 IonicContact NH2-OD2 3.32Å; R6-D12 PolarHBondContact NH2-OD2 3.24Å; A8-D12 VanDerWaalsContact CA-OD2 3.32Å; A8-D12 WeakPolarHBondContact CA-OD2 3.4Å; A8-D12 HydrophobicContact CB-CB 4.47Å; T9-D12 PolarHBondContact N-OD2 3.19Å; T9-D12 WeakPolarHBondContact O-CB 3.41Å; T9-D12 PolarHBondContact O-N 2.94Å; A10-D12 PolarHBondContact O-N 3.25Å; D12-S15 WeakPolarHBondContact O-CA 3.3Å; D12-S15 WeakPolarHBondContact O-CB 3.39Å; D12-S15 PolarHBondContact O-N 3.41Å; D12-I16 HydrophobicContact CB-CD1 4.06Å; D12-I16 HydrophobicContact CB-CG1 4.42Å; D12-I16 WeakPolarHBondContact O-CG1 3.2Å; D12-I16 PolarHBondContact O-N 3.22Å; D12-V45 HydrophobicContact CB-CG1 4.41Å; D12-L53 HydrophobicContact CB-CD1 4.29Å |
| 13 | I | 92.9 | Very high | 91.9 | Very high | 4 Ų | 4 | 62.5 Ų | 62.5 | 2% | 0.021 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -54.5 | -47.3 | -172.8 | -61.9 | -67.7 | 0 | 0 | 0 | 112.1 | A10 D11 S15 I16 E17 F36 W43 | A10-I13 WeakPolarHBondContact O-CB 3.24Å; A10-I13 WeakPolarHBondContact O-CG1 3.49Å; A10-I13 PolarHBondContact O-N 2.73Å; D11-I13 VanDerWaalsContact C-N 3.34Å; I13-S15 VanDerWaalsContact C-N 3.28Å; I13-S15 PolarHBondContact O-N 3.04Å; I13-I16 HydrophobicContact CD1-CD1 4.29Å; I13-I16 WeakPolarHBondContact O-CB 3.27Å; I13-I16 PolarHBondContact O-N 2.63Å; I13-I16 VanDerWaalsContact O-N 3.11Å; I13-E17 HydrophobicContact CG2-CG 4.25Å; I13-E17 WeakPolarHBondContact O-CG 3.41Å; I13-E17 PolarHBondContact O-N 3.06Å; I13-F36 HydrophobicContact CD1-CB 3.73Å; I13-F36 HydrophobicContact CD1-CD1 4.28Å; I13-F36 HydrophobicContact CD1-CD2 3.98Å; I13-F36 HydrophobicContact CD1-CG 3.73Å; I13-F36 HydrophobicContact CG1-CD1 4.5Å; I13-F36 HydrophobicContact CG1-CG 4.42Å; I13-W43 HydrophobicContact CD1-CE3 4.33Å; I13-W43 HydrophobicContact CD1-CZ3 4.02Å |
| 14 | P | 92.5 | Very high | 90.5 | Very high | 86 Ų | 86 | 69.4 Ų | 69.4 | 56% | 0.558 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -57.6 | -38.6 | 175.8 | -25.9 | 35.8 | 0 | 0 | 0 | 113.8 | D11 E17 E18 | D11-P14 WeakPolarHBondContact O-CD 3.22Å; P14-E17 PolarHBondContact O-N 2.99Å; P14-E18 WeakPolarHBondContact O-CB 3.12Å; P14-E18 PolarHBondContact O-N 2.97Å |
| 15 | S | 93.9 | Very high | 89.1 | Confident | 50 Ų | 50 | 67.6 Ų | 67.6 | 35% | 0.35 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -72.4 | -34.6 | 178 | -64.7 | 0 | 0 | 0 | 0 | 112.1 | D12 I13 L19 | D12-S15 WeakPolarHBondContact O-CA 3.3Å; D12-S15 WeakPolarHBondContact O-CB 3.39Å; D12-S15 PolarHBondContact O-N 3.41Å; I13-S15 VanDerWaalsContact C-N 3.28Å; I13-S15 PolarHBondContact O-N 3.04Å; S15-L19 WeakPolarHBondContact O-CB 3.22Å; S15-L19 PolarHBondContact O-N 3.02Å |
| 16 | I | 93 | Very high | 87.2 | Confident | 0 Ų | 0 | 69.2 Ų | 69.2 | 0% | 0 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -63.8 | -46.4 | 172.9 | -69.5 | 172.2 | 0 | 0 | 0 | 109.8 | A8 D12 I13 L19 A20 Y32 W43 V45 L53 F56 | A8-I16 HydrophobicContact CB-CD1 4.45Å; D12-I16 HydrophobicContact CB-CD1 4.06Å; D12-I16 HydrophobicContact CB-CG1 4.42Å; D12-I16 WeakPolarHBondContact O-CG1 3.2Å; D12-I16 PolarHBondContact O-N 3.22Å; I13-I16 HydrophobicContact CD1-CD1 4.29Å; I13-I16 WeakPolarHBondContact O-CB 3.27Å; I13-I16 PolarHBondContact O-N 2.63Å; I13-I16 VanDerWaalsContact O-N 3.11Å; I16-L19 PolarHBondContact O-N 2.86Å; I16-A20 WeakPolarHBondContact O-CB 3.24Å; I16-A20 PolarHBondContact O-N 3.15Å; I16-Y32 HydrophobicContact CG2-CD2 3.66Å; I16-Y32 HydrophobicContact CG2-CE2 3.65Å; I16-W43 HydrophobicContact CD1-CE3 4.15Å; I16-W43 HydrophobicContact CG2-CZ3 4.44Å; I16-V45 HydrophobicContact CD1-CG1 4.01Å; I16-V45 HydrophobicContact CG1-CG1 4.3Å; I16-L53 HydrophobicContact CD1-CD1 4.42Å; I16-L53 HydrophobicContact CG1-CD1 3.5Å; I16-F56 HydrophobicContact CB-CD1 4.42Å; I16-F56 HydrophobicContact CD1-CB 4.49Å; I16-F56 HydrophobicContact CG1-CB 4.25Å; I16-F56 HydrophobicContact CG1-CD1 4.33Å; I16-F56 HydrophobicContact CG1-CG 4.21Å; I16-F56 HydrophobicContact CG2-CD1 3.85Å; I16-F56 HydrophobicContact CG2-CD2 3.89Å; I16-F56 HydrophobicContact CG2-CE1 3.71Å; I16-F56 HydrophobicContact CG2-CE2 3.76Å; I16-F56 HydrophobicContact CG2-CG 3.93Å; I16-F56 HydrophobicContact CG2-CZ 3.67Å |
| 17 | E | 89.8 | Confident | 85.2 | Confident | 46 Ų | 46 | 66.9 Ų | 66.9 | 22% | 0.215 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -61.9 | -43.4 | 176.9 | -68.5 | -175.2 | -175.2 | 0 | 0 | 112 | I13 P14 A20 R21 I29 Y32 | I13-E17 HydrophobicContact CG2-CG 4.25Å; I13-E17 WeakPolarHBondContact O-CG 3.41Å; I13-E17 PolarHBondContact O-N 3.06Å; P14-E17 PolarHBondContact O-N 2.99Å; E17-A20 PolarHBondContact O-N 3.45Å; E17-R21 VanDerWaalsContact O-CB 3.26Å; E17-R21 WeakPolarHBondContact O-CB 3.49Å; E17-R21 PolarHBondContact O-N 2.7Å; E17-I29 HydrophobicContact CB-CG2 3.65Å; E17-I29 HydrophobicContact CG-CG2 3.59Å; E17-Y32 HydrophobicContact CG-CD2 3.9Å; E17-Y32 HydrophobicContact CG-CG 4.43Å |
| 18 | E | 90.6 | Very high | 83.8 | Confident | 132 Ų | 132 | 62.6 Ų | 62.6 | 62% | 0.617 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -61.8 | -46.2 | 176.2 | -172.2 | -175.5 | 166.5 | 0 | 0 | 111.2 | P14 A20 R21 K22 | P14-E18 WeakPolarHBondContact O-CB 3.12Å; P14-E18 PolarHBondContact O-N 2.97Å; E18-A20 PolarHBondContact O-N 2.89Å; E18-R21 PolarHBondContact O-N 3.17Å; E18-K22 VanDerWaalsContact O-CB 3.26Å; E18-K22 WeakPolarHBondContact O-CB 3.42Å; E18-K22 PolarHBondContact O-N 3.35Å |
| 19 | L | 91.1 | Very high | 82.3 | Confident | 11 Ų | 11 | 62.3 Ų | 62.3 | 6% | 0.058 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -61.4 | -45.4 | 177.7 | -166.9 | 77.7 | 0 | 0 | 0 | 111.3 | S15 I16 K22 F23 L53 F56 I73 N75 | S15-L19 WeakPolarHBondContact O-CB 3.22Å; S15-L19 PolarHBondContact O-N 3.02Å; I16-L19 PolarHBondContact O-N 2.86Å; L19-K22 PolarHBondContact O-N 3.04Å; L19-F23 HydrophobicContact CD1-CD2 4.1Å; L19-F23 HydrophobicContact CD1-CE2 3.6Å; L19-F23 HydrophobicContact CG-CD2 4.1Å; L19-F23 HydrophobicContact CG-CE2 4.12Å; L19-F23 VanDerWaalsContact O-CD2 3.26Å; L19-F23 WeakPolarHBondContact O-CD2 3.16Å; L19-F23 PolarHBondContact O-N 3.12Å; L19-L53 HydrophobicContact CB-CD2 4.33Å; L19-L53 HydrophobicContact CD2-CD2 3.67Å; L19-L53 HydrophobicContact CG-CD2 4.48Å; L19-F56 HydrophobicContact CD2-CD1 3.87Å; L19-F56 HydrophobicContact CD2-CE1 4.18Å; L19-I73 HydrophobicContact CD2-CB 4.41Å; L19-I73 HydrophobicContact CD2-CG2 3.95Å; L19-I73 HydrophobicContact CG-CG2 4.16Å; L19-N75 HydrophobicContact CD1-CB 4.34Å |
| 20 | A | 88 | Confident | 81.2 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -61 | -48.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | I16 E17 E18 K22 F23 F24 F25 I29 Y32 F56 I73 | I16-A20 WeakPolarHBondContact O-CB 3.24Å; I16-A20 PolarHBondContact O-N 3.15Å; E17-A20 PolarHBondContact O-N 3.45Å; E18-A20 PolarHBondContact O-N 2.89Å; A20-K22 PolarHBondContact O-N 3.36Å; A20-F23 CarbonylContact O-C 3.57Å; A20-F23 PolarHBondContact O-N 3.48Å; A20-F24 PolarHBondContact O-N 3.39Å; A20-F25 HydrophobicContact CB-CB 4.17Å; A20-F25 PolarHBondContact O-N 3.12Å; A20-I29 HydrophobicContact CB-CD1 3.7Å; A20-I29 HydrophobicContact CB-CG1 4.12Å; A20-Y32 HydrophobicContact CB-CE2 4.23Å; A20-F56 HydrophobicContact CB-CE1 4.48Å; A20-F56 HydrophobicContact CB-CZ 4.42Å; A20-I73 HydrophobicContact CB-CD1 3.8Å |
| 21 | R | 85 | Confident | 80.7 | Confident | 149 Ų | 149 | 59.9 Ų | 59.9 | 56% | 0.562 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -60.6 | -43.3 | 177.8 | -168.5 | -174.2 | -53.6 | -83.9 | -1.5 | 112 | E17 E18 F23 F24 I29 | E17-R21 VanDerWaalsContact O-CB 3.26Å; E17-R21 WeakPolarHBondContact O-CB 3.49Å; E17-R21 PolarHBondContact O-N 2.7Å; E18-R21 PolarHBondContact O-N 3.17Å; R21-F23 VanDerWaalsContact C-N 3.27Å; R21-F23 PolarHBondContact O-N 3.42Å; R21-F24 PolarHBondContact O-N 3.45Å; R21-F24 VanDerWaalsContact O-N 3.13Å; R21-I29 HydrophobicContact CB-CD1 4.1Å |
| 22 | K | 85 | Confident | 80.3 | Confident | 126 Ų | 126 | 53.2 Ų | 53.2 | 55% | 0.548 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -61.2 | -34.3 | 179.6 | -178.5 | 173.5 | -174.8 | 165.9 | 0 | 113 | E18 L19 A20 F24 | E18-K22 VanDerWaalsContact O-CB 3.26Å; E18-K22 WeakPolarHBondContact O-CB 3.42Å; E18-K22 PolarHBondContact O-N 3.35Å; L19-K22 PolarHBondContact O-N 3.04Å; A20-K22 PolarHBondContact O-N 3.36Å; K22-F24 VanDerWaalsContact C-N 3.35Å |
| 23 | F | 78.9 | Confident | 80 | Confident | 52 Ų | 52 | 56.4 Ų | 56.4 | 23% | 0.228 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.1 | 26.8 | 177.7 | -61.9 | -61.8 | 0 | 0 | 0 | 113 | L19 A20 R21 F25 I73 N75 P76 | L19-F23 HydrophobicContact CD1-CD2 4.1Å; L19-F23 HydrophobicContact CD1-CE2 3.6Å; L19-F23 HydrophobicContact CG-CD2 4.1Å; L19-F23 HydrophobicContact CG-CE2 4.12Å; L19-F23 VanDerWaalsContact O-CD2 3.26Å; L19-F23 WeakPolarHBondContact O-CD2 3.16Å; L19-F23 PolarHBondContact O-N 3.12Å; A20-F23 CarbonylContact O-C 3.57Å; A20-F23 PolarHBondContact O-N 3.48Å; R21-F23 VanDerWaalsContact C-N 3.27Å; R21-F23 PolarHBondContact O-N 3.42Å; F23-F25 PolarHBondContact O-N 3.05Å; F23-I73 HydrophobicContact CB-CG2 4.39Å; F23-I73 HydrophobicContact CD2-CG2 3.98Å; F23-N75 HydrophobicContact CE2-CB 3.96Å; F23-N75 HydrophobicContact CZ-CB 4.07Å; F23-P76 HydrophobicContact CD1-CG 4.21Å; F23-P76 HydrophobicContact CE1-CG 3.71Å; F23-P76 HydrophobicContact CZ-CG 4.25Å |
| 24 | F | 64.4 | Low | 79.9 | Confident | 189 Ų | 189 | 57.2 Ų | 57.2 | 83% | 0.829 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.5 | 26.6 | 170.9 | -54.7 | -78.6 | 0 | 0 | 0 | 115.2 | A20 R21 K22 S26 | A20-F24 PolarHBondContact O-N 3.39Å; R21-F24 PolarHBondContact O-N 3.45Å; R21-F24 VanDerWaalsContact O-N 3.13Å; K22-F24 VanDerWaalsContact C-N 3.35Å; F24-S26 PolarHBondContact O-N 3.3Å |
| 25 | F | 65 | Low | 79.6 | Confident | 89 Ų | 89 | 53.1 Ų | 53.1 | 39% | 0.39 | 26% | 0.257 | S | S | . | . | trans | -77.2 | 115.7 | 158.2 | -73.5 | -94.4 | 0 | 0 | 0 | 106.5 | A20 F23 I29 Q71 I73 | A20-F25 HydrophobicContact CB-CB 4.17Å; A20-F25 PolarHBondContact O-N 3.12Å; F23-F25 PolarHBondContact O-N 3.05Å; F25-I29 WeakPolarHBondContact O-CD1 3.47Å; F25-Q71 HydrophobicContact CD1-CG 4.37Å; F25-Q71 HydrophobicContact CE1-CG 4.45Å; F25-I73 HydrophobicContact CB-CD1 4.04Å; F25-I73 HydrophobicContact CD1-CD1 4.2Å; F25-I73 HydrophobicContact CD2-CD1 3.17Å; F25-I73 HydrophobicContact CD2-CG1 3.85Å; F25-I73 HydrophobicContact CE2-CD1 3.53Å; F25-I73 HydrophobicContact CE2-CG1 3.63Å; F25-I73 HydrophobicContact CG-CD1 3.53Å; F25-I73 HydrophobicContact CG-CG1 4.42Å; F25-I73 HydrophobicContact CZ-CD1 4.19Å; F25-I73 HydrophobicContact CZ-CG1 4.07Å | ||
| 26 | S | 53.6 | Low | 79.5 | Confident | 77 Ų | 77 | 52.8 Ų | 52.8 | 54% | 0.538 | 25% | 0.25 | S | C | . | . | trans | -107.6 | -19 | -173.2 | 56 | 0 | 0 | 0 | 0 | 113.4 | F24 | F24-S26 PolarHBondContact O-N 3.3Š| ||
| 27 | V | 55.1 | Low | 79.4 | Confident | 26 Ų | 26 | 57.5 Ų | 57.5 | 16% | 0.158 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -99.8 | 134.9 | -167.8 | -135.4 | 0 | 0 | 0 | 0 | 110.8 | I29 Y70 E120 Y201 D283 | V27-I29 PolarHBondContact O-N 2.95Å; V27-I29 VanDerWaalsContact O-N 3.15Å; V27-Y70 PolarHBondContact O-OH 2.86Å; V27-Y70 VanDerWaalsContact O-OH 3.1Å; V27-E120 WeakPolarHBondContact CG1-OE2 3.46Å; V27-E120 WeakPolarHBondContact CG2-OE2 3.49Å; V27-Y201 WeakPolarHBondContact CA-OH 3.37Å; V27-Y201 HydrophobicContact CG1-CE2 4.29Å; V27-D283 HydrophobicContact CB-CB 4.46Å; V27-D283 HydrophobicContact CG1-CB 4.44Å; V27-D283 VanDerWaalsContact CG1-OD1 3.25Å; V27-D283 WeakPolarHBondContact CG1-OD1 3.32Å; V27-D283 WeakPolarHBondContact CG1-OD2 3.43Å |
| 28 | G | 65.2 | Low | 79.4 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 27% | 0.268 | C | S | . | . | S | Bend | trans | 77.2 | -7.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | P30 N31 Y32 Y201 D283 | G28-P30 VanDerWaalsContact C-CD 3.46Å; G28-P30 VanDerWaalsContact C-N 3.34Å; G28-N31 WeakPolarHBondContact O-CA 3.47Å; G28-N31 WeakPolarHBondContact O-CB 3.4Å; G28-N31 PolarHBondContact O-N 2.94Å; G28-Y32 WeakPolarHBondContact O-CD1 3.44Å; G28-Y201 PolarHBondContact N-OH 2.89Å; G28-D283 WeakPolarHBondContact CA-OD2 3.38Å; G28-D283 PolarHBondContact N-OD2 2.97Å; G28-D283 VanDerWaalsContact N-OD2 3.15Å |
| 29 | I | 65 | Low | 79.3 | Confident | 4 Ų | 4 | 50.2 Ų | 50.2 | 2% | 0.021 | 24% | 0.24 | C | C | . | . | G | 310 helix | trans | -44.8 | -51.1 | -179 | -71 | -177.1 | 0 | 0 | 0 | 112.9 | E17 A20 R21 F25 V27 N31 Y32 | E17-I29 HydrophobicContact CB-CG2 3.65Å; E17-I29 HydrophobicContact CG-CG2 3.59Å; A20-I29 HydrophobicContact CB-CD1 3.7Å; A20-I29 HydrophobicContact CB-CG1 4.12Å; R21-I29 HydrophobicContact CB-CD1 4.1Å; F25-I29 WeakPolarHBondContact O-CD1 3.47Å; V27-I29 PolarHBondContact O-N 2.95Å; V27-I29 VanDerWaalsContact O-N 3.15Å; I29-N31 PolarHBondContact O-N 2.9Å; I29-Y32 VanDerWaalsContact CA-CE1 3.47Å; I29-Y32 HydrophobicContact CB-CE1 4.48Å; I29-Y32 HydrophobicContact CG1-CE1 4.27Å; I29-Y32 HydrophobicContact CG1-CE2 4.35Å; I29-Y32 WeakPolarHBondContact O-CB 3.48Å; I29-Y32 WeakPolarHBondContact O-CD1 3.16Å; I29-Y32 VanDerWaalsContact O-CG 3.31Å; I29-Y32 PolarHBondContact O-N 3.48Å |
| 30 | P | 73.1 | Confident | 79 | Confident | 58 Ų | 58 | 53.1 Ų | 53.1 | 38% | 0.377 | 27% | 0.272 | S | S | . | . | G | 310 helix | trans | -65.7 | -11.9 | -177.8 | -21.3 | 35.4 | 0 | 0 | 0 | 114.6 | G28 C198 | G28-P30 VanDerWaalsContact C-CD 3.46Å; G28-P30 VanDerWaalsContact C-N 3.34Å; P30-C198 HydrophobicContact CG-CB 4.11Å; P30-C198 WeakPolarHBondContact CG-O 3.37Å |
| 31 | N | 82.8 | Confident | 79 | Confident | 3 Ų | 3 | 55.2 Ų | 55.2 | 2% | 0.016 | 28% | 0.284 | C | S | . | . | G | 310 helix | trans | -98.9 | 2.2 | 179.1 | -59.1 | -54.7 | 0 | 0 | 0 | 112.6 | G28 I29 Q33 I34 H35 W171 R196 C198 | G28-N31 WeakPolarHBondContact O-CA 3.47Å; G28-N31 WeakPolarHBondContact O-CB 3.4Å; G28-N31 PolarHBondContact O-N 2.94Å; I29-N31 PolarHBondContact O-N 2.9Å; N31-Q33 PolarHBondContact O-N 2.87Å; N31-Q33 VanDerWaalsContact O-N 3.08Å; N31-I34 WeakPolarHBondContact O-CB 3.32Å; N31-I34 PolarHBondContact O-N 3.47Å; N31-H35 PolarHBondContact O-CD2 2.84Å; N31-H35 PolarHBondContact O-N 3.02Å; N31-W171 HydrophobicContact CB-CH2 4.46Å; N31-W171 HydrophobicContact CB-CZ3 3.68Å; N31-W171 VanDerWaalsContact CG-CZ3 3.46Å; N31-W171 WeakPolarHBondContact ND2-CH2 3.47Å; N31-W171 WeakPolarHBondContact ND2-CZ3 3.43Å; N31-R196 PolarHBondContact OD1-NE 2.79Å; N31-C198 PolarHBondContact ND2-SG 3.15Å; N31-C198 VanDerWaalsContact ND2-SG 3.35Å |
| 32 | Y | 87.1 | Confident | 79.2 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -55.3 | -33.2 | -176.5 | -80.2 | 14.7 | 0 | 0 | 0 | 112.6 | I16 E17 A20 G28 I29 I34 H35 F36 W43 Y70 Q71 Y284 | I16-Y32 HydrophobicContact CG2-CD2 3.66Å; I16-Y32 HydrophobicContact CG2-CE2 3.65Å; E17-Y32 HydrophobicContact CG-CD2 3.9Å; E17-Y32 HydrophobicContact CG-CG 4.43Å; A20-Y32 HydrophobicContact CB-CE2 4.23Å; G28-Y32 WeakPolarHBondContact O-CD1 3.44Å; I29-Y32 VanDerWaalsContact CA-CE1 3.47Å; I29-Y32 HydrophobicContact CB-CE1 4.48Å; I29-Y32 HydrophobicContact CG1-CE1 4.27Å; I29-Y32 HydrophobicContact CG1-CE2 4.35Å; I29-Y32 WeakPolarHBondContact O-CB 3.48Å; I29-Y32 WeakPolarHBondContact O-CD1 3.16Å; I29-Y32 VanDerWaalsContact O-CG 3.31Å; I29-Y32 PolarHBondContact O-N 3.48Å; Y32-I34 PolarHBondContact O-N 2.9Å; Y32-H35 PolarHBondContact O-N 3.34Å; Y32-F36 WeakPolarHBondContact O-CB 3.3Å; Y32-F36 PolarHBondContact O-N 3.06Å; Y32-W43 HydrophobicContact CD2-CZ3 4.39Å; Y32-W43 HydrophobicContact CG-CH2 4.3Å; Y32-W43 HydrophobicContact CG-CZ3 4.47Å; Y32-Y70 AromaticContact CE1-CE1 3.69Å; Y32-Y70 HydrophobicContact CE1-CE1 3.69Å; Y32-Y70 AromaticContact CZ-CE1 3.91Å; Y32-Q71 PolarHBondContact OH-NE2 2.89Å; Y32-Q71 PolarHBondContact OH-OE1 3.47Å; Y32-Y284 HydrophobicContact CD1-CE2 4.21Å; Y32-Y284 WeakPolarHBondContact CD1-OH 3.32Å; Y32-Y284 HydrophobicContact CE1-CE2 4.09Å; Y32-Y284 WeakPolarHBondContact CE1-OH 3.43Å |
| 33 | Q | 89 | Confident | 79.6 | Confident | 82 Ų | 82 | 45.3 Ų | 45.3 | 38% | 0.383 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -59.8 | -43.1 | 174.4 | -167.1 | 70 | -7.3 | 0 | 0 | 112.9 | N31 Q37 | N31-Q33 PolarHBondContact O-N 2.87Å; N31-Q33 VanDerWaalsContact O-N 3.08Å; Q33-Q37 WeakPolarHBondContact O-CB 3.22Å; Q33-Q37 WeakPolarHBondContact O-CG 3.16Å; Q33-Q37 PolarHBondContact O-N 3.37Å; Q33-Q37 VanDerWaalsContact O-N 3.11Å |
| 34 | I | 89.1 | Confident | 80.4 | Confident | 21 Ų | 21 | 44.2 Ų | 44.2 | 11% | 0.108 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -66.3 | -45.3 | 178.1 | -66.4 | 171.9 | 0 | 0 | 0 | 109.7 | N31 Y32 Q37 C38 F167 K170 | N31-I34 WeakPolarHBondContact O-CB 3.32Å; N31-I34 PolarHBondContact O-N 3.47Å; Y32-I34 PolarHBondContact O-N 2.9Å; I34-Q37 PolarHBondContact O-N 2.81Å; I34-C38 PolarHBondContact O-N 2.95Å; I34-C38 VanDerWaalsContact O-N 3.09Å; I34-C38 PolarHBondContact O-SG 3.01Å; I34-F167 HydrophobicContact CG2-CD2 3.67Å; I34-F167 HydrophobicContact CG2-CE2 3.65Å; I34-K170 HydrophobicContact CG2-CB 3.89Å; I34-K170 HydrophobicContact CG2-CD 4.42Å |
| 35 | H | 88 | Confident | 81.9 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -64.9 | -47 | -178.9 | -64.1 | -62.6 | 0 | 0 | 0 | 112.2 | N31 Y32 Q37 C38 A39 W43 H60 F167 W171 Y284 | N31-H35 PolarHBondContact O-CD2 2.84Å; N31-H35 PolarHBondContact O-N 3.02Å; Y32-H35 PolarHBondContact O-N 3.34Å; H35-Q37 VanDerWaalsContact C-N 3.29Å; H35-Q37 PolarHBondContact O-N 3.03Å; H35-C38 CarbonylContact O-C 3.53Å; H35-C38 PolarHBondContact O-N 3.2Å; H35-A39 PolarHBondContact O-N 3.1Å; H35-W43 HydrophobicContact CB-CH2 4.19Å; H35-W43 HydrophobicContact CB-CZ2 3.85Å; H35-H60 PolarHBondContact O-NE2 2.68Å; H35-F167 AromaticContact CE1-CE2 3.15Å; H35-F167 WeakPolarHBondContact CE1-CE2 3.26Å; H35-F167 AromaticContact CE1-CZ 3.56Å; H35-F167 AromaticContact ND1-CE2 3.35Å; H35-F167 WeakPolarHBondContact ND1-CE2 3.4Å; H35-W171 AromaticContact NE2-CZ3 3.7Å; H35-Y284 HydrophobicContact CB-CD1 3.83Å; H35-Y284 HydrophobicContact CB-CE1 3.29Å; H35-Y284 HydrophobicContact CB-CE2 4.38Å; H35-Y284 AromaticContact CD2-CD1 3.86Å; H35-Y284 AromaticContact CD2-CD2 3.37Å; H35-Y284 WeakPolarHBondContact CD2-CD2 3.48Å; H35-Y284 AromaticContact CD2-CE1 3.6Å; H35-Y284 AromaticContact CD2-CE2 3.05Å; H35-Y284 WeakPolarHBondContact CD2-CE2 3.5Å; H35-Y284 AromaticContact CD2-CG 3.72Å; H35-Y284 AromaticContact CD2-CZ 3.16Å; H35-Y284 WeakPolarHBondContact CE1-CB 3.42Å; H35-Y284 AromaticContact CE1-CD1 3.55Å; H35-Y284 AromaticContact CE1-CD2 3.19Å; H35-Y284 WeakPolarHBondContact CE1-CD2 3.32Å; H35-Y284 AromaticContact CE1-CE2 3.78Å; H35-Y284 AromaticContact CE1-CG 3.01Å; H35-Y284 AromaticContact CG-CD1 3.32Å; H35-Y284 AromaticContact CG-CD2 3.74Å; H35-Y284 AromaticContact CG-CE1 3.15Å; H35-Y284 AromaticContact CG-CE2 3.58Å; H35-Y284 AromaticContact CG-CG 3.58Å; H35-Y284 AromaticContact CG-CZ 3.25Å; H35-Y284 AromaticContact ND1-CD1 3.1Å; H35-Y284 WeakPolarHBondContact ND1-CD1 3.39Å; H35-Y284 AromaticContact ND1-CD2 3.64Å; H35-Y284 AromaticContact ND1-CE1 3.52Å; H35-Y284 AromaticContact ND1-CE2 3.99Å; H35-Y284 AromaticContact ND1-CG 3.14Å; H35-Y284 AromaticContact ND1-CZ 3.91Å; H35-Y284 AromaticContact NE2-CD2 3.03Å; H35-Y284 WeakPolarHBondContact NE2-CD2 3.42Å; H35-Y284 AromaticContact NE2-CE2 3.25Å; H35-Y284 WeakPolarHBondContact NE2-CE2 3.41Å; H35-Y284 AromaticContact NE2-CG 3.42Å; H35-Y284 AromaticContact NE2-CZ 3.82Å |
| 36 | F | 90.9 | Very high | 83.5 | Confident | 44 Ų | 44 | 31 Ų | 31 | 19% | 0.193 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -57 | -42.8 | 175.3 | -177.4 | -104.2 | 0 | 0 | 0 | 111.9 | A8 A10 I13 Y32 C38 A39 W43 | A8-F36 HydrophobicContact CB-CE2 3.98Å; A8-F36 WeakPolarHBondContact O-CZ 3.31Å; A10-F36 HydrophobicContact CB-CE1 4.22Å; I13-F36 HydrophobicContact CD1-CB 3.73Å; I13-F36 HydrophobicContact CD1-CD1 4.28Å; I13-F36 HydrophobicContact CD1-CD2 3.98Å; I13-F36 HydrophobicContact CD1-CG 3.73Å; I13-F36 HydrophobicContact CG1-CD1 4.5Å; I13-F36 HydrophobicContact CG1-CG 4.42Å; Y32-F36 WeakPolarHBondContact O-CB 3.3Å; Y32-F36 PolarHBondContact O-N 3.06Å; F36-C38 VanDerWaalsContact C-N 3.26Å; F36-C38 PolarHBondContact O-N 3.43Å; F36-A39 WeakPolarHBondContact O-CB 3.38Å; F36-A39 PolarHBondContact O-N 3.38Å; F36-W43 HydrophobicContact CB-CH2 4.32Å; F36-W43 HydrophobicContact CB-CZ2 4.35Å; F36-W43 HydrophobicContact CB-CZ3 4.43Å; F36-W43 HydrophobicContact CD2-CB 4.17Å; F36-W43 AromaticContact CD2-CD2 3.78Å; F36-W43 HydrophobicContact CD2-CD2 3.78Å; F36-W43 AromaticContact CD2-CE3 3.91Å; F36-W43 HydrophobicContact CD2-CE3 3.91Å; F36-W43 AromaticContact CD2-CG 3.91Å; F36-W43 HydrophobicContact CD2-CG 3.91Å; F36-W43 HydrophobicContact CE2-CB 4.13Å; F36-W43 HydrophobicContact CE2-CG 4.33Å |
| 37 | Q | 90.4 | Very high | 85.5 | Confident | 98 Ų | 98 | 27.4 Ų | 27.4 | 46% | 0.458 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -65.8 | -26.2 | 176 | -73.3 | 173.1 | 8.9 | 0 | 0 | 113.8 | Q33 I34 H35 | Q33-Q37 WeakPolarHBondContact O-CB 3.22Å; Q33-Q37 WeakPolarHBondContact O-CG 3.16Å; Q33-Q37 PolarHBondContact O-N 3.37Å; Q33-Q37 VanDerWaalsContact O-N 3.11Å; I34-Q37 PolarHBondContact O-N 2.81Å; H35-Q37 VanDerWaalsContact C-N 3.29Å; H35-Q37 PolarHBondContact O-N 3.03Å |
| 38 | C | 89.7 | Confident | 87.4 | Confident | 23 Ų | 23 | 26.7 Ų | 26.7 | 16% | 0.155 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.3 | 6.7 | -178.1 | -55.4 | 0 | 0 | 0 | 0 | 113.1 | I34 H35 F36 G40 F167 | I34-C38 PolarHBondContact O-N 2.95Å; I34-C38 VanDerWaalsContact O-N 3.09Å; I34-C38 PolarHBondContact O-SG 3.01Å; H35-C38 CarbonylContact O-C 3.53Å; H35-C38 PolarHBondContact O-N 3.2Å; F36-C38 VanDerWaalsContact C-N 3.26Å; F36-C38 PolarHBondContact O-N 3.43Å; C38-G40 VanDerWaalsContact C-N 3.31Å; C38-G40 PolarHBondContact O-N 3.23Å; C38-F167 HydrophobicContact CB-CB 4.08Å; C38-F167 HydrophobicContact CB-CD2 4.4Å |
| 39 | A | 88.7 | Confident | 88.8 | Confident | 3 Ų | 3 | 29 Ų | 29 | 3% | 0.025 | 18% | 0.182 | C | C | . | . | trans | -64.1 | -32.8 | -168.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | H35 F36 L41 H60 G61 | H35-A39 PolarHBondContact O-N 3.1Å; F36-A39 WeakPolarHBondContact O-CB 3.38Å; F36-A39 PolarHBondContact O-N 3.38Å; A39-L41 VanDerWaalsContact CB-O 3.31Å; A39-L41 WeakPolarHBondContact CB-O 3.41Å; A39-L41 PolarHBondContact O-N 2.94Å; A39-H60 CarbonylContact O-C 3.47Å; A39-H60 WeakPolarHBondContact O-CA 3.37Å; A39-G61 PolarHBondContact O-N 3.13Å | ||
| 40 | G | 86.3 | Confident | 90.2 | Very high | 71 Ų | 71 | 35 Ų | 35 | 73% | 0.732 | 22% | 0.215 | S | C | * | . | S | Bend | trans | 65.6 | -13.2 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115 | C38 | C38-G40 VanDerWaalsContact C-N 3.31Å; C38-G40 PolarHBondContact O-N 3.23Å |
| 41 | L | 86.7 | Confident | 91.1 | Very high | 45 Ų | 45 | 37.2 Ų | 37.2 | 24% | 0.236 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -130.3 | 149.3 | 169.9 | -71.6 | 173.8 | 0 | 0 | 0 | 108.9 | A39 W43 | A39-L41 VanDerWaalsContact CB-O 3.31Å; A39-L41 WeakPolarHBondContact CB-O 3.41Å; A39-L41 PolarHBondContact O-N 2.94Å; L41-W43 PolarHBondContact O-N 2.98Å |
| 42 | P | 89.1 | Confident | 91.7 | Very high | 65 Ų | 65 | 42.3 Ų | 42.3 | 42% | 0.422 | 25% | 0.247 | S | C | . | . | trans | -64.1 | 127.9 | 174.2 | 26.8 | -32.5 | 0 | 0 | 0 | 109.7 | D7 | D7-P42 HydrophobicContact CB-CB 3.93Å; D7-P42 VanDerWaalsContact CG-CB 3.46Å | ||
| 43 | W | 93.7 | Very high | 92.1 | Very high | 1 Ų | 1 | 43.4 Ų | 43.4 | 0% | 0.004 | 25% | 0.253 | C | S | . | . | trans | -65.4 | 153.4 | 158.7 | -70.3 | 15.7 | 0 | 0 | 0 | 108.6 | D7 A8 I13 I16 Y32 H35 F36 L41 N57 A58 N59 H60 Y284 | D7-W43 CarbonylContact C-O 3.56Å; D7-W43 WeakPolarHBondContact CA-O 3.34Å; A8-W43 HydrophobicContact CB-CB 3.89Å; A8-W43 WeakPolarHBondContact CB-O 3.01Å; A8-W43 PolarHBondContact N-O 3.12Å; I13-W43 HydrophobicContact CD1-CE3 4.33Å; I13-W43 HydrophobicContact CD1-CZ3 4.02Å; I16-W43 HydrophobicContact CD1-CE3 4.15Å; I16-W43 HydrophobicContact CG2-CZ3 4.44Å; Y32-W43 HydrophobicContact CD2-CZ3 4.39Å; Y32-W43 HydrophobicContact CG-CH2 4.3Å; Y32-W43 HydrophobicContact CG-CZ3 4.47Å; H35-W43 HydrophobicContact CB-CH2 4.19Å; H35-W43 HydrophobicContact CB-CZ2 3.85Å; F36-W43 HydrophobicContact CB-CH2 4.32Å; F36-W43 HydrophobicContact CB-CZ2 4.35Å; F36-W43 HydrophobicContact CB-CZ3 4.43Å; F36-W43 HydrophobicContact CD2-CB 4.17Å; F36-W43 AromaticContact CD2-CD2 3.78Å; F36-W43 HydrophobicContact CD2-CD2 3.78Å; F36-W43 AromaticContact CD2-CE3 3.91Å; F36-W43 HydrophobicContact CD2-CE3 3.91Å; F36-W43 AromaticContact CD2-CG 3.91Å; F36-W43 HydrophobicContact CD2-CG 3.91Å; F36-W43 HydrophobicContact CE2-CB 4.13Å; F36-W43 HydrophobicContact CE2-CG 4.33Å; L41-W43 PolarHBondContact O-N 2.98Å; W43-N57 WeakPolarHBondContact CA-O 3.23Å; W43-A58 HydrophobicContact CD2-CB 3.6Å; W43-A58 HydrophobicContact CE3-CB 3.86Å; W43-A58 HydrophobicContact CG-CB 4.18Å; W43-A58 HydrophobicContact CH2-CB 4.01Å; W43-A58 HydrophobicContact CZ2-CB 3.77Å; W43-A58 HydrophobicContact CZ3-CB 4.05Å; W43-N59 VanDerWaalsContact CD1-O 3.27Å; W43-N59 PolarHBondContact NE1-O 2.83Å; W43-N59 VanDerWaalsContact NE1-O 3.15Å; W43-H60 AromaticContact CZ2-CE1 3.74Å; W43-H60 AromaticContact NE1-CE1 3.71Å; W43-Y284 HydrophobicContact CZ2-CE1 4.27Å | ||
| 44 | Q | 95.3 | Very high | 92.4 | Very high | 29 Ų | 29 | 39.6 Ų | 39.6 | 14% | 0.136 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 142.5 | -176.9 | -63.5 | 168.6 | -54.1 | 0 | 0 | 110.2 | R6 F56 N57 F87 | R6-Q44 WeakPolarHBondContact O-CA 3.49Å; Q44-F56 CarbonylContact O-C 3.55Å; Q44-F56 WeakPolarHBondContact O-CA 3.43Å; Q44-F56 WeakPolarHBondContact O-CB 3.44Å; Q44-N57 PolarHBondContact N-O 3.5Å; Q44-N57 PolarHBondContact O-N 2.78Å; Q44-F87 HydrophobicContact CB-CD1 3.59Å; Q44-F87 HydrophobicContact CB-CE1 3.83Å; Q44-F87 HydrophobicContact CB-CG 4.49Å |
| 45 | V | 96.7 | Very high | 92.7 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 149 | 177.6 | -65.4 | 0 | 0 | 0 | 0 | 110.3 | V5 R6 A8 D12 I16 L53 A55 F56 | V5-V45 WeakPolarHBondContact CA-O 3.26Å; R6-V45 HydrophobicContact CG-CG2 3.81Å; R6-V45 PolarHBondContact N-O 2.83Å; R6-V45 PolarHBondContact O-N 3.37Å; A8-V45 HydrophobicContact CB-CG1 3.81Å; D12-V45 HydrophobicContact CB-CG1 4.41Å; I16-V45 HydrophobicContact CD1-CG1 4.01Å; I16-V45 HydrophobicContact CG1-CG1 4.3Å; V45-L53 HydrophobicContact CB-CD1 4.11Å; V45-L53 HydrophobicContact CB-CG 4.32Å; V45-L53 HydrophobicContact CG1-CD1 3.62Å; V45-L53 HydrophobicContact CG1-CG 4.28Å; V45-A55 WeakPolarHBondContact CA-O 3.13Å; V45-F56 HydrophobicContact CG1-CB 3.99Å |
| 46 | A | 97 | Very high | 93 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 128.1 | 167.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | I3 R4 V5 V54 A55 I83 F87 | I3-A46 HydrophobicContact CG2-CB 4.03Å; R4-A46 WeakPolarHBondContact O-CA 3.35Å; V5-A46 HydrophobicContact CG2-CB 4.04Å; A46-V54 HydrophobicContact CB-CG2 4.1Å; A46-V54 VanDerWaalsContact O-CG2 3.27Å; A46-V54 WeakPolarHBondContact O-CG2 3.45Å; A46-V54 PolarHBondContact O-N 3.02Å; A46-A55 HydrophobicContact CB-CB 4.03Å; A46-A55 PolarHBondContact N-O 3.35Å; A46-A55 PolarHBondContact O-N 3.42Å; A46-I83 HydrophobicContact CB-CG2 3.65Å; A46-F87 HydrophobicContact CB-CE1 4.36Å; A46-F87 HydrophobicContact CB-CZ 3.9Å |
| 47 | V | 96.9 | Very high | 93 | Very high | 2 Ų | 2 | 36.8 Ų | 36.8 | 1% | 0.012 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 148 | 176.3 | -60 | 0 | 0 | 0 | 0 | 111 | I3 R4 E52 | I3-V47 WeakPolarHBondContact CA-O 3.1Å; R4-V47 HydrophobicContact CB-CG2 4.07Å; R4-V47 PolarHBondContact N-O 2.99Å; R4-V47 PolarHBondContact O-N 2.98Å; V47-E52 CarbonylContact C-O 3.54Å; V47-E52 WeakPolarHBondContact CA-O 3.39Å |
| 48 | N | 95.2 | Very high | 92.9 | Very high | 11 Ų | 11 | 32.1 Ų | 32.1 | 6% | 0.059 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | -180 | 173.8 | 70.1 | 12.8 | 0 | 0 | 0 | 111.9 | D2 I3 N50 N51 E52 V54 Y78 | D2-N48 CarbonylContact O-C 3.57Å; D2-N48 WeakPolarHBondContact O-CA 3.43Å; I3-N48 HydrophobicContact CD1-CB 4.13Å; N48-N50 PolarHBondContact O-N 3.22Å; N48-N50 WeakPolarHBondContact OD1-CA 3.49Å; N48-N50 WeakPolarHBondContact OD1-CB 3.37Å; N48-N50 PolarHBondContact OD1-N 3.15Å; N48-N51 WeakPolarHBondContact O-CA 3.23Å; N48-N51 PolarHBondContact O-N 2.84Å; N48-N51 PolarHBondContact OD1-N 3.42Å; N48-E52 PolarHBondContact N-O 3.18Å; N48-E52 PolarHBondContact ND2-OE2 3.34Å; N48-E52 WeakPolarHBondContact OD1-CB 3.49Å; N48-E52 PolarHBondContact OD1-N 3.42Å; N48-V54 HydrophobicContact CB-CG1 4.12Å; N48-Y78 HydrophobicContact CB-CE1 4.14Å; N48-Y78 PolarHBondContact ND2-OH 3.46Å |
| 49 | G | 93.3 | Very high | 92.8 | Very high | 48 Ų | 48 | 31 Ų | 31 | 50% | 0.495 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60 | -13.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | D2 | D2-G49 PolarHBondContact O-N 3.4Š|
| 50 | N | 94.3 | Very high | 92.7 | Very high | 131 Ų | 131 | 31 Ų | 31 | 70% | 0.701 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -95.2 | 8.4 | 172.2 | -65.1 | -15.3 | 0 | 0 | 0 | 112.5 | N48 E52 | N48-N50 PolarHBondContact O-N 3.22Å; N48-N50 WeakPolarHBondContact OD1-CA 3.49Å; N48-N50 WeakPolarHBondContact OD1-CB 3.37Å; N48-N50 PolarHBondContact OD1-N 3.15Å; N50-E52 HydrophobicContact CB-CG 4.09Å; N50-E52 PolarHBondContact O-N 3.19Å |
| 51 | N | 93 | Very high | 92.8 | Very high | 105 Ų | 105 | 28.4 Ų | 28.4 | 56% | 0.561 | 17% | 0.166 | S | C | * | . | trans | 60.3 | 17.3 | -170.3 | -77.1 | -32.4 | 0 | 0 | 0 | 115.2 | R4 N48 | R4-N51 PolarHBondContact NH2-OD1 2.93Å; N48-N51 WeakPolarHBondContact O-CA 3.23Å; N48-N51 PolarHBondContact O-N 2.84Å; N48-N51 PolarHBondContact OD1-N 3.42Å | ||
| 52 | E | 95.1 | Very high | 92.8 | Very high | 109 Ų | 109 | 27 Ų | 27 | 51% | 0.509 | 16% | 0.158 | S | C | . | . | trans | -74.5 | 134.8 | 173.9 | -58.5 | 170 | 157 | 0 | 0 | 109.9 | V47 N48 N50 V54 | V47-E52 CarbonylContact C-O 3.54Å; V47-E52 WeakPolarHBondContact CA-O 3.39Å; N48-E52 PolarHBondContact N-O 3.18Å; N48-E52 PolarHBondContact ND2-OE2 3.34Å; N48-E52 WeakPolarHBondContact OD1-CB 3.49Å; N48-E52 PolarHBondContact OD1-N 3.42Å; N50-E52 HydrophobicContact CB-CG 4.09Å; N50-E52 PolarHBondContact O-N 3.19Å; E52-V54 PolarHBondContact O-N 3.13Å | ||
| 53 | L | 96.2 | Very high | 92.6 | Very high | 23 Ų | 23 | 28.8 Ų | 28.8 | 12% | 0.12 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 120.1 | 175.2 | -166 | 158 | 0 | 0 | 0 | 110.3 | D12 I16 L19 V45 F56 | D12-L53 HydrophobicContact CB-CD1 4.29Å; I16-L53 HydrophobicContact CD1-CD1 4.42Å; I16-L53 HydrophobicContact CG1-CD1 3.5Å; L19-L53 HydrophobicContact CB-CD2 4.33Å; L19-L53 HydrophobicContact CD2-CD2 3.67Å; L19-L53 HydrophobicContact CG-CD2 4.48Å; V45-L53 HydrophobicContact CB-CD1 4.11Å; V45-L53 HydrophobicContact CB-CG 4.32Å; V45-L53 HydrophobicContact CG1-CD1 3.62Å; V45-L53 HydrophobicContact CG1-CG 4.28Å; L53-F56 HydrophobicContact CD2-CD1 4.39Å |
| 54 | V | 95.4 | Very high | 92.2 | Very high | 2 Ų | 2 | 31.1 Ų | 31.1 | 1% | 0.012 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | -19.8 | -176.4 | -61.5 | 0 | 0 | 0 | 0 | 113.6 | I3 A46 N48 E52 N75 Y78 | I3-V54 HydrophobicContact CD1-CG2 3.99Å; A46-V54 HydrophobicContact CB-CG2 4.1Å; A46-V54 VanDerWaalsContact O-CG2 3.27Å; A46-V54 WeakPolarHBondContact O-CG2 3.45Å; A46-V54 PolarHBondContact O-N 3.02Å; N48-V54 HydrophobicContact CB-CG1 4.12Å; E52-V54 PolarHBondContact O-N 3.13Å; V54-N75 WeakPolarHBondContact O-CB 3.25Å; V54-N75 PolarHBondContact O-N 2.85Å; V54-Y78 HydrophobicContact CB-CD1 4.21Å; V54-Y78 HydrophobicContact CB-CD2 3.8Å; V54-Y78 HydrophobicContact CB-CE1 4.33Å; V54-Y78 HydrophobicContact CB-CE2 3.93Å; V54-Y78 HydrophobicContact CB-CG 3.94Å; V54-Y78 HydrophobicContact CG1-CD1 4.27Å; V54-Y78 HydrophobicContact CG1-CD2 3.86Å; V54-Y78 HydrophobicContact CG1-CE1 3.87Å; V54-Y78 HydrophobicContact CG1-CE2 3.43Å; V54-Y78 VanDerWaalsContact CG1-CE2 3.43Å; V54-Y78 HydrophobicContact CG1-CG 4.25Å; V54-Y78 VanDerWaalsContact CG1-CZ 3.44Å; V54-Y78 HydrophobicContact CG2-CD1 4.07Å; V54-Y78 HydrophobicContact CG2-CD2 4.5Å; V54-Y78 HydrophobicContact CG2-CE1 4.33Å; V54-Y78 HydrophobicContact CG2-CG 4.15Å |
| 55 | A | 94.8 | Very high | 91.9 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.8 | 157.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | V45 A46 I73 C74 I83 F87 | V45-A55 WeakPolarHBondContact CA-O 3.13Å; A46-A55 HydrophobicContact CB-CB 4.03Å; A46-A55 PolarHBondContact N-O 3.35Å; A46-A55 PolarHBondContact O-N 3.42Å; A55-I73 CarbonylContact C-O 3.59Å; A55-I73 WeakPolarHBondContact CA-O 3.42Å; A55-I73 WeakPolarHBondContact CB-O 3.36Å; A55-C74 HydrophobicContact CB-CB 3.84Å; A55-I83 HydrophobicContact CB-CG2 4.18Å; A55-F87 HydrophobicContact CB-CE2 4.01Å; A55-F87 HydrophobicContact CB-CZ 4.07Å |
| 56 | F | 93.6 | Very high | 91.5 | Very high | 1 Ų | 1 | 31.4 Ų | 31.4 | 0% | 0.004 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 158.2 | 168 | 72.1 | -87.9 | 0 | 0 | 0 | 111.5 | I16 L19 A20 Q44 V45 L53 A58 Q71 L72 I73 | I16-F56 HydrophobicContact CB-CD1 4.42Å; I16-F56 HydrophobicContact CD1-CB 4.49Å; I16-F56 HydrophobicContact CG1-CB 4.25Å; I16-F56 HydrophobicContact CG1-CD1 4.33Å; I16-F56 HydrophobicContact CG1-CG 4.21Å; I16-F56 HydrophobicContact CG2-CD1 3.85Å; I16-F56 HydrophobicContact CG2-CD2 3.89Å; I16-F56 HydrophobicContact CG2-CE1 3.71Å; I16-F56 HydrophobicContact CG2-CE2 3.76Å; I16-F56 HydrophobicContact CG2-CG 3.93Å; I16-F56 HydrophobicContact CG2-CZ 3.67Å; L19-F56 HydrophobicContact CD2-CD1 3.87Å; L19-F56 HydrophobicContact CD2-CE1 4.18Å; A20-F56 HydrophobicContact CB-CE1 4.48Å; A20-F56 HydrophobicContact CB-CZ 4.42Å; Q44-F56 CarbonylContact O-C 3.55Å; Q44-F56 WeakPolarHBondContact O-CA 3.43Å; Q44-F56 WeakPolarHBondContact O-CB 3.44Å; V45-F56 HydrophobicContact CG1-CB 3.99Å; L53-F56 HydrophobicContact CD2-CD1 4.39Å; F56-A58 HydrophobicContact CD2-CB 4.19Å; F56-A58 HydrophobicContact CE2-CB 4.11Å; F56-Q71 HydrophobicContact CE2-CB 3.82Å; F56-Q71 HydrophobicContact CZ-CB 4.14Å; F56-L72 WeakPolarHBondContact O-CA 3.03Å; F56-L72 WeakPolarHBondContact O-CD1 3.34Å; F56-I73 HydrophobicContact CD1-CB 4.21Å; F56-I73 HydrophobicContact CE1-CB 3.65Å; F56-I73 HydrophobicContact CE1-CD1 3.79Å; F56-I73 HydrophobicContact CE1-CG1 3.97Å; F56-I73 HydrophobicContact CE1-CG2 4.45Å; F56-I73 HydrophobicContact CZ-CB 4.08Å; F56-I73 HydrophobicContact CZ-CD1 3.65Å; F56-I73 HydrophobicContact CZ-CG1 3.9Å; F56-I73 PolarHBondContact N-O 2.66Å; F56-I73 PolarHBondContact O-N 3.05Å |
| 57 | N | 91.1 | Very high | 91.1 | Very high | 5 Ų | 5 | 31.4 Ų | 31.4 | 3% | 0.027 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 116 | 171.1 | -178.9 | 59.6 | 0 | 0 | 0 | 108.9 | W43 Q44 N59 Q71 L72 F87 | W43-N57 WeakPolarHBondContact CA-O 3.23Å; Q44-N57 PolarHBondContact N-O 3.5Å; Q44-N57 PolarHBondContact O-N 2.78Å; N57-N59 PolarHBondContact ND2-ND2 3.49Å; N57-N59 VanDerWaalsContact ND2-ND2 3.1Å; N57-N59 PolarHBondContact ND2-OD1 3.12Å; N57-Q71 WeakPolarHBondContact CA-O 3.14Å; N57-L72 HydrophobicContact CB-CD1 4.17Å; N57-F87 HydrophobicContact CB-CB 3.81Å; N57-F87 HydrophobicContact CB-CD1 4.25Å; N57-F87 HydrophobicContact CB-CD2 3.62Å; N57-F87 HydrophobicContact CB-CE2 4.14Å; N57-F87 HydrophobicContact CB-CG 3.66Å |
| 58 | A | 89.2 | Confident | 90.3 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 109.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | W43 F56 Y70 Q71 | W43-A58 HydrophobicContact CD2-CB 3.6Å; W43-A58 HydrophobicContact CE3-CB 3.86Å; W43-A58 HydrophobicContact CG-CB 4.18Å; W43-A58 HydrophobicContact CH2-CB 4.01Å; W43-A58 HydrophobicContact CZ2-CB 3.77Å; W43-A58 HydrophobicContact CZ3-CB 4.05Å; F56-A58 HydrophobicContact CD2-CB 4.19Å; F56-A58 HydrophobicContact CE2-CB 4.11Å; A58-Y70 HydrophobicContact CB-CD1 3.94Å; A58-Y70 WeakPolarHBondContact O-CB 3.39Å; A58-Y70 PolarHBondContact O-N 3.05Å; A58-Q71 PolarHBondContact N-O 3.11Å; A58-Q71 PolarHBondContact O-N 2.69Å |
| 59 | N | 87.2 | Confident | 89.4 | Confident | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 152.8 | 176.4 | -76.4 | -11.6 | 0 | 0 | 0 | 110.9 | W43 N57 M68 D88 | W43-N59 VanDerWaalsContact CD1-O 3.27Å; W43-N59 PolarHBondContact NE1-O 2.83Å; W43-N59 VanDerWaalsContact NE1-O 3.15Å; N57-N59 PolarHBondContact ND2-ND2 3.49Å; N57-N59 VanDerWaalsContact ND2-ND2 3.1Å; N57-N59 PolarHBondContact ND2-OD1 3.12Å; N59-M68 CarbonylContact C-O 3.57Å; N59-M68 VanDerWaalsContact CA-O 3.24Å; N59-M68 WeakPolarHBondContact CA-O 3.45Å; N59-D88 PolarHBondContact ND2-O 3.25Å; N59-D88 PolarHBondContact ND2-OD2 2.9Å |
| 60 | H | 87.6 | Confident | 88.4 | Confident | 1 Ų | 1 | 31.6 Ų | 31.6 | 1% | 0.005 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 120.3 | 171.4 | -60 | 62.7 | 0 | 0 | 0 | 110.2 | H35 A39 W43 S67 M68 Y284 V287 | H35-H60 PolarHBondContact O-NE2 2.68Å; A39-H60 CarbonylContact O-C 3.47Å; A39-H60 WeakPolarHBondContact O-CA 3.37Å; W43-H60 AromaticContact CZ2-CE1 3.74Å; W43-H60 AromaticContact NE1-CE1 3.71Å; H60-S67 CarbonylContact O-C 3.4Å; H60-S67 VanDerWaalsContact O-CA 3.32Å; H60-S67 WeakPolarHBondContact O-CA 2.96Å; H60-M68 HydrophobicContact CB-CB 4.28Å; H60-M68 PolarHBondContact N-O 3.14Å; H60-M68 PolarHBondContact O-N 2.82Å; H60-Y284 AromaticContact CE1-CD1 3.6Å; H60-Y284 AromaticContact CE1-CE1 3.43Å; H60-Y284 VanDerWaalsContact CE1-CE1 3.43Å; H60-Y284 WeakPolarHBondContact CE1-CE1 3.49Å; H60-Y284 AromaticContact NE2-CD1 3.88Å; H60-Y284 AromaticContact NE2-CE1 3.85Å; H60-V287 HydrophobicContact CB-CG2 3.67Å |
| 61 | G | 88.4 | Confident | 87.9 | Confident | 17 Ų | 17 | 26 Ų | 26 | 18% | 0.175 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 121.3 | 168.4 | 0 | 0 | 0 | 0 | 0 | 110 | A39 | A39-G61 PolarHBondContact O-N 3.13Å |
| 62 | L | 86.3 | Confident | 87.6 | Confident | 15 Ų | 15 | 23.5 Ų | 23.5 | 8% | 0.079 | 14% | 0.141 | C | C | . | . | trans | -87.5 | 149.8 | 173.6 | -60 | 179.3 | 0 | 0 | 0 | 110.1 | N64 G65 V66 M68 F162 M269 | L62-N64 VanDerWaalsContact CB-OD1 3.28Å; L62-N64 WeakPolarHBondContact CB-OD1 3.34Å; L62-N64 PolarHBondContact O-N 2.81Å; L62-G65 PolarHBondContact O-N 2.97Å; L62-V66 WeakPolarHBondContact CB-O 2.8Å; L62-V66 PolarHBondContact N-O 2.91Å; L62-M68 HydrophobicContact CD1-CE 4.18Å; L62-M68 HydrophobicContact CD2-CE 4.22Å; L62-M68 HydrophobicContact CG-CE 4.49Å; L62-F162 HydrophobicContact CD1-CD2 4.43Å; L62-F162 HydrophobicContact CD1-CE1 4.38Å; L62-F162 HydrophobicContact CD1-CE2 3.98Å; L62-F162 HydrophobicContact CD1-CZ 3.91Å; L62-F162 HydrophobicContact CD2-CD2 4.32Å; L62-F162 HydrophobicContact CD2-CE2 3.65Å; L62-F162 HydrophobicContact CD2-CZ 4.19Å; L62-F162 HydrophobicContact CG-CE2 4.37Å; L62-M269 HydrophobicContact CD1-CE 3.7Å; L62-M269 HydrophobicContact CD1-SD 4.16Å | ||
| 63 | P | 84.4 | Confident | 87.2 | Confident | 103 Ų | 103 | 18.5 Ų | 18.5 | 67% | 0.669 | 12% | 0.118 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -16.7 | -178.8 | -27.1 | 35 | 0 | 0 | 0 | 115.3 | G65 | P63-G65 VanDerWaalsContact C-N 3.34Š|
| 64 | N | 85.8 | Confident | 87 | Confident | 51 Ų | 51 | 18.6 Ų | 18.6 | 27% | 0.273 | 12% | 0.12 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | 10.4 | -179.9 | 61.6 | 11.9 | 0 | 0 | 0 | 114 | L62 V66 F268 | L62-N64 VanDerWaalsContact CB-OD1 3.28Å; L62-N64 WeakPolarHBondContact CB-OD1 3.34Å; L62-N64 PolarHBondContact O-N 2.81Å; N64-V66 WeakPolarHBondContact OD1-CB 3.46Å; N64-V66 PolarHBondContact OD1-N 2.85Å; N64-F268 HydrophobicContact CB-CE2 4.2Å |
| 65 | G | 88.4 | Confident | 86.8 | Confident | 34 Ų | 34 | 20 Ų | 20 | 35% | 0.351 | 13% | 0.128 | S | C | . | . | S | Bend | trans | 78.2 | 19.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | L62 P63 | L62-G65 PolarHBondContact O-N 2.97Å; P63-G65 VanDerWaalsContact C-N 3.34Å |
| 66 | V | 88.7 | Confident | 86.6 | Confident | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 15% | 0.149 | C | C | . | . | trans | -106.2 | 141.3 | 171.9 | 174.5 | 0 | 0 | 0 | 0 | 108.4 | L62 N64 P96 L98 T266 F268 M269 | L62-V66 WeakPolarHBondContact CB-O 2.8Å; L62-V66 PolarHBondContact N-O 2.91Å; N64-V66 WeakPolarHBondContact OD1-CB 3.46Å; N64-V66 PolarHBondContact OD1-N 2.85Å; V66-P96 WeakPolarHBondContact CG1-O 3.47Å; V66-P96 HydrophobicContact CG2-CG 4.14Å; V66-L98 HydrophobicContact CG1-CD2 3.85Å; V66-L98 HydrophobicContact CG1-CG 4.25Å; V66-T266 HydrophobicContact CG1-CG2 3.59Å; V66-T266 HydrophobicContact CG2-CG2 4.24Å; V66-F268 HydrophobicContact CG2-CE1 3.93Å; V66-F268 HydrophobicContact CG2-CZ 3.55Å; V66-M269 HydrophobicContact CB-CE 3.35Å; V66-M269 HydrophobicContact CG1-CE 3.26Å; V66-M269 HydrophobicContact CG2-CE 3.49Å; V66-M269 VanDerWaalsContact CG2-CE 3.49Å | ||
| 67 | S | 88.4 | Confident | 86.5 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 150.8 | 171.8 | 175.9 | 0 | 0 | 0 | 0 | 110.4 | H60 P96 M97 L98 | H60-S67 CarbonylContact O-C 3.4Å; H60-S67 VanDerWaalsContact O-CA 3.32Å; H60-S67 WeakPolarHBondContact O-CA 2.96Å; S67-P96 PolarHBondContact N-O 3.14Å; S67-M97 WeakPolarHBondContact O-CA 3.42Å; S67-L98 PolarHBondContact O-N 3Å; S67-L98 VanDerWaalsContact O-N 3.09Å |
| 68 | M | 80.8 | Confident | 86.6 | Confident | 3 Ų | 3 | 30.4 Ų | 30.4 | 2% | 0.015 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 123.9 | 173.6 | -177.6 | -178 | -31.1 | 0 | 0 | 109.4 | N59 H60 L62 L98 W285 P286 V287 | N59-M68 CarbonylContact C-O 3.57Å; N59-M68 VanDerWaalsContact CA-O 3.24Å; N59-M68 WeakPolarHBondContact CA-O 3.45Å; H60-M68 HydrophobicContact CB-CB 4.28Å; H60-M68 PolarHBondContact N-O 3.14Å; H60-M68 PolarHBondContact O-N 2.82Å; L62-M68 HydrophobicContact CD1-CE 4.18Å; L62-M68 HydrophobicContact CD2-CE 4.22Å; L62-M68 HydrophobicContact CG-CE 4.49Å; M68-L98 WeakPolarHBondContact CA-O 3.49Å; M68-L98 HydrophobicContact CB-CD1 4.1Å; M68-L98 HydrophobicContact CE-CD1 4.14Å; M68-L98 HydrophobicContact CG-CD1 3.69Å; M68-L98 HydrophobicContact SD-CD1 4.21Å; M68-W285 VanDerWaalsContact SD-C 3.52Å; M68-P286 HydrophobicContact CE-CB 4.43Å; M68-P286 HydrophobicContact CE-CG 3.52Å; M68-V287 HydrophobicContact CE-CB 4.32Å; M68-V287 HydrophobicContact CE-CG2 3.21Å; M68-V287 HydrophobicContact SD-CG2 3.65Å |
| 69 | G | 76.4 | Confident | 86.6 | Confident | 23 Ų | 23 | 34.9 Ų | 34.9 | 24% | 0.237 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 120.6 | 171.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | L98 | G69-L98 PolarHBondContact N-O 3.14Å |
| 70 | Y | 72.1 | Confident | 86.6 | Confident | 39 Ų | 39 | 39.1 Ų | 39.1 | 15% | 0.153 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | -69.6 | 174 | 172.8 | -112.5 | 0 | 0 | 0 | 110.8 | V27 Y32 A58 Y284 | V27-Y70 PolarHBondContact O-OH 2.86Å; V27-Y70 VanDerWaalsContact O-OH 3.1Å; Y32-Y70 AromaticContact CE1-CE1 3.69Å; Y32-Y70 HydrophobicContact CE1-CE1 3.69Å; Y32-Y70 AromaticContact CZ-CE1 3.91Å; A58-Y70 HydrophobicContact CB-CD1 3.94Å; A58-Y70 WeakPolarHBondContact O-CB 3.39Å; A58-Y70 PolarHBondContact O-N 3.05Å; Y70-Y284 HydrophobicContact CD1-CD1 4.34Å; Y70-Y284 AromaticContact CD1-CE1 3.49Å; Y70-Y284 HydrophobicContact CD1-CE1 3.49Å; Y70-Y284 VanDerWaalsContact CD1-CE1 3.49Å; Y70-Y284 HydrophobicContact CD1-CE2 4.1Å; Y70-Y284 AromaticContact CD1-CZ 3.37Å; Y70-Y284 WeakPolarHBondContact CD1-OH 3.22Å; Y70-Y284 AromaticContact CD2-CD1 3.75Å; Y70-Y284 HydrophobicContact CD2-CD1 3.75Å; Y70-Y284 AromaticContact CD2-CD2 3.94Å; Y70-Y284 HydrophobicContact CD2-CD2 3.94Å; Y70-Y284 AromaticContact CD2-CE1 3.72Å; Y70-Y284 HydrophobicContact CD2-CE1 3.72Å; Y70-Y284 AromaticContact CD2-CE2 3.94Å; Y70-Y284 HydrophobicContact CD2-CE2 3.94Å; Y70-Y284 AromaticContact CD2-CG 3.88Å; Y70-Y284 HydrophobicContact CD2-CG 3.88Å; Y70-Y284 AromaticContact CD2-CZ 3.86Å; Y70-Y284 HydrophobicContact CE1-CD2 4.46Å; Y70-Y284 AromaticContact CE1-CE1 3.8Å; Y70-Y284 HydrophobicContact CE1-CE1 3.8Å; Y70-Y284 AromaticContact CE1-CE2 3.54Å; Y70-Y284 HydrophobicContact CE1-CE2 3.54Å; Y70-Y284 AromaticContact CE1-CZ 3.15Å; Y70-Y284 WeakPolarHBondContact CE1-OH 3.36Å; Y70-Y284 HydrophobicContact CE2-CD1 4.15Å; Y70-Y284 AromaticContact CE2-CD2 3.47Å; Y70-Y284 HydrophobicContact CE2-CD2 3.47Å; Y70-Y284 VanDerWaalsContact CE2-CD2 3.47Å; Y70-Y284 HydrophobicContact CE2-CE1 4.01Å; Y70-Y284 AromaticContact CE2-CE2 3.34Å; Y70-Y284 HydrophobicContact CE2-CE2 3.34Å; Y70-Y284 AromaticContact CE2-CG 3.92Å; Y70-Y284 HydrophobicContact CE2-CG 3.92Å; Y70-Y284 AromaticContact CE2-CZ 3.66Å; Y70-Y284 AromaticContact CG-CD1 3.86Å; Y70-Y284 HydrophobicContact CG-CD1 3.86Å; Y70-Y284 AromaticContact CG-CE1 3.45Å; Y70-Y284 HydrophobicContact CG-CE1 3.45Å; Y70-Y284 VanDerWaalsContact CG-CE1 3.45Å; Y70-Y284 HydrophobicContact CG-CE2 4.28Å; Y70-Y284 HydrophobicContact CG-CG 4.44Å; Y70-Y284 AromaticContact CG-CZ 3.73Å; Y70-Y284 AromaticContact CZ-CD2 3.77Å; Y70-Y284 AromaticContact CZ-CE2 3.1Å; Y70-Y284 AromaticContact CZ-CZ 3.3Å; Y70-Y284 VanDerWaalsContact OH-CE2 3.32Å; Y70-Y284 WeakPolarHBondContact OH-CE2 3.34Å |
| 71 | Q | 83.2 | Confident | 86.6 | Confident | 14 Ų | 14 | 45.4 Ų | 45.4 | 7% | 0.065 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 132.4 | -174.3 | -80.7 | -176.9 | 9.3 | 0 | 0 | 111.9 | F25 Y32 F56 N57 A58 I73 | F25-Q71 HydrophobicContact CD1-CG 4.37Å; F25-Q71 HydrophobicContact CE1-CG 4.45Å; Y32-Q71 PolarHBondContact OH-NE2 2.89Å; Y32-Q71 PolarHBondContact OH-OE1 3.47Å; F56-Q71 HydrophobicContact CE2-CB 3.82Å; F56-Q71 HydrophobicContact CZ-CB 4.14Å; N57-Q71 WeakPolarHBondContact CA-O 3.14Å; A58-Q71 PolarHBondContact N-O 3.11Å; A58-Q71 PolarHBondContact O-N 2.69Å; Q71-I73 HydrophobicContact CB-CG1 4.45Å |
| 72 | L | 86.3 | Confident | 86.7 | Confident | 52 Ų | 52 | 45.7 Ų | 45.7 | 27% | 0.272 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 97.3 | 166.7 | 173.6 | 60 | 0 | 0 | 0 | 107.7 | F56 N57 F87 T89 | F56-L72 WeakPolarHBondContact O-CA 3.03Å; F56-L72 WeakPolarHBondContact O-CD1 3.34Å; N57-L72 HydrophobicContact CB-CD1 4.17Å; L72-F87 HydrophobicContact CD1-CD2 3.46Å; L72-F87 VanDerWaalsContact CD1-CD2 3.46Å; L72-F87 HydrophobicContact CD1-CE2 3.72Å; L72-T89 HydrophobicContact CD2-CG2 3.88Å |
| 73 | I | 87.9 | Confident | 86.9 | Confident | 5 Ų | 5 | 45.6 Ų | 45.6 | 3% | 0.026 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 130.6 | 178.4 | -57.2 | -179.1 | 0 | 0 | 0 | 108.2 | L19 A20 F23 F25 A55 F56 Q71 | L19-I73 HydrophobicContact CD2-CB 4.41Å; L19-I73 HydrophobicContact CD2-CG2 3.95Å; L19-I73 HydrophobicContact CG-CG2 4.16Å; A20-I73 HydrophobicContact CB-CD1 3.8Å; F23-I73 HydrophobicContact CB-CG2 4.39Å; F23-I73 HydrophobicContact CD2-CG2 3.98Å; F25-I73 HydrophobicContact CB-CD1 4.04Å; F25-I73 HydrophobicContact CD1-CD1 4.2Å; F25-I73 HydrophobicContact CD2-CD1 3.17Å; F25-I73 HydrophobicContact CD2-CG1 3.85Å; F25-I73 HydrophobicContact CE2-CD1 3.53Å; F25-I73 HydrophobicContact CE2-CG1 3.63Å; F25-I73 HydrophobicContact CG-CD1 3.53Å; F25-I73 HydrophobicContact CG-CG1 4.42Å; F25-I73 HydrophobicContact CZ-CD1 4.19Å; F25-I73 HydrophobicContact CZ-CG1 4.07Å; A55-I73 CarbonylContact C-O 3.59Å; A55-I73 WeakPolarHBondContact CA-O 3.42Å; A55-I73 WeakPolarHBondContact CB-O 3.36Å; F56-I73 HydrophobicContact CD1-CB 4.21Å; F56-I73 HydrophobicContact CE1-CB 3.65Å; F56-I73 HydrophobicContact CE1-CD1 3.79Å; F56-I73 HydrophobicContact CE1-CG1 3.97Å; F56-I73 HydrophobicContact CE1-CG2 4.45Å; F56-I73 HydrophobicContact CZ-CB 4.08Å; F56-I73 HydrophobicContact CZ-CD1 3.65Å; F56-I73 HydrophobicContact CZ-CG1 3.9Å; F56-I73 PolarHBondContact N-O 2.66Å; F56-I73 PolarHBondContact O-N 3.05Å; Q71-I73 HydrophobicContact CB-CG1 4.45Å |
| 74 | C | 90.3 | Very high | 87 | Confident | 24 Ų | 24 | 43 Ų | 43 | 16% | 0.162 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 127.8 | 173.7 | 179.7 | 0 | 0 | 0 | 0 | 108.6 | A55 Q79 | A55-C74 HydrophobicContact CB-CB 3.84Å; C74-Q79 HydrophobicContact CB-CG 4.04Å; C74-Q79 PolarHBondContact O-NE2 3.08Å |
| 75 | N | 91.8 | Very high | 87.2 | Confident | 31 Ų | 31 | 47.4 Ų | 47.4 | 17% | 0.166 | 27% | 0.272 | C | S | . | . | trans | -51.8 | 126.3 | 173.1 | 179.7 | -31.5 | 0 | 0 | 0 | 109.6 | L19 F23 V54 K77 Y78 Q79 | L19-N75 HydrophobicContact CD1-CB 4.34Å; F23-N75 HydrophobicContact CE2-CB 3.96Å; F23-N75 HydrophobicContact CZ-CB 4.07Å; V54-N75 WeakPolarHBondContact O-CB 3.25Å; V54-N75 PolarHBondContact O-N 2.85Å; N75-K77 PolarHBondContact O-N 2.88Å; N75-K77 WeakPolarHBondContact OD1-CB 3.49Å; N75-K77 PolarHBondContact OD1-N 2.99Å; N75-Y78 HydrophobicContact CB-CD2 3.89Å; N75-Y78 WeakPolarHBondContact O-CA 3.45Å; N75-Y78 PolarHBondContact O-N 2.85Å; N75-Q79 PolarHBondContact O-N 3.37Å | ||
| 76 | P | 90.8 | Very high | 87.2 | Confident | 70 Ų | 70 | 52.5 Ų | 52.5 | 46% | 0.455 | 29% | 0.285 | S | S | . | . | G | 310 helix | trans | -49.3 | -32.9 | -178.4 | -31.2 | 37.4 | 0 | 0 | 0 | 114.8 | F23 Y78 Q79 | F23-P76 HydrophobicContact CD1-CG 4.21Å; F23-P76 HydrophobicContact CE1-CG 3.71Å; F23-P76 HydrophobicContact CZ-CG 4.25Å; P76-Y78 PolarHBondContact O-N 2.84Å; P76-Y78 VanDerWaalsContact O-N 3.14Å; P76-Q79 PolarHBondContact O-N 2.96Å |
| 77 | K | 92.1 | Very high | 87.4 | Confident | 142 Ų | 142 | 52.7 Ų | 52.7 | 62% | 0.617 | 29% | 0.286 | S | S | * | . | G | 310 helix | trans | -60.3 | -24.1 | 175.7 | -175.8 | 176.7 | 177.6 | -178.8 | 0 | 113.4 | N75 R81 | N75-K77 PolarHBondContact O-N 2.88Å; N75-K77 WeakPolarHBondContact OD1-CB 3.49Å; N75-K77 PolarHBondContact OD1-N 2.99Å; K77-R81 PolarHBondContact O-NE 3.32Å; K77-R81 PolarHBondContact O-NH2 2.9Å |
| 78 | Y | 92.3 | Very high | 87.3 | Confident | 13 Ų | 13 | 54.5 Ų | 54.5 | 5% | 0.051 | 30% | 0.296 | C | S | . | . | G | 310 helix | trans | -110 | -4.7 | -176.4 | -62.9 | -95.8 | 0 | 0 | 0 | 113.4 | M1 I3 N48 V54 N75 P76 R81 | M1-Y78 HydrophobicContact CE-CD1 3.86Å; M1-Y78 HydrophobicContact CE-CE1 3.21Å; M1-Y78 HydrophobicContact SD-CD1 3.81Å; M1-Y78 HydrophobicContact SD-CE1 3.69Å; I3-Y78 HydrophobicContact CD1-CD1 3.61Å; I3-Y78 HydrophobicContact CD1-CE1 3.65Å; N48-Y78 HydrophobicContact CB-CE1 4.14Å; N48-Y78 PolarHBondContact ND2-OH 3.46Å; V54-Y78 HydrophobicContact CB-CD1 4.21Å; V54-Y78 HydrophobicContact CB-CD2 3.8Å; V54-Y78 HydrophobicContact CB-CE1 4.33Å; V54-Y78 HydrophobicContact CB-CE2 3.93Å; V54-Y78 HydrophobicContact CB-CG 3.94Å; V54-Y78 HydrophobicContact CG1-CD1 4.27Å; V54-Y78 HydrophobicContact CG1-CD2 3.86Å; V54-Y78 HydrophobicContact CG1-CE1 3.87Å; V54-Y78 HydrophobicContact CG1-CE2 3.43Å; V54-Y78 VanDerWaalsContact CG1-CE2 3.43Å; V54-Y78 HydrophobicContact CG1-CG 4.25Å; V54-Y78 VanDerWaalsContact CG1-CZ 3.44Å; V54-Y78 HydrophobicContact CG2-CD1 4.07Å; V54-Y78 HydrophobicContact CG2-CD2 4.5Å; V54-Y78 HydrophobicContact CG2-CE1 4.33Å; V54-Y78 HydrophobicContact CG2-CG 4.15Å; N75-Y78 HydrophobicContact CB-CD2 3.89Å; N75-Y78 WeakPolarHBondContact O-CA 3.45Å; N75-Y78 PolarHBondContact O-N 2.85Å; P76-Y78 PolarHBondContact O-N 2.84Å; P76-Y78 VanDerWaalsContact O-N 3.14Å; Y78-R81 WeakPolarHBondContact O-CB 3.19Å; Y78-R81 WeakPolarHBondContact O-CG 3.31Å |
| 79 | Q | 90.2 | Very high | 87.4 | Confident | 95 Ų | 95 | 54.7 Ų | 54.7 | 44% | 0.444 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | 157.4 | 174.4 | -68.7 | -179.8 | 14.5 | 0 | 0 | 111.6 | C74 N75 P76 R81 | C74-Q79 HydrophobicContact CB-CG 4.04Å; C74-Q79 PolarHBondContact O-NE2 3.08Å; N75-Q79 PolarHBondContact O-N 3.37Å; P76-Q79 PolarHBondContact O-N 2.96Å; Q79-R81 PolarHBondContact O-N 3.41Å |
| 80 | G | 87.2 | Confident | 87.5 | Confident | 90 Ų | 90 | 54.3 Ų | 54.3 | 93% | 0.928 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.4 | -0 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 81 | R | 87.6 | Confident | 87.8 | Confident | 132 Ų | 132 | 56 Ų | 56 | 50% | 0.498 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -95.5 | 4.4 | -177.9 | -56.3 | -176.9 | -169.8 | -133.3 | 2.2 | 114.6 | M1 K77 Y78 Q79 | M1-R81 PolarHBondContact SD-NH1 2.79Å; K77-R81 PolarHBondContact O-NE 3.32Å; K77-R81 PolarHBondContact O-NH2 2.9Å; Y78-R81 WeakPolarHBondContact O-CB 3.19Å; Y78-R81 WeakPolarHBondContact O-CG 3.31Å; Q79-R81 PolarHBondContact O-N 3.41Å |
| 82 | G | 88.8 | Confident | 87.9 | Confident | 24 Ų | 24 | 60.2 Ų | 60.2 | 25% | 0.247 | 32% | 0.316 | C | S | . | . | trans | 76.8 | 15.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | S84 K85 | G82-S84 VanDerWaalsContact C-N 3.25Å; G82-S84 PolarHBondContact O-N 3.09Å; G82-K85 VanDerWaalsContact O-CB 3.3Å; G82-K85 WeakPolarHBondContact O-CB 3.41Å; G82-K85 WeakPolarHBondContact O-CG 3.46Å; G82-K85 PolarHBondContact O-N 3.41Å | ||
| 83 | I | 90.8 | Very high | 87.8 | Confident | 12 Ų | 12 | 58.9 Ų | 58.9 | 6% | 0.062 | 31% | 0.312 | C | S | . | . | G | 310 helix | trans | -53.1 | -42.2 | 179.2 | -65.5 | 176.4 | 0 | 0 | 0 | 111.9 | I3 A46 A55 K85 F86 F87 | I3-I83 HydrophobicContact CG2-CD1 4.29Å; I3-I83 HydrophobicContact CG2-CG1 4.31Å; A46-I83 HydrophobicContact CB-CG2 3.65Å; A55-I83 HydrophobicContact CB-CG2 4.18Å; I83-K85 PolarHBondContact O-N 2.76Å; I83-F86 WeakPolarHBondContact O-CD2 3.27Å; I83-F86 PolarHBondContact O-N 3.1Å; I83-F87 HydrophobicContact CG2-CE2 3.97Å; I83-F87 HydrophobicContact CG2-CZ 3.96Å |
| 84 | S | 87.1 | Confident | 87.6 | Confident | 49 Ų | 49 | 65.5 Ų | 65.5 | 34% | 0.343 | 35% | 0.352 | S | S | . | . | G | 310 helix | trans | -63.3 | -12.7 | -178.8 | 56.5 | 0 | 0 | 0 | 0 | 114.7 | G82 F86 F87 F92 | G82-S84 VanDerWaalsContact C-N 3.25Å; G82-S84 PolarHBondContact O-N 3.09Å; S84-F86 PolarHBondContact O-N 3.03Å; S84-F87 PolarHBondContact O-N 2.86Å; S84-F92 WeakPolarHBondContact O-CD2 2.95Å |
| 85 | K | 89 | Confident | 87.5 | Confident | 143 Ų | 143 | 66.8 Ų | 66.8 | 62% | 0.622 | 36% | 0.356 | S | S | * | . | G | 310 helix | trans | -68.2 | -22.9 | 172.7 | -62.6 | -175.6 | 177.4 | -177.6 | 0 | 113.4 | G82 I83 F92 | G82-K85 VanDerWaalsContact O-CB 3.3Å; G82-K85 WeakPolarHBondContact O-CB 3.41Å; G82-K85 WeakPolarHBondContact O-CG 3.46Å; G82-K85 PolarHBondContact O-N 3.41Å; I83-K85 PolarHBondContact O-N 2.76Å; K85-F92 VanDerWaalsContact CA-CE2 3.44Å; K85-F92 HydrophobicContact CB-CE2 4.18Å; K85-F92 HydrophobicContact CB-CZ 4.11Å; K85-F92 HydrophobicContact CG-CE2 4.1Å; K85-F92 HydrophobicContact CG-CZ 3.77Å |
| 86 | F | 90.2 | Very high | 87.4 | Confident | 141 Ų | 141 | 66.9 Ų | 66.9 | 62% | 0.618 | 36% | 0.358 | S | S | * | . | G | 310 helix | trans | -94.5 | -4.3 | 178.8 | -56.8 | -72.5 | 0 | 0 | 0 | 112.3 | V5 I83 S84 | V5-F86 HydrophobicContact CB-CB 4.07Å; V5-F86 HydrophobicContact CG1-CB 4.02Å; V5-F86 HydrophobicContact CG2-CB 3.82Å; V5-F86 HydrophobicContact CG2-CD2 4.42Å; V5-F86 HydrophobicContact CG2-CG 4.34Å; I83-F86 WeakPolarHBondContact O-CD2 3.27Å; I83-F86 PolarHBondContact O-N 3.1Å; S84-F86 PolarHBondContact O-N 3.03Å |
| 87 | F | 91.2 | Very high | 87.2 | Confident | 4 Ų | 4 | 63.9 Ų | 63.9 | 2% | 0.018 | 34% | 0.338 | C | S | . | . | S | Bend | trans | -96.6 | 152.1 | 174.5 | -65.3 | -25.3 | 0 | 0 | 0 | 110.6 | V5 Q44 A46 A55 N57 L72 I83 S84 T89 | V5-F87 HydrophobicContact CG1-CD1 3.89Å; V5-F87 HydrophobicContact CG1-CE1 3.75Å; V5-F87 HydrophobicContact CG2-CE1 4.27Å; Q44-F87 HydrophobicContact CB-CD1 3.59Å; Q44-F87 HydrophobicContact CB-CE1 3.83Å; Q44-F87 HydrophobicContact CB-CG 4.49Å; A46-F87 HydrophobicContact CB-CE1 4.36Å; A46-F87 HydrophobicContact CB-CZ 3.9Å; A55-F87 HydrophobicContact CB-CE2 4.01Å; A55-F87 HydrophobicContact CB-CZ 4.07Å; N57-F87 HydrophobicContact CB-CB 3.81Å; N57-F87 HydrophobicContact CB-CD1 4.25Å; N57-F87 HydrophobicContact CB-CD2 3.62Å; N57-F87 HydrophobicContact CB-CE2 4.14Å; N57-F87 HydrophobicContact CB-CG 3.66Å; L72-F87 HydrophobicContact CD1-CD2 3.46Å; L72-F87 VanDerWaalsContact CD1-CD2 3.46Å; L72-F87 HydrophobicContact CD1-CE2 3.72Å; I83-F87 HydrophobicContact CG2-CE2 3.97Å; I83-F87 HydrophobicContact CG2-CZ 3.96Å; S84-F87 PolarHBondContact O-N 2.86Å; F87-T89 HydrophobicContact CB-CG2 3.72Å; F87-T89 PolarHBondContact O-N 3.22Å |
| 88 | D | 87.3 | Confident | 87 | Confident | 39 Ų | 39 | 57.3 Ų | 57.3 | 21% | 0.209 | 31% | 0.31 | C | S | . | . | trans | -71 | 50.9 | 171.8 | -175.7 | 40.2 | 0 | 0 | 0 | 111.2 | N59 S93 | N59-D88 PolarHBondContact ND2-O 3.25Å; N59-D88 PolarHBondContact ND2-OD2 2.9Å; D88-S93 WeakPolarHBondContact OD1-CA 3.4Å; D88-S93 WeakPolarHBondContact OD1-CB 3.43Å; D88-S93 PolarHBondContact OD1-OG 3.01Å | ||
| 89 | T | 83 | Confident | 86.6 | Confident | 6 Ų | 6 | 56.9 Ų | 56.9 | 4% | 0.037 | 31% | 0.309 | C | S | . | . | trans | -76.1 | 168.2 | 177.4 | 71.8 | 0 | 0 | 0 | 0 | 110.2 | L72 F87 H91 F92 S93 | L72-T89 HydrophobicContact CD2-CG2 3.88Å; F87-T89 HydrophobicContact CB-CG2 3.72Å; F87-T89 PolarHBondContact O-N 3.22Å; T89-H91 PolarHBondContact O-N 3.24Å; T89-H91 PolarHBondContact OG1-N 2.84Å; T89-F92 CarbonylContact O-C 3.49Å; T89-F92 PolarHBondContact O-N 3.24Å; T89-F92 VanDerWaalsContact OG1-CD2 3.29Å; T89-F92 WeakPolarHBondContact OG1-CD2 3.3Å; T89-S93 WeakPolarHBondContact O-CB 3.49Å; T89-S93 PolarHBondContact O-N 2.91Å | ||
| 90 | M | 77.7 | Confident | 86.3 | Confident | 16 Ų | 16 | 53.7 Ų | 53.7 | 8% | 0.079 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -14.5 | 178 | 74.8 | -177.2 | -53.8 | 0 | 0 | 116.1 | M97 Y109 R110 F111 Q263 | M90-M97 WeakPolarHBondContact CA-SD 3.18Å; M90-M97 HydrophobicContact CB-CB 4.45Å; M90-M97 HydrophobicContact CB-SD 3.66Å; M90-M97 PolarHBondContact N-SD 3.14Å; M90-M97 VanDerWaalsContact N-SD 3.36Å; M90-Y109 HydrophobicContact CG-CD1 3.83Å; M90-Y109 HydrophobicContact CG-CE1 4.43Å; M90-Y109 VanDerWaalsContact SD-CA 3.6Å; M90-Y109 WeakPolarHBondContact SD-CB 3.31Å; M90-Y109 HydrophobicContact SD-CD1 3.08Å; M90-Y109 WeakPolarHBondContact SD-CD1 3.36Å; M90-Y109 HydrophobicContact SD-CD2 4.47Å; M90-Y109 HydrophobicContact SD-CE1 4.05Å; M90-Y109 HydrophobicContact SD-CG 3.34Å; M90-R110 VanDerWaalsContact CE-C 3.45Å; M90-R110 HydrophobicContact CE-CB 4.05Å; M90-F111 HydrophobicContact CE-CD1 3.88Å; M90-F111 HydrophobicContact CE-CD2 3.75Å; M90-F111 HydrophobicContact CE-CE1 3.91Å; M90-F111 HydrophobicContact CE-CE2 3.73Å; M90-F111 HydrophobicContact CE-CG 3.83Å; M90-F111 HydrophobicContact CE-CZ 3.84Å; M90-F111 HydrophobicContact SD-CD2 4.24Å; M90-F111 HydrophobicContact SD-CE2 3.85Å; M90-F111 HydrophobicContact SD-CZ 4.2Å; M90-Q263 HydrophobicContact CE-CG 4.43Å |
| 91 | H | 79.4 | Confident | 85.9 | Confident | 74 Ų | 74 | 49.9 Ų | 49.9 | 34% | 0.343 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81 | -23.3 | 174.6 | -63.3 | -69 | 0 | 0 | 0 | 112.8 | T89 R108 Y109 | T89-H91 PolarHBondContact O-N 3.24Å; T89-H91 PolarHBondContact OG1-N 2.84Å; H91-R108 PolarHBondContact CE1-O 3.17Å; H91-R108 PolarHBondContact NE2-O 3.06Å; H91-Y109 AromaticContact NE2-CD1 3.91Å |
| 92 | F | 84.4 | Confident | 85.4 | Confident | 102 Ų | 102 | 45.7 Ų | 45.7 | 45% | 0.447 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -124.7 | -13.5 | -170.5 | -53.8 | -65.4 | 0 | 0 | 0 | 113.1 | S84 K85 T89 | S84-F92 WeakPolarHBondContact O-CD2 2.95Å; K85-F92 VanDerWaalsContact CA-CE2 3.44Å; K85-F92 HydrophobicContact CB-CE2 4.18Å; K85-F92 HydrophobicContact CB-CZ 4.11Å; K85-F92 HydrophobicContact CG-CE2 4.1Å; K85-F92 HydrophobicContact CG-CZ 3.77Å; T89-F92 CarbonylContact O-C 3.49Å; T89-F92 PolarHBondContact O-N 3.24Å; T89-F92 VanDerWaalsContact OG1-CD2 3.29Å; T89-F92 WeakPolarHBondContact OG1-CD2 3.3Å |
| 93 | S | 84.6 | Confident | 84.5 | Confident | 25 Ų | 25 | 46.8 Ų | 46.8 | 18% | 0.175 | 26% | 0.256 | C | S | . | . | trans | -66 | 142.5 | 178.6 | -161.7 | 0 | 0 | 0 | 0 | 112 | D88 T89 Q95 | D88-S93 WeakPolarHBondContact OD1-CA 3.4Å; D88-S93 WeakPolarHBondContact OD1-CB 3.43Å; D88-S93 PolarHBondContact OD1-OG 3.01Å; T89-S93 WeakPolarHBondContact O-CB 3.49Å; T89-S93 PolarHBondContact O-N 2.91Å; S93-Q95 PolarHBondContact OG-N 3.17Å | ||
| 94 | T | 83.7 | Confident | 83.4 | Confident | 143 Ų | 143 | 52.3 Ų | 52.3 | 88% | 0.877 | 29% | 0.286 | S | S | * | . | S | Bend | trans | -86.9 | -17.3 | 173.3 | 56.9 | 0 | 0 | 0 | 0 | 112.1 | ||
| 95 | Q | 88.4 | Confident | 82.5 | Confident | 52 Ų | 52 | 51.4 Ų | 51.4 | 24% | 0.243 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -91.4 | 139.9 | 174.8 | -67 | -174.8 | -1.6 | 0 | 0 | 109.8 | S93 M97 | S93-Q95 PolarHBondContact OG-N 3.17Å; Q95-M97 PolarHBondContact O-N 3.42Å |
| 96 | P | 88.8 | Confident | 81.4 | Confident | 33 Ų | 33 | 46.6 Ų | 46.6 | 21% | 0.214 | 26% | 0.26 | C | S | . | . | trans | -60.3 | 142.4 | 169.1 | 29.5 | -35.5 | 0 | 0 | 0 | 109 | V66 S67 T266 | V66-P96 WeakPolarHBondContact CG1-O 3.47Å; V66-P96 HydrophobicContact CG2-CG 4.14Å; S67-P96 PolarHBondContact N-O 3.14Å; P96-T266 HydrophobicContact CB-CG2 3.74Å; P96-T266 HydrophobicContact CG-CG2 4.27Å | ||
| 97 | M | 87.6 | Confident | 80.2 | Confident | 7 Ų | 7 | 48.7 Ų | 48.7 | 3% | 0.034 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 148.7 | -174.6 | -67.8 | -172.5 | 75.6 | 0 | 0 | 113.6 | S67 M90 Q95 Q263 T266 | S67-M97 WeakPolarHBondContact O-CA 3.42Å; M90-M97 WeakPolarHBondContact CA-SD 3.18Å; M90-M97 HydrophobicContact CB-CB 4.45Å; M90-M97 HydrophobicContact CB-SD 3.66Å; M90-M97 PolarHBondContact N-SD 3.14Å; M90-M97 VanDerWaalsContact N-SD 3.36Å; Q95-M97 PolarHBondContact O-N 3.42Å; M97-Q263 WeakPolarHBondContact O-CB 3.45Å; M97-Q263 PolarHBondContact O-N 3.43Å; M97-T266 WeakPolarHBondContact O-CG2 3.2Å |
| 98 | L | 86.9 | Confident | 79 | Confident | 3 Ų | 3 | 56.3 Ų | 56.3 | 2% | 0.016 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 160.7 | 165.3 | 64.7 | 86.9 | 0 | 0 | 0 | 110.3 | V66 S67 M68 G69 Y262 T266 M269 P286 | V66-L98 HydrophobicContact CG1-CD2 3.85Å; V66-L98 HydrophobicContact CG1-CG 4.25Å; S67-L98 PolarHBondContact O-N 3Å; S67-L98 VanDerWaalsContact O-N 3.09Å; M68-L98 WeakPolarHBondContact CA-O 3.49Å; M68-L98 HydrophobicContact CB-CD1 4.1Å; M68-L98 HydrophobicContact CE-CD1 4.14Å; M68-L98 HydrophobicContact CG-CD1 3.69Å; M68-L98 HydrophobicContact SD-CD1 4.21Å; G69-L98 PolarHBondContact N-O 3.14Å; L98-Y262 HydrophobicContact CB-CD1 3.38Å; L98-Y262 HydrophobicContact CB-CE1 3.6Å; L98-Y262 HydrophobicContact CB-CG 4.47Å; L98-Y262 HydrophobicContact CD2-CD1 4.35Å; L98-Y262 HydrophobicContact CD2-CE1 4.04Å; L98-Y262 HydrophobicContact CG-CD1 4.44Å; L98-Y262 HydrophobicContact CG-CE1 4.29Å; L98-T266 HydrophobicContact CB-CG2 4.44Å; L98-M269 HydrophobicContact CD2-CE 3.4Å; L98-M269 HydrophobicContact CD2-SD 3.56Å; L98-M269 VanDerWaalsContact CD2-SD 3.56Å; L98-P286 VanDerWaalsContact CD1-CD 3.44Å; L98-P286 HydrophobicContact CD1-CG 4.03Å; L98-P286 HydrophobicContact CD2-CG 4.47Å |
| 99 | G | 84.4 | Confident | 78.1 | Confident | 4 Ų | 4 | 57.1 Ų | 57.1 | 4% | 0.041 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 177 | 171.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | T261 | G99-T261 PolarHBondContact N-O 3.25Å; G99-T261 VanDerWaalsContact N-O 3.07Å; G99-T261 PolarHBondContact O-N 2.8Å; G99-T261 VanDerWaalsContact O-O 3.12Å; G99-T261 PolarHBondContact O-OG1 3.21Å |
| 100 | N | 83.4 | Confident | 77.4 | Confident | 29 Ų | 29 | 65.4 Ų | 65.4 | 16% | 0.155 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 134 | 169 | -62.4 | -20 | 0 | 0 | 0 | 109.1 | L118 E258 L259 | N100-L118 HydrophobicContact CB-CD1 4.31Å; N100-L118 VanDerWaalsContact CG-CD1 3.44Å; N100-L118 WeakPolarHBondContact ND2-CD1 3.31Å; N100-L118 WeakPolarHBondContact OD1-CD1 3.13Å; N100-E258 HydrophobicContact CB-CB 4.28Å; N100-E258 WeakPolarHBondContact CB-OE2 3.49Å; N100-E258 PolarHBondContact ND2-OE2 3.24Å; N100-L259 WeakPolarHBondContact CA-O 3.48Å |
| 101 | V | 80.1 | Confident | 77.3 | Confident | 9 Ų | 9 | 65.9 Ų | 65.9 | 6% | 0.055 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 136.8 | 178.9 | -69.9 | 0 | 0 | 0 | 0 | 110.9 | I106 Y109 F111 E258 L259 T261 | V101-I106 HydrophobicContact CB-CG1 4.24Å; V101-I106 HydrophobicContact CG2-CD1 4.31Å; V101-I106 HydrophobicContact CG2-CG1 3.47Å; V101-I106 VanDerWaalsContact CG2-CG1 3.47Å; V101-Y109 HydrophobicContact CG1-CD2 3.92Å; V101-Y109 HydrophobicContact CG1-CE2 4.41Å; V101-F111 HydrophobicContact CG1-CD2 4.07Å; V101-F111 HydrophobicContact CG1-CE2 3.47Å; V101-F111 VanDerWaalsContact CG1-CE2 3.47Å; V101-F111 HydrophobicContact CG1-CZ 4.32Å; V101-E258 CarbonylContact O-C 3.47Å; V101-E258 WeakPolarHBondContact O-CA 3.43Å; V101-L259 HydrophobicContact CG2-CB 4.33Å; V101-L259 PolarHBondContact N-O 3.41Å; V101-L259 PolarHBondContact O-N 3.48Å; V101-T261 HydrophobicContact CG2-CG2 3.65Å |
| 102 | S | 76.6 | Confident | 77.3 | Confident | 44 Ų | 44 | 66.6 Ų | 66.6 | 31% | 0.308 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 163.2 | 167.1 | 69.2 | 0 | 0 | 0 | 0 | 111.4 | D104 S105 I106 | S102-D104 PolarHBondContact O-N 2.96Å; S102-D104 VanDerWaalsContact O-N 3.15Å; S102-S105 WeakPolarHBondContact O-CB 3.44Å; S102-S105 PolarHBondContact O-N 3.08Å; S102-S105 PolarHBondContact OG-OG 2.77Å; S102-I106 WeakPolarHBondContact O-CG1 3.46Å; S102-I106 PolarHBondContact O-N 3.35Å; S102-I106 VanDerWaalsContact O-N 3.15Å |
| 103 | G | 70 | Confident | 77.2 | Confident | 47 Ų | 47 | 63.4 Ų | 63.4 | 49% | 0.485 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -46.8 | -41.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 104 | D | 66.8 | Low | 77.1 | Confident | 128 Ų | 128 | 68.6 Ų | 68.6 | 68% | 0.684 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -75.7 | -32.5 | -177.8 | -68.4 | -31.4 | 0 | 0 | 0 | 113.1 | S102 | S102-D104 PolarHBondContact O-N 2.96Å; S102-D104 VanDerWaalsContact O-N 3.15Å |
| 105 | S | 69.2 | Low | 77.2 | Confident | 30 Ų | 30 | 63.5 Ų | 63.5 | 21% | 0.21 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -71.7 | -35.4 | 179.4 | -80.5 | 0 | 0 | 0 | 0 | 112.3 | S102 K107 R108 Y109 | S102-S105 WeakPolarHBondContact O-CB 3.44Å; S102-S105 PolarHBondContact O-N 3.08Å; S102-S105 PolarHBondContact OG-OG 2.77Å; S105-K107 PolarHBondContact O-N 2.9Å; S105-K107 VanDerWaalsContact O-N 3.11Å; S105-R108 WeakPolarHBondContact O-CB 3.26Å; S105-R108 PolarHBondContact O-N 3.15Å; S105-Y109 WeakPolarHBondContact O-CD2 3.39Å |
| 106 | I | 66.3 | Low | 77.2 | Confident | 43 Ų | 43 | 62.5 Ų | 62.5 | 22% | 0.221 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -48 | -42.7 | 179.7 | -76.5 | 166.2 | 0 | 0 | 0 | 113.2 | V101 S102 R108 Y109 W114 L259 | V101-I106 HydrophobicContact CB-CG1 4.24Å; V101-I106 HydrophobicContact CG2-CD1 4.31Å; V101-I106 HydrophobicContact CG2-CG1 3.47Å; V101-I106 VanDerWaalsContact CG2-CG1 3.47Å; S102-I106 WeakPolarHBondContact O-CG1 3.46Å; S102-I106 PolarHBondContact O-N 3.35Å; S102-I106 VanDerWaalsContact O-N 3.15Å; I106-R108 PolarHBondContact O-N 3.04Å; I106-R108 VanDerWaalsContact O-N 3.09Å; I106-Y109 PolarHBondContact O-N 2.99Å; I106-W114 HydrophobicContact CB-CH2 4.02Å; I106-W114 HydrophobicContact CB-CZ3 4.41Å; I106-W114 HydrophobicContact CD1-CH2 4.22Å; I106-W114 HydrophobicContact CD1-CZ3 3.79Å; I106-W114 HydrophobicContact CG1-CH2 3.78Å; I106-W114 HydrophobicContact CG1-CZ3 3.68Å; I106-W114 HydrophobicContact CG2-CH2 3.33Å; I106-W114 HydrophobicContact CG2-CZ2 4.2Å; I106-W114 HydrophobicContact CG2-CZ3 4.03Å; I106-L259 HydrophobicContact CD1-CB 4.19Å; I106-L259 HydrophobicContact CD1-CD1 3.34Å; I106-L259 HydrophobicContact CD1-CG 3.78Å; I106-L259 HydrophobicContact CG1-CD1 4.45Å |
| 107 | K | 65.3 | Low | 77.3 | Confident | 185 Ų | 185 | 65.8 Ų | 65.8 | 80% | 0.804 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -15.6 | -176.7 | -65.9 | -180 | -178.2 | 172.6 | 0 | 113.4 | S105 | S105-K107 PolarHBondContact O-N 2.9Å; S105-K107 VanDerWaalsContact O-N 3.11Å |
| 108 | R | 65.9 | Low | 77.5 | Confident | 163 Ų | 163 | 65.4 Ų | 65.4 | 62% | 0.615 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.9 | -18 | -172.5 | -60 | -179.6 | 179.5 | 179.8 | -0.2 | 113.3 | H91 S105 I106 | H91-R108 PolarHBondContact CE1-O 3.17Å; H91-R108 PolarHBondContact NE2-O 3.06Å; S105-R108 WeakPolarHBondContact O-CB 3.26Å; S105-R108 PolarHBondContact O-N 3.15Å; I106-R108 PolarHBondContact O-N 3.04Å; I106-R108 VanDerWaalsContact O-N 3.09Å |
| 109 | Y | 66.7 | Low | 77.8 | Confident | 57 Ų | 57 | 65.8 Ų | 65.8 | 22% | 0.224 | 32% | 0.319 | C | S | . | . | trans | -117 | 138.9 | -155.8 | -73.8 | -41.6 | 0 | 0 | 0 | 113.3 | M90 H91 V101 S105 I106 F111 | M90-Y109 HydrophobicContact CG-CD1 3.83Å; M90-Y109 HydrophobicContact CG-CE1 4.43Å; M90-Y109 VanDerWaalsContact SD-CA 3.6Å; M90-Y109 WeakPolarHBondContact SD-CB 3.31Å; M90-Y109 HydrophobicContact SD-CD1 3.08Å; M90-Y109 WeakPolarHBondContact SD-CD1 3.36Å; M90-Y109 HydrophobicContact SD-CD2 4.47Å; M90-Y109 HydrophobicContact SD-CE1 4.05Å; M90-Y109 HydrophobicContact SD-CG 3.34Å; H91-Y109 AromaticContact NE2-CD1 3.91Å; V101-Y109 HydrophobicContact CG1-CD2 3.92Å; V101-Y109 HydrophobicContact CG1-CE2 4.41Å; S105-Y109 WeakPolarHBondContact O-CD2 3.39Å; I106-Y109 PolarHBondContact O-N 2.99Å; Y109-F111 HydrophobicContact CD2-CE2 4.44Å; Y109-F111 HydrophobicContact CG-CE2 4.29Å; Y109-F111 PolarHBondContact O-N 2.78Å | ||
| 110 | R | 69.5 | Low | 78.1 | Confident | 180 Ų | 180 | 66 Ų | 66 | 68% | 0.679 | 32% | 0.319 | S | S | * | . | trans | -77.9 | 37.6 | -178.2 | -66.3 | -173.1 | 174.5 | -177.4 | -1.4 | 113.4 | M90 D112 | M90-R110 VanDerWaalsContact CE-C 3.45Å; M90-R110 HydrophobicContact CE-CB 4.05Å; R110-D112 PolarHBondContact O-N 3.05Å | ||
| 111 | F | 76.4 | Confident | 78.7 | Confident | 26 Ų | 26 | 66.9 Ų | 66.9 | 11% | 0.114 | 32% | 0.32 | C | S | . | . | trans | -74.2 | 126.7 | 171.8 | -69.4 | -67.3 | 0 | 0 | 0 | 108.8 | M90 V101 Y109 T261 Q263 | M90-F111 HydrophobicContact CE-CD1 3.88Å; M90-F111 HydrophobicContact CE-CD2 3.75Å; M90-F111 HydrophobicContact CE-CE1 3.91Å; M90-F111 HydrophobicContact CE-CE2 3.73Å; M90-F111 HydrophobicContact CE-CG 3.83Å; M90-F111 HydrophobicContact CE-CZ 3.84Å; M90-F111 HydrophobicContact SD-CD2 4.24Å; M90-F111 HydrophobicContact SD-CE2 3.85Å; M90-F111 HydrophobicContact SD-CZ 4.2Å; V101-F111 HydrophobicContact CG1-CD2 4.07Å; V101-F111 HydrophobicContact CG1-CE2 3.47Å; V101-F111 VanDerWaalsContact CG1-CE2 3.47Å; V101-F111 HydrophobicContact CG1-CZ 4.32Å; Y109-F111 HydrophobicContact CD2-CE2 4.44Å; Y109-F111 HydrophobicContact CG-CE2 4.29Å; Y109-F111 PolarHBondContact O-N 2.78Å; F111-T261 HydrophobicContact CB-CG2 4.22Å; F111-T261 WeakPolarHBondContact CD1-OG1 3.46Å; F111-T261 HydrophobicContact CD2-CG2 4.39Å; F111-T261 VanDerWaalsContact CD2-OG1 3.25Å; F111-T261 WeakPolarHBondContact CD2-OG1 3.24Å; F111-T261 WeakPolarHBondContact CE2-OG1 3.46Å; F111-T261 HydrophobicContact CG-CG2 4.25Å; F111-T261 WeakPolarHBondContact CG-OG1 3.31Å; F111-T261 WeakPolarHBondContact CZ-OG1 3.41Å; F111-Q263 HydrophobicContact CD1-CG 4.48Å | ||
| 112 | D | 79.3 | Confident | 79.4 | Confident | 89 Ų | 89 | 67.2 Ų | 67.2 | 48% | 0.476 | 32% | 0.323 | S | S | . | . | trans | -109 | -6.8 | -178.1 | 60.6 | -5.6 | 0 | 0 | 0 | 112.4 | R110 Y262 Q263 T264 | R110-D112 PolarHBondContact O-N 3.05Å; D112-Y262 PolarHBondContact N-O 3.15Å; D112-Y262 VanDerWaalsContact OD1-O 3.04Å; D112-Q263 VanDerWaalsContact OD1-C 3.3Å; D112-Q263 VanDerWaalsContact OD1-CA 3.24Å; D112-Q263 WeakPolarHBondContact OD1-CA 3.26Å; D112-T264 VanDerWaalsContact CG-OG1 3.23Å; D112-T264 PolarHBondContact OD1-N 2.55Å; D112-T264 PolarHBondContact OD1-OG1 3.41Å; D112-T264 WeakPolarHBondContact OD2-CB 3.12Å; D112-T264 PolarHBondContact OD2-N 3.41Å; D112-T264 PolarHBondContact OD2-OG1 3.29Å | ||
| 113 | I | 81.8 | Confident | 80.3 | Confident | 35 Ų | 35 | 65.8 Ų | 65.8 | 18% | 0.179 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 120.3 | 176.2 | -61.6 | 167.1 | 0 | 0 | 0 | 109.7 | T261 Y262 R267 | I113-T261 WeakPolarHBondContact O-CA 3.02Å; I113-Y262 HydrophobicContact CG2-CD2 4.19Å; I113-Y262 PolarHBondContact N-O 3.32Å; I113-Y262 VanDerWaalsContact N-O 3.14Å; I113-Y262 PolarHBondContact O-N 2.81Å; I113-R267 HydrophobicContact CD1-CG 3.66Å |
| 114 | W | 82.7 | Confident | 81.6 | Confident | 134 Ų | 134 | 69.5 Ų | 69.5 | 51% | 0.508 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 112.3 | 171.7 | -54.1 | 85.7 | 0 | 0 | 0 | 108.1 | I106 L259 T261 | I106-W114 HydrophobicContact CB-CH2 4.02Å; I106-W114 HydrophobicContact CB-CZ3 4.41Å; I106-W114 HydrophobicContact CD1-CH2 4.22Å; I106-W114 HydrophobicContact CD1-CZ3 3.79Å; I106-W114 HydrophobicContact CG1-CH2 3.78Å; I106-W114 HydrophobicContact CG1-CZ3 3.68Å; I106-W114 HydrophobicContact CG2-CH2 3.33Å; I106-W114 HydrophobicContact CG2-CZ2 4.2Å; I106-W114 HydrophobicContact CG2-CZ3 4.03Å; W114-L259 HydrophobicContact CE3-CB 4.23Å; W114-L259 HydrophobicContact CE3-CD1 3.54Å; W114-L259 HydrophobicContact CZ3-CB 4.2Å; W114-L259 HydrophobicContact CZ3-CD1 3.52Å; W114-L259 HydrophobicContact CZ3-CG 4.48Å; W114-T261 HydrophobicContact CD2-CG2 4.45Å; W114-T261 HydrophobicContact CE3-CG2 3.67Å; W114-T261 HydrophobicContact CH2-CG2 4.42Å; W114-T261 HydrophobicContact CZ3-CG2 3.62Å |
| 115 | A | 85.7 | Confident | 83 | Confident | 35 Ų | 35 | 63.4 Ų | 63.4 | 29% | 0.289 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | -48 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | R260 Y262 | A115-R260 PolarHBondContact N-O 2.84Å; A115-Y262 HydrophobicContact CB-CD2 3.74Å; A115-Y262 HydrophobicContact CB-CE2 3.38Å |
| 116 | E | 86.9 | Confident | 84.3 | Confident | 32 Ų | 32 | 64 Ų | 64 | 15% | 0.15 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.3 | 149.6 | -167.8 | -166.3 | 150.1 | -135.4 | 0 | 0 | 113.4 | L118 P237 L259 R260 M275 | E116-L118 HydrophobicContact CG-CD2 4.31Å; E116-P237 HydrophobicContact CG-CB 4.28Å; E116-P237 WeakPolarHBondContact OE1-CB 3.34Å; E116-L259 WeakPolarHBondContact O-CA 3.31Å; E116-R260 HydrophobicContact CB-CB 4.26Å; E116-R260 PolarHBondContact O-N 2.9Å; E116-R260 IonicContact OE2-CZ 3.81Å; E116-R260 IonicContact OE2-NE 2.7Å; E116-R260 IonicContact OE2-NH2 2.99Å; E116-R260 PolarHBondContact OE2-NH2 3.01Å; E116-M275 WeakPolarHBondContact OE2-CE 3.49Å |
| 117 | K | 91.9 | Very high | 85.6 | Confident | 101 Ų | 101 | 63.2 Ų | 63.2 | 44% | 0.439 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 128.8 | 167.9 | -178.3 | -177.5 | 179.3 | -179.5 | 0 | 109 | A238 I257 L259 | K117-A238 HydrophobicContact CB-CB 4.08Å; K117-A238 HydrophobicContact CD-CB 4.11Å; K117-A238 HydrophobicContact CG-CB 3.99Å; K117-A238 VanDerWaalsContact O-CB 3.27Å; K117-A238 WeakPolarHBondContact O-CB 3.42Å; K117-A238 PolarHBondContact O-N 3.04Å; K117-I257 HydrophobicContact CD-CG2 4.32Å; K117-I257 VanDerWaalsContact CE-CG2 3.45Å; K117-I257 HydrophobicContact CG-CG2 3.99Å; K117-L259 HydrophobicContact CB-CD2 3.9Å; K117-L259 HydrophobicContact CG-CD2 4.04Å |
| 118 | L | 91.5 | Very high | 87 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 142.6 | 175.9 | -51.7 | 172.7 | 0 | 0 | 0 | 108.8 | N100 E116 L235 F236 P237 I257 E258 R260 M281 | N100-L118 HydrophobicContact CB-CD1 4.31Å; N100-L118 VanDerWaalsContact CG-CD1 3.44Å; N100-L118 WeakPolarHBondContact ND2-CD1 3.31Å; N100-L118 WeakPolarHBondContact OD1-CD1 3.13Å; E116-L118 HydrophobicContact CG-CD2 4.31Å; L118-L235 HydrophobicContact CB-CD1 3.93Å; L118-F236 WeakPolarHBondContact CA-O 3.4Å; L118-P237 HydrophobicContact CD2-CG 4.43Å; L118-I257 WeakPolarHBondContact O-CA 3.45Å; L118-E258 HydrophobicContact CB-CB 4.25Å; L118-E258 HydrophobicContact CD1-CB 4.37Å; L118-E258 PolarHBondContact N-O 2.91Å; L118-E258 PolarHBondContact O-N 2.68Å; L118-E258 VanDerWaalsContact O-N 3.09Å; L118-R260 HydrophobicContact CD1-CB 4.02Å; L118-R260 HydrophobicContact CG-CB 4.28Å; L118-M281 HydrophobicContact CB-CE 4.37Å; L118-M281 HydrophobicContact CD1-CE 3.44Å; L118-M281 VanDerWaalsContact CD1-CE 3.44Å; L118-M281 HydrophobicContact CD2-CE 3.36Å; L118-M281 HydrophobicContact CD2-SD 4Å; L118-M281 HydrophobicContact CG-CE 3.84Å |
| 119 | V | 93 | Very high | 88.5 | Confident | 11 Ų | 11 | 56.5 Ų | 56.5 | 7% | 0.067 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 131 | 178.9 | -71.5 | 0 | 0 | 0 | 0 | 109 | Y121 F236 A238 L254 I257 | V119-Y121 HydrophobicContact CB-CD2 4.31Å; V119-Y121 HydrophobicContact CB-CE2 3.95Å; V119-Y121 HydrophobicContact CG2-CD2 4.24Å; V119-Y121 HydrophobicContact CG2-CE2 3.88Å; V119-F236 HydrophobicContact CG2-CD2 3.93Å; V119-F236 HydrophobicContact CG2-CE1 4.3Å; V119-F236 HydrophobicContact CG2-CE2 3.56Å; V119-F236 HydrophobicContact CG2-CG 4.43Å; V119-F236 HydrophobicContact CG2-CZ 3.77Å; V119-F236 PolarHBondContact N-O 2.83Å; V119-F236 PolarHBondContact O-N 3.48Å; V119-A238 HydrophobicContact CG1-CB 3.83Å; V119-A238 HydrophobicContact CG2-CB 4.15Å; V119-L254 HydrophobicContact CB-CD1 3.73Å; V119-L254 HydrophobicContact CG1-CD1 3.89Å; V119-I257 HydrophobicContact CG1-CG1 4.47Å |
| 120 | E | 92 | Very high | 89.9 | Confident | 9 Ų | 9 | 54.6 Ų | 54.6 | 4% | 0.042 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 129.1 | 172.2 | -169.9 | -173 | 51.5 | 0 | 0 | 109.6 | V27 M234 L235 L254 T255 T256 | V27-E120 WeakPolarHBondContact CG1-OE2 3.46Å; V27-E120 WeakPolarHBondContact CG2-OE2 3.49Å; E120-M234 CarbonylContact C-O 3.52Å; E120-M234 VanDerWaalsContact CA-O 3.27Å; E120-M234 WeakPolarHBondContact CA-O 3.05Å; E120-L235 HydrophobicContact CB-CD1 4.01Å; E120-L254 WeakPolarHBondContact O-CA 3.24Å; E120-L254 WeakPolarHBondContact O-CD1 3.34Å; E120-T255 WeakPolarHBondContact CG-OG1 3.14Å; E120-T255 PolarHBondContact O-N 2.98Å; E120-T255 PolarHBondContact O-OG1 3.49Å; E120-T255 PolarHBondContact OE1-OG1 3.28Å; E120-T256 PolarHBondContact N-O 2.85Å; E120-T256 WeakPolarHBondContact OE1-CB 3.42Å; E120-T256 PolarHBondContact OE1-OG1 2.85Å |
| 121 | Y | 94.9 | Very high | 91.1 | Very high | 46 Ų | 46 | 55 Ų | 55 | 18% | 0.18 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 137 | 171.8 | -80.2 | -103.9 | 0 | 0 | 0 | 110.4 | V119 C233 M234 F236 V247 L252 R253 L254 | V119-Y121 HydrophobicContact CB-CD2 4.31Å; V119-Y121 HydrophobicContact CB-CE2 3.95Å; V119-Y121 HydrophobicContact CG2-CD2 4.24Å; V119-Y121 HydrophobicContact CG2-CE2 3.88Å; Y121-C233 WeakPolarHBondContact O-CA 3.35Å; Y121-M234 PolarHBondContact N-O 3.18Å; Y121-M234 PolarHBondContact O-N 2.79Å; Y121-F236 AromaticContact CD2-CE1 3.72Å; Y121-F236 HydrophobicContact CD2-CE1 3.72Å; Y121-F236 AromaticContact CD2-CZ 3.68Å; Y121-F236 HydrophobicContact CD2-CZ 3.68Å; Y121-F236 HydrophobicContact CE2-CE1 4.44Å; Y121-F236 AromaticContact CE2-CZ 3.95Å; Y121-F236 HydrophobicContact CE2-CZ 3.95Å; Y121-F236 HydrophobicContact CG-CE1 4.4Å; Y121-V247 HydrophobicContact CD1-CB 4.04Å; Y121-V247 HydrophobicContact CD1-CG2 3.63Å; Y121-V247 HydrophobicContact CD2-CG2 4Å; Y121-V247 HydrophobicContact CE1-CG2 3.82Å; Y121-V247 HydrophobicContact CE2-CG2 4.16Å; Y121-V247 HydrophobicContact CG-CB 4.05Å; Y121-V247 HydrophobicContact CG-CG1 4.41Å; Y121-V247 HydrophobicContact CG-CG2 3.73Å; Y121-L252 HydrophobicContact CD1-CB 4.21Å; Y121-L252 WeakPolarHBondContact CD1-O 3.11Å; Y121-R253 CarbonylContact C-O 3.54Å; Y121-R253 VanDerWaalsContact CA-O 3.26Å; Y121-R253 WeakPolarHBondContact CA-O 3.22Å; Y121-L254 HydrophobicContact CD1-CB 4.44Å; Y121-L254 HydrophobicContact CD2-CD1 4.18Å; Y121-L254 HydrophobicContact CE1-CB 3.96Å; Y121-L254 HydrophobicContact CE2-CB 4.33Å; Y121-L254 HydrophobicContact CE2-CD1 3.71Å |
| 122 | S | 94.4 | Very high | 92 | Very high | 16 Ų | 16 | 59.9 Ų | 59.9 | 11% | 0.112 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 158.5 | 176.6 | 96.2 | 0 | 0 | 0 | 0 | 113.7 | H231 I232 R253 T255 | S122-H231 PolarHBondContact OG-CE1 2.98Å; S122-H231 PolarHBondContact OG-NE2 3.13Å; S122-I232 WeakPolarHBondContact CA-O 3.15Å; S122-I232 WeakPolarHBondContact CB-O 3.35Å; S122-R253 PolarHBondContact N-O 3.25Å; S122-R253 PolarHBondContact O-N 3.25Å; S122-T255 WeakPolarHBondContact OG-CG2 3.09Å |
| 123 | G | 96.3 | Very high | 92.9 | Very high | 15 Ų | 15 | 56.5 Ų | 56.5 | 16% | 0.155 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 162.3 | -176.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | H231 I232 | G123-H231 PolarHBondContact N-NE2 3.29Å; G123-H231 CarbonylContact O-C 3.59Å; G123-H231 WeakPolarHBondContact O-CA 3.48Å; G123-H231 PolarHBondContact O-CD2 2.97Å; G123-I232 PolarHBondContact N-O 2.81Å; G123-I232 VanDerWaalsContact N-O 3.12Å; G123-I232 WeakPolarHBondContact O-CG2 3.31Å; G123-I232 PolarHBondContact O-N 2.74Å |
| 124 | F | 97.7 | Very high | 93.5 | Very high | 125 Ų | 125 | 65.8 Ų | 65.8 | 55% | 0.548 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 144.4 | 173.8 | -69.4 | -74.3 | 0 | 0 | 0 | 111.4 | Q126 D230 | F124-Q126 PolarHBondContact O-N 3.01Å; F124-D230 CarbonylContact C-O 3.44Å; F124-D230 WeakPolarHBondContact CA-O 2.92Å |
| 125 | A | 96.7 | Very high | 94 | Very high | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 30% | 0.296 | C | S | . | . | trans | -73.5 | 95.8 | -177.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | C127 F223 L226 S228 D230 | A125-C127 VanDerWaalsContact C-N 3.32Å; A125-C127 PolarHBondContact O-N 3.46Å; A125-F223 HydrophobicContact CB-CE1 3.95Å; A125-F223 HydrophobicContact CB-CZ 3.96Å; A125-L226 HydrophobicContact CB-CB 3.62Å; A125-L226 HydrophobicContact CB-CD1 3.83Å; A125-L226 HydrophobicContact CB-CG 4.34Å; A125-S228 WeakPolarHBondContact O-CA 2.7Å; A125-D230 PolarHBondContact N-O 2.78Å | ||
| 126 | Q | 95.5 | Very high | 94.5 | Very high | 42 Ų | 42 | 65.5 Ų | 65.5 | 20% | 0.196 | 29% | 0.292 | C | S | . | . | trans | -89.9 | 61 | 177.9 | -58.9 | -170.5 | 49.5 | 0 | 0 | 111.9 | F124 W128 L129 L250 | F124-Q126 PolarHBondContact O-N 3.01Å; Q126-W128 HydrophobicContact CB-CH2 3.89Å; Q126-W128 HydrophobicContact CB-CZ2 3.82Å; Q126-W128 HydrophobicContact CB-CZ3 4.25Å; Q126-W128 HydrophobicContact CG-CH2 3.75Å; Q126-W128 HydrophobicContact CG-CZ2 3.81Å; Q126-W128 HydrophobicContact CG-CZ3 4.49Å; Q126-W128 PolarHBondContact O-N 3.07Å; Q126-W128 VanDerWaalsContact O-N 3.14Å; Q126-L129 HydrophobicContact CB-CD1 3.7Å; Q126-L129 HydrophobicContact CB-CG 4.03Å; Q126-L129 HydrophobicContact CG-CD1 4.44Å; Q126-L129 WeakPolarHBondContact O-CB 3.03Å; Q126-L129 PolarHBondContact O-N 2.92Å; Q126-L129 VanDerWaalsContact OE1-CD1 3.28Å; Q126-L250 VanDerWaalsContact O-CD2 3.31Å; Q126-L250 WeakPolarHBondContact O-CD2 3.44Å | ||
| 127 | C | 93.2 | Very high | 94.9 | Very high | 27 Ų | 27 | 72.8 Ų | 72.8 | 18% | 0.182 | 33% | 0.326 | C | S | . | . | G | 310 helix | trans | -58.2 | -30.8 | -170.3 | 60.2 | 0 | 0 | 0 | 0 | 114.2 | A125 L129 L130 F223 | A125-C127 VanDerWaalsContact C-N 3.32Å; A125-C127 PolarHBondContact O-N 3.46Å; C127-L129 PolarHBondContact O-N 2.88Å; C127-L129 VanDerWaalsContact O-N 3.12Å; C127-L130 WeakPolarHBondContact O-CB 3.41Å; C127-L130 PolarHBondContact O-N 2.88Å; C127-F223 HydrophobicContact CB-CD1 3.93Å; C127-F223 HydrophobicContact CB-CE1 4.09Å |
| 128 | W | 94.6 | Very high | 95.1 | Very high | 159 Ų | 159 | 70.4 Ų | 70.4 | 60% | 0.602 | 33% | 0.33 | S | S | * | . | G | 310 helix | trans | -63.6 | -15.3 | 176.3 | 65.2 | 88 | 0 | 0 | 0 | 114 | Q126 L130 | Q126-W128 HydrophobicContact CB-CH2 3.89Å; Q126-W128 HydrophobicContact CB-CZ2 3.82Å; Q126-W128 HydrophobicContact CB-CZ3 4.25Å; Q126-W128 HydrophobicContact CG-CH2 3.75Å; Q126-W128 HydrophobicContact CG-CZ2 3.81Å; Q126-W128 HydrophobicContact CG-CZ3 4.49Å; Q126-W128 PolarHBondContact O-N 3.07Å; Q126-W128 VanDerWaalsContact O-N 3.14Å; W128-L130 VanDerWaalsContact C-N 3.33Å |
| 129 | L | 96.8 | Very high | 95.4 | Very high | 48 Ų | 48 | 73.7 Ų | 73.7 | 25% | 0.251 | 35% | 0.345 | S | S | . | . | G | 310 helix | trans | -80.1 | -15.3 | 173.9 | -62.3 | -179 | 0 | 0 | 0 | 112.6 | Q126 C127 R249 Q251 | Q126-L129 HydrophobicContact CB-CD1 3.7Å; Q126-L129 HydrophobicContact CB-CG 4.03Å; Q126-L129 HydrophobicContact CG-CD1 4.44Å; Q126-L129 WeakPolarHBondContact O-CB 3.03Å; Q126-L129 PolarHBondContact O-N 2.92Å; Q126-L129 VanDerWaalsContact OE1-CD1 3.28Å; C127-L129 PolarHBondContact O-N 2.88Å; C127-L129 VanDerWaalsContact O-N 3.12Å; L129-R249 HydrophobicContact CB-CG 4.39Å; L129-R249 WeakPolarHBondContact CB-O 3.4Å; L129-R249 VanDerWaalsContact CD1-O 3.23Å; L129-R249 WeakPolarHBondContact CD1-O 3.32Å; L129-R249 WeakPolarHBondContact O-CD 3.44Å; L129-R249 WeakPolarHBondContact O-CG 3.47Å; L129-Q251 HydrophobicContact CD1-CG 4Å |
| 130 | L | 96.1 | Very high | 95.6 | Very high | 16 Ų | 16 | 78 Ų | 78 | 8% | 0.084 | 36% | 0.36 | C | S | . | . | P | Polyproline II helix | trans | -78 | 139.2 | 177.4 | -64.9 | 175.5 | 0 | 0 | 0 | 111.2 | C127 W128 F219 Y220 F223 L246 L250 | C127-L130 WeakPolarHBondContact O-CB 3.41Å; C127-L130 PolarHBondContact O-N 2.88Å; W128-L130 VanDerWaalsContact C-N 3.33Å; L130-F219 HydrophobicContact CD1-CD1 4.39Å; L130-F219 HydrophobicContact CD1-CE1 3.87Å; L130-F219 HydrophobicContact CD2-CE1 3.98Å; L130-Y220 HydrophobicContact CB-CD2 4.17Å; L130-Y220 HydrophobicContact CB-CE2 4.26Å; L130-F223 HydrophobicContact CD1-CB 3.92Å; L130-F223 HydrophobicContact CD1-CD1 3.55Å; L130-F223 HydrophobicContact CD1-CE1 4.27Å; L130-F223 HydrophobicContact CD1-CG 3.82Å; L130-L246 HydrophobicContact CD2-CD2 4.13Å; L130-L250 HydrophobicContact CD1-CD2 4.14Å; L130-L250 HydrophobicContact CD2-CD1 4.06Å; L130-L250 HydrophobicContact CD2-CD2 3.83Å; L130-L250 HydrophobicContact CD2-CG 3.79Å; L130-L250 HydrophobicContact CG-CD2 3.69Å; L130-L250 HydrophobicContact CG-CG 4.24Å |
| 131 | R | 95 | Very high | 95.9 | Very high | 188 Ų | 188 | 79.3 Ų | 79.3 | 71% | 0.709 | 37% | 0.367 | S | S | * | . | P | Polyproline II helix | trans | -90.2 | 138 | 168.6 | -64.9 | -178 | -179.8 | 175.6 | -1.1 | 108.4 | P133 Y220 | R131-P133 WeakPolarHBondContact O-CD 3.47Å; R131-Y220 WeakPolarHBondContact O-CD2 3.02Å |
| 132 | K | 96.8 | Very high | 96.1 | Very high | 130 Ų | 130 | 78.9 Ų | 78.9 | 57% | 0.565 | 37% | 0.367 | S | S | * | . | P | Polyproline II helix | trans | -57.5 | 124 | 170.3 | -167.5 | -169.8 | 168.3 | -159.8 | 0 | 108.8 | D135 Y220 | K132-D135 WeakPolarHBondContact CE-OD1 3.24Å; K132-D135 IonicContact NZ-OD1 3.83Å; K132-D135 PolarHBondContact NZ-OD1 2.91Å; K132-D135 IonicContact NZ-OD2 3.25Å; K132-Y220 HydrophobicContact CB-CE1 4.49Å; K132-Y220 HydrophobicContact CB-CE2 4.03Å; K132-Y220 HydrophobicContact CG-CE1 4.03Å; K132-Y220 HydrophobicContact CG-CE2 4.39Å |
| 133 | P | 96.6 | Very high | 96.2 | Very high | 17 Ų | 17 | 81.6 Ų | 81.6 | 11% | 0.11 | 38% | 0.384 | C | S | . | . | P | Polyproline II helix | trans | -67.3 | 166.9 | 173 | 26.8 | -31.9 | 0 | 0 | 0 | 110.8 | R131 E216 V217 Y220 | R131-P133 WeakPolarHBondContact O-CD 3.47Å; P133-E216 HydrophobicContact CB-CB 4.46Å; P133-E216 HydrophobicContact CB-CG 3.96Å; P133-E216 HydrophobicContact CG-CG 4.42Å; P133-V217 HydrophobicContact CB-CG2 4.06Å; P133-V217 HydrophobicContact CG-CB 4.3Å; P133-V217 HydrophobicContact CG-CG2 3.77Å; P133-Y220 VanDerWaalsContact CD-CD2 3.44Å; P133-Y220 VanDerWaalsContact CD-CG 3.41Å; P133-Y220 HydrophobicContact CG-CG 4.11Å |
| 134 | R | 94.5 | Very high | 96.3 | Very high | 231 Ų | 231 | 81.9 Ų | 81.9 | 87% | 0.872 | 38% | 0.381 | S | S | * | . | P | Polyproline II helix | trans | -62.4 | 145.1 | 170.4 | -66.7 | -177.5 | -179.1 | 177.5 | -0.2 | 109.2 | ||
| 135 | D | 93.8 | Very high | 96.3 | Very high | 122 Ų | 122 | 83.5 Ų | 83.5 | 65% | 0.652 | 38% | 0.384 | S | S | * | . | P | Polyproline II helix | trans | -64.5 | 146.1 | 172.3 | -58.4 | -43.6 | 0 | 0 | 0 | 109.1 | K132 | K132-D135 WeakPolarHBondContact CE-OD1 3.24Å; K132-D135 IonicContact NZ-OD1 3.83Å; K132-D135 PolarHBondContact NZ-OD1 2.91Å; K132-D135 IonicContact NZ-OD2 3.25Å |
| 136 | L | 96.1 | Very high | 96.2 | Very high | 40 Ų | 40 | 91 Ų | 91 | 21% | 0.209 | 42% | 0.416 | C | S | . | . | trans | -88.9 | 110.6 | -177.6 | -64.5 | 167.4 | 0 | 0 | 0 | 109.8 | G138 F139 I214 V217 | L136-G138 PolarHBondContact O-N 2.92Å; L136-F139 HydrophobicContact CB-CB 3.72Å; L136-F139 HydrophobicContact CB-CD2 3.9Å; L136-F139 HydrophobicContact CB-CG 4.14Å; L136-F139 HydrophobicContact CD1-CB 4.27Å; L136-F139 PolarHBondContact O-N 2.94Å; L136-I214 HydrophobicContact CD1-CG1 4.22Å; L136-I214 HydrophobicContact CD2-CG1 4.47Å; L136-V217 HydrophobicContact CD1-CB 3.89Å; L136-V217 HydrophobicContact CD1-CG1 4.35Å; L136-V217 HydrophobicContact CD1-CG2 3.71Å; L136-V217 HydrophobicContact CD2-CG2 4.07Å; L136-V217 HydrophobicContact CG-CB 4.37Å; L136-V217 HydrophobicContact CG-CG2 3.64Å | ||
| 137 | E | 95.2 | Very high | 96.2 | Very high | 185 Ų | 185 | 96 Ų | 96 | 86% | 0.864 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | 126 | 177.6 | -69.3 | -179.8 | -168.5 | 0 | 0 | 111.5 | F139 | E137-F139 WeakPolarHBondContact O-CD2 3.49Å; E137-F139 WeakPolarHBondContact O-CE2 2.61Å; E137-F139 PolarHBondContact O-N 3.47Å |
| 138 | G | 96.6 | Very high | 96.4 | Very high | 52 Ų | 52 | 95.4 Ų | 95.4 | 54% | 0.536 | 44% | 0.435 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.7 | 6.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | L136 D184 S185 | L136-G138 PolarHBondContact O-N 2.92Å; G138-D184 CarbonylContact O-C 3.55Å; G138-S185 PolarHBondContact O-N 3.43Å |
| 139 | F | 98.1 | Very high | 96.5 | Very high | 69 Ų | 69 | 88.4 Ų | 88.4 | 30% | 0.303 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 155 | 173.6 | -57.3 | -99.1 | 0 | 0 | 0 | 111.3 | L136 E137 F183 D184 R190 I214 | L136-F139 HydrophobicContact CB-CB 3.72Å; L136-F139 HydrophobicContact CB-CD2 3.9Å; L136-F139 HydrophobicContact CB-CG 4.14Å; L136-F139 HydrophobicContact CD1-CB 4.27Å; L136-F139 PolarHBondContact O-N 2.94Å; E137-F139 WeakPolarHBondContact O-CD2 3.49Å; E137-F139 WeakPolarHBondContact O-CE2 2.61Å; E137-F139 PolarHBondContact O-N 3.47Å; F139-F183 CarbonylContact C-O 3.56Å; F139-F183 WeakPolarHBondContact CA-O 3.17Å; F139-F183 WeakPolarHBondContact CB-O 3.41Å; F139-D184 HydrophobicContact CD1-CB 4.08Å; F139-D184 HydrophobicContact CE1-CB 4Å; F139-R190 HydrophobicContact CD1-CB 4.43Å; F139-R190 HydrophobicContact CD1-CG 4.3Å; F139-R190 HydrophobicContact CE1-CB 4.15Å; F139-R190 HydrophobicContact CE1-CG 3.88Å; F139-I214 HydrophobicContact CD1-CD1 4.17Å; F139-I214 HydrophobicContact CE1-CD1 3.75Å; F139-I214 HydrophobicContact CE1-CG1 4.45Å; F139-I214 HydrophobicContact CZ-CD1 4.29Å |
| 140 | W | 97.4 | Very high | 96.6 | Very high | 101 Ų | 101 | 93.5 Ų | 93.5 | 38% | 0.383 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 155.6 | 167.3 | 70.6 | 100.6 | 0 | 0 | 0 | 111.3 | C182 F183 D184 R187 | W140-C182 WeakPolarHBondContact O-CA 3.42Å; W140-F183 HydrophobicContact CD2-CB 4.02Å; W140-F183 HydrophobicContact CE3-CB 4.32Å; W140-F183 HydrophobicContact CH2-CB 4.02Å; W140-F183 HydrophobicContact CZ2-CB 3.69Å; W140-F183 HydrophobicContact CZ2-CG 4.38Å; W140-F183 HydrophobicContact CZ3-CB 4.33Å; W140-F183 PolarHBondContact N-O 3.31Å; W140-F183 PolarHBondContact O-N 2.71Å; W140-D184 WeakPolarHBondContact CH2-O 3.35Å; W140-D184 WeakPolarHBondContact CZ3-O 3.19Å; W140-R187 VanDerWaalsContact CE2-NH1 3.3Å; W140-R187 HydrophobicContact CH2-CB 4.44Å; W140-R187 VanDerWaalsContact CZ2-CD 3.41Å |
| 141 | I | 98.3 | Very high | 96.7 | Very high | 36 Ų | 36 | 95.1 Ų | 95.1 | 19% | 0.185 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 138.3 | 178.9 | -69.2 | 167.2 | 0 | 0 | 0 | 109.1 | L180 L181 C182 V217 L218 | I141-L180 HydrophobicContact CG2-CB 3.92Å; I141-L180 HydrophobicContact CG2-CD1 4.02Å; I141-L180 HydrophobicContact CG2-CD2 4.37Å; I141-L180 HydrophobicContact CG2-CG 4.32Å; I141-L181 VanDerWaalsContact CA-O 3.24Å; I141-L181 WeakPolarHBondContact CA-O 3.4Å; I141-C182 HydrophobicContact CG1-CB 4.1Å; I141-V217 HydrophobicContact CD1-CB 3.95Å; I141-V217 HydrophobicContact CD1-CG1 3.27Å; I141-L218 HydrophobicContact CD1-CD2 4.1Å; I141-L218 HydrophobicContact CD1-CG 4.39Å; I141-L218 HydrophobicContact CG1-CD2 4.22Å; I141-L218 HydrophobicContact CG2-CD2 4.22Å |
| 142 | Q | 97.8 | Very high | 96.8 | Very high | 38 Ų | 38 | 86.1 Ų | 86.1 | 18% | 0.178 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 154 | 174.6 | 60.6 | 169.5 | 60 | 0 | 0 | 111.5 | L180 L181 F183 R187 | Q142-L180 WeakPolarHBondContact O-CA 3.4Å; Q142-L181 PolarHBondContact N-O 3.02Å; Q142-L181 PolarHBondContact O-N 3.47Å; Q142-F183 HydrophobicContact CG-CD2 3.97Å; Q142-F183 HydrophobicContact CG-CE2 3.71Å; Q142-R187 VanDerWaalsContact OE1-CZ 3.32Å |
| 143 | P | 98.3 | Very high | 96.8 | Very high | 73 Ų | 73 | 80.9 Ų | 80.9 | 47% | 0.474 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.7 | 144.7 | 166.6 | -21.5 | 33.6 | 0 | 0 | 0 | 111.7 | R145 T179 L180 | P143-R145 PolarHBondContact O-N 3.49Å; P143-T179 WeakPolarHBondContact CA-O 3.33Å; P143-L180 HydrophobicContact CB-CD2 4.43Å; P143-L180 HydrophobicContact CG-CD2 4.3Å |
| 144 | L | 98.3 | Very high | 96.9 | Very high | 20 Ų | 20 | 82.7 Ų | 82.7 | 11% | 0.105 | 39% | 0.392 | C | S | . | . | trans | -62.3 | 133.2 | 167.8 | 178.4 | 64.4 | 0 | 0 | 0 | 109.5 | M149 L152 C172 L173 T179 L181 | L144-M149 HydrophobicContact CD1-SD 3.99Å; L144-M149 HydrophobicContact CD2-SD 3.93Å; L144-M149 HydrophobicContact CG-SD 4.45Å; L144-L152 HydrophobicContact CD1-CB 4.31Å; L144-L152 HydrophobicContact CD1-CD1 3.89Å; L144-L152 HydrophobicContact CD2-CD1 3.77Å; L144-L152 HydrophobicContact CG-CD1 4.36Å; L144-C172 HydrophobicContact CD2-CB 3.56Å; L144-L173 HydrophobicContact CD1-CD2 4.47Å; L144-L173 HydrophobicContact CD2-CD2 3.52Å; L144-L173 HydrophobicContact CD2-CG 3.87Å; L144-L173 HydrophobicContact CG-CD2 3.59Å; L144-L173 HydrophobicContact CG-CG 4.41Å; L144-T179 HydrophobicContact CB-CG2 3.86Å; L144-T179 HydrophobicContact CD2-CG2 3.9Å; L144-T179 HydrophobicContact CG-CG2 4.47Å; L144-T179 PolarHBondContact N-O 3.08Å; L144-L181 HydrophobicContact CB-CD1 3.59Å; L144-L181 HydrophobicContact CD1-CD1 3.71Å; L144-L181 HydrophobicContact CG-CD1 4.22Å | ||
| 145 | R | 96.3 | Very high | 97 | Very high | 159 Ų | 159 | 72.2 Ų | 72.2 | 60% | 0.6 | 35% | 0.352 | S | S | * | . | trans | -129.7 | 162.6 | 168.2 | -54.7 | 177 | 178.5 | -111.8 | -1.6 | 109.1 | P143 E147 T148 M149 | P143-R145 PolarHBondContact O-N 3.49Å; R145-E147 WeakPolarHBondContact CB-OE2 3.45Å; R145-E147 PolarHBondContact O-N 2.89Å; R145-E147 VanDerWaalsContact O-N 3.14Å; R145-T148 PolarHBondContact N-OG1 2.91Å; R145-T148 VanDerWaalsContact N-OG1 3.08Å; R145-T148 PolarHBondContact O-N 2.74Å; R145-T148 PolarHBondContact O-OG1 2.88Å; R145-M149 PolarHBondContact O-N 2.73Å | ||
| 146 | K | 95.6 | Very high | 97.2 | Very high | 157 Ų | 157 | 66.4 Ų | 66.4 | 68% | 0.683 | 32% | 0.322 | S | S | * | . | G | 310 helix | trans | -54.3 | -36.3 | -179.9 | -168 | 174.1 | -176.1 | 173.5 | 0 | 111.9 | T148 M149 | K146-T148 VanDerWaalsContact C-N 3.27Å; K146-T148 PolarHBondContact O-N 2.7Å; K146-M149 WeakPolarHBondContact O-CB 2.93Å; K146-M149 PolarHBondContact O-N 3.5Å |
| 147 | E | 95.9 | Very high | 97.1 | Very high | 149 Ų | 149 | 69 Ų | 69 | 70% | 0.696 | 33% | 0.329 | S | S | * | . | G | 310 helix | trans | -68.1 | -26 | -179.6 | -53.2 | 72.5 | -146.4 | 0 | 0 | 112.8 | R145 | R145-E147 WeakPolarHBondContact CB-OE2 3.45Å; R145-E147 PolarHBondContact O-N 2.89Å; R145-E147 VanDerWaalsContact O-N 3.14Å |
| 148 | T | 96.3 | Very high | 97.1 | Very high | 13 Ų | 13 | 63.7 Ų | 63.7 | 8% | 0.08 | 31% | 0.306 | C | S | . | . | G | 310 helix | trans | -100.5 | 4.5 | 179 | 54.6 | 0 | 0 | 0 | 0 | 113.6 | R145 K146 K150 D151 L152 | R145-T148 PolarHBondContact N-OG1 2.91Å; R145-T148 VanDerWaalsContact N-OG1 3.08Å; R145-T148 PolarHBondContact O-N 2.74Å; R145-T148 PolarHBondContact O-OG1 2.88Å; K146-T148 VanDerWaalsContact C-N 3.27Å; K146-T148 PolarHBondContact O-N 2.7Å; T148-K150 PolarHBondContact O-N 3.11Å; T148-D151 WeakPolarHBondContact O-CB 3.38Å; T148-D151 PolarHBondContact O-N 3.09Å; T148-D151 VanDerWaalsContact O-N 3.12Å; T148-L152 PolarHBondContact O-N 3.06Å |
| 149 | M | 97.3 | Very high | 97 | Very high | 12 Ų | 12 | 61.2 Ų | 61.2 | 6% | 0.059 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61 | -36.2 | -178.4 | -168.6 | 64.7 | -143.3 | 0 | 0 | 112 | L144 R145 K146 D151 L152 V153 I168 E169 L173 | L144-M149 HydrophobicContact CD1-SD 3.99Å; L144-M149 HydrophobicContact CD2-SD 3.93Å; L144-M149 HydrophobicContact CG-SD 4.45Å; R145-M149 PolarHBondContact O-N 2.73Å; K146-M149 WeakPolarHBondContact O-CB 2.93Å; K146-M149 PolarHBondContact O-N 3.5Å; M149-D151 VanDerWaalsContact C-N 3.28Å; M149-D151 PolarHBondContact O-N 3.15Å; M149-L152 HydrophobicContact CE-CB 4.36Å; M149-L152 HydrophobicContact CE-CD2 3.96Å; M149-L152 PolarHBondContact O-N 3.15Å; M149-V153 HydrophobicContact CE-CG2 3.68Å; M149-V153 HydrophobicContact CG-CG2 4.38Å; M149-V153 WeakPolarHBondContact O-CG2 3.31Å; M149-V153 PolarHBondContact O-N 2.83Å; M149-I168 HydrophobicContact CE-CG2 3.57Å; M149-E169 HydrophobicContact CE-CB 4.01Å; M149-E169 HydrophobicContact CE-CG 4.44Å; M149-E169 HydrophobicContact CG-CG 4.21Å; M149-E169 HydrophobicContact SD-CB 4.49Å; M149-E169 HydrophobicContact SD-CG 4.29Å; M149-L173 HydrophobicContact CG-CD1 4.19Å; M149-L173 HydrophobicContact SD-CD1 3.78Å; M149-L173 HydrophobicContact SD-CD2 4.45Å; M149-L173 HydrophobicContact SD-CG 3.79Å |
| 150 | K | 97.7 | Very high | 96.6 | Very high | 155 Ų | 155 | 58 Ų | 58 | 67% | 0.674 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -61 | -36.1 | 177.1 | -172.9 | 178.4 | 179.4 | -178.5 | 0 | 112.5 | T148 N154 | T148-K150 PolarHBondContact O-N 3.11Å; K150-N154 WeakPolarHBondContact O-CB 3.32Å; K150-N154 PolarHBondContact O-N 2.9Å; K150-N154 PolarHBondContact O-ND2 2.96Å; K150-N154 VanDerWaalsContact O-ND2 3.13Å |
| 151 | D | 98.2 | Very high | 96.3 | Very high | 50 Ų | 50 | 54.5 Ų | 54.5 | 27% | 0.267 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -67.1 | -42.2 | 177.8 | -58.4 | -49.5 | 0 | 0 | 0 | 111 | T148 M149 Y155 F183 C189 | T148-D151 WeakPolarHBondContact O-CB 3.38Å; T148-D151 PolarHBondContact O-N 3.09Å; T148-D151 VanDerWaalsContact O-N 3.12Å; M149-D151 VanDerWaalsContact C-N 3.28Å; M149-D151 PolarHBondContact O-N 3.15Å; D151-Y155 WeakPolarHBondContact O-CB 3.2Å; D151-Y155 PolarHBondContact O-N 3.2Å; D151-F183 HydrophobicContact CB-CE1 3.86Å; D151-F183 HydrophobicContact CB-CZ 3.95Å; D151-C189 HydrophobicContact CB-CB 4.34Å |
| 152 | L | 97.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -62.6 | -52.7 | 175.1 | -164.4 | 157.8 | 0 | 0 | 0 | 110.8 | L144 T148 M149 N154 Y155 D156 I168 C172 T179 L181 Y192 | L144-L152 HydrophobicContact CD1-CB 4.31Å; L144-L152 HydrophobicContact CD1-CD1 3.89Å; L144-L152 HydrophobicContact CD2-CD1 3.77Å; L144-L152 HydrophobicContact CG-CD1 4.36Å; T148-L152 PolarHBondContact O-N 3.06Å; M149-L152 HydrophobicContact CE-CB 4.36Å; M149-L152 HydrophobicContact CE-CD2 3.96Å; M149-L152 PolarHBondContact O-N 3.15Å; L152-N154 VanDerWaalsContact C-N 3.28Å; L152-N154 PolarHBondContact O-N 3.45Å; L152-Y155 PolarHBondContact O-N 2.76Å; L152-Y155 VanDerWaalsContact O-N 3.15Å; L152-D156 HydrophobicContact CD2-CB 4.33Å; L152-D156 VanDerWaalsContact O-CB 3.27Å; L152-D156 WeakPolarHBondContact O-CB 3.27Å; L152-D156 PolarHBondContact O-N 2.78Å; L152-I168 HydrophobicContact CD2-CG2 3.16Å; L152-C172 HydrophobicContact CD1-CB 4.15Å; L152-T179 HydrophobicContact CD1-CG2 3.77Å; L152-L181 HydrophobicContact CB-CD2 3.91Å; L152-L181 HydrophobicContact CD1-CD2 4.45Å; L152-L181 HydrophobicContact CG-CD2 4.43Å; L152-Y192 HydrophobicContact CD1-CD2 3.72Å; L152-Y192 HydrophobicContact CD1-CE2 4.04Å; L152-Y192 HydrophobicContact CD1-CG 4.11Å; L152-Y192 HydrophobicContact CD2-CD2 4.28Å; L152-Y192 HydrophobicContact CD2-CE1 4.21Å; L152-Y192 HydrophobicContact CD2-CE2 3.87Å; L152-Y192 HydrophobicContact CG-CD1 4.2Å; L152-Y192 HydrophobicContact CG-CD2 3.96Å; L152-Y192 HydrophobicContact CG-CE1 4.32Å; L152-Y192 HydrophobicContact CG-CE2 4.07Å; L152-Y192 HydrophobicContact CG-CG 4.01Å |
| 153 | V | 97.1 | Very high | 95.4 | Very high | 20 Ų | 20 | 55.4 Ų | 55.4 | 12% | 0.121 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -58.1 | -40.7 | -179.3 | 168.5 | 0 | 0 | 0 | 0 | 111.9 | M149 R157 I168 | M149-V153 HydrophobicContact CE-CG2 3.68Å; M149-V153 HydrophobicContact CG-CG2 4.38Å; M149-V153 WeakPolarHBondContact O-CG2 3.31Å; M149-V153 PolarHBondContact O-N 2.83Å; V153-R157 VanDerWaalsContact O-CB 3.31Å; V153-R157 WeakPolarHBondContact O-CB 3.13Å; V153-R157 PolarHBondContact O-N 3.12Å; V153-I168 HydrophobicContact CG2-CG2 4.45Å |
| 154 | N | 97.8 | Very high | 95 | Very high | 54 Ų | 54 | 52.6 Ų | 52.6 | 29% | 0.289 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -66.1 | -45 | 177.4 | -73.7 | -27.4 | 0 | 0 | 0 | 111.8 | K150 L152 R157 D158 | K150-N154 WeakPolarHBondContact O-CB 3.32Å; K150-N154 PolarHBondContact O-N 2.9Å; K150-N154 PolarHBondContact O-ND2 2.96Å; K150-N154 VanDerWaalsContact O-ND2 3.13Å; L152-N154 VanDerWaalsContact C-N 3.28Å; L152-N154 PolarHBondContact O-N 3.45Å; N154-R157 PolarHBondContact OD1-NH1 2.88Å; N154-R157 PolarHBondContact OD1-NH2 2.84Å; N154-D158 WeakPolarHBondContact O-CB 3.42Å; N154-D158 PolarHBondContact O-N 3.1Å |
| 155 | Y | 98 | Very high | 94.7 | Very high | 11 Ų | 11 | 53.1 Ų | 53.1 | 4% | 0.043 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -65.5 | -43.4 | 178.2 | -175.9 | -92.8 | 0 | 0 | 0 | 111.9 | D151 L152 D158 V159 C189 R190 Y192 A209 D210 | D151-Y155 WeakPolarHBondContact O-CB 3.2Å; D151-Y155 PolarHBondContact O-N 3.2Å; L152-Y155 PolarHBondContact O-N 2.76Å; L152-Y155 VanDerWaalsContact O-N 3.15Å; Y155-D158 WeakPolarHBondContact O-CB 3.25Å; Y155-D158 PolarHBondContact O-N 2.77Å; Y155-D158 VanDerWaalsContact O-N 3.15Å; Y155-V159 HydrophobicContact CD1-CG2 4.08Å; Y155-V159 HydrophobicContact CE1-CG2 3.64Å; Y155-V159 WeakPolarHBondContact O-CG2 3.5Å; Y155-V159 PolarHBondContact O-N 3.4Å; Y155-C189 HydrophobicContact CD2-CB 4.25Å; Y155-C189 VanDerWaalsContact CD2-O 3.23Å; Y155-C189 WeakPolarHBondContact CD2-O 3.35Å; Y155-C189 HydrophobicContact CG-CB 4.29Å; Y155-R190 VanDerWaalsContact CE2-C 3.49Å; Y155-R190 PolarHBondContact OH-O 2.84Å; Y155-R190 VanDerWaalsContact OH-O 3.13Å; Y155-Y192 AromaticContact CD1-CD1 3.71Å; Y155-Y192 HydrophobicContact CD1-CD1 3.71Å; Y155-Y192 AromaticContact CD1-CE1 3.96Å; Y155-Y192 HydrophobicContact CD1-CE1 3.96Å; Y155-Y192 HydrophobicContact CE1-CD1 4.16Å; Y155-Y192 HydrophobicContact CE1-CE1 4.47Å; Y155-A209 WeakPolarHBondContact OH-CA 3.45Å; Y155-D210 VanDerWaalsContact CE2-OD1 3.22Å; Y155-D210 WeakPolarHBondContact CE2-OD1 3.47Å; Y155-D210 PolarHBondContact OH-N 2.85Å; Y155-D210 PolarHBondContact OH-OD1 3.02Å |
| 156 | D | 96.2 | Very high | 94.5 | Very high | 1 Ų | 1 | 49.4 Ų | 49.4 | 1% | 0.005 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -58.9 | -52.5 | 176.9 | 175.6 | 66.7 | 0 | 0 | 0 | 111.7 | L152 D158 V159 E160 R164 Y192 | L152-D156 HydrophobicContact CD2-CB 4.33Å; L152-D156 VanDerWaalsContact O-CB 3.27Å; L152-D156 WeakPolarHBondContact O-CB 3.27Å; L152-D156 PolarHBondContact O-N 2.78Å; D156-D158 PolarHBondContact O-N 3.4Å; D156-V159 WeakPolarHBondContact O-CA 3.34Å; D156-V159 PolarHBondContact O-N 3.45Å; D156-E160 WeakPolarHBondContact O-CB 3.45Å; D156-E160 PolarHBondContact O-N 3.35Å; D156-R164 VanDerWaalsContact CG-NE 3.32Å; D156-R164 IonicContact OD1-CZ 2.66Å; D156-R164 VanDerWaalsContact OD1-CZ 3.25Å; D156-R164 IonicContact OD1-NE 2.86Å; D156-R164 PolarHBondContact OD1-NE 3.43Å; D156-R164 VanDerWaalsContact OD1-NE 3.16Å; D156-R164 IonicContact OD1-NH2 2.68Å; D156-R164 PolarHBondContact OD1-NH2 2.93Å; D156-R164 VanDerWaalsContact OD2-CG 3.29Å; D156-R164 WeakPolarHBondContact OD2-CG 3.43Å; D156-R164 IonicContact OD2-CZ 2.81Å; D156-R164 IonicContact OD2-NE 3.62Å; D156-R164 PolarHBondContact OD2-NE 3.13Å; D156-R164 IonicContact OD2-NH2 3.62Å; D156-Y192 HydrophobicContact CB-CE1 4.2Å; D156-Y192 PolarHBondContact OD1-OH 2.85Å |
| 157 | R | 94.3 | Very high | 94.3 | Very high | 95 Ų | 95 | 42.1 Ų | 42.1 | 36% | 0.358 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -56.8 | -34.2 | 174.6 | -179.7 | 178.7 | 67.2 | -120.8 | -8.6 | 112.1 | V153 N154 V159 G161 F162 | V153-R157 VanDerWaalsContact O-CB 3.31Å; V153-R157 WeakPolarHBondContact O-CB 3.13Å; V153-R157 PolarHBondContact O-N 3.12Å; N154-R157 PolarHBondContact OD1-NH1 2.88Å; N154-R157 PolarHBondContact OD1-NH2 2.84Å; R157-V159 VanDerWaalsContact C-N 3.33Å; R157-G161 VanDerWaalsContact O-CA 3.24Å; R157-G161 WeakPolarHBondContact O-CA 3.47Å; R157-G161 PolarHBondContact O-N 2.78Å; R157-F162 WeakPolarHBondContact CG-O 3.26Å |
| 158 | D | 95.3 | Very high | 94.1 | Very high | 73 Ų | 73 | 35 Ų | 35 | 39% | 0.39 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -69.6 | -29.4 | 175.9 | -83.1 | -0.7 | 0 | 0 | 0 | 112.8 | N154 Y155 D156 K274 | N154-D158 WeakPolarHBondContact O-CB 3.42Å; N154-D158 PolarHBondContact O-N 3.1Å; Y155-D158 WeakPolarHBondContact O-CB 3.25Å; Y155-D158 PolarHBondContact O-N 2.77Å; Y155-D158 VanDerWaalsContact O-N 3.15Å; D156-D158 PolarHBondContact O-N 3.4Å; D158-K274 WeakPolarHBondContact O-CD 3.45Å; D158-K274 WeakPolarHBondContact O-CE 3.26Å; D158-K274 PolarHBondContact O-NZ 2.68Å |
| 159 | V | 95.2 | Very high | 94 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -81.2 | -44.1 | 176.1 | 176.5 | 0 | 0 | 0 | 0 | 110.6 | Y155 D156 R157 Y208 K274 K277 V278 W285 | Y155-V159 HydrophobicContact CD1-CG2 4.08Å; Y155-V159 HydrophobicContact CE1-CG2 3.64Å; Y155-V159 WeakPolarHBondContact O-CG2 3.5Å; Y155-V159 PolarHBondContact O-N 3.4Å; D156-V159 WeakPolarHBondContact O-CA 3.34Å; D156-V159 PolarHBondContact O-N 3.45Å; R157-V159 VanDerWaalsContact C-N 3.33Å; V159-Y208 HydrophobicContact CB-CD2 4.25Å; V159-Y208 HydrophobicContact CG1-CD1 4.36Å; V159-Y208 HydrophobicContact CG1-CD2 4Å; V159-Y208 HydrophobicContact CG1-CE2 4.5Å; V159-Y208 HydrophobicContact CG1-CG 4.01Å; V159-Y208 HydrophobicContact CG2-CD2 4.39Å; V159-Y208 HydrophobicContact CG2-CG 4.48Å; V159-K274 PolarHBondContact O-N 3.06Å; V159-K277 HydrophobicContact CG1-CB 4.25Å; V159-K277 HydrophobicContact CG2-CB 4.19Å; V159-K277 HydrophobicContact CG2-CD 4Å; V159-V278 HydrophobicContact CG1-CG2 3.93Å; V159-W285 HydrophobicContact CG1-CH2 4.25Å |
| 160 | E | 89.8 | Confident | 93.8 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -83.4 | -26.2 | -175 | -76.3 | -83.8 | -139.1 | 0 | 0 | 114 | D156 F162 R164 L273 W285 P286 | D156-E160 WeakPolarHBondContact O-CB 3.45Å; D156-E160 PolarHBondContact O-N 3.35Å; E160-F162 HydrophobicContact CB-CD1 4.13Å; E160-F162 HydrophobicContact CB-CE1 4.05Å; E160-F162 VanDerWaalsContact O-CD1 3.26Å; E160-F162 WeakPolarHBondContact O-CD1 3.33Å; E160-F162 PolarHBondContact O-N 2.84Å; E160-R164 IonicContact OE1-CZ 3.69Å; E160-R164 IonicContact OE1-NE 2.85Å; E160-R164 PolarHBondContact OE1-NE 3.11Å; E160-R164 IonicContact OE1-NH1 3.66Å; E160-R164 IonicContact OE1-NH2 2.64Å; E160-R164 PolarHBondContact OE1-NH2 2.92Å; E160-R164 VanDerWaalsContact OE1-NH2 3.14Å; E160-L273 WeakPolarHBondContact O-CD2 3.42Å; E160-L273 VanDerWaalsContact OE2-CD2 3.22Å; E160-L273 WeakPolarHBondContact OE2-CD2 3.35Å; E160-W285 HydrophobicContact CG-CH2 3.53Å; E160-W285 HydrophobicContact CG-CZ2 4.29Å; E160-W285 HydrophobicContact CG-CZ3 3.63Å; E160-W285 WeakPolarHBondContact OE1-CH2 3.36Å; E160-W285 WeakPolarHBondContact OE1-CZ3 3.43Å; E160-W285 WeakPolarHBondContact OE2-CH2 3.45Å; E160-W285 WeakPolarHBondContact OE2-CZ2 3.11Å; E160-W285 WeakPolarHBondContact OE2-CZ3 3.14Å; E160-P286 VanDerWaalsContact CD-CB 3.43Å; E160-P286 VanDerWaalsContact OE1-CA 3.29Å; E160-P286 WeakPolarHBondContact OE1-CA 3.19Å; E160-P286 WeakPolarHBondContact OE1-CB 3.39Å; E160-P286 WeakPolarHBondContact OE2-CB 2.84Å |
| 161 | G | 89.8 | Confident | 93.6 | Very high | 28 Ų | 28 | 34.5 Ų | 34.5 | 29% | 0.289 | 18% | 0.178 | S | C | . | . | S | Bend | trans | 72.9 | 10.7 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | R157 | R157-G161 VanDerWaalsContact O-CA 3.24Å; R157-G161 WeakPolarHBondContact O-CA 3.47Å; R157-G161 PolarHBondContact O-N 2.78Å |
| 162 | F | 88.3 | Confident | 93.4 | Very high | 13 Ų | 13 | 32.2 Ų | 32.2 | 6% | 0.057 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -150.2 | 169.4 | 173.5 | 68 | -90.1 | 0 | 0 | 0 | 112.9 | L62 R157 E160 R164 M269 P286 | L62-F162 HydrophobicContact CD1-CD2 4.43Å; L62-F162 HydrophobicContact CD1-CE1 4.38Å; L62-F162 HydrophobicContact CD1-CE2 3.98Å; L62-F162 HydrophobicContact CD1-CZ 3.91Å; L62-F162 HydrophobicContact CD2-CD2 4.32Å; L62-F162 HydrophobicContact CD2-CE2 3.65Å; L62-F162 HydrophobicContact CD2-CZ 4.19Å; L62-F162 HydrophobicContact CG-CE2 4.37Å; R157-F162 WeakPolarHBondContact CG-O 3.26Å; E160-F162 HydrophobicContact CB-CD1 4.13Å; E160-F162 HydrophobicContact CB-CE1 4.05Å; E160-F162 VanDerWaalsContact O-CD1 3.26Å; E160-F162 WeakPolarHBondContact O-CD1 3.33Å; E160-F162 PolarHBondContact O-N 2.84Å; F162-R164 HydrophobicContact CD2-CB 4.34Å; F162-R164 HydrophobicContact CE2-CB 3.92Å; F162-R164 HydrophobicContact CE2-CG 4.28Å; F162-M269 HydrophobicContact CD1-CG 4.22Å; F162-M269 HydrophobicContact CD1-SD 4.01Å; F162-M269 HydrophobicContact CE1-SD 4.05Å; F162-P286 HydrophobicContact CE1-CB 3.51Å; F162-P286 HydrophobicContact CE1-CG 3.61Å; F162-P286 HydrophobicContact CZ-CB 3.39Å; F162-P286 HydrophobicContact CZ-CG 3.51Å; F162-P286 WeakPolarHBondContact CZ-O 3.48Å |
| 163 | E | 88.9 | Confident | 93.2 | Very high | 81 Ų | 81 | 35.3 Ų | 35.3 | 38% | 0.379 | 18% | 0.183 | S | C | . | . | trans | -87.7 | 124.6 | -175.4 | -160.2 | -66.4 | 121 | 0 | 0 | 110.9 | S165 | E163-S165 WeakPolarHBondContact OE1-CA 3.4Å; E163-S165 WeakPolarHBondContact OE1-CB 3.27Å; E163-S165 PolarHBondContact OE1-N 3.31Å; E163-S165 PolarHBondContact OE1-OG 2.91Å | ||
| 164 | R | 91.1 | Very high | 93 | Very high | 13 Ų | 13 | 35.2 Ų | 35.2 | 5% | 0.049 | 19% | 0.186 | C | C | . | . | trans | -148.3 | 27.8 | 178.5 | 63 | -178.8 | -159.9 | 139 | -24.8 | 112.9 | D156 E160 F162 T166 F167 I168 Y208 H282 P286 V287 | D156-R164 VanDerWaalsContact CG-NE 3.32Å; D156-R164 IonicContact OD1-CZ 2.66Å; D156-R164 VanDerWaalsContact OD1-CZ 3.25Å; D156-R164 IonicContact OD1-NE 2.86Å; D156-R164 PolarHBondContact OD1-NE 3.43Å; D156-R164 VanDerWaalsContact OD1-NE 3.16Å; D156-R164 IonicContact OD1-NH2 2.68Å; D156-R164 PolarHBondContact OD1-NH2 2.93Å; D156-R164 VanDerWaalsContact OD2-CG 3.29Å; D156-R164 WeakPolarHBondContact OD2-CG 3.43Å; D156-R164 IonicContact OD2-CZ 2.81Å; D156-R164 IonicContact OD2-NE 3.62Å; D156-R164 PolarHBondContact OD2-NE 3.13Å; D156-R164 IonicContact OD2-NH2 3.62Å; E160-R164 IonicContact OE1-CZ 3.69Å; E160-R164 IonicContact OE1-NE 2.85Å; E160-R164 PolarHBondContact OE1-NE 3.11Å; E160-R164 IonicContact OE1-NH1 3.66Å; E160-R164 IonicContact OE1-NH2 2.64Å; E160-R164 PolarHBondContact OE1-NH2 2.92Å; E160-R164 VanDerWaalsContact OE1-NH2 3.14Å; F162-R164 HydrophobicContact CD2-CB 4.34Å; F162-R164 HydrophobicContact CE2-CB 3.92Å; F162-R164 HydrophobicContact CE2-CG 4.28Å; R164-T166 VanDerWaalsContact C-N 3.32Å; R164-T166 PolarHBondContact O-N 3.21Å; R164-F167 PolarHBondContact O-N 3.35Å; R164-F167 VanDerWaalsContact O-N 3.13Å; R164-I168 HydrophobicContact CG-CG1 3.92Å; R164-I168 VanDerWaalsContact CZ-CD1 3.46Å; R164-I168 PolarHBondContact O-N 3.23Å; R164-Y208 PolarHBondContact NH2-OH 3.09Å; R164-H282 PolarHBondContact NH1-CE1 3.04Å; R164-H282 PolarHBondContact NH1-NE2 2.99Å; R164-P286 WeakPolarHBondContact CD-O 3.49Å; R164-P286 PolarHBondContact NH1-O 3.37Å; R164-V287 VanDerWaalsContact CD-OXT 3.27Å; R164-V287 WeakPolarHBondContact CD-OXT 3.46Å; R164-V287 PolarHBondContact NH1-O 3.35Å; R164-V287 PolarHBondContact NH1-OXT 3.01Å | ||
| 165 | S | 92.6 | Very high | 92.7 | Very high | 32 Ų | 32 | 41.8 Ų | 41.8 | 22% | 0.224 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -59 | -38 | -171.8 | 61.6 | 0 | 0 | 0 | 0 | 113.4 | E163 F167 I168 E169 | E163-S165 WeakPolarHBondContact OE1-CA 3.4Å; E163-S165 WeakPolarHBondContact OE1-CB 3.27Å; E163-S165 PolarHBondContact OE1-N 3.31Å; E163-S165 PolarHBondContact OE1-OG 2.91Å; S165-F167 VanDerWaalsContact C-N 3.3Å; S165-F167 PolarHBondContact O-N 3.12Å; S165-I168 PolarHBondContact O-N 3.34Å; S165-E169 WeakPolarHBondContact O-CB 3.38Å; S165-E169 PolarHBondContact O-N 2.94Å |
| 166 | T | 91.4 | Very high | 92.4 | Very high | 81 Ų | 81 | 45.5 Ų | 45.5 | 50% | 0.497 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -57.3 | -44 | 177 | -56.3 | 0 | 0 | 0 | 0 | 111.8 | R164 K170 | R164-T166 VanDerWaalsContact C-N 3.32Å; R164-T166 PolarHBondContact O-N 3.21Å; T166-K170 WeakPolarHBondContact O-CG 3.43Å; T166-K170 PolarHBondContact O-N 3.37Å |
| 167 | F | 90.6 | Very high | 92.3 | Very high | 3 Ų | 3 | 46.4 Ų | 46.4 | 1% | 0.013 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -67.8 | -53.2 | 175.8 | 171.1 | -92.2 | 0 | 0 | 0 | 110.5 | I34 H35 C38 R164 S165 E169 K170 W171 V287 | I34-F167 HydrophobicContact CG2-CD2 3.67Å; I34-F167 HydrophobicContact CG2-CE2 3.65Å; H35-F167 AromaticContact CE1-CE2 3.15Å; H35-F167 WeakPolarHBondContact CE1-CE2 3.26Å; H35-F167 AromaticContact CE1-CZ 3.56Å; H35-F167 AromaticContact ND1-CE2 3.35Å; H35-F167 WeakPolarHBondContact ND1-CE2 3.4Å; C38-F167 HydrophobicContact CB-CB 4.08Å; C38-F167 HydrophobicContact CB-CD2 4.4Å; R164-F167 PolarHBondContact O-N 3.35Å; R164-F167 VanDerWaalsContact O-N 3.13Å; S165-F167 VanDerWaalsContact C-N 3.3Å; S165-F167 PolarHBondContact O-N 3.12Å; F167-E169 PolarHBondContact O-N 3.48Å; F167-K170 PolarHBondContact O-N 3.3Å; F167-K170 VanDerWaalsContact O-N 3.1Å; F167-W171 HydrophobicContact CD1-CB 4.17Å; F167-W171 HydrophobicContact CE1-CB 3.7Å; F167-W171 HydrophobicContact CE1-CD2 4.08Å; F167-W171 HydrophobicContact CE1-CE3 4.27Å; F167-W171 AromaticContact CE1-CG 3.84Å; F167-W171 HydrophobicContact CE1-CG 3.84Å; F167-W171 HydrophobicContact CE2-CB 4.28Å; F167-W171 HydrophobicContact CE2-CD2 4.38Å; F167-W171 AromaticContact CE2-CE3 3.78Å; F167-W171 HydrophobicContact CE2-CE3 3.78Å; F167-W171 HydrophobicContact CE2-CZ3 4.49Å; F167-W171 HydrophobicContact CZ-CB 3.79Å; F167-W171 AromaticContact CZ-CD2 3.58Å; F167-W171 HydrophobicContact CZ-CD2 3.58Å; F167-W171 AromaticContact CZ-CE3 3.33Å; F167-W171 HydrophobicContact CZ-CE3 3.33Å; F167-W171 AromaticContact CZ-CG 3.79Å; F167-W171 HydrophobicContact CZ-CG 3.79Å; F167-W171 HydrophobicContact CZ-CZ3 4.07Å; F167-W171 VanDerWaalsContact O-CB 3.31Å; F167-W171 WeakPolarHBondContact O-CB 3.49Å; F167-W171 PolarHBondContact O-N 3.28Å; F167-V287 HydrophobicContact CB-CG1 3.92Å; F167-V287 HydrophobicContact CD1-CG1 4.39Å; F167-V287 WeakPolarHBondContact CD1-O 3.19Å; F167-V287 WeakPolarHBondContact CD1-OXT 3.46Å; F167-V287 HydrophobicContact CD2-CG1 3.76Å; F167-V287 WeakPolarHBondContact CE1-O 3.47Å; F167-V287 VanDerWaalsContact CE1-OXT 3.28Å; F167-V287 WeakPolarHBondContact CE1-OXT 3.43Å; F167-V287 HydrophobicContact CE2-CG1 4.4Å; F167-V287 HydrophobicContact CG-CG1 3.72Å; F167-V287 WeakPolarHBondContact CG-OXT 3.41Å; F167-V287 WeakPolarHBondContact CZ-O 3.41Å |
| 168 | I | 92.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61.3 | -35 | -173.7 | -82.1 | -58.4 | 0 | 0 | 0 | 111.9 | M149 L152 V153 R164 S165 C172 | M149-I168 HydrophobicContact CE-CG2 3.57Å; L152-I168 HydrophobicContact CD2-CG2 3.16Å; V153-I168 HydrophobicContact CG2-CG2 4.45Å; R164-I168 HydrophobicContact CG-CG1 3.92Å; R164-I168 VanDerWaalsContact CZ-CD1 3.46Å; R164-I168 PolarHBondContact O-N 3.23Å; S165-I168 PolarHBondContact O-N 3.34Å; I168-C172 WeakPolarHBondContact O-CB 3.15Å; I168-C172 PolarHBondContact O-N 3.14Å; I168-C172 PolarHBondContact O-SG 2.79Å |
| 169 | E | 94.1 | Very high | 92.6 | Very high | 88 Ų | 88 | 41.7 Ų | 41.7 | 41% | 0.411 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -63 | -53.5 | 172.7 | -170.2 | 175.1 | 159.2 | 0 | 0 | 111.3 | M149 S165 F167 W171 C172 L173 | M149-E169 HydrophobicContact CE-CB 4.01Å; M149-E169 HydrophobicContact CE-CG 4.44Å; M149-E169 HydrophobicContact CG-CG 4.21Å; M149-E169 HydrophobicContact SD-CB 4.49Å; M149-E169 HydrophobicContact SD-CG 4.29Å; S165-E169 WeakPolarHBondContact O-CB 3.38Å; S165-E169 PolarHBondContact O-N 2.94Å; F167-E169 PolarHBondContact O-N 3.48Å; E169-W171 VanDerWaalsContact C-N 3.3Å; E169-W171 PolarHBondContact O-N 3.34Å; E169-C172 PolarHBondContact O-N 3.33Å; E169-L173 HydrophobicContact CG-CD1 3.8Å; E169-L173 VanDerWaalsContact O-CB 3.28Å; E169-L173 WeakPolarHBondContact O-CB 3.48Å; E169-L173 PolarHBondContact O-N 3.01Å |
| 170 | K | 92.5 | Very high | 92.8 | Very high | 80 Ų | 80 | 42.1 Ų | 42.1 | 35% | 0.348 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -59.9 | -41.3 | 177.5 | -73.3 | 171 | 177.8 | -76.1 | 0 | 112.2 | I34 T166 F167 G174 | I34-K170 HydrophobicContact CG2-CB 3.89Å; I34-K170 HydrophobicContact CG2-CD 4.42Å; T166-K170 WeakPolarHBondContact O-CG 3.43Å; T166-K170 PolarHBondContact O-N 3.37Å; F167-K170 PolarHBondContact O-N 3.3Å; F167-K170 VanDerWaalsContact O-N 3.1Å; K170-G174 WeakPolarHBondContact O-CA 3.34Å; K170-G174 PolarHBondContact O-N 3.16Å; K170-G174 VanDerWaalsContact O-N 3.17Å |
| 171 | W | 92.8 | Very high | 93.2 | Very high | 1 Ų | 1 | 42.1 Ų | 42.1 | 0% | 0.004 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -68 | -48.3 | -178.3 | -176.2 | -93 | 0 | 0 | 0 | 112.1 | N31 H35 F167 E169 A177 R196 T203 S205 H282 | N31-W171 HydrophobicContact CB-CH2 4.46Å; N31-W171 HydrophobicContact CB-CZ3 3.68Å; N31-W171 VanDerWaalsContact CG-CZ3 3.46Å; N31-W171 WeakPolarHBondContact ND2-CH2 3.47Å; N31-W171 WeakPolarHBondContact ND2-CZ3 3.43Å; H35-W171 AromaticContact NE2-CZ3 3.7Å; F167-W171 HydrophobicContact CD1-CB 4.17Å; F167-W171 HydrophobicContact CE1-CB 3.7Å; F167-W171 HydrophobicContact CE1-CD2 4.08Å; F167-W171 HydrophobicContact CE1-CE3 4.27Å; F167-W171 AromaticContact CE1-CG 3.84Å; F167-W171 HydrophobicContact CE1-CG 3.84Å; F167-W171 HydrophobicContact CE2-CB 4.28Å; F167-W171 HydrophobicContact CE2-CD2 4.38Å; F167-W171 AromaticContact CE2-CE3 3.78Å; F167-W171 HydrophobicContact CE2-CE3 3.78Å; F167-W171 HydrophobicContact CE2-CZ3 4.49Å; F167-W171 HydrophobicContact CZ-CB 3.79Å; F167-W171 AromaticContact CZ-CD2 3.58Å; F167-W171 HydrophobicContact CZ-CD2 3.58Å; F167-W171 AromaticContact CZ-CE3 3.33Å; F167-W171 HydrophobicContact CZ-CE3 3.33Å; F167-W171 AromaticContact CZ-CG 3.79Å; F167-W171 HydrophobicContact CZ-CG 3.79Å; F167-W171 HydrophobicContact CZ-CZ3 4.07Å; F167-W171 VanDerWaalsContact O-CB 3.31Å; F167-W171 WeakPolarHBondContact O-CB 3.49Å; F167-W171 PolarHBondContact O-N 3.28Å; E169-W171 VanDerWaalsContact C-N 3.3Å; E169-W171 PolarHBondContact O-N 3.34Å; W171-A177 WeakPolarHBondContact O-CB 3.45Å; W171-R196 HydrophobicContact CZ2-CB 4.49Å; W171-R196 PolarHBondContact O-NH1 2.79Å; W171-T203 HydrophobicContact CH2-CG2 4.34Å; W171-T203 HydrophobicContact CZ2-CG2 4.01Å; W171-S205 PolarHBondContact NE1-O 2.53Å; W171-H282 HydrophobicContact CH2-CB 4.33Å; W171-H282 HydrophobicContact CZ2-CB 4.04Å |
| 172 | C | 95 | Very high | 93.7 | Very high | 3 Ų | 3 | 40.8 Ų | 40.8 | 2% | 0.02 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -88.9 | -28.1 | -170.4 | -59.3 | 0 | 0 | 0 | 0 | 114 | L144 L152 I168 E169 T179 | L144-C172 HydrophobicContact CD2-CB 3.56Å; L152-C172 HydrophobicContact CD1-CB 4.15Å; I168-C172 WeakPolarHBondContact O-CB 3.15Å; I168-C172 PolarHBondContact O-N 3.14Å; I168-C172 PolarHBondContact O-SG 2.79Å; E169-C172 PolarHBondContact O-N 3.33Å; C172-T179 WeakPolarHBondContact CA-OG1 3.35Å; C172-T179 HydrophobicContact CB-CG2 4.19Å; C172-T179 WeakPolarHBondContact CB-OG1 3.2Å; C172-T179 PolarHBondContact O-OG1 2.88Å |
| 173 | L | 93.4 | Very high | 94.1 | Very high | 64 Ų | 64 | 40.1 Ų | 40.1 | 34% | 0.335 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -96.9 | -9.9 | 176.2 | -70.4 | 179.2 | 0 | 0 | 0 | 114 | L144 M149 E169 | L144-L173 HydrophobicContact CD1-CD2 4.47Å; L144-L173 HydrophobicContact CD2-CD2 3.52Å; L144-L173 HydrophobicContact CD2-CG 3.87Å; L144-L173 HydrophobicContact CG-CD2 3.59Å; L144-L173 HydrophobicContact CG-CG 4.41Å; M149-L173 HydrophobicContact CG-CD1 4.19Å; M149-L173 HydrophobicContact SD-CD1 3.78Å; M149-L173 HydrophobicContact SD-CD2 4.45Å; M149-L173 HydrophobicContact SD-CG 3.79Å; E169-L173 HydrophobicContact CG-CD1 3.8Å; E169-L173 VanDerWaalsContact O-CB 3.28Å; E169-L173 WeakPolarHBondContact O-CB 3.48Å; E169-L173 PolarHBondContact O-N 3.01Å |
| 174 | G | 92.1 | Very high | 94.6 | Very high | 19 Ų | 19 | 37 Ų | 37 | 20% | 0.196 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -57.9 | 154.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | K170 E176 A177 | K170-G174 WeakPolarHBondContact O-CA 3.34Å; K170-G174 PolarHBondContact O-N 3.16Å; K170-G174 VanDerWaalsContact O-N 3.17Å; G174-E176 PolarHBondContact O-N 2.64Å; G174-E176 VanDerWaalsContact O-N 3.08Å; G174-A177 WeakPolarHBondContact O-CB 3.37Å; G174-A177 PolarHBondContact O-N 2.98Å |
| 175 | E | 91.6 | Very high | 94.8 | Very high | 191 Ų | 191 | 41.1 Ų | 41.1 | 89% | 0.893 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -24.7 | -172.6 | -62.5 | -174.8 | 172.9 | 0 | 0 | 113.6 | A177 | E175-A177 VanDerWaalsContact C-N 3.3Š|
| 176 | E | 92.3 | Very high | 95 | Very high | 89 Ų | 89 | 47 Ų | 47 | 42% | 0.416 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85 | -5.4 | -179.9 | -53 | 73.4 | -167.9 | 0 | 0 | 112.5 | G174 R196 S197 | G174-E176 PolarHBondContact O-N 2.64Å; G174-E176 VanDerWaalsContact O-N 3.08Å; E176-R196 HydrophobicContact CB-CG 4.25Å; E176-R196 CarbonylContact O-C 3.5Å; E176-R196 VanDerWaalsContact O-CA 3.32Å; E176-R196 WeakPolarHBondContact O-CA 3.16Å; E176-R196 IonicContact OE2-CZ 3.55Å; E176-R196 IonicContact OE2-NH1 3.14Å; E176-R196 IonicContact OE2-NH2 3.61Å; E176-R196 PolarHBondContact OE2-NH2 2.86Å; E176-S197 PolarHBondContact O-N 2.93Å |
| 177 | A | 95.1 | Very high | 95.2 | Very high | 20 Ų | 20 | 47.4 Ų | 47.4 | 17% | 0.165 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 134.6 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | W171 G174 E175 T194 L195 R196 | W171-A177 WeakPolarHBondContact O-CB 3.45Å; G174-A177 WeakPolarHBondContact O-CB 3.37Å; G174-A177 PolarHBondContact O-N 2.98Å; E175-A177 VanDerWaalsContact C-N 3.3Å; A177-T194 HydrophobicContact CB-CG2 3.92Å; A177-L195 WeakPolarHBondContact CA-O 2.64Å; A177-R196 HydrophobicContact CB-CG 4.41Å |
| 178 | T | 97.7 | Very high | 95.6 | Very high | 62 Ų | 62 | 52.6 Ų | 52.6 | 38% | 0.38 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 106.8 | 161.5 | -63.7 | 0 | 0 | 0 | 0 | 108 | L195 L222 | T178-L195 PolarHBondContact N-O 3.01Å; T178-L195 PolarHBondContact O-N 3.49Å; T178-L222 HydrophobicContact CG2-CD2 4.2Å; T178-L222 VanDerWaalsContact O-CD2 3.26Å; T178-L222 WeakPolarHBondContact O-CD2 3.47Å |
| 179 | T | 98.3 | Very high | 95.8 | Very high | 7 Ų | 7 | 53 Ų | 53 | 4% | 0.043 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 133.2 | 179.5 | -56.7 | 0 | 0 | 0 | 0 | 110.9 | P143 L144 L152 C172 Y192 G193 T194 | P143-T179 WeakPolarHBondContact CA-O 3.33Å; L144-T179 HydrophobicContact CB-CG2 3.86Å; L144-T179 HydrophobicContact CD2-CG2 3.9Å; L144-T179 HydrophobicContact CG-CG2 4.47Å; L144-T179 PolarHBondContact N-O 3.08Å; L152-T179 HydrophobicContact CD1-CG2 3.77Å; C172-T179 WeakPolarHBondContact CA-OG1 3.35Å; C172-T179 HydrophobicContact CB-CG2 4.19Å; C172-T179 WeakPolarHBondContact CB-OG1 3.2Å; C172-T179 PolarHBondContact O-OG1 2.88Å; T179-Y192 HydrophobicContact CG2-CD2 4.12Å; T179-G193 CarbonylContact C-O 3.55Å; T179-G193 WeakPolarHBondContact CA-O 3.13Å; T179-T194 VanDerWaalsContact CG2-OG1 3.29Å; T179-T194 WeakPolarHBondContact CG2-OG1 3.29Å; T179-T194 WeakPolarHBondContact OG1-CG2 3.17Å; T179-T194 PolarHBondContact OG1-OG1 3Å |
| 180 | L | 98.8 | Very high | 96.1 | Very high | 9 Ų | 9 | 51 Ų | 51 | 5% | 0.047 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 138.6 | 174.1 | -63.1 | -176.4 | 0 | 0 | 0 | 109.9 | I141 Q142 P143 Y192 G193 L218 Q221 L222 | I141-L180 HydrophobicContact CG2-CB 3.92Å; I141-L180 HydrophobicContact CG2-CD1 4.02Å; I141-L180 HydrophobicContact CG2-CD2 4.37Å; I141-L180 HydrophobicContact CG2-CG 4.32Å; Q142-L180 WeakPolarHBondContact O-CA 3.4Å; P143-L180 HydrophobicContact CB-CD2 4.43Å; P143-L180 HydrophobicContact CG-CD2 4.3Å; L180-Y192 CarbonylContact O-C 3.36Å; L180-Y192 WeakPolarHBondContact O-CA 3.21Å; L180-Y192 VanDerWaalsContact O-CB 3.27Å; L180-Y192 WeakPolarHBondContact O-CB 3.34Å; L180-G193 PolarHBondContact N-O 3.12Å; L180-G193 PolarHBondContact O-N 3.19Å; L180-L218 HydrophobicContact CB-CD2 3.79Å; L180-Q221 HydrophobicContact CD1-CB 3.56Å; L180-L222 HydrophobicContact CB-CD2 4.35Å; L180-L222 HydrophobicContact CD1-CD2 3.93Å; L180-L222 HydrophobicContact CD1-CG 3.96Å; L180-L222 HydrophobicContact CG-CD2 3.76Å; L180-L222 HydrophobicContact CG-CG 4.23Å |
| 181 | L | 98.7 | Very high | 96.4 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 144.6 | 171.7 | -59.8 | 94.6 | 0 | 0 | 0 | 110.3 | I141 Q142 L144 L152 F183 | I141-L181 VanDerWaalsContact CA-O 3.24Å; I141-L181 WeakPolarHBondContact CA-O 3.4Å; Q142-L181 PolarHBondContact N-O 3.02Å; Q142-L181 PolarHBondContact O-N 3.47Å; L144-L181 HydrophobicContact CB-CD1 3.59Å; L144-L181 HydrophobicContact CD1-CD1 3.71Å; L144-L181 HydrophobicContact CG-CD1 4.22Å; L152-L181 HydrophobicContact CB-CD2 3.91Å; L152-L181 HydrophobicContact CD1-CD2 4.45Å; L152-L181 HydrophobicContact CG-CD2 4.43Å; L181-F183 HydrophobicContact CB-CD2 4.05Å; L181-F183 HydrophobicContact CB-CE2 3.51Å; L181-F183 HydrophobicContact CB-CZ 4.23Å; L181-F183 HydrophobicContact CD2-CE2 4.03Å; L181-F183 HydrophobicContact CD2-CZ 3.91Å; L181-F183 HydrophobicContact CG-CE2 4.29Å |
| 182 | C | 98.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 128.8 | 169 | -177 | 0 | 0 | 0 | 0 | 109.8 | W140 I141 C189 R190 G191 I214 L218 | W140-C182 WeakPolarHBondContact O-CA 3.42Å; I141-C182 HydrophobicContact CG1-CB 4.1Å; C182-C189 WeakPolarHBondContact O-CA 3.42Å; C182-R190 PolarHBondContact O-N 3.19Å; C182-G191 PolarHBondContact N-O 3.22Å; C182-I214 HydrophobicContact CB-CG2 3.73Å; C182-L218 HydrophobicContact CB-CD1 4.26Å; C182-L218 HydrophobicContact CB-CD2 4.39Å; C182-L218 HydrophobicContact CB-CG 4.45Å |
| 183 | F | 98.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 148.2 | 176.7 | -69.1 | -92.9 | 0 | 0 | 0 | 110.5 | F139 W140 Q142 D151 L181 R187 K188 C189 | F139-F183 CarbonylContact C-O 3.56Å; F139-F183 WeakPolarHBondContact CA-O 3.17Å; F139-F183 WeakPolarHBondContact CB-O 3.41Å; W140-F183 HydrophobicContact CD2-CB 4.02Å; W140-F183 HydrophobicContact CE3-CB 4.32Å; W140-F183 HydrophobicContact CH2-CB 4.02Å; W140-F183 HydrophobicContact CZ2-CB 3.69Å; W140-F183 HydrophobicContact CZ2-CG 4.38Å; W140-F183 HydrophobicContact CZ3-CB 4.33Å; W140-F183 PolarHBondContact N-O 3.31Å; W140-F183 PolarHBondContact O-N 2.71Å; Q142-F183 HydrophobicContact CG-CD2 3.97Å; Q142-F183 HydrophobicContact CG-CE2 3.71Å; D151-F183 HydrophobicContact CB-CE1 3.86Å; D151-F183 HydrophobicContact CB-CZ 3.95Å; L181-F183 HydrophobicContact CB-CD2 4.05Å; L181-F183 HydrophobicContact CB-CE2 3.51Å; L181-F183 HydrophobicContact CB-CZ 4.23Å; L181-F183 HydrophobicContact CD2-CE2 4.03Å; L181-F183 HydrophobicContact CD2-CZ 3.91Å; L181-F183 HydrophobicContact CG-CE2 4.29Å; F183-R187 HydrophobicContact CD1-CG 4.49Å; F183-R187 VanDerWaalsContact CD1-O 3.31Å; F183-R187 WeakPolarHBondContact CD1-O 3.46Å; F183-K188 WeakPolarHBondContact CA-O 3.31Å; F183-C189 HydrophobicContact CD1-CB 4.38Å; F183-C189 HydrophobicContact CE1-CB 4.16Å |
| 184 | D | 98.1 | Very high | 97 | Very high | 16 Ų | 16 | 44 Ų | 44 | 9% | 0.086 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 173.8 | 168.2 | 66.8 | 9.2 | 0 | 0 | 0 | 112.5 | G138 F139 W140 E186 R187 K188 R190 | G138-D184 CarbonylContact O-C 3.55Å; F139-D184 HydrophobicContact CD1-CB 4.08Å; F139-D184 HydrophobicContact CE1-CB 4Å; W140-D184 WeakPolarHBondContact CH2-O 3.35Å; W140-D184 WeakPolarHBondContact CZ3-O 3.19Å; D184-E186 PolarHBondContact O-N 3.43Å; D184-E186 WeakPolarHBondContact OD1-CA 3.28Å; D184-E186 PolarHBondContact OD1-N 2.88Å; D184-R187 WeakPolarHBondContact O-CA 3.48Å; D184-R187 PolarHBondContact O-N 3.24Å; D184-R187 PolarHBondContact OD1-N 3.43Å; D184-K188 PolarHBondContact N-O 3.39Å; D184-K188 VanDerWaalsContact N-O 3.11Å; D184-K188 PolarHBondContact OD1-N 2.66Å; D184-R190 HydrophobicContact CB-CG 3.99Å; D184-R190 IonicContact OD2-CZ 2.73Å; D184-R190 IonicContact OD2-NE 2.63Å; D184-R190 PolarHBondContact OD2-NE 2.86Å; D184-R190 IonicContact OD2-NH2 3.86Å; D184-R190 PolarHBondContact OD2-NH2 3.43Å |
| 185 | S | 96.4 | Very high | 97.2 | Very high | 99 Ų | 99 | 43.3 Ų | 43.3 | 69% | 0.692 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -50.2 | -23.4 | 176 | 64 | 0 | 0 | 0 | 0 | 116 | G138 R187 | G138-S185 PolarHBondContact O-N 3.43Å; S185-R187 VanDerWaalsContact C-N 3.34Å |
| 186 | E | 96.4 | Very high | 97.3 | Very high | 155 Ų | 155 | 34.6 Ų | 34.6 | 72% | 0.724 | 18% | 0.175 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.8 | 8 | 177.6 | -63.1 | -177.6 | 179 | 0 | 0 | 113 | D184 K188 | D184-E186 PolarHBondContact O-N 3.43Å; D184-E186 WeakPolarHBondContact OD1-CA 3.28Å; D184-E186 PolarHBondContact OD1-N 2.88Å; E186-K188 PolarHBondContact O-N 2.63Å |
| 187 | R | 95.9 | Very high | 97.3 | Very high | 90 Ų | 90 | 32 Ų | 32 | 34% | 0.34 | 17% | 0.166 | S | C | . | . | S | Bend | trans | 63.7 | 23.2 | -176.6 | -167.7 | 56.1 | -173.1 | 167.9 | -7.8 | 113.7 | W140 Q142 F183 D184 S185 | W140-R187 VanDerWaalsContact CE2-NH1 3.3Å; W140-R187 HydrophobicContact CH2-CB 4.44Å; W140-R187 VanDerWaalsContact CZ2-CD 3.41Å; Q142-R187 VanDerWaalsContact OE1-CZ 3.32Å; F183-R187 HydrophobicContact CD1-CG 4.49Å; F183-R187 VanDerWaalsContact CD1-O 3.31Å; F183-R187 WeakPolarHBondContact CD1-O 3.46Å; D184-R187 WeakPolarHBondContact O-CA 3.48Å; D184-R187 PolarHBondContact O-N 3.24Å; D184-R187 PolarHBondContact OD1-N 3.43Å; S185-R187 VanDerWaalsContact C-N 3.34Å |
| 188 | K | 97.9 | Very high | 96.9 | Very high | 112 Ų | 112 | 31.1 Ų | 31.1 | 49% | 0.487 | 16% | 0.159 | S | C | . | . | trans | -88.3 | 135.3 | 172.5 | -170.8 | 160.2 | 167.7 | -171.1 | 0 | 110.2 | F183 D184 E186 R190 | F183-K188 WeakPolarHBondContact CA-O 3.31Å; D184-K188 PolarHBondContact N-O 3.39Å; D184-K188 VanDerWaalsContact N-O 3.11Å; D184-K188 PolarHBondContact OD1-N 2.66Å; E186-K188 PolarHBondContact O-N 2.63Å; K188-R190 VanDerWaalsContact CD-NH1 3.28Å; K188-R190 PolarHBondContact O-N 2.81Å | ||
| 189 | C | 98.6 | Very high | 96.4 | Very high | 7 Ų | 7 | 31.4 Ų | 31.4 | 5% | 0.047 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 133.2 | 173.6 | -174.8 | 0 | 0 | 0 | 0 | 110 | D151 Y155 C182 F183 | D151-C189 HydrophobicContact CB-CB 4.34Å; Y155-C189 HydrophobicContact CD2-CB 4.25Å; Y155-C189 VanDerWaalsContact CD2-O 3.23Å; Y155-C189 WeakPolarHBondContact CD2-O 3.35Å; Y155-C189 HydrophobicContact CG-CB 4.29Å; C182-C189 WeakPolarHBondContact O-CA 3.42Å; F183-C189 HydrophobicContact CD1-CB 4.38Å; F183-C189 HydrophobicContact CE1-CB 4.16Å |
| 190 | R | 98.6 | Very high | 95.8 | Very high | 47 Ų | 47 | 35.8 Ų | 35.8 | 18% | 0.177 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | -1.2 | -176.3 | -61.8 | -75.3 | 175.4 | -128.5 | 2.4 | 113 | F139 Y155 C182 D184 K188 D210 I214 | F139-R190 HydrophobicContact CD1-CB 4.43Å; F139-R190 HydrophobicContact CD1-CG 4.3Å; F139-R190 HydrophobicContact CE1-CB 4.15Å; F139-R190 HydrophobicContact CE1-CG 3.88Å; Y155-R190 VanDerWaalsContact CE2-C 3.49Å; Y155-R190 PolarHBondContact OH-O 2.84Å; Y155-R190 VanDerWaalsContact OH-O 3.13Å; C182-R190 PolarHBondContact O-N 3.19Å; D184-R190 HydrophobicContact CB-CG 3.99Å; D184-R190 IonicContact OD2-CZ 2.73Å; D184-R190 IonicContact OD2-NE 2.63Å; D184-R190 PolarHBondContact OD2-NE 2.86Å; D184-R190 IonicContact OD2-NH2 3.86Å; D184-R190 PolarHBondContact OD2-NH2 3.43Å; K188-R190 VanDerWaalsContact CD-NH1 3.28Å; K188-R190 PolarHBondContact O-N 2.81Å; R190-D210 WeakPolarHBondContact CD-OD2 3.44Å; R190-D210 IonicContact NH1-OD2 2.79Å; R190-D210 PolarHBondContact O-N 2.77Å; R190-I214 HydrophobicContact CB-CD1 3.67Å |
| 191 | G | 98.7 | Very high | 95.5 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 168.1 | 158.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | C182 Y208 | C182-G191 PolarHBondContact N-O 3.22Å; G191-Y208 CarbonylContact C-O 3.45Å; G191-Y208 WeakPolarHBondContact CA-O 3.46Å |
| 192 | Y | 98.7 | Very high | 95.2 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 157.9 | 168.5 | 75.8 | -80.1 | 0 | 0 | 0 | 109.8 | L152 Y155 D156 T179 L180 P206 L207 Y208 | L152-Y192 HydrophobicContact CD1-CD2 3.72Å; L152-Y192 HydrophobicContact CD1-CE2 4.04Å; L152-Y192 HydrophobicContact CD1-CG 4.11Å; L152-Y192 HydrophobicContact CD2-CD2 4.28Å; L152-Y192 HydrophobicContact CD2-CE1 4.21Å; L152-Y192 HydrophobicContact CD2-CE2 3.87Å; L152-Y192 HydrophobicContact CG-CD1 4.2Å; L152-Y192 HydrophobicContact CG-CD2 3.96Å; L152-Y192 HydrophobicContact CG-CE1 4.32Å; L152-Y192 HydrophobicContact CG-CE2 4.07Å; L152-Y192 HydrophobicContact CG-CG 4.01Å; Y155-Y192 AromaticContact CD1-CD1 3.71Å; Y155-Y192 HydrophobicContact CD1-CD1 3.71Å; Y155-Y192 AromaticContact CD1-CE1 3.96Å; Y155-Y192 HydrophobicContact CD1-CE1 3.96Å; Y155-Y192 HydrophobicContact CE1-CD1 4.16Å; Y155-Y192 HydrophobicContact CE1-CE1 4.47Å; D156-Y192 HydrophobicContact CB-CE1 4.2Å; D156-Y192 PolarHBondContact OD1-OH 2.85Å; T179-Y192 HydrophobicContact CG2-CD2 4.12Å; L180-Y192 CarbonylContact O-C 3.36Å; L180-Y192 WeakPolarHBondContact O-CA 3.21Å; L180-Y192 VanDerWaalsContact O-CB 3.27Å; L180-Y192 WeakPolarHBondContact O-CB 3.34Å; Y192-P206 HydrophobicContact CD2-CG 4.37Å; Y192-P206 HydrophobicContact CE2-CG 3.35Å; Y192-P206 VanDerWaalsContact OH-CG 3.32Å; Y192-P206 WeakPolarHBondContact OH-CG 3.45Å; Y192-L207 WeakPolarHBondContact O-CA 3.49Å; Y192-Y208 HydrophobicContact CD1-CD2 4.49Å; Y192-Y208 AromaticContact CE1-CD2 3.54Å; Y192-Y208 HydrophobicContact CE1-CD2 3.54Å; Y192-Y208 HydrophobicContact CE1-CE2 4.2Å; Y192-Y208 HydrophobicContact CE1-CG 4.35Å; Y192-Y208 AromaticContact CZ-CD2 3.77Å; Y192-Y208 AromaticContact CZ-CE2 3.97Å; Y192-Y208 PolarHBondContact N-O 2.76Å; Y192-Y208 PolarHBondContact O-N 3.37Å; Y192-Y208 VanDerWaalsContact O-O 3.05Å; Y192-Y208 VanDerWaalsContact OH-CE2 3.31Å; Y192-Y208 WeakPolarHBondContact OH-CE2 3.21Å |
| 193 | G | 98.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 148.8 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | T179 L180 P206 L222 | T179-G193 CarbonylContact C-O 3.55Å; T179-G193 WeakPolarHBondContact CA-O 3.13Å; L180-G193 PolarHBondContact N-O 3.12Å; L180-G193 PolarHBondContact O-N 3.19Å; G193-P206 CarbonylContact C-O 3.57Å; G193-P206 WeakPolarHBondContact CA-O 3.01Å; G193-L222 WeakPolarHBondContact O-CD1 3.27Å |
| 194 | T | 97 | Very high | 94.8 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 125.4 | 179.8 | -61.7 | 0 | 0 | 0 | 0 | 109.5 | A177 T179 R196 L204 S205 P206 | A177-T194 HydrophobicContact CB-CG2 3.92Å; T179-T194 VanDerWaalsContact CG2-OG1 3.29Å; T179-T194 WeakPolarHBondContact CG2-OG1 3.29Å; T179-T194 WeakPolarHBondContact OG1-CG2 3.17Å; T179-T194 PolarHBondContact OG1-OG1 3Å; T194-R196 HydrophobicContact CG2-CB 4.38Å; T194-L204 CarbonylContact O-C 3.58Å; T194-L204 WeakPolarHBondContact O-CA 3.1Å; T194-S205 WeakPolarHBondContact CB-O 3.29Å; T194-S205 CarbonylContact O-C 3.4Å; T194-S205 PolarHBondContact O-N 3.03Å; T194-P206 PolarHBondContact N-O 2.73Å |
| 195 | L | 96.5 | Very high | 94.5 | Very high | 6 Ų | 6 | 38.4 Ų | 38.4 | 3% | 0.031 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 121.5 | 165.4 | -179.7 | 73.3 | 0 | 0 | 0 | 107.7 | A177 T178 Y202 T203 L204 L222 K225 L226 I232 | A177-L195 WeakPolarHBondContact CA-O 2.64Å; T178-L195 PolarHBondContact N-O 3.01Å; T178-L195 PolarHBondContact O-N 3.49Å; L195-Y202 HydrophobicContact CD1-CD1 4.34Å; L195-Y202 HydrophobicContact CD2-CD1 4.35Å; L195-Y202 HydrophobicContact CG-CD1 4.07Å; L195-T203 WeakPolarHBondContact CA-O 3.39Å; L195-L204 HydrophobicContact CD1-CB 4.35Å; L195-L222 HydrophobicContact CB-CB 4.31Å; L195-L222 HydrophobicContact CB-CD2 3.98Å; L195-L222 WeakPolarHBondContact CD2-O 3.4Å; L195-K225 HydrophobicContact CD2-CB 3.97Å; L195-L226 HydrophobicContact CD1-CD1 4.18Å; L195-L226 HydrophobicContact CD1-CD2 4.15Å; L195-L226 HydrophobicContact CD1-CG 4.33Å; L195-L226 HydrophobicContact CD2-CD2 3.8Å; L195-L226 HydrophobicContact CD2-CG 3.95Å; L195-L226 HydrophobicContact CG-CD2 4.45Å; L195-I232 HydrophobicContact CD1-CD1 3.92Å |
| 196 | R | 93.8 | Very high | 94.4 | Very high | 8 Ų | 8 | 33.7 Ų | 33.7 | 3% | 0.03 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 132.9 | -175.7 | -169 | 172.6 | 177.8 | 71.7 | 20.8 | 111.8 | N31 W171 E176 A177 T194 Y202 T203 | N31-R196 PolarHBondContact OD1-NE 2.79Å; W171-R196 HydrophobicContact CZ2-CB 4.49Å; W171-R196 PolarHBondContact O-NH1 2.79Å; E176-R196 HydrophobicContact CB-CG 4.25Å; E176-R196 CarbonylContact O-C 3.5Å; E176-R196 VanDerWaalsContact O-CA 3.32Å; E176-R196 WeakPolarHBondContact O-CA 3.16Å; E176-R196 IonicContact OE2-CZ 3.55Å; E176-R196 IonicContact OE2-NH1 3.14Å; E176-R196 IonicContact OE2-NH2 3.61Å; E176-R196 PolarHBondContact OE2-NH2 2.86Å; A177-R196 HydrophobicContact CB-CG 4.41Å; T194-R196 HydrophobicContact CG2-CB 4.38Å; R196-Y202 CarbonylContact O-C 3.51Å; R196-Y202 VanDerWaalsContact O-CA 3.27Å; R196-Y202 WeakPolarHBondContact O-CA 3.29Å; R196-T203 HydrophobicContact CB-CG2 4.02Å; R196-T203 PolarHBondContact N-O 2.76Å; R196-T203 PolarHBondContact O-N 2.89Å |
| 197 | S | 92.6 | Very high | 94.5 | Very high | 35 Ų | 35 | 26.3 Ų | 26.3 | 25% | 0.245 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 132.4 | 171.1 | -178.9 | 0 | 0 | 0 | 0 | 110.5 | E176 | E176-S197 PolarHBondContact O-N 2.93Å |
| 198 | C | 87.7 | Confident | 94.6 | Very high | 1 Ų | 1 | 22 Ų | 22 | 1% | 0.007 | 13% | 0.13 | C | C | . | . | trans | -124.6 | 44.3 | 178.2 | -64.8 | 0 | 0 | 0 | 0 | 109.3 | P30 N31 S200 Y201 | P30-C198 HydrophobicContact CG-CB 4.11Å; P30-C198 WeakPolarHBondContact CG-O 3.37Å; N31-C198 PolarHBondContact ND2-SG 3.15Å; N31-C198 VanDerWaalsContact ND2-SG 3.35Å; C198-S200 PolarHBondContact O-N 3.41Å; C198-Y201 CarbonylContact C-O 3.53Å; C198-Y201 WeakPolarHBondContact CA-O 3.17Å; C198-Y201 HydrophobicContact CB-CD1 3.94Å; C198-Y201 HydrophobicContact CB-CD2 4.23Å; C198-Y201 HydrophobicContact CB-CE1 3.49Å; C198-Y201 VanDerWaalsContact CB-CE1 3.49Å; C198-Y201 HydrophobicContact CB-CE2 3.79Å; C198-Y201 HydrophobicContact CB-CG 4.28Å; C198-Y201 WeakPolarHBondContact CB-O 3.27Å; C198-Y201 PolarHBondContact N-O 2.86Å | ||
| 199 | G | 85.6 | Confident | 94.6 | Very high | 67 Ų | 67 | 16.7 Ų | 16.7 | 69% | 0.691 | 11% | 0.107 | S | C | * | . | S | Bend | trans | 72.6 | -85.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 200 | S | 87.1 | Confident | 94.6 | Very high | 99 Ų | 99 | 18.8 Ų | 18.8 | 69% | 0.692 | 12% | 0.117 | S | C | * | . | S | Bend | trans | -88.8 | -5.3 | -176.7 | 62.6 | 0 | 0 | 0 | 0 | 114.3 | C198 | C198-S200 PolarHBondContact O-N 3.41Š|
| 201 | Y | 91.1 | Very high | 94.6 | Very high | 13 Ų | 13 | 20 Ų | 20 | 5% | 0.051 | 13% | 0.127 | C | C | . | . | S | Bend | trans | -153.4 | 170.8 | 179.3 | 72.7 | -78.7 | 0 | 0 | 0 | 110.1 | V27 G28 C198 H231 C233 | V27-Y201 WeakPolarHBondContact CA-OH 3.37Å; V27-Y201 HydrophobicContact CG1-CE2 4.29Å; G28-Y201 PolarHBondContact N-OH 2.89Å; C198-Y201 CarbonylContact C-O 3.53Å; C198-Y201 WeakPolarHBondContact CA-O 3.17Å; C198-Y201 HydrophobicContact CB-CD1 3.94Å; C198-Y201 HydrophobicContact CB-CD2 4.23Å; C198-Y201 HydrophobicContact CB-CE1 3.49Å; C198-Y201 VanDerWaalsContact CB-CE1 3.49Å; C198-Y201 HydrophobicContact CB-CE2 3.79Å; C198-Y201 HydrophobicContact CB-CG 4.28Å; C198-Y201 WeakPolarHBondContact CB-O 3.27Å; C198-Y201 PolarHBondContact N-O 2.86Å; Y201-H231 CarbonylContact C-O 3.48Å; Y201-H231 VanDerWaalsContact CA-O 3.26Å; Y201-H231 WeakPolarHBondContact CA-O 3.1Å; Y201-H231 WeakPolarHBondContact CB-O 2.82Å; Y201-C233 HydrophobicContact CD2-CB 3.77Å; Y201-C233 WeakPolarHBondContact CD2-SG 3.25Å; Y201-C233 HydrophobicContact CE2-CB 3.86Å |
| 202 | Y | 93.6 | Very high | 94.5 | Very high | 68 Ų | 68 | 24 Ų | 24 | 27% | 0.267 | 15% | 0.149 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 148.9 | 170 | -72.1 | -98.5 | 0 | 0 | 0 | 110 | L195 R196 L226 D230 H231 I232 C233 | L195-Y202 HydrophobicContact CD1-CD1 4.34Å; L195-Y202 HydrophobicContact CD2-CD1 4.35Å; L195-Y202 HydrophobicContact CG-CD1 4.07Å; R196-Y202 CarbonylContact O-C 3.51Å; R196-Y202 VanDerWaalsContact O-CA 3.27Å; R196-Y202 WeakPolarHBondContact O-CA 3.29Å; Y202-L226 HydrophobicContact CD1-CD2 3.85Å; Y202-L226 HydrophobicContact CD2-CD2 3.55Å; Y202-L226 HydrophobicContact CE1-CD2 4.25Å; Y202-L226 HydrophobicContact CE2-CD2 3.98Å; Y202-L226 HydrophobicContact CG-CD2 3.47Å; Y202-L226 VanDerWaalsContact CG-CD2 3.47Å; Y202-D230 HydrophobicContact CD2-CB 3.93Å; Y202-D230 HydrophobicContact CE2-CB 3.93Å; Y202-H231 PolarHBondContact N-O 3.21Å; Y202-I232 CarbonylContact O-C 3.58Å; Y202-I232 WeakPolarHBondContact O-CA 3.17Å; Y202-I232 WeakPolarHBondContact O-CD1 3.28Å; Y202-C233 PolarHBondContact O-N 3.27Å |
| 203 | T | 93 | Very high | 94.5 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 134.3 | 166.3 | -173.6 | 0 | 0 | 0 | 0 | 109.7 | W171 L195 R196 S205 C233 | W171-T203 HydrophobicContact CH2-CG2 4.34Å; W171-T203 HydrophobicContact CZ2-CG2 4.01Å; L195-T203 WeakPolarHBondContact CA-O 3.39Å; R196-T203 HydrophobicContact CB-CG2 4.02Å; R196-T203 PolarHBondContact N-O 2.76Å; R196-T203 PolarHBondContact O-N 2.89Å; T203-S205 PolarHBondContact O-N 2.92Å; T203-S205 WeakPolarHBondContact OG1-CB 3.42Å; T203-C233 WeakPolarHBondContact CA-O 3.41Å |
| 204 | L | 94.5 | Very high | 94.6 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 94.4 | 166.7 | -168.9 | 155.6 | 0 | 0 | 0 | 106.7 | T194 L195 L207 F219 L222 I232 C233 M234 C280 | T194-L204 CarbonylContact O-C 3.58Å; T194-L204 WeakPolarHBondContact O-CA 3.1Å; L195-L204 HydrophobicContact CD1-CB 4.35Å; L204-L207 HydrophobicContact CD2-CB 3.59Å; L204-L207 HydrophobicContact CD2-CD2 3.93Å; L204-L207 HydrophobicContact CD2-CG 4.26Å; L204-F219 HydrophobicContact CD1-CD2 3.87Å; L204-F219 HydrophobicContact CD1-CE2 4.17Å; L204-F219 HydrophobicContact CD1-CG 4.46Å; L204-F219 HydrophobicContact CD2-CD2 4.49Å; L204-L222 HydrophobicContact CD1-CB 4.1Å; L204-L222 HydrophobicContact CD1-CD1 4.49Å; L204-I232 HydrophobicContact CB-CD1 4.18Å; L204-C233 PolarHBondContact N-O 3.34Å; L204-M234 HydrophobicContact CB-CG 4Å; L204-M234 HydrophobicContact CB-SD 4.13Å; L204-C280 HydrophobicContact CD2-CB 4.04Å; L204-C280 WeakPolarHBondContact O-CB 3.49Å |
| 205 | S | 92.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -165.9 | 135.1 | -173 | -170.6 | 0 | 0 | 0 | 0 | 114 | W171 T194 T203 M281 H282 | W171-S205 PolarHBondContact NE1-O 2.53Å; T194-S205 WeakPolarHBondContact CB-O 3.29Å; T194-S205 CarbonylContact O-C 3.4Å; T194-S205 PolarHBondContact O-N 3.03Å; T203-S205 PolarHBondContact O-N 2.92Å; T203-S205 WeakPolarHBondContact OG1-CB 3.42Å; S205-M281 WeakPolarHBondContact CB-O 3.35Å; S205-M281 PolarHBondContact OG-O 3.33Å; S205-H282 WeakPolarHBondContact OG-CA 3.15Å; S205-H282 WeakPolarHBondContact OG-CB 3.49Å; S205-H282 PolarHBondContact OG-N 3.24Å |
| 206 | P | 94.7 | Very high | 94.7 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | cis | -72.9 | 170.7 | -10.4 | 32.6 | -37.6 | 0 | 0 | 0 | 112.3 | Y192 G193 T194 Y208 C280 | Y192-P206 HydrophobicContact CD2-CG 4.37Å; Y192-P206 HydrophobicContact CE2-CG 3.35Å; Y192-P206 VanDerWaalsContact OH-CG 3.32Å; Y192-P206 WeakPolarHBondContact OH-CG 3.45Å; G193-P206 CarbonylContact C-O 3.57Å; G193-P206 WeakPolarHBondContact CA-O 3.01Å; T194-P206 PolarHBondContact N-O 2.73Å; P206-Y208 HydrophobicContact CB-CD1 4.32Å; P206-Y208 HydrophobicContact CB-CD2 4.29Å; P206-Y208 HydrophobicContact CB-CE1 3.65Å; P206-Y208 HydrophobicContact CB-CE2 3.59Å; P206-Y208 WeakPolarHBondContact CB-OH 3.42Å; P206-Y208 HydrophobicContact CG-CE2 3.97Å; P206-C280 WeakPolarHBondContact CA-O 3.48Å |
| 207 | L | 97.9 | Very high | 95 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 109.2 | 159.2 | 176.4 | 65.6 | 0 | 0 | 0 | 107.7 | Y192 L204 L218 F219 Y279 C280 | Y192-L207 WeakPolarHBondContact O-CA 3.49Å; L204-L207 HydrophobicContact CD2-CB 3.59Å; L204-L207 HydrophobicContact CD2-CD2 3.93Å; L204-L207 HydrophobicContact CD2-CG 4.26Å; L207-L218 HydrophobicContact CD1-CB 3.61Å; L207-L218 HydrophobicContact CD1-CD1 4.06Å; L207-F219 HydrophobicContact CD2-CB 4.02Å; L207-F219 HydrophobicContact CD2-CD2 4.23Å; L207-Y279 WeakPolarHBondContact O-CA 3.35Å; L207-Y279 VanDerWaalsContact O-CB 3.31Å; L207-Y279 WeakPolarHBondContact O-CB 3.44Å; L207-Y279 PolarHBondContact O-N 2.7Å; L207-C280 HydrophobicContact CB-CB 3.83Å; L207-C280 PolarHBondContact N-O 2.97Å; L207-C280 PolarHBondContact O-N 3.14Å; L207-C280 VanDerWaalsContact O-N 3.08Å |
| 208 | Y | 97.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 142.7 | 175.1 | -54.7 | -29.5 | 0 | 0 | 0 | 110.9 | V159 R164 G191 Y192 P206 K277 V278 C280 W285 | V159-Y208 HydrophobicContact CB-CD2 4.25Å; V159-Y208 HydrophobicContact CG1-CD1 4.36Å; V159-Y208 HydrophobicContact CG1-CD2 4Å; V159-Y208 HydrophobicContact CG1-CE2 4.5Å; V159-Y208 HydrophobicContact CG1-CG 4.01Å; V159-Y208 HydrophobicContact CG2-CD2 4.39Å; V159-Y208 HydrophobicContact CG2-CG 4.48Å; R164-Y208 PolarHBondContact NH2-OH 3.09Å; G191-Y208 CarbonylContact C-O 3.45Å; G191-Y208 WeakPolarHBondContact CA-O 3.46Å; Y192-Y208 HydrophobicContact CD1-CD2 4.49Å; Y192-Y208 AromaticContact CE1-CD2 3.54Å; Y192-Y208 HydrophobicContact CE1-CD2 3.54Å; Y192-Y208 HydrophobicContact CE1-CE2 4.2Å; Y192-Y208 HydrophobicContact CE1-CG 4.35Å; Y192-Y208 AromaticContact CZ-CD2 3.77Å; Y192-Y208 AromaticContact CZ-CE2 3.97Å; Y192-Y208 PolarHBondContact N-O 2.76Å; Y192-Y208 PolarHBondContact O-N 3.37Å; Y192-Y208 VanDerWaalsContact O-O 3.05Å; Y192-Y208 VanDerWaalsContact OH-CE2 3.31Å; Y192-Y208 WeakPolarHBondContact OH-CE2 3.21Å; P206-Y208 HydrophobicContact CB-CD1 4.32Å; P206-Y208 HydrophobicContact CB-CD2 4.29Å; P206-Y208 HydrophobicContact CB-CE1 3.65Å; P206-Y208 HydrophobicContact CB-CE2 3.59Å; P206-Y208 WeakPolarHBondContact CB-OH 3.42Å; P206-Y208 HydrophobicContact CG-CE2 3.97Å; Y208-K277 WeakPolarHBondContact CA-O 3.41Å; Y208-V278 HydrophobicContact CD1-CB 4.27Å; Y208-V278 HydrophobicContact CD1-CG1 4.35Å; Y208-V278 HydrophobicContact CD1-CG2 3.98Å; Y208-V278 HydrophobicContact CE1-CB 4.3Å; Y208-V278 HydrophobicContact CE1-CG1 3.96Å; Y208-V278 HydrophobicContact CE1-CG2 3.95Å; Y208-C280 WeakPolarHBondContact CE1-O 3.08Å; Y208-W285 HydrophobicContact CE1-CE3 4.37Å; Y208-W285 AromaticContact CE1-CH2 3.98Å; Y208-W285 HydrophobicContact CE1-CH2 3.98Å; Y208-W285 AromaticContact CE1-CZ3 3.67Å; Y208-W285 HydrophobicContact CE1-CZ3 3.67Å; Y208-W285 HydrophobicContact CE2-CH2 4.14Å; Y208-W285 AromaticContact CE2-CZ3 3.59Å; Y208-W285 HydrophobicContact CE2-CZ3 3.59Å; Y208-W285 AromaticContact CZ-CE3 3.74Å; Y208-W285 AromaticContact CZ-CH2 3.64Å; Y208-W285 AromaticContact CZ-CZ3 2.98Å; Y208-W285 WeakPolarHBondContact OH-CZ3 3.44Å |
| 209 | A | 98.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.5 | 151.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y155 D211 I214 A215 K277 Y279 | Y155-A209 WeakPolarHBondContact OH-CA 3.45Å; A209-D211 VanDerWaalsContact C-N 3.26Å; A209-D211 WeakPolarHBondContact CB-O 3Å; A209-D211 PolarHBondContact O-N 3.26Å; A209-I214 HydrophobicContact CB-CB 3.94Å; A209-I214 HydrophobicContact CB-CG2 3.71Å; A209-A215 HydrophobicContact CB-CB 3.77Å; A209-K277 PolarHBondContact N-O 2.91Å; A209-K277 WeakPolarHBondContact O-CA 3.16Å; A209-K277 VanDerWaalsContact O-CB 3.24Å; A209-K277 WeakPolarHBondContact O-CB 3.34Å; A209-K277 WeakPolarHBondContact O-CG 3.3Å; A209-Y279 HydrophobicContact CB-CD2 4.08Å; A209-Y279 HydrophobicContact CB-CE2 3.82Å |
| 210 | D | 98.5 | Very high | 96.4 | Very high | 51 Ų | 51 | 24.7 Ų | 24.7 | 27% | 0.273 | 14% | 0.137 | S | C | . | . | S | Bend | trans | -68.9 | -26.6 | 175.9 | -74.1 | -0.9 | 0 | 0 | 0 | 112.2 | Y155 R190 I214 K277 | Y155-D210 VanDerWaalsContact CE2-OD1 3.22Å; Y155-D210 WeakPolarHBondContact CE2-OD1 3.47Å; Y155-D210 PolarHBondContact OH-N 2.85Å; Y155-D210 PolarHBondContact OH-OD1 3.02Å; R190-D210 WeakPolarHBondContact CD-OD2 3.44Å; R190-D210 IonicContact NH1-OD2 2.79Å; R190-D210 PolarHBondContact O-N 2.77Å; D210-I214 HydrophobicContact CB-CD1 4.36Å; D210-K277 VanDerWaalsContact OD1-CE 3.27Å; D210-K277 WeakPolarHBondContact OD1-CE 3.46Å; D210-K277 IonicContact OD1-NZ 3.92Å; D210-K277 PolarHBondContact OD1-NZ 2.85Å; D210-K277 IonicContact OD2-NZ 3.16Å |
| 211 | D | 98.2 | Very high | 96.9 | Very high | 71 Ų | 71 | 23.5 Ų | 23.5 | 38% | 0.38 | 12% | 0.12 | S | C | . | . | S | Bend | trans | -153.3 | 170.5 | 179 | 65.1 | 64.2 | 0 | 0 | 0 | 113.6 | A209 G213 I214 A215 Y279 | A209-D211 VanDerWaalsContact C-N 3.26Å; A209-D211 WeakPolarHBondContact CB-O 3Å; A209-D211 PolarHBondContact O-N 3.26Å; D211-G213 VanDerWaalsContact C-N 3.26Å; D211-G213 PolarHBondContact O-N 2.86Å; D211-G213 VanDerWaalsContact OD1-CA 3.3Å; D211-G213 WeakPolarHBondContact OD1-CA 3.35Å; D211-G213 PolarHBondContact OD1-N 2.9Å; D211-I214 PolarHBondContact O-N 3.13Å; D211-I214 PolarHBondContact OD1-N 3.36Å; D211-A215 PolarHBondContact O-N 3.1Å; D211-A215 VanDerWaalsContact O-N 3.12Å; D211-Y279 PolarHBondContact O-OH 2.88Å |
| 212 | D | 98.1 | Very high | 97.2 | Very high | 86 Ų | 86 | 22.9 Ų | 22.9 | 46% | 0.46 | 12% | 0.118 | S | C | . | . | H | α-helix | trans | -61.3 | -33 | -178 | -84.8 | -1.1 | 0 | 0 | 0 | 112.3 | E216 L242 Y279 | D212-E216 VanDerWaalsContact O-CB 3.31Å; D212-E216 WeakPolarHBondContact O-CB 3.25Å; D212-E216 PolarHBondContact O-N 2.78Å; D212-L242 HydrophobicContact CB-CD2 4.16Å; D212-L242 VanDerWaalsContact O-CD2 3.32Å; D212-L242 WeakPolarHBondContact O-CD2 3.19Å; D212-Y279 WeakPolarHBondContact CA-OH 3.19Å; D212-Y279 PolarHBondContact N-OH 3.28Å; D212-Y279 VanDerWaalsContact OD1-CE1 3.26Å; D212-Y279 WeakPolarHBondContact OD1-CE1 3.45Å; D212-Y279 PolarHBondContact OD1-OH 3.24Å |
| 213 | G | 98.3 | Very high | 97.4 | Very high | 29 Ų | 29 | 19.6 Ų | 19.6 | 30% | 0.299 | 11% | 0.105 | S | C | . | . | H | α-helix | trans | -66.5 | -49.7 | -179 | 0 | 0 | 0 | 0 | 0 | 110.8 | D211 A215 E216 V217 | D211-G213 VanDerWaalsContact C-N 3.26Å; D211-G213 PolarHBondContact O-N 2.86Å; D211-G213 VanDerWaalsContact OD1-CA 3.3Å; D211-G213 WeakPolarHBondContact OD1-CA 3.35Å; D211-G213 PolarHBondContact OD1-N 2.9Å; G213-A215 VanDerWaalsContact C-N 3.35Å; G213-A215 PolarHBondContact O-N 2.79Å; G213-E216 PolarHBondContact O-N 3.49Å; G213-V217 WeakPolarHBondContact O-CG2 3.27Å; G213-V217 PolarHBondContact O-N 2.78Å; G213-V217 VanDerWaalsContact O-N 3.12Å |
| 214 | I | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -60.7 | -45.9 | 176.5 | -64.5 | 173 | 0 | 0 | 0 | 110.7 | L136 F139 C182 R190 A209 D210 D211 E216 V217 L218 | L136-I214 HydrophobicContact CD1-CG1 4.22Å; L136-I214 HydrophobicContact CD2-CG1 4.47Å; F139-I214 HydrophobicContact CD1-CD1 4.17Å; F139-I214 HydrophobicContact CE1-CD1 3.75Å; F139-I214 HydrophobicContact CE1-CG1 4.45Å; F139-I214 HydrophobicContact CZ-CD1 4.29Å; C182-I214 HydrophobicContact CB-CG2 3.73Å; R190-I214 HydrophobicContact CB-CD1 3.67Å; A209-I214 HydrophobicContact CB-CB 3.94Å; A209-I214 HydrophobicContact CB-CG2 3.71Å; D210-I214 HydrophobicContact CB-CD1 4.36Å; D211-I214 PolarHBondContact O-N 3.13Å; D211-I214 PolarHBondContact OD1-N 3.36Å; I214-E216 PolarHBondContact O-N 3.36Å; I214-V217 PolarHBondContact O-N 2.91Å; I214-L218 HydrophobicContact CG2-CD1 3.82Å; I214-L218 HydrophobicContact CG2-CG 4.47Å; I214-L218 WeakPolarHBondContact O-CG 3.32Å; I214-L218 PolarHBondContact O-N 3.05Å |
| 215 | A | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -59.1 | -44.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | A209 D211 G213 V217 L218 F219 L242 Y279 | A209-A215 HydrophobicContact CB-CB 3.77Å; D211-A215 PolarHBondContact O-N 3.1Å; D211-A215 VanDerWaalsContact O-N 3.12Å; G213-A215 VanDerWaalsContact C-N 3.35Å; G213-A215 PolarHBondContact O-N 2.79Å; A215-V217 PolarHBondContact O-N 3.17Å; A215-L218 PolarHBondContact O-N 3.47Å; A215-F219 WeakPolarHBondContact O-CB 3.5Å; A215-F219 PolarHBondContact O-N 2.89Å; A215-L242 HydrophobicContact CB-CD2 3.78Å; A215-Y279 HydrophobicContact CB-CD1 3.35Å; A215-Y279 HydrophobicContact CB-CD2 3.77Å; A215-Y279 HydrophobicContact CB-CE1 3.4Å; A215-Y279 HydrophobicContact CB-CE2 3.81Å; A215-Y279 HydrophobicContact CB-CG 3.57Å |
| 216 | E | 98.5 | Very high | 98 | Very high | 38 Ų | 38 | 30 Ų | 30 | 18% | 0.178 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -65.4 | -38.7 | -178.3 | -166 | 167.5 | -151.5 | 0 | 0 | 111.9 | P133 D212 G213 I214 Y220 L242 R245 | P133-E216 HydrophobicContact CB-CB 4.46Å; P133-E216 HydrophobicContact CB-CG 3.96Å; P133-E216 HydrophobicContact CG-CG 4.42Å; D212-E216 VanDerWaalsContact O-CB 3.31Å; D212-E216 WeakPolarHBondContact O-CB 3.25Å; D212-E216 PolarHBondContact O-N 2.78Å; G213-E216 PolarHBondContact O-N 3.49Å; I214-E216 PolarHBondContact O-N 3.36Å; E216-Y220 VanDerWaalsContact O-CB 3.22Å; E216-Y220 WeakPolarHBondContact O-CB 3.46Å; E216-Y220 PolarHBondContact O-N 3.37Å; E216-L242 HydrophobicContact CB-CD1 4.19Å; E216-L242 HydrophobicContact CB-CD2 4.09Å; E216-L242 HydrophobicContact CG-CD1 4.18Å; E216-R245 VanDerWaalsContact CD-NH2 3.28Å; E216-R245 IonicContact OE1-CZ 3.22Å; E216-R245 IonicContact OE1-NH2 3.6Å; E216-R245 PolarHBondContact OE1-NH2 2.98Å; E216-R245 IonicContact OE2-NH2 3.65Å; E216-R245 PolarHBondContact OE2-NH2 2.92Å |
| 217 | V | 98.5 | Very high | 98.1 | Very high | 13 Ų | 13 | 36.9 Ų | 36.9 | 8% | 0.079 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -70.1 | -44.9 | 177 | -173.3 | 0 | 0 | 0 | 0 | 112 | P133 L136 I141 G213 I214 A215 Y220 Q221 | P133-V217 HydrophobicContact CB-CG2 4.06Å; P133-V217 HydrophobicContact CG-CB 4.3Å; P133-V217 HydrophobicContact CG-CG2 3.77Å; L136-V217 HydrophobicContact CD1-CB 3.89Å; L136-V217 HydrophobicContact CD1-CG1 4.35Å; L136-V217 HydrophobicContact CD1-CG2 3.71Å; L136-V217 HydrophobicContact CD2-CG2 4.07Å; L136-V217 HydrophobicContact CG-CB 4.37Å; L136-V217 HydrophobicContact CG-CG2 3.64Å; I141-V217 HydrophobicContact CD1-CB 3.95Å; I141-V217 HydrophobicContact CD1-CG1 3.27Å; G213-V217 WeakPolarHBondContact O-CG2 3.27Å; G213-V217 PolarHBondContact O-N 2.78Å; G213-V217 VanDerWaalsContact O-N 3.12Å; I214-V217 PolarHBondContact O-N 2.91Å; A215-V217 PolarHBondContact O-N 3.17Å; V217-Y220 PolarHBondContact O-N 3.49Å; V217-Q221 HydrophobicContact CG1-CG 4.43Å; V217-Q221 WeakPolarHBondContact O-CG 3.32Å; V217-Q221 PolarHBondContact O-N 3.08Å |
| 218 | L | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60.6 | -47.3 | 175.9 | -74.3 | 169.4 | 0 | 0 | 0 | 111 | I141 L180 C182 L207 I214 A215 Y220 Q221 L222 | I141-L218 HydrophobicContact CD1-CD2 4.1Å; I141-L218 HydrophobicContact CD1-CG 4.39Å; I141-L218 HydrophobicContact CG1-CD2 4.22Å; I141-L218 HydrophobicContact CG2-CD2 4.22Å; L180-L218 HydrophobicContact CB-CD2 3.79Å; C182-L218 HydrophobicContact CB-CD1 4.26Å; C182-L218 HydrophobicContact CB-CD2 4.39Å; C182-L218 HydrophobicContact CB-CG 4.45Å; L207-L218 HydrophobicContact CD1-CB 3.61Å; L207-L218 HydrophobicContact CD1-CD1 4.06Å; I214-L218 HydrophobicContact CG2-CD1 3.82Å; I214-L218 HydrophobicContact CG2-CG 4.47Å; I214-L218 WeakPolarHBondContact O-CG 3.32Å; I214-L218 PolarHBondContact O-N 3.05Å; A215-L218 PolarHBondContact O-N 3.47Å; L218-Y220 PolarHBondContact O-N 3Å; L218-Q221 PolarHBondContact O-N 2.98Å; L218-L222 WeakPolarHBondContact O-CB 3.26Å; L218-L222 VanDerWaalsContact O-CG 3.3Å; L218-L222 WeakPolarHBondContact O-CG 3.48Å; L218-L222 PolarHBondContact O-N 2.92Å |
| 219 | F | 98.5 | Very high | 97.9 | Very high | 1 Ų | 1 | 44.1 Ų | 44.1 | 0% | 0.004 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -54.7 | -52.3 | 174.3 | -179.1 | -82 | 0 | 0 | 0 | 110.9 | L130 L204 L207 A215 Q221 L222 F223 M234 L243 L246 L250 | L130-F219 HydrophobicContact CD1-CD1 4.39Å; L130-F219 HydrophobicContact CD1-CE1 3.87Å; L130-F219 HydrophobicContact CD2-CE1 3.98Å; L204-F219 HydrophobicContact CD1-CD2 3.87Å; L204-F219 HydrophobicContact CD1-CE2 4.17Å; L204-F219 HydrophobicContact CD1-CG 4.46Å; L204-F219 HydrophobicContact CD2-CD2 4.49Å; L207-F219 HydrophobicContact CD2-CB 4.02Å; L207-F219 HydrophobicContact CD2-CD2 4.23Å; A215-F219 WeakPolarHBondContact O-CB 3.5Å; A215-F219 PolarHBondContact O-N 2.89Å; F219-Q221 PolarHBondContact O-N 2.64Å; F219-L222 PolarHBondContact O-N 2.85Å; F219-F223 HydrophobicContact CD1-CB 4.4Å; F219-F223 HydrophobicContact CE1-CB 4.18Å; F219-F223 HydrophobicContact CE1-CD2 4.01Å; F219-F223 HydrophobicContact CE1-CG 4.18Å; F219-F223 HydrophobicContact CE2-CD2 4.45Å; F219-F223 AromaticContact CZ-CD2 3.76Å; F219-F223 HydrophobicContact CZ-CD2 3.76Å; F219-F223 HydrophobicContact CZ-CE2 4.24Å; F219-F223 HydrophobicContact CZ-CG 4.4Å; F219-F223 WeakPolarHBondContact O-CB 3.34Å; F219-F223 PolarHBondContact O-N 2.93Å; F219-M234 HydrophobicContact CE2-CE 4.34Å; F219-M234 HydrophobicContact CE2-SD 3.6Å; F219-M234 VanDerWaalsContact CE2-SD 3.6Å; F219-M234 HydrophobicContact CZ-CE 4.45Å; F219-M234 HydrophobicContact CZ-SD 4.21Å; F219-L243 HydrophobicContact CD2-CD1 3.95Å; F219-L243 HydrophobicContact CE2-CD1 3.74Å; F219-L246 HydrophobicContact CB-CD1 4.46Å; F219-L246 HydrophobicContact CD1-CD1 3.78Å; F219-L246 HydrophobicContact CD2-CD1 4.18Å; F219-L246 HydrophobicContact CE1-CB 4.22Å; F219-L246 HydrophobicContact CE1-CD1 4.03Å; F219-L246 HydrophobicContact CE2-CD1 4.38Å; F219-L246 HydrophobicContact CG-CD1 3.88Å; F219-L246 HydrophobicContact CZ-CB 4.14Å; F219-L246 HydrophobicContact CZ-CD1 4.32Å; F219-L250 HydrophobicContact CE1-CD1 3.96Å; F219-L250 HydrophobicContact CZ-CD1 3.62Å |
| 220 | Y | 98.4 | Very high | 97.8 | Very high | 50 Ų | 50 | 45.4 Ų | 45.4 | 20% | 0.196 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -57.4 | -48.7 | -178.6 | 178.8 | -87.9 | 0 | 0 | 0 | 111.5 | L130 R131 K132 P133 E216 V217 L218 H224 | L130-Y220 HydrophobicContact CB-CD2 4.17Å; L130-Y220 HydrophobicContact CB-CE2 4.26Å; R131-Y220 WeakPolarHBondContact O-CD2 3.02Å; K132-Y220 HydrophobicContact CB-CE1 4.49Å; K132-Y220 HydrophobicContact CB-CE2 4.03Å; K132-Y220 HydrophobicContact CG-CE1 4.03Å; K132-Y220 HydrophobicContact CG-CE2 4.39Å; P133-Y220 VanDerWaalsContact CD-CD2 3.44Å; P133-Y220 VanDerWaalsContact CD-CG 3.41Å; P133-Y220 HydrophobicContact CG-CG 4.11Å; E216-Y220 VanDerWaalsContact O-CB 3.22Å; E216-Y220 WeakPolarHBondContact O-CB 3.46Å; E216-Y220 PolarHBondContact O-N 3.37Å; V217-Y220 PolarHBondContact O-N 3.49Å; L218-Y220 PolarHBondContact O-N 3Å; Y220-H224 AromaticContact CD1-ND1 3.87Å; Y220-H224 AromaticContact CD2-CE1 3.43Å; Y220-H224 VanDerWaalsContact CD2-CE1 3.43Å; Y220-H224 WeakPolarHBondContact CD2-CE1 3.43Å; Y220-H224 AromaticContact CD2-ND1 3.75Å; Y220-H224 AromaticContact CE1-CE1 3.83Å; Y220-H224 AromaticContact CE1-ND1 3.77Å; Y220-H224 AromaticContact CE2-CE1 3.01Å; Y220-H224 WeakPolarHBondContact CE2-CE1 3.34Å; Y220-H224 AromaticContact CE2-ND1 3.67Å; Y220-H224 AromaticContact CE2-NE2 3.69Å; Y220-H224 AromaticContact CG-ND1 3.85Å; Y220-H224 AromaticContact CZ-CE1 3.23Å; Y220-H224 AromaticContact CZ-ND1 3.67Å; Y220-H224 AromaticContact CZ-NE2 3.58Å; Y220-H224 WeakPolarHBondContact O-CB 3.03Å; Y220-H224 PolarHBondContact O-N 3.15Å; Y220-H224 VanDerWaalsContact O-N 3.1Å; Y220-H224 PolarHBondContact O-ND1 2.83Å |
| 221 | Q | 98.2 | Very high | 97.6 | Very high | 73 Ų | 73 | 45.7 Ų | 45.7 | 34% | 0.341 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -67.9 | -39.1 | -177.1 | -70.5 | -165.5 | 32.8 | 0 | 0 | 113.3 | L180 V217 L218 F219 | L180-Q221 HydrophobicContact CD1-CB 3.56Å; V217-Q221 HydrophobicContact CG1-CG 4.43Å; V217-Q221 WeakPolarHBondContact O-CG 3.32Å; V217-Q221 PolarHBondContact O-N 3.08Å; L218-Q221 PolarHBondContact O-N 2.98Å; F219-Q221 PolarHBondContact O-N 2.64Å |
| 222 | L | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -68.1 | -48 | 176 | -71.6 | 167.3 | 0 | 0 | 0 | 110.9 | T178 L180 G193 L195 L204 L218 F219 H224 K225 | T178-L222 HydrophobicContact CG2-CD2 4.2Å; T178-L222 VanDerWaalsContact O-CD2 3.26Å; T178-L222 WeakPolarHBondContact O-CD2 3.47Å; L180-L222 HydrophobicContact CB-CD2 4.35Å; L180-L222 HydrophobicContact CD1-CD2 3.93Å; L180-L222 HydrophobicContact CD1-CG 3.96Å; L180-L222 HydrophobicContact CG-CD2 3.76Å; L180-L222 HydrophobicContact CG-CG 4.23Å; G193-L222 WeakPolarHBondContact O-CD1 3.27Å; L195-L222 HydrophobicContact CB-CB 4.31Å; L195-L222 HydrophobicContact CB-CD2 3.98Å; L195-L222 WeakPolarHBondContact CD2-O 3.4Å; L204-L222 HydrophobicContact CD1-CB 4.1Å; L204-L222 HydrophobicContact CD1-CD1 4.49Å; L218-L222 WeakPolarHBondContact O-CB 3.26Å; L218-L222 VanDerWaalsContact O-CG 3.3Å; L218-L222 WeakPolarHBondContact O-CG 3.48Å; L218-L222 PolarHBondContact O-N 2.92Å; F219-L222 PolarHBondContact O-N 2.85Å; L222-H224 PolarHBondContact O-N 2.86Å; L222-K225 VanDerWaalsContact O-CB 3.26Å; L222-K225 WeakPolarHBondContact O-CB 3.21Å; L222-K225 WeakPolarHBondContact O-CG 3.06Å; L222-K225 PolarHBondContact O-N 3.03Å |
| 223 | F | 97.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -62.6 | -32.4 | -177.9 | -157.6 | -82.2 | 0 | 0 | 0 | 112.4 | A125 C127 L130 F219 K225 L226 I232 M234 L250 | A125-F223 HydrophobicContact CB-CE1 3.95Å; A125-F223 HydrophobicContact CB-CZ 3.96Å; C127-F223 HydrophobicContact CB-CD1 3.93Å; C127-F223 HydrophobicContact CB-CE1 4.09Å; L130-F223 HydrophobicContact CD1-CB 3.92Å; L130-F223 HydrophobicContact CD1-CD1 3.55Å; L130-F223 HydrophobicContact CD1-CE1 4.27Å; L130-F223 HydrophobicContact CD1-CG 3.82Å; F219-F223 HydrophobicContact CD1-CB 4.4Å; F219-F223 HydrophobicContact CE1-CB 4.18Å; F219-F223 HydrophobicContact CE1-CD2 4.01Å; F219-F223 HydrophobicContact CE1-CG 4.18Å; F219-F223 HydrophobicContact CE2-CD2 4.45Å; F219-F223 AromaticContact CZ-CD2 3.76Å; F219-F223 HydrophobicContact CZ-CD2 3.76Å; F219-F223 HydrophobicContact CZ-CE2 4.24Å; F219-F223 HydrophobicContact CZ-CG 4.4Å; F219-F223 WeakPolarHBondContact O-CB 3.34Å; F219-F223 PolarHBondContact O-N 2.93Å; F223-K225 PolarHBondContact O-N 3.35Å; F223-L226 HydrophobicContact CD2-CD1 4.17Å; F223-L226 HydrophobicContact CE2-CD1 4.23Å; F223-L226 HydrophobicContact CG-CD1 4.36Å; F223-L226 HydrophobicContact CZ-CD1 4.46Å; F223-L226 WeakPolarHBondContact O-CB 3.24Å; F223-L226 PolarHBondContact O-N 3.1Å; F223-L226 VanDerWaalsContact O-N 3.1Å; F223-I232 HydrophobicContact CE2-CG1 4.21Å; F223-I232 HydrophobicContact CE2-CG2 4.06Å; F223-I232 HydrophobicContact CZ-CG2 4.23Å; F223-M234 HydrophobicContact CE2-CE 4.46Å; F223-L250 HydrophobicContact CD1-CD2 4.2Å; F223-L250 HydrophobicContact CD2-CD1 4.09Å; F223-L250 HydrophobicContact CE1-CD1 4.06Å; F223-L250 HydrophobicContact CE1-CD2 3.43Å; F223-L250 VanDerWaalsContact CE1-CD2 3.43Å; F223-L250 HydrophobicContact CE1-CG 4.38Å; F223-L250 HydrophobicContact CE2-CD1 3.49Å; F223-L250 VanDerWaalsContact CE2-CD1 3.49Å; F223-L250 HydrophobicContact CE2-CD2 4.39Å; F223-L250 HydrophobicContact CZ-CD1 3.47Å; F223-L250 VanDerWaalsContact CZ-CD1 3.47Å; F223-L250 HydrophobicContact CZ-CD2 3.54Å; F223-L250 HydrophobicContact CZ-CG 4.08Å |
| 224 | H | 97.1 | Very high | 96.9 | Very high | 74 Ų | 74 | 37.4 Ų | 37.4 | 34% | 0.343 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -3.8 | 174.8 | -80.4 | 75.5 | 0 | 0 | 0 | 114.6 | Y220 L222 L226 | Y220-H224 AromaticContact CD1-ND1 3.87Å; Y220-H224 AromaticContact CD2-CE1 3.43Å; Y220-H224 VanDerWaalsContact CD2-CE1 3.43Å; Y220-H224 WeakPolarHBondContact CD2-CE1 3.43Å; Y220-H224 AromaticContact CD2-ND1 3.75Å; Y220-H224 AromaticContact CE1-CE1 3.83Å; Y220-H224 AromaticContact CE1-ND1 3.77Å; Y220-H224 AromaticContact CE2-CE1 3.01Å; Y220-H224 WeakPolarHBondContact CE2-CE1 3.34Å; Y220-H224 AromaticContact CE2-ND1 3.67Å; Y220-H224 AromaticContact CE2-NE2 3.69Å; Y220-H224 AromaticContact CG-ND1 3.85Å; Y220-H224 AromaticContact CZ-CE1 3.23Å; Y220-H224 AromaticContact CZ-ND1 3.67Å; Y220-H224 AromaticContact CZ-NE2 3.58Å; Y220-H224 WeakPolarHBondContact O-CB 3.03Å; Y220-H224 PolarHBondContact O-N 3.15Å; Y220-H224 VanDerWaalsContact O-N 3.1Å; Y220-H224 PolarHBondContact O-ND1 2.83Å; L222-H224 PolarHBondContact O-N 2.86Å; H224-L226 VanDerWaalsContact C-N 3.31Å |
| 225 | K | 96.7 | Very high | 96.6 | Very high | 134 Ų | 134 | 37.7 Ų | 37.7 | 58% | 0.583 | 19% | 0.19 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | -16.2 | 168.7 | -55.4 | -58.3 | -179.2 | -177.4 | 0 | 112.6 | L195 L222 F223 | L195-K225 HydrophobicContact CD2-CB 3.97Å; L222-K225 VanDerWaalsContact O-CB 3.26Å; L222-K225 WeakPolarHBondContact O-CB 3.21Å; L222-K225 WeakPolarHBondContact O-CG 3.06Å; L222-K225 PolarHBondContact O-N 3.03Å; F223-K225 PolarHBondContact O-N 3.35Å |
| 226 | L | 97.4 | Very high | 96.4 | Very high | 9 Ų | 9 | 37.7 Ų | 37.7 | 5% | 0.047 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -82.5 | 145.9 | -179.8 | -61.7 | 170.9 | 0 | 0 | 0 | 111.6 | A125 L195 Y202 F223 H224 D230 I232 | A125-L226 HydrophobicContact CB-CB 3.62Å; A125-L226 HydrophobicContact CB-CD1 3.83Å; A125-L226 HydrophobicContact CB-CG 4.34Å; L195-L226 HydrophobicContact CD1-CD1 4.18Å; L195-L226 HydrophobicContact CD1-CD2 4.15Å; L195-L226 HydrophobicContact CD1-CG 4.33Å; L195-L226 HydrophobicContact CD2-CD2 3.8Å; L195-L226 HydrophobicContact CD2-CG 3.95Å; L195-L226 HydrophobicContact CG-CD2 4.45Å; Y202-L226 HydrophobicContact CD1-CD2 3.85Å; Y202-L226 HydrophobicContact CD2-CD2 3.55Å; Y202-L226 HydrophobicContact CE1-CD2 4.25Å; Y202-L226 HydrophobicContact CE2-CD2 3.98Å; Y202-L226 HydrophobicContact CG-CD2 3.47Å; Y202-L226 VanDerWaalsContact CG-CD2 3.47Å; F223-L226 HydrophobicContact CD2-CD1 4.17Å; F223-L226 HydrophobicContact CE2-CD1 4.23Å; F223-L226 HydrophobicContact CG-CD1 4.36Å; F223-L226 HydrophobicContact CZ-CD1 4.46Å; F223-L226 WeakPolarHBondContact O-CB 3.24Å; F223-L226 PolarHBondContact O-N 3.1Å; F223-L226 VanDerWaalsContact O-N 3.1Å; H224-L226 VanDerWaalsContact C-N 3.31Å; L226-D230 HydrophobicContact CB-CB 4.34Å; L226-D230 HydrophobicContact CD2-CB 4.02Å; L226-I232 HydrophobicContact CD1-CB 4.23Å; L226-I232 HydrophobicContact CD1-CD1 4.01Å; L226-I232 HydrophobicContact CD1-CG1 4.24Å |
| 227 | K | 96.6 | Very high | 96.2 | Very high | 146 Ų | 146 | 36.1 Ų | 36.1 | 64% | 0.635 | 18% | 0.183 | S | C | * | . | trans | -87.9 | 158.4 | 168.6 | -60.5 | 171.8 | -175.4 | 171.6 | 0 | 109.7 | S229 D230 | K227-S229 PolarHBondContact O-N 2.91Å; K227-S229 VanDerWaalsContact O-N 3.11Å; K227-D230 WeakPolarHBondContact CB-OD2 3.19Å; K227-D230 PolarHBondContact N-OD2 2.87Å; K227-D230 WeakPolarHBondContact O-CB 3.28Å; K227-D230 PolarHBondContact O-N 3.4Å | ||
| 228 | S | 95.2 | Very high | 96.1 | Very high | 73 Ų | 73 | 37 Ų | 37 | 51% | 0.51 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -24.4 | 175.5 | 58.1 | 0 | 0 | 0 | 0 | 114.4 | A125 D230 | A125-S228 WeakPolarHBondContact O-CA 2.7Å; S228-D230 VanDerWaalsContact C-N 3.34Å |
| 229 | S | 96.1 | Very high | 95.9 | Very high | 78 Ų | 78 | 46.6 Ų | 46.6 | 55% | 0.545 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | -16.5 | 175.2 | 55.8 | 0 | 0 | 0 | 0 | 113.9 | K227 | K227-S229 PolarHBondContact O-N 2.91Å; K227-S229 VanDerWaalsContact O-N 3.11Å |
| 230 | D | 96.9 | Very high | 95.8 | Very high | 28 Ų | 28 | 47.6 Ų | 47.6 | 15% | 0.15 | 23% | 0.233 | C | C | . | . | trans | -78.6 | 134.6 | -174.3 | -62.6 | -25.6 | 0 | 0 | 0 | 109.9 | F124 A125 Y202 L226 K227 S228 | F124-D230 CarbonylContact C-O 3.44Å; F124-D230 WeakPolarHBondContact CA-O 2.92Å; A125-D230 PolarHBondContact N-O 2.78Å; Y202-D230 HydrophobicContact CD2-CB 3.93Å; Y202-D230 HydrophobicContact CE2-CB 3.93Å; L226-D230 HydrophobicContact CB-CB 4.34Å; L226-D230 HydrophobicContact CD2-CB 4.02Å; K227-D230 WeakPolarHBondContact CB-OD2 3.19Å; K227-D230 PolarHBondContact N-OD2 2.87Å; K227-D230 WeakPolarHBondContact O-CB 3.28Å; K227-D230 PolarHBondContact O-N 3.4Å; S228-D230 VanDerWaalsContact C-N 3.34Å | ||
| 231 | H | 95.1 | Very high | 95.8 | Very high | 57 Ų | 57 | 55.6 Ų | 55.6 | 26% | 0.264 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 136.6 | 171.3 | -169.4 | -94.6 | 0 | 0 | 0 | 109.3 | S122 G123 Y201 Y202 | S122-H231 PolarHBondContact OG-CE1 2.98Å; S122-H231 PolarHBondContact OG-NE2 3.13Å; G123-H231 PolarHBondContact N-NE2 3.29Å; G123-H231 CarbonylContact O-C 3.59Å; G123-H231 WeakPolarHBondContact O-CA 3.48Å; G123-H231 PolarHBondContact O-CD2 2.97Å; Y201-H231 CarbonylContact C-O 3.48Å; Y201-H231 VanDerWaalsContact CA-O 3.26Å; Y201-H231 WeakPolarHBondContact CA-O 3.1Å; Y201-H231 WeakPolarHBondContact CB-O 2.82Å; Y202-H231 PolarHBondContact N-O 3.21Å |
| 232 | I | 94.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 141.9 | 180 | -175.1 | 64.8 | 0 | 0 | 0 | 109.6 | S122 G123 L195 Y202 L204 F223 L226 M234 L252 | S122-I232 WeakPolarHBondContact CA-O 3.15Å; S122-I232 WeakPolarHBondContact CB-O 3.35Å; G123-I232 PolarHBondContact N-O 2.81Å; G123-I232 VanDerWaalsContact N-O 3.12Å; G123-I232 WeakPolarHBondContact O-CG2 3.31Å; G123-I232 PolarHBondContact O-N 2.74Å; L195-I232 HydrophobicContact CD1-CD1 3.92Å; Y202-I232 CarbonylContact O-C 3.58Å; Y202-I232 WeakPolarHBondContact O-CA 3.17Å; Y202-I232 WeakPolarHBondContact O-CD1 3.28Å; L204-I232 HydrophobicContact CB-CD1 4.18Å; F223-I232 HydrophobicContact CE2-CG1 4.21Å; F223-I232 HydrophobicContact CE2-CG2 4.06Å; F223-I232 HydrophobicContact CZ-CG2 4.23Å; L226-I232 HydrophobicContact CD1-CB 4.23Å; L226-I232 HydrophobicContact CD1-CD1 4.01Å; L226-I232 HydrophobicContact CD1-CG1 4.24Å; I232-M234 HydrophobicContact CG1-CE 4.37Å; I232-M234 HydrophobicContact CG1-CG 4.08Å; I232-M234 HydrophobicContact CG1-SD 4.39Å; I232-L252 HydrophobicContact CG2-CD1 4.12Å; I232-L252 HydrophobicContact CG2-CD2 3.81Å |
| 233 | C | 92.3 | Very high | 95.8 | Very high | 12 Ų | 12 | 52.5 Ų | 52.5 | 8% | 0.081 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 140.5 | 168.7 | -63.1 | 0 | 0 | 0 | 0 | 109.3 | Y121 Y201 Y202 T203 L204 | Y121-C233 WeakPolarHBondContact O-CA 3.35Å; Y201-C233 HydrophobicContact CD2-CB 3.77Å; Y201-C233 WeakPolarHBondContact CD2-SG 3.25Å; Y201-C233 HydrophobicContact CE2-CB 3.86Å; Y202-C233 PolarHBondContact O-N 3.27Å; T203-C233 WeakPolarHBondContact CA-O 3.41Å; L204-C233 PolarHBondContact N-O 3.34Å |
| 234 | M | 93 | Very high | 95.8 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 121.8 | 179.4 | -66.9 | -178.9 | -73.2 | 0 | 0 | 110.6 | E120 Y121 L204 F219 F223 I232 F236 V247 L252 | E120-M234 CarbonylContact C-O 3.52Å; E120-M234 VanDerWaalsContact CA-O 3.27Å; E120-M234 WeakPolarHBondContact CA-O 3.05Å; Y121-M234 PolarHBondContact N-O 3.18Å; Y121-M234 PolarHBondContact O-N 2.79Å; L204-M234 HydrophobicContact CB-CG 4Å; L204-M234 HydrophobicContact CB-SD 4.13Å; F219-M234 HydrophobicContact CE2-CE 4.34Å; F219-M234 HydrophobicContact CE2-SD 3.6Å; F219-M234 VanDerWaalsContact CE2-SD 3.6Å; F219-M234 HydrophobicContact CZ-CE 4.45Å; F219-M234 HydrophobicContact CZ-SD 4.21Å; F223-M234 HydrophobicContact CE2-CE 4.46Å; I232-M234 HydrophobicContact CG1-CE 4.37Å; I232-M234 HydrophobicContact CG1-CG 4.08Å; I232-M234 HydrophobicContact CG1-SD 4.39Å; M234-F236 HydrophobicContact CB-CD1 4.38Å; M234-V247 HydrophobicContact CE-CG1 3.65Å; M234-L252 HydrophobicContact CE-CD1 3.01Å |
| 235 | L | 92.3 | Very high | 95.8 | Very high | 5 Ų | 5 | 57.2 Ų | 57.2 | 3% | 0.026 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 125.5 | 175 | -178.1 | 69.2 | 0 | 0 | 0 | 109.9 | L118 E120 M281 | L118-L235 HydrophobicContact CB-CD1 3.93Å; E120-L235 HydrophobicContact CB-CD1 4.01Å; L235-M281 HydrophobicContact CD2-CE 3.96Å; L235-M281 HydrophobicContact CG-CE 3.95Å; L235-M281 PolarHBondContact O-N 2.65Å |
| 236 | F | 94.5 | Very high | 95.9 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 162.2 | -178.4 | 59.5 | -88.8 | 0 | 0 | 0 | 113.8 | L118 V119 Y121 M234 A238 N240 L243 V247 Y279 | L118-F236 WeakPolarHBondContact CA-O 3.4Å; V119-F236 HydrophobicContact CG2-CD2 3.93Å; V119-F236 HydrophobicContact CG2-CE1 4.3Å; V119-F236 HydrophobicContact CG2-CE2 3.56Å; V119-F236 HydrophobicContact CG2-CG 4.43Å; V119-F236 HydrophobicContact CG2-CZ 3.77Å; V119-F236 PolarHBondContact N-O 2.83Å; V119-F236 PolarHBondContact O-N 3.48Å; Y121-F236 AromaticContact CD2-CE1 3.72Å; Y121-F236 HydrophobicContact CD2-CE1 3.72Å; Y121-F236 AromaticContact CD2-CZ 3.68Å; Y121-F236 HydrophobicContact CD2-CZ 3.68Å; Y121-F236 HydrophobicContact CE2-CE1 4.44Å; Y121-F236 AromaticContact CE2-CZ 3.95Å; Y121-F236 HydrophobicContact CE2-CZ 3.95Å; Y121-F236 HydrophobicContact CG-CE1 4.4Å; M234-F236 HydrophobicContact CB-CD1 4.38Å; F236-A238 PolarHBondContact O-N 3.1Å; F236-N240 HydrophobicContact CD2-CB 4.25Å; F236-L243 HydrophobicContact CD1-CB 4.23Å; F236-L243 HydrophobicContact CD1-CG 4.44Å; F236-L243 HydrophobicContact CD2-CB 3.59Å; F236-L243 HydrophobicContact CD2-CG 4.34Å; F236-L243 HydrophobicContact CE1-CB 4.23Å; F236-L243 HydrophobicContact CE2-CB 3.59Å; F236-L243 HydrophobicContact CG-CB 3.94Å; F236-L243 HydrophobicContact CG-CG 4.23Å; F236-L243 HydrophobicContact CZ-CB 3.93Å; F236-V247 HydrophobicContact CE1-CG1 3.8Å; F236-V247 HydrophobicContact CE1-CG2 4.46Å; F236-V247 HydrophobicContact CZ-CG1 4.05Å; F236-V247 HydrophobicContact CZ-CG2 3.97Å; F236-Y279 WeakPolarHBondContact CB-O 3.45Å |
| 237 | P | 94.3 | Very high | 95.9 | Very high | 5 Ų | 5 | 50.6 Ų | 50.6 | 3% | 0.032 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -55.6 | 125.8 | 172.1 | -30 | 38.7 | 0 | 0 | 0 | 113.2 | E116 L118 R239 N240 M275 V278 | E116-P237 HydrophobicContact CG-CB 4.28Å; E116-P237 WeakPolarHBondContact OE1-CB 3.34Å; L118-P237 HydrophobicContact CD2-CG 4.43Å; P237-R239 PolarHBondContact O-N 3.15Å; P237-N240 VanDerWaalsContact O-CB 3.3Å; P237-N240 WeakPolarHBondContact O-CB 3.32Å; P237-N240 PolarHBondContact O-N 2.92Å; P237-M275 HydrophobicContact CG-CE 4.16Å; P237-V278 HydrophobicContact CG-CG1 4.31Å |
| 238 | A | 95.3 | Very high | 95.9 | Very high | 33 Ų | 33 | 47.6 Ų | 47.6 | 27% | 0.273 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60 | -16.7 | -178 | 0 | 0 | 0 | 0 | 0 | 114.3 | K117 V119 F236 | K117-A238 HydrophobicContact CB-CB 4.08Å; K117-A238 HydrophobicContact CD-CB 4.11Å; K117-A238 HydrophobicContact CG-CB 3.99Å; K117-A238 VanDerWaalsContact O-CB 3.27Å; K117-A238 WeakPolarHBondContact O-CB 3.42Å; K117-A238 PolarHBondContact O-N 3.04Å; V119-A238 HydrophobicContact CG1-CB 3.83Å; V119-A238 HydrophobicContact CG2-CB 4.15Å; F236-A238 PolarHBondContact O-N 3.1Å |
| 239 | R | 95.2 | Very high | 96 | Very high | 200 Ų | 200 | 47.7 Ų | 47.7 | 76% | 0.755 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.8 | -9.2 | 176.9 | -67.7 | 178.7 | 174.4 | 154.1 | -2.1 | 113.4 | P237 R241 | P237-R239 PolarHBondContact O-N 3.15Å; R239-R241 PolarHBondContact O-N 3.22Å |
| 240 | N | 96.9 | Very high | 96.1 | Very high | 22 Ų | 22 | 44 Ų | 44 | 12% | 0.118 | 20% | 0.202 | C | C | . | . | trans | -71.2 | 97.8 | -180 | -169.7 | -51.9 | 0 | 0 | 0 | 110.4 | F236 P237 L242 L243 T244 V278 Y279 | F236-N240 HydrophobicContact CD2-CB 4.25Å; P237-N240 VanDerWaalsContact O-CB 3.3Å; P237-N240 WeakPolarHBondContact O-CB 3.32Å; P237-N240 PolarHBondContact O-N 2.92Å; N240-L242 VanDerWaalsContact C-N 3.32Å; N240-L242 PolarHBondContact O-N 2.99Å; N240-L242 PolarHBondContact OD1-N 3.34Å; N240-L243 HydrophobicContact CB-CB 4.4Å; N240-L243 PolarHBondContact O-N 3.09Å; N240-L243 PolarHBondContact OD1-N 3.39Å; N240-T244 PolarHBondContact O-N 3.35Å; N240-T244 PolarHBondContact O-OG1 3.03Å; N240-V278 PolarHBondContact ND2-O 3.37Å; N240-Y279 WeakPolarHBondContact ND2-CD1 3.44Å | ||
| 241 | R | 97.8 | Very high | 96.1 | Very high | 218 Ų | 218 | 48.3 Ų | 48.3 | 82% | 0.823 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -64.7 | -35.4 | -175.2 | -66.8 | -177.7 | 175.3 | -179.6 | -1.5 | 112.7 | R239 R245 | R239-R241 PolarHBondContact O-N 3.22Å; R241-R245 WeakPolarHBondContact O-CB 3.03Å; R241-R245 PolarHBondContact O-N 3.05Å; R241-R245 VanDerWaalsContact O-N 3.08Å |
| 242 | L | 98.2 | Very high | 96.2 | Very high | 7 Ų | 7 | 46.2 Ų | 46.2 | 4% | 0.037 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -61.6 | -52.7 | 177.3 | 176.2 | 62.7 | 0 | 0 | 0 | 110.1 | D212 A215 E216 N240 R245 L246 Y279 | D212-L242 HydrophobicContact CB-CD2 4.16Å; D212-L242 VanDerWaalsContact O-CD2 3.32Å; D212-L242 WeakPolarHBondContact O-CD2 3.19Å; A215-L242 HydrophobicContact CB-CD2 3.78Å; E216-L242 HydrophobicContact CB-CD1 4.19Å; E216-L242 HydrophobicContact CB-CD2 4.09Å; E216-L242 HydrophobicContact CG-CD1 4.18Å; N240-L242 VanDerWaalsContact C-N 3.32Å; N240-L242 PolarHBondContact O-N 2.99Å; N240-L242 PolarHBondContact OD1-N 3.34Å; L242-R245 WeakPolarHBondContact O-CB 3.2Å; L242-R245 PolarHBondContact O-N 3.31Å; L242-L246 HydrophobicContact CD1-CD1 3.9Å; L242-L246 HydrophobicContact CD1-CG 4.15Å; L242-L246 HydrophobicContact CG-CD1 3.88Å; L242-L246 HydrophobicContact CG-CG 4.46Å; L242-L246 WeakPolarHBondContact O-CG 3.43Å; L242-L246 PolarHBondContact O-N 2.82Å; L242-Y279 HydrophobicContact CB-CE1 4.39Å; L242-Y279 HydrophobicContact CD2-CD1 3.93Å; L242-Y279 HydrophobicContact CD2-CE1 3.74Å |
| 243 | L | 97.8 | Very high | 96.3 | Very high | 1 Ų | 1 | 55.7 Ų | 55.7 | 1% | 0.005 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -66.7 | -42.3 | -178 | -89.8 | -63.2 | 0 | 0 | 0 | 111.7 | F219 F236 N240 R245 L246 V247 Y279 | F219-L243 HydrophobicContact CD2-CD1 3.95Å; F219-L243 HydrophobicContact CE2-CD1 3.74Å; F236-L243 HydrophobicContact CD1-CB 4.23Å; F236-L243 HydrophobicContact CD1-CG 4.44Å; F236-L243 HydrophobicContact CD2-CB 3.59Å; F236-L243 HydrophobicContact CD2-CG 4.34Å; F236-L243 HydrophobicContact CE1-CB 4.23Å; F236-L243 HydrophobicContact CE2-CB 3.59Å; F236-L243 HydrophobicContact CG-CB 3.94Å; F236-L243 HydrophobicContact CG-CG 4.23Å; F236-L243 HydrophobicContact CZ-CB 3.93Å; N240-L243 HydrophobicContact CB-CB 4.4Å; N240-L243 PolarHBondContact O-N 3.09Å; N240-L243 PolarHBondContact OD1-N 3.39Å; L243-R245 PolarHBondContact O-N 3.42Å; L243-L246 PolarHBondContact O-N 3.33Å; L243-V247 WeakPolarHBondContact O-CG1 3.37Å; L243-V247 WeakPolarHBondContact O-CG2 3.1Å; L243-V247 PolarHBondContact O-N 3.15Å; L243-Y279 HydrophobicContact CD2-CD1 3.6Å; L243-Y279 HydrophobicContact CD2-CG 4.16Å; L243-Y279 WeakPolarHBondContact CG-O 3.16Å |
| 244 | T | 98.1 | Very high | 96.5 | Very high | 58 Ų | 58 | 59.1 Ų | 59.1 | 36% | 0.356 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -54.1 | -42.1 | 173.8 | -56.9 | 0 | 0 | 0 | 0 | 111.8 | N240 S248 | N240-T244 PolarHBondContact O-N 3.35Å; N240-T244 PolarHBondContact O-OG1 3.03Å; T244-S248 VanDerWaalsContact O-CB 3.24Å; T244-S248 WeakPolarHBondContact O-CB 3.41Å; T244-S248 PolarHBondContact O-N 2.88Å |
| 245 | R | 98 | Very high | 96.4 | Very high | 115 Ų | 115 | 62.4 Ų | 62.4 | 43% | 0.434 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -65.8 | -44.6 | 175.9 | -177.8 | -176.6 | 75.9 | 177.9 | 2.8 | 112 | E216 R241 L242 L243 R249 | E216-R245 VanDerWaalsContact CD-NH2 3.28Å; E216-R245 IonicContact OE1-CZ 3.22Å; E216-R245 IonicContact OE1-NH2 3.6Å; E216-R245 PolarHBondContact OE1-NH2 2.98Å; E216-R245 IonicContact OE2-NH2 3.65Å; E216-R245 PolarHBondContact OE2-NH2 2.92Å; R241-R245 WeakPolarHBondContact O-CB 3.03Å; R241-R245 PolarHBondContact O-N 3.05Å; R241-R245 VanDerWaalsContact O-N 3.08Å; L242-R245 WeakPolarHBondContact O-CB 3.2Å; L242-R245 PolarHBondContact O-N 3.31Å; L243-R245 PolarHBondContact O-N 3.42Å; R245-R249 WeakPolarHBondContact O-CB 3.44Å; R245-R249 PolarHBondContact O-N 2.87Å |
| 246 | L | 98.2 | Very high | 96.1 | Very high | 4 Ų | 4 | 64.4 Ų | 64.4 | 2% | 0.021 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -68.3 | -46.7 | -177.1 | -68.6 | 173.9 | 0 | 0 | 0 | 112 | L130 F219 L242 L243 S248 R249 L250 | L130-L246 HydrophobicContact CD2-CD2 4.13Å; F219-L246 HydrophobicContact CB-CD1 4.46Å; F219-L246 HydrophobicContact CD1-CD1 3.78Å; F219-L246 HydrophobicContact CD2-CD1 4.18Å; F219-L246 HydrophobicContact CE1-CB 4.22Å; F219-L246 HydrophobicContact CE1-CD1 4.03Å; F219-L246 HydrophobicContact CE2-CD1 4.38Å; F219-L246 HydrophobicContact CG-CD1 3.88Å; F219-L246 HydrophobicContact CZ-CB 4.14Å; F219-L246 HydrophobicContact CZ-CD1 4.32Å; L242-L246 HydrophobicContact CD1-CD1 3.9Å; L242-L246 HydrophobicContact CD1-CG 4.15Å; L242-L246 HydrophobicContact CG-CD1 3.88Å; L242-L246 HydrophobicContact CG-CG 4.46Å; L242-L246 WeakPolarHBondContact O-CG 3.43Å; L242-L246 PolarHBondContact O-N 2.82Å; L243-L246 PolarHBondContact O-N 3.33Å; L246-S248 VanDerWaalsContact C-N 3.32Å; L246-S248 PolarHBondContact O-N 3.08Å; L246-R249 WeakPolarHBondContact O-CB 3.21Å; L246-R249 PolarHBondContact O-N 2.85Å; L246-L250 WeakPolarHBondContact O-CB 3Å; L246-L250 WeakPolarHBondContact O-CG 3.33Å; L246-L250 PolarHBondContact O-N 2.8Å |
| 247 | V | 97.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -66.4 | -35.2 | 179 | -55.6 | 0 | 0 | 0 | 0 | 112.2 | Y121 M234 F236 L243 L250 Q251 L252 | Y121-V247 HydrophobicContact CD1-CB 4.04Å; Y121-V247 HydrophobicContact CD1-CG2 3.63Å; Y121-V247 HydrophobicContact CD2-CG2 4Å; Y121-V247 HydrophobicContact CE1-CG2 3.82Å; Y121-V247 HydrophobicContact CE2-CG2 4.16Å; Y121-V247 HydrophobicContact CG-CB 4.05Å; Y121-V247 HydrophobicContact CG-CG1 4.41Å; Y121-V247 HydrophobicContact CG-CG2 3.73Å; M234-V247 HydrophobicContact CE-CG1 3.65Å; F236-V247 HydrophobicContact CE1-CG1 3.8Å; F236-V247 HydrophobicContact CE1-CG2 4.46Å; F236-V247 HydrophobicContact CZ-CG1 4.05Å; F236-V247 HydrophobicContact CZ-CG2 3.97Å; L243-V247 WeakPolarHBondContact O-CG1 3.37Å; L243-V247 WeakPolarHBondContact O-CG2 3.1Å; L243-V247 PolarHBondContact O-N 3.15Å; V247-L250 CarbonylContact O-C 3.51Å; V247-L250 PolarHBondContact O-N 3.32Å; V247-Q251 PolarHBondContact O-N 3.19Å; V247-Q251 VanDerWaalsContact O-N 3.1Å; V247-L252 HydrophobicContact CB-CB 4.26Å; V247-L252 HydrophobicContact CB-CD1 4.1Å; V247-L252 HydrophobicContact CG1-CD1 4.1Å; V247-L252 PolarHBondContact O-N 3.45Å |
| 248 | S | 97.1 | Very high | 95.5 | Very high | 84 Ų | 84 | 69.9 Ų | 69.9 | 59% | 0.587 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -64.7 | -44.3 | 173.1 | 175.9 | 0 | 0 | 0 | 0 | 111.5 | T244 L246 L250 Q251 | T244-S248 VanDerWaalsContact O-CB 3.24Å; T244-S248 WeakPolarHBondContact O-CB 3.41Å; T244-S248 PolarHBondContact O-N 2.88Å; L246-S248 VanDerWaalsContact C-N 3.32Å; L246-S248 PolarHBondContact O-N 3.08Å; S248-L250 VanDerWaalsContact C-N 3.3Å; S248-L250 PolarHBondContact O-N 3.25Å; S248-Q251 PolarHBondContact O-N 3.19Å |
| 249 | R | 97.3 | Very high | 95.1 | Very high | 74 Ų | 74 | 70.5 Ų | 70.5 | 28% | 0.279 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -61.3 | -39 | 175.5 | 178.9 | 174.2 | -67.9 | 150.3 | -0.8 | 112.2 | L129 R245 L246 Q251 | L129-R249 HydrophobicContact CB-CG 4.39Å; L129-R249 WeakPolarHBondContact CB-O 3.4Å; L129-R249 VanDerWaalsContact CD1-O 3.23Å; L129-R249 WeakPolarHBondContact CD1-O 3.32Å; L129-R249 WeakPolarHBondContact O-CD 3.44Å; L129-R249 WeakPolarHBondContact O-CG 3.47Å; R245-R249 WeakPolarHBondContact O-CB 3.44Å; R245-R249 PolarHBondContact O-N 2.87Å; L246-R249 WeakPolarHBondContact O-CB 3.21Å; L246-R249 PolarHBondContact O-N 2.85Å; R249-Q251 PolarHBondContact O-N 3.06Å |
| 250 | L | 97.7 | Very high | 94.7 | Very high | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -3.8 | 175.5 | -72.8 | 167.8 | 0 | 0 | 0 | 113.7 | Q126 L130 F219 F223 L246 V247 S248 L252 | Q126-L250 VanDerWaalsContact O-CD2 3.31Å; Q126-L250 WeakPolarHBondContact O-CD2 3.44Å; L130-L250 HydrophobicContact CD1-CD2 4.14Å; L130-L250 HydrophobicContact CD2-CD1 4.06Å; L130-L250 HydrophobicContact CD2-CD2 3.83Å; L130-L250 HydrophobicContact CD2-CG 3.79Å; L130-L250 HydrophobicContact CG-CD2 3.69Å; L130-L250 HydrophobicContact CG-CG 4.24Å; F219-L250 HydrophobicContact CE1-CD1 3.96Å; F219-L250 HydrophobicContact CZ-CD1 3.62Å; F223-L250 HydrophobicContact CD1-CD2 4.2Å; F223-L250 HydrophobicContact CD2-CD1 4.09Å; F223-L250 HydrophobicContact CE1-CD1 4.06Å; F223-L250 HydrophobicContact CE1-CD2 3.43Å; F223-L250 VanDerWaalsContact CE1-CD2 3.43Å; F223-L250 HydrophobicContact CE1-CG 4.38Å; F223-L250 HydrophobicContact CE2-CD1 3.49Å; F223-L250 VanDerWaalsContact CE2-CD1 3.49Å; F223-L250 HydrophobicContact CE2-CD2 4.39Å; F223-L250 HydrophobicContact CZ-CD1 3.47Å; F223-L250 VanDerWaalsContact CZ-CD1 3.47Å; F223-L250 HydrophobicContact CZ-CD2 3.54Å; F223-L250 HydrophobicContact CZ-CG 4.08Å; L246-L250 WeakPolarHBondContact O-CB 3Å; L246-L250 WeakPolarHBondContact O-CG 3.33Å; L246-L250 PolarHBondContact O-N 2.8Å; V247-L250 CarbonylContact O-C 3.51Å; V247-L250 PolarHBondContact O-N 3.32Å; S248-L250 VanDerWaalsContact C-N 3.3Å; S248-L250 PolarHBondContact O-N 3.25Å; L250-L252 HydrophobicContact CB-CD1 4.19Å; L250-L252 HydrophobicContact CB-CD2 4.39Å; L250-L252 HydrophobicContact CB-CG 3.8Å; L250-L252 HydrophobicContact CD1-CD1 4.22Å; L250-L252 PolarHBondContact O-N 3.02Å |
| 251 | Q | 97.1 | Very high | 94.2 | Very high | 120 Ų | 120 | 60.7 Ų | 60.7 | 56% | 0.561 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57 | 30.4 | -177.4 | -50.7 | 178.4 | 12.5 | 0 | 0 | 113.7 | L129 V247 S248 R249 | L129-Q251 HydrophobicContact CD1-CG 4Å; V247-Q251 PolarHBondContact O-N 3.19Å; V247-Q251 VanDerWaalsContact O-N 3.1Å; S248-Q251 PolarHBondContact O-N 3.19Å; R249-Q251 PolarHBondContact O-N 3.06Å |
| 252 | L | 97.5 | Very high | 93.7 | Very high | 12 Ų | 12 | 50.4 Ų | 50.4 | 6% | 0.063 | 25% | 0.245 | C | C | . | . | trans | -70.9 | 151.6 | 172.8 | -54.2 | 178 | 0 | 0 | 0 | 109.5 | Y121 I232 M234 V247 L250 | Y121-L252 HydrophobicContact CD1-CB 4.21Å; Y121-L252 WeakPolarHBondContact CD1-O 3.11Å; I232-L252 HydrophobicContact CG2-CD1 4.12Å; I232-L252 HydrophobicContact CG2-CD2 3.81Å; M234-L252 HydrophobicContact CE-CD1 3.01Å; V247-L252 HydrophobicContact CB-CB 4.26Å; V247-L252 HydrophobicContact CB-CD1 4.1Å; V247-L252 HydrophobicContact CG1-CD1 4.1Å; V247-L252 PolarHBondContact O-N 3.45Å; L250-L252 HydrophobicContact CB-CD1 4.19Å; L250-L252 HydrophobicContact CB-CD2 4.39Å; L250-L252 HydrophobicContact CB-CG 3.8Å; L250-L252 HydrophobicContact CD1-CD1 4.22Å; L250-L252 PolarHBondContact O-N 3.02Å | ||
| 253 | R | 97.1 | Very high | 93.3 | Very high | 200 Ų | 200 | 51.8 Ų | 51.8 | 76% | 0.755 | 25% | 0.252 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 138.6 | -176.5 | -62.6 | -174.2 | 179 | -153.6 | 0 | 110.1 | Y121 S122 T255 | Y121-R253 CarbonylContact C-O 3.54Å; Y121-R253 VanDerWaalsContact CA-O 3.26Å; Y121-R253 WeakPolarHBondContact CA-O 3.22Å; S122-R253 PolarHBondContact N-O 3.25Å; S122-R253 PolarHBondContact O-N 3.25Å; R253-T255 PolarHBondContact O-N 3.25Å |
| 254 | L | 95.4 | Very high | 92.8 | Very high | 83 Ų | 83 | 54.5 Ų | 54.5 | 44% | 0.435 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64 | 118.2 | 170 | 178.9 | 70.2 | 0 | 0 | 0 | 108.6 | V119 E120 Y121 I257 | V119-L254 HydrophobicContact CB-CD1 3.73Å; V119-L254 HydrophobicContact CG1-CD1 3.89Å; E120-L254 WeakPolarHBondContact O-CA 3.24Å; E120-L254 WeakPolarHBondContact O-CD1 3.34Å; Y121-L254 HydrophobicContact CD1-CB 4.44Å; Y121-L254 HydrophobicContact CD2-CD1 4.18Å; Y121-L254 HydrophobicContact CE1-CB 3.96Å; Y121-L254 HydrophobicContact CE2-CB 4.33Å; Y121-L254 HydrophobicContact CE2-CD1 3.71Å; L254-I257 HydrophobicContact CD1-CG1 4.26Å; L254-I257 HydrophobicContact CD2-CD1 4.21Å; L254-I257 HydrophobicContact CD2-CG1 4.32Å |
| 255 | T | 91 | Very high | 92.4 | Very high | 70 Ų | 70 | 53.7 Ų | 53.7 | 43% | 0.429 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | -43.3 | -180 | 45.2 | 0 | 0 | 0 | 0 | 111.9 | E120 S122 R253 | E120-T255 WeakPolarHBondContact CG-OG1 3.14Å; E120-T255 PolarHBondContact O-N 2.98Å; E120-T255 PolarHBondContact O-OG1 3.49Å; E120-T255 PolarHBondContact OE1-OG1 3.28Å; S122-T255 WeakPolarHBondContact OG-CG2 3.09Å; R253-T255 PolarHBondContact O-N 3.25Å |
| 256 | T | 86.7 | Confident | 92 | Very high | 47 Ų | 47 | 48.2 Ų | 48.2 | 29% | 0.288 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 146.6 | -170 | -47.9 | 0 | 0 | 0 | 0 | 110.8 | E120 E258 | E120-T256 PolarHBondContact N-O 2.85Å; E120-T256 WeakPolarHBondContact OE1-CB 3.42Å; E120-T256 PolarHBondContact OE1-OG1 2.85Å; T256-E258 HydrophobicContact CG2-CG 4.06Å |
| 257 | I | 88.9 | Confident | 91.5 | Very high | 72 Ų | 72 | 54.1 Ų | 54.1 | 37% | 0.369 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 126.9 | 168.5 | -62.5 | 173.9 | 0 | 0 | 0 | 107.7 | K117 L118 V119 L254 | K117-I257 HydrophobicContact CD-CG2 4.32Å; K117-I257 VanDerWaalsContact CE-CG2 3.45Å; K117-I257 HydrophobicContact CG-CG2 3.99Å; L118-I257 WeakPolarHBondContact O-CA 3.45Å; V119-I257 HydrophobicContact CG1-CG1 4.47Å; L254-I257 HydrophobicContact CD1-CG1 4.26Å; L254-I257 HydrophobicContact CD2-CD1 4.21Å; L254-I257 HydrophobicContact CD2-CG1 4.32Å |
| 258 | E | 86.7 | Confident | 91.1 | Very high | 48 Ų | 48 | 59.2 Ų | 59.2 | 22% | 0.224 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 156.4 | 173.4 | -56.5 | -171.4 | 151.2 | 0 | 0 | 110.1 | N100 V101 L118 T256 | N100-E258 HydrophobicContact CB-CB 4.28Å; N100-E258 WeakPolarHBondContact CB-OE2 3.49Å; N100-E258 PolarHBondContact ND2-OE2 3.24Å; V101-E258 CarbonylContact O-C 3.47Å; V101-E258 WeakPolarHBondContact O-CA 3.43Å; L118-E258 HydrophobicContact CB-CB 4.25Å; L118-E258 HydrophobicContact CD1-CB 4.37Å; L118-E258 PolarHBondContact N-O 2.91Å; L118-E258 PolarHBondContact O-N 2.68Å; L118-E258 VanDerWaalsContact O-N 3.09Å; T256-E258 HydrophobicContact CG2-CG 4.06Å |
| 259 | L | 86.8 | Confident | 90.6 | Very high | 45 Ų | 45 | 55.3 Ų | 55.3 | 24% | 0.236 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 128.5 | 168.5 | -61.3 | -169.5 | 0 | 0 | 0 | 109.1 | N100 V101 I106 W114 E116 K117 T261 | N100-L259 WeakPolarHBondContact CA-O 3.48Å; V101-L259 HydrophobicContact CG2-CB 4.33Å; V101-L259 PolarHBondContact N-O 3.41Å; V101-L259 PolarHBondContact O-N 3.48Å; I106-L259 HydrophobicContact CD1-CB 4.19Å; I106-L259 HydrophobicContact CD1-CD1 3.34Å; I106-L259 HydrophobicContact CD1-CG 3.78Å; I106-L259 HydrophobicContact CG1-CD1 4.45Å; W114-L259 HydrophobicContact CE3-CB 4.23Å; W114-L259 HydrophobicContact CE3-CD1 3.54Å; W114-L259 HydrophobicContact CZ3-CB 4.2Å; W114-L259 HydrophobicContact CZ3-CD1 3.52Å; W114-L259 HydrophobicContact CZ3-CG 4.48Å; E116-L259 WeakPolarHBondContact O-CA 3.31Å; K117-L259 HydrophobicContact CB-CD2 3.9Å; K117-L259 HydrophobicContact CG-CD2 4.04Å; L259-T261 HydrophobicContact CB-CG2 4.1Å; L259-T261 PolarHBondContact O-N 3.35Å |
| 260 | R | 87.1 | Confident | 90.1 | Very high | 16 Ų | 16 | 53.4 Ų | 53.4 | 6% | 0.06 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 119.3 | 169.7 | -174.6 | 171.4 | 60.9 | 103 | -6.8 | 108.5 | A115 E116 L118 Y262 | A115-R260 PolarHBondContact N-O 2.84Å; E116-R260 HydrophobicContact CB-CB 4.26Å; E116-R260 PolarHBondContact O-N 2.9Å; E116-R260 IonicContact OE2-CZ 3.81Å; E116-R260 IonicContact OE2-NE 2.7Å; E116-R260 IonicContact OE2-NH2 2.99Å; E116-R260 PolarHBondContact OE2-NH2 3.01Å; L118-R260 HydrophobicContact CD1-CB 4.02Å; L118-R260 HydrophobicContact CG-CB 4.28Å; R260-Y262 WeakPolarHBondContact CD-OH 3.5Å; R260-Y262 HydrophobicContact CG-CE2 3.74Å; R260-Y262 WeakPolarHBondContact CG-OH 3.29Å; R260-Y262 VanDerWaalsContact NH1-CE2 3.35Å; R260-Y262 PolarHBondContact NH1-OH 3.14Å |
| 261 | T | 86.9 | Confident | 89.5 | Confident | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 151.7 | -168.8 | 54.6 | 0 | 0 | 0 | 0 | 112.6 | G99 V101 F111 I113 W114 L259 | G99-T261 PolarHBondContact N-O 3.25Å; G99-T261 VanDerWaalsContact N-O 3.07Å; G99-T261 PolarHBondContact O-N 2.8Å; G99-T261 VanDerWaalsContact O-O 3.12Å; G99-T261 PolarHBondContact O-OG1 3.21Å; V101-T261 HydrophobicContact CG2-CG2 3.65Å; F111-T261 HydrophobicContact CB-CG2 4.22Å; F111-T261 WeakPolarHBondContact CD1-OG1 3.46Å; F111-T261 HydrophobicContact CD2-CG2 4.39Å; F111-T261 VanDerWaalsContact CD2-OG1 3.25Å; F111-T261 WeakPolarHBondContact CD2-OG1 3.24Å; F111-T261 WeakPolarHBondContact CE2-OG1 3.46Å; F111-T261 HydrophobicContact CG-CG2 4.25Å; F111-T261 WeakPolarHBondContact CG-OG1 3.31Å; F111-T261 WeakPolarHBondContact CZ-OG1 3.41Å; I113-T261 WeakPolarHBondContact O-CA 3.02Å; W114-T261 HydrophobicContact CD2-CG2 4.45Å; W114-T261 HydrophobicContact CE3-CG2 3.67Å; W114-T261 HydrophobicContact CH2-CG2 4.42Å; W114-T261 HydrophobicContact CZ3-CG2 3.62Å; L259-T261 HydrophobicContact CB-CG2 4.1Å; L259-T261 PolarHBondContact O-N 3.35Å |
| 262 | Y | 87.3 | Confident | 89.1 | Confident | 2 Ų | 2 | 61.9 Ų | 61.9 | 1% | 0.008 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 150.5 | -171.7 | -61.9 | -77.7 | 0 | 0 | 0 | 112.1 | L98 D112 I113 A115 R260 I270 | L98-Y262 HydrophobicContact CB-CD1 3.38Å; L98-Y262 HydrophobicContact CB-CE1 3.6Å; L98-Y262 HydrophobicContact CB-CG 4.47Å; L98-Y262 HydrophobicContact CD2-CD1 4.35Å; L98-Y262 HydrophobicContact CD2-CE1 4.04Å; L98-Y262 HydrophobicContact CG-CD1 4.44Å; L98-Y262 HydrophobicContact CG-CE1 4.29Å; D112-Y262 PolarHBondContact N-O 3.15Å; D112-Y262 VanDerWaalsContact OD1-O 3.04Å; I113-Y262 HydrophobicContact CG2-CD2 4.19Å; I113-Y262 PolarHBondContact N-O 3.32Å; I113-Y262 VanDerWaalsContact N-O 3.14Å; I113-Y262 PolarHBondContact O-N 2.81Å; A115-Y262 HydrophobicContact CB-CD2 3.74Å; A115-Y262 HydrophobicContact CB-CE2 3.38Å; R260-Y262 WeakPolarHBondContact CD-OH 3.5Å; R260-Y262 HydrophobicContact CG-CE2 3.74Å; R260-Y262 WeakPolarHBondContact CG-OH 3.29Å; R260-Y262 VanDerWaalsContact NH1-CE2 3.35Å; R260-Y262 PolarHBondContact NH1-OH 3.14Å; Y262-I270 VanDerWaalsContact CB-CD1 3.48Å; Y262-I270 HydrophobicContact CD1-CD1 3.28Å; Y262-I270 HydrophobicContact CD1-CG1 3.48Å; Y262-I270 VanDerWaalsContact CD1-CG1 3.48Å; Y262-I270 HydrophobicContact CD2-CD1 3.58Å; Y262-I270 HydrophobicContact CD2-CG1 4.21Å; Y262-I270 HydrophobicContact CE1-CD1 3.86Å; Y262-I270 HydrophobicContact CE1-CG1 3.55Å; Y262-I270 HydrophobicContact CE2-CD1 4.07Å; Y262-I270 HydrophobicContact CE2-CG1 4.22Å; Y262-I270 HydrophobicContact CE2-CG2 4.35Å; Y262-I270 HydrophobicContact CG-CD1 3.14Å; Y262-I270 HydrophobicContact CG-CG1 3.85Å |
| 263 | Q | 88.4 | Confident | 88.7 | Confident | 37 Ų | 37 | 62.2 Ų | 62.2 | 17% | 0.173 | 30% | 0.298 | C | S | . | . | trans | -87.8 | 146.6 | 160.2 | -69.9 | -174.8 | -30.1 | 0 | 0 | 110.5 | M90 M97 F111 D112 G265 T266 | M90-Q263 HydrophobicContact CE-CG 4.43Å; M97-Q263 WeakPolarHBondContact O-CB 3.45Å; M97-Q263 PolarHBondContact O-N 3.43Å; F111-Q263 HydrophobicContact CD1-CG 4.48Å; D112-Q263 VanDerWaalsContact OD1-C 3.3Å; D112-Q263 VanDerWaalsContact OD1-CA 3.24Å; D112-Q263 WeakPolarHBondContact OD1-CA 3.26Å; Q263-G265 PolarHBondContact O-N 3.11Å; Q263-T266 WeakPolarHBondContact O-CB 3.41Å; Q263-T266 PolarHBondContact O-N 3.04Å; Q263-T266 PolarHBondContact O-OG1 3.4Å | ||
| 264 | T | 88.3 | Confident | 88.6 | Confident | 57 Ų | 57 | 56.8 Ų | 56.8 | 35% | 0.35 | 28% | 0.28 | S | S | . | . | G | 310 helix | trans | -50.9 | -33.2 | 177.8 | -76.5 | 0 | 0 | 0 | 0 | 113.8 | D112 T266 R267 | D112-T264 VanDerWaalsContact CG-OG1 3.23Å; D112-T264 PolarHBondContact OD1-N 2.55Å; D112-T264 PolarHBondContact OD1-OG1 3.41Å; D112-T264 WeakPolarHBondContact OD2-CB 3.12Å; D112-T264 PolarHBondContact OD2-N 3.41Å; D112-T264 PolarHBondContact OD2-OG1 3.29Å; T264-T266 PolarHBondContact O-N 2.9Å; T264-T266 VanDerWaalsContact O-N 3.14Å; T264-R267 WeakPolarHBondContact O-CB 3.47Å; T264-R267 VanDerWaalsContact O-CG 3.25Å; T264-R267 WeakPolarHBondContact O-CG 3.48Å; T264-R267 PolarHBondContact O-N 2.88Å; T264-R267 VanDerWaalsContact O-N 3.14Å; T264-R267 PolarHBondContact OG1-NH2 3.26Å |
| 265 | G | 88.9 | Confident | 88.4 | Confident | 42 Ų | 42 | 54.4 Ų | 54.4 | 43% | 0.433 | 27% | 0.267 | S | S | . | . | G | 310 helix | trans | -62.4 | -17.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q263 F268 | Q263-G265 PolarHBondContact O-N 3.11Å; G265-F268 VanDerWaalsContact O-CD1 3.31Å; G265-F268 WeakPolarHBondContact O-CD1 3.45Å; G265-F268 WeakPolarHBondContact O-CE1 2.98Å |
| 266 | T | 89.4 | Confident | 88.5 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 28% | 0.281 | C | S | . | . | G | 310 helix | trans | -91.4 | -1.6 | 177.9 | 67.9 | 0 | 0 | 0 | 0 | 113.9 | V66 P96 M97 L98 Q263 T264 F268 M269 I270 | V66-T266 HydrophobicContact CG1-CG2 3.59Å; V66-T266 HydrophobicContact CG2-CG2 4.24Å; P96-T266 HydrophobicContact CB-CG2 3.74Å; P96-T266 HydrophobicContact CG-CG2 4.27Å; M97-T266 WeakPolarHBondContact O-CG2 3.2Å; L98-T266 HydrophobicContact CB-CG2 4.44Å; Q263-T266 WeakPolarHBondContact O-CB 3.41Å; Q263-T266 PolarHBondContact O-N 3.04Å; Q263-T266 PolarHBondContact O-OG1 3.4Å; T264-T266 PolarHBondContact O-N 2.9Å; T264-T266 VanDerWaalsContact O-N 3.14Å; T266-F268 PolarHBondContact O-N 2.86Å; T266-F268 VanDerWaalsContact O-N 3.08Å; T266-M269 WeakPolarHBondContact O-CB 3Å; T266-M269 PolarHBondContact O-N 3.11Å; T266-I270 PolarHBondContact O-N 3.36Å; T266-I270 WeakPolarHBondContact OG1-CD1 3.34Å |
| 267 | R | 88.9 | Confident | 89 | Confident | 127 Ų | 127 | 54.4 Ų | 54.4 | 48% | 0.479 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -52.8 | -36 | -174.3 | -82.4 | 179.7 | -174.6 | -173 | 4.8 | 114.4 | I113 T264 M269 I270 R271 | I113-R267 HydrophobicContact CD1-CG 3.66Å; T264-R267 WeakPolarHBondContact O-CB 3.47Å; T264-R267 VanDerWaalsContact O-CG 3.25Å; T264-R267 WeakPolarHBondContact O-CG 3.48Å; T264-R267 PolarHBondContact O-N 2.88Å; T264-R267 VanDerWaalsContact O-N 3.14Å; T264-R267 PolarHBondContact OG1-NH2 3.26Å; R267-M269 VanDerWaalsContact C-N 3.26Å; R267-M269 PolarHBondContact O-N 2.78Å; R267-I270 PolarHBondContact O-N 2.98Å; R267-R271 WeakPolarHBondContact O-CG 3.42Å; R267-R271 PolarHBondContact O-N 2.82Å |
| 268 | F | 88.8 | Confident | 89.3 | Confident | 107 Ų | 107 | 51.1 Ų | 51.1 | 47% | 0.469 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -63.7 | -34.2 | -179.5 | 70.4 | -89.9 | 0 | 0 | 0 | 112 | N64 V66 G265 T266 N272 | N64-F268 HydrophobicContact CB-CE2 4.2Å; V66-F268 HydrophobicContact CG2-CE1 3.93Å; V66-F268 HydrophobicContact CG2-CZ 3.55Å; G265-F268 VanDerWaalsContact O-CD1 3.31Å; G265-F268 WeakPolarHBondContact O-CD1 3.45Å; G265-F268 WeakPolarHBondContact O-CE1 2.98Å; T266-F268 PolarHBondContact O-N 2.86Å; T266-F268 VanDerWaalsContact O-N 3.08Å; F268-N272 PolarHBondContact O-ND2 3.28Å |
| 269 | M | 85.8 | Confident | 89.8 | Confident | 2 Ų | 2 | 49.2 Ų | 49.2 | 1% | 0.01 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -75.3 | -47.4 | 176.4 | -170.9 | -149.1 | -51.8 | 0 | 0 | 110.7 | L62 V66 L98 F162 T266 R267 R271 N272 | L62-M269 HydrophobicContact CD1-CE 3.7Å; L62-M269 HydrophobicContact CD1-SD 4.16Å; V66-M269 HydrophobicContact CB-CE 3.35Å; V66-M269 HydrophobicContact CG1-CE 3.26Å; V66-M269 HydrophobicContact CG2-CE 3.49Å; V66-M269 VanDerWaalsContact CG2-CE 3.49Å; L98-M269 HydrophobicContact CD2-CE 3.4Å; L98-M269 HydrophobicContact CD2-SD 3.56Å; L98-M269 VanDerWaalsContact CD2-SD 3.56Å; F162-M269 HydrophobicContact CD1-CG 4.22Å; F162-M269 HydrophobicContact CD1-SD 4.01Å; F162-M269 HydrophobicContact CE1-SD 4.05Å; T266-M269 WeakPolarHBondContact O-CB 3Å; T266-M269 PolarHBondContact O-N 3.11Å; R267-M269 VanDerWaalsContact C-N 3.26Å; R267-M269 PolarHBondContact O-N 2.78Å; M269-R271 PolarHBondContact O-N 2.99Å; M269-R271 VanDerWaalsContact O-N 3.13Å; M269-N272 PolarHBondContact O-N 2.96Å |
| 270 | I | 86.7 | Confident | 90.2 | Very high | 34 Ų | 34 | 47.1 Ų | 47.1 | 17% | 0.174 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -57.7 | -35.3 | -175.8 | -57 | 164.1 | 0 | 0 | 0 | 111.8 | Y262 T266 R267 N272 L273 | Y262-I270 VanDerWaalsContact CB-CD1 3.48Å; Y262-I270 HydrophobicContact CD1-CD1 3.28Å; Y262-I270 HydrophobicContact CD1-CG1 3.48Å; Y262-I270 VanDerWaalsContact CD1-CG1 3.48Å; Y262-I270 HydrophobicContact CD2-CD1 3.58Å; Y262-I270 HydrophobicContact CD2-CG1 4.21Å; Y262-I270 HydrophobicContact CE1-CD1 3.86Å; Y262-I270 HydrophobicContact CE1-CG1 3.55Å; Y262-I270 HydrophobicContact CE2-CD1 4.07Å; Y262-I270 HydrophobicContact CE2-CG1 4.22Å; Y262-I270 HydrophobicContact CE2-CG2 4.35Å; Y262-I270 HydrophobicContact CG-CD1 3.14Å; Y262-I270 HydrophobicContact CG-CG1 3.85Å; T266-I270 PolarHBondContact O-N 3.36Å; T266-I270 WeakPolarHBondContact OG1-CD1 3.34Å; R267-I270 PolarHBondContact O-N 2.98Å; I270-N272 PolarHBondContact O-N 3.46Å; I270-L273 HydrophobicContact CG2-CD1 4.4Å; I270-L273 WeakPolarHBondContact O-CB 3.11Å; I270-L273 PolarHBondContact O-N 3.02Å; I270-L273 VanDerWaalsContact O-N 3.15Å |
| 271 | R | 86.8 | Confident | 90.2 | Very high | 208 Ų | 208 | 46.3 Ų | 46.3 | 79% | 0.785 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -24 | 178.3 | -77 | 175.4 | 178.7 | -175.2 | -0.8 | 113.6 | R267 M269 | R267-R271 WeakPolarHBondContact O-CG 3.42Å; R267-R271 PolarHBondContact O-N 2.82Å; M269-R271 PolarHBondContact O-N 2.99Å; M269-R271 VanDerWaalsContact O-N 3.13Å |
| 272 | N | 88.3 | Confident | 89.7 | Confident | 91 Ų | 91 | 46.4 Ų | 46.4 | 49% | 0.487 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | -11.5 | -178.9 | -60.9 | -28.3 | 0 | 0 | 0 | 112.7 | F268 M269 I270 K274 | F268-N272 PolarHBondContact O-ND2 3.28Å; M269-N272 PolarHBondContact O-N 2.96Å; I270-N272 PolarHBondContact O-N 3.46Å; N272-K274 PolarHBondContact O-N 2.89Å |
| 273 | L | 89.9 | Confident | 88.7 | Confident | 18 Ų | 18 | 47.2 Ų | 47.2 | 9% | 0.094 | 24% | 0.242 | C | C | . | . | trans | -69.4 | 119.7 | 178 | -66.6 | 171.3 | 0 | 0 | 0 | 110.9 | E160 I270 M275 W285 | E160-L273 WeakPolarHBondContact O-CD2 3.42Å; E160-L273 VanDerWaalsContact OE2-CD2 3.22Å; E160-L273 WeakPolarHBondContact OE2-CD2 3.35Å; I270-L273 HydrophobicContact CG2-CD1 4.4Å; I270-L273 WeakPolarHBondContact O-CB 3.11Å; I270-L273 PolarHBondContact O-N 3.02Å; I270-L273 VanDerWaalsContact O-N 3.15Å; L273-M275 VanDerWaalsContact C-N 3.29Å; L273-M275 HydrophobicContact CB-CG 4.2Å; L273-M275 HydrophobicContact CB-SD 4.36Å; L273-M275 PolarHBondContact O-N 2.82Å; L273-M275 VanDerWaalsContact O-N 3.12Å; L273-W285 HydrophobicContact CD2-CZ2 4.17Å | ||
| 274 | K | 93.7 | Very high | 87.7 | Confident | 87 Ų | 87 | 45.6 Ų | 45.6 | 38% | 0.378 | 23% | 0.234 | S | C | . | . | trans | -88.6 | 64.8 | 174.5 | -59.9 | -174.2 | -174.6 | 139.4 | 0 | 110.8 | D158 V159 N272 G276 K277 | D158-K274 WeakPolarHBondContact O-CD 3.45Å; D158-K274 WeakPolarHBondContact O-CE 3.26Å; D158-K274 PolarHBondContact O-NZ 2.68Å; V159-K274 PolarHBondContact O-N 3.06Å; N272-K274 PolarHBondContact O-N 2.89Å; K274-G276 PolarHBondContact O-N 3.03Å; K274-K277 HydrophobicContact CB-CD 4.19Å; K274-K277 HydrophobicContact CB-CG 4.24Å; K274-K277 HydrophobicContact CD-CD 4.21Å; K274-K277 WeakPolarHBondContact O-CB 3.26Å; K274-K277 PolarHBondContact O-N 3.18Å | ||
| 275 | M | 90.5 | Very high | 86.3 | Confident | 32 Ų | 32 | 43.1 Ų | 43.1 | 16% | 0.158 | 22% | 0.218 | C | C | . | . | G | 310 helix | trans | -57.4 | -23.6 | -177.3 | -67.9 | -57.2 | -53.2 | 0 | 0 | 114.6 | E116 P237 L273 K277 V278 M281 W285 | E116-M275 WeakPolarHBondContact OE2-CE 3.49Å; P237-M275 HydrophobicContact CG-CE 4.16Å; L273-M275 VanDerWaalsContact C-N 3.29Å; L273-M275 HydrophobicContact CB-CG 4.2Å; L273-M275 HydrophobicContact CB-SD 4.36Å; L273-M275 PolarHBondContact O-N 2.82Å; L273-M275 VanDerWaalsContact O-N 3.12Å; M275-K277 PolarHBondContact O-N 3.36Å; M275-K277 VanDerWaalsContact O-N 3.15Å; M275-V278 HydrophobicContact CE-CB 3.91Å; M275-V278 HydrophobicContact CE-CG1 3.95Å; M275-V278 HydrophobicContact CE-CG2 4.07Å; M275-V278 WeakPolarHBondContact O-CB 3.26Å; M275-V278 PolarHBondContact O-N 3.32Å; M275-V278 HydrophobicContact SD-CG2 4.07Å; M275-M281 HydrophobicContact CE-SD 4.25Å; M275-W285 HydrophobicContact SD-CZ2 4.12Å |
| 276 | G | 93.7 | Very high | 84.4 | Confident | 71 Ų | 71 | 41.1 Ų | 41.1 | 73% | 0.732 | 20% | 0.198 | S | C | * | . | G | 310 helix | trans | -62.6 | -15.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | K274 | K274-G276 PolarHBondContact O-N 3.03Š|
| 277 | K | 96.9 | Very high | 82.3 | Confident | 47 Ų | 47 | 41.4 Ų | 41.4 | 20% | 0.204 | 20% | 0.2 | C | C | . | . | G | 310 helix | trans | -96.8 | -0.4 | 175.8 | -59.2 | -170.8 | 173.8 | -161 | 0 | 113.3 | V159 Y208 A209 D210 K274 M275 Y279 | V159-K277 HydrophobicContact CG1-CB 4.25Å; V159-K277 HydrophobicContact CG2-CB 4.19Å; V159-K277 HydrophobicContact CG2-CD 4Å; Y208-K277 WeakPolarHBondContact CA-O 3.41Å; A209-K277 PolarHBondContact N-O 2.91Å; A209-K277 WeakPolarHBondContact O-CA 3.16Å; A209-K277 VanDerWaalsContact O-CB 3.24Å; A209-K277 WeakPolarHBondContact O-CB 3.34Å; A209-K277 WeakPolarHBondContact O-CG 3.3Å; D210-K277 VanDerWaalsContact OD1-CE 3.27Å; D210-K277 WeakPolarHBondContact OD1-CE 3.46Å; D210-K277 IonicContact OD1-NZ 3.92Å; D210-K277 PolarHBondContact OD1-NZ 2.85Å; D210-K277 IonicContact OD2-NZ 3.16Å; K274-K277 HydrophobicContact CB-CD 4.19Å; K274-K277 HydrophobicContact CB-CG 4.24Å; K274-K277 HydrophobicContact CD-CD 4.21Å; K274-K277 WeakPolarHBondContact O-CB 3.26Å; K274-K277 PolarHBondContact O-N 3.18Å; M275-K277 PolarHBondContact O-N 3.36Å; M275-K277 VanDerWaalsContact O-N 3.15Å; K277-Y279 WeakPolarHBondContact O-CD2 3.39Å |
| 278 | V | 95.1 | Very high | 82 | Confident | 2 Ų | 2 | 37.1 Ų | 37.1 | 1% | 0.012 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 110.9 | -173.4 | 175.8 | 0 | 0 | 0 | 0 | 110.6 | V159 Y208 P237 N240 M275 M281 W285 | V159-V278 HydrophobicContact CG1-CG2 3.93Å; Y208-V278 HydrophobicContact CD1-CB 4.27Å; Y208-V278 HydrophobicContact CD1-CG1 4.35Å; Y208-V278 HydrophobicContact CD1-CG2 3.98Å; Y208-V278 HydrophobicContact CE1-CB 4.3Å; Y208-V278 HydrophobicContact CE1-CG1 3.96Å; Y208-V278 HydrophobicContact CE1-CG2 3.95Å; P237-V278 HydrophobicContact CG-CG1 4.31Å; N240-V278 PolarHBondContact ND2-O 3.37Å; M275-V278 HydrophobicContact CE-CB 3.91Å; M275-V278 HydrophobicContact CE-CG1 3.95Å; M275-V278 HydrophobicContact CE-CG2 4.07Å; M275-V278 WeakPolarHBondContact O-CB 3.26Å; M275-V278 PolarHBondContact O-N 3.32Å; M275-V278 HydrophobicContact SD-CG2 4.07Å; V278-M281 HydrophobicContact CG1-CG 3.29Å; V278-M281 HydrophobicContact CG1-SD 3.97Å; V278-W285 HydrophobicContact CG2-CH2 3.82Å; V278-W285 HydrophobicContact CG2-CZ2 3.95Å |
| 279 | Y | 97.3 | Very high | 81.6 | Confident | 9 Ų | 9 | 33.4 Ų | 33.4 | 4% | 0.035 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | -43.3 | -178.7 | -70.8 | -99.6 | 0 | 0 | 0 | 112.5 | L207 A209 D211 D212 A215 F236 N240 L242 L243 K277 | L207-Y279 WeakPolarHBondContact O-CA 3.35Å; L207-Y279 VanDerWaalsContact O-CB 3.31Å; L207-Y279 WeakPolarHBondContact O-CB 3.44Å; L207-Y279 PolarHBondContact O-N 2.7Å; A209-Y279 HydrophobicContact CB-CD2 4.08Å; A209-Y279 HydrophobicContact CB-CE2 3.82Å; D211-Y279 PolarHBondContact O-OH 2.88Å; D212-Y279 WeakPolarHBondContact CA-OH 3.19Å; D212-Y279 PolarHBondContact N-OH 3.28Å; D212-Y279 VanDerWaalsContact OD1-CE1 3.26Å; D212-Y279 WeakPolarHBondContact OD1-CE1 3.45Å; D212-Y279 PolarHBondContact OD1-OH 3.24Å; A215-Y279 HydrophobicContact CB-CD1 3.35Å; A215-Y279 HydrophobicContact CB-CD2 3.77Å; A215-Y279 HydrophobicContact CB-CE1 3.4Å; A215-Y279 HydrophobicContact CB-CE2 3.81Å; A215-Y279 HydrophobicContact CB-CG 3.57Å; F236-Y279 WeakPolarHBondContact CB-O 3.45Å; N240-Y279 WeakPolarHBondContact ND2-CD1 3.44Å; L242-Y279 HydrophobicContact CB-CE1 4.39Å; L242-Y279 HydrophobicContact CD2-CD1 3.93Å; L242-Y279 HydrophobicContact CD2-CE1 3.74Å; L243-Y279 HydrophobicContact CD2-CD1 3.6Å; L243-Y279 HydrophobicContact CD2-CG 4.16Å; L243-Y279 WeakPolarHBondContact CG-O 3.16Å; K277-Y279 WeakPolarHBondContact O-CD2 3.39Å |
| 280 | C | 95.2 | Very high | 81.4 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 141.3 | 165.1 | -65.1 | 0 | 0 | 0 | 0 | 109.1 | L204 P206 L207 Y208 | L204-C280 HydrophobicContact CD2-CB 4.04Å; L204-C280 WeakPolarHBondContact O-CB 3.49Å; P206-C280 WeakPolarHBondContact CA-O 3.48Å; L207-C280 HydrophobicContact CB-CB 3.83Å; L207-C280 PolarHBondContact N-O 2.97Å; L207-C280 PolarHBondContact O-N 3.14Å; L207-C280 VanDerWaalsContact O-N 3.08Å; Y208-C280 WeakPolarHBondContact CE1-O 3.08Å |
| 281 | M | 88 | Confident | 81.1 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 18% | 0.18 | C | C | . | . | B | Isolated β-bridge | trans | -110.5 | 158.9 | 177.5 | -58 | 177.7 | -39.4 | 0 | 0 | 109.5 | L118 S205 L235 M275 V278 W285 | L118-M281 HydrophobicContact CB-CE 4.37Å; L118-M281 HydrophobicContact CD1-CE 3.44Å; L118-M281 VanDerWaalsContact CD1-CE 3.44Å; L118-M281 HydrophobicContact CD2-CE 3.36Å; L118-M281 HydrophobicContact CD2-SD 4Å; L118-M281 HydrophobicContact CG-CE 3.84Å; S205-M281 WeakPolarHBondContact CB-O 3.35Å; S205-M281 PolarHBondContact OG-O 3.33Å; L235-M281 HydrophobicContact CD2-CE 3.96Å; L235-M281 HydrophobicContact CG-CE 3.95Å; L235-M281 PolarHBondContact O-N 2.65Å; M275-M281 HydrophobicContact CE-SD 4.25Å; V278-M281 HydrophobicContact CG1-CG 3.29Å; V278-M281 HydrophobicContact CG1-SD 3.97Å; M281-W285 HydrophobicContact CB-CB 4.09Å; M281-W285 HydrophobicContact CB-CG 4.36Å; M281-W285 HydrophobicContact CG-CD2 4.4Å; M281-W285 HydrophobicContact CG-CG 4.44Å; M281-W285 HydrophobicContact SD-CG 4.28Å |
| 282 | H | 77 | Confident | 80.8 | Confident | 1 Ų | 1 | 24.4 Ų | 24.4 | 1% | 0.005 | 14% | 0.142 | C | C | . | . | trans | -87.2 | 159.6 | 171.4 | 45.9 | 87.8 | 0 | 0 | 0 | 108.4 | R164 W171 S205 Y284 W285 V287 | R164-H282 PolarHBondContact NH1-CE1 3.04Å; R164-H282 PolarHBondContact NH1-NE2 2.99Å; W171-H282 HydrophobicContact CH2-CB 4.33Å; W171-H282 HydrophobicContact CZ2-CB 4.04Å; S205-H282 WeakPolarHBondContact OG-CA 3.15Å; S205-H282 WeakPolarHBondContact OG-CB 3.49Å; S205-H282 PolarHBondContact OG-N 3.24Å; H282-Y284 PolarHBondContact CE1-O 2.94Å; H282-Y284 VanDerWaalsContact CE1-O 3.31Å; H282-Y284 PolarHBondContact ND1-N 3.1Å; H282-Y284 PolarHBondContact ND1-O 3.19Å; H282-Y284 PolarHBondContact O-N 2.95Å; H282-W285 WeakPolarHBondContact CE1-CA 3.27Å; H282-W285 PolarHBondContact CE1-N 3.37Å; H282-W285 PolarHBondContact ND1-N 2.99Å; H282-W285 VanDerWaalsContact ND1-N 3.12Å; H282-W285 AromaticContact NE2-CE3 3.47Å; H282-W285 WeakPolarHBondContact O-CB 3.41Å; H282-W285 PolarHBondContact O-N 3.05Å; H282-V287 PolarHBondContact CE1-O 2.98Å; H282-V287 PolarHBondContact ND1-O 3.28Å; H282-V287 PolarHBondContact NE2-O 2.77Å | ||
| 283 | D | 65.7 | Low | 80.3 | Confident | 19 Ų | 19 | 20 Ų | 20 | 10% | 0.102 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -22.4 | -179.8 | -44.2 | -35.2 | 0 | 0 | 0 | 111.3 | V27 G28 | V27-D283 HydrophobicContact CB-CB 4.46Å; V27-D283 HydrophobicContact CG1-CB 4.44Å; V27-D283 VanDerWaalsContact CG1-OD1 3.25Å; V27-D283 WeakPolarHBondContact CG1-OD1 3.32Å; V27-D283 WeakPolarHBondContact CG1-OD2 3.43Å; G28-D283 WeakPolarHBondContact CA-OD2 3.38Å; G28-D283 PolarHBondContact N-OD2 2.97Å; G28-D283 VanDerWaalsContact N-OD2 3.15Å |
| 284 | Y | 66.8 | Low | 79.6 | Confident | 3 Ų | 3 | 20.1 Ų | 20.1 | 1% | 0.012 | 12% | 0.121 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.3 | 21.7 | 179.8 | -84.3 | -102.6 | 0 | 0 | 0 | 114.1 | Y32 H35 W43 H60 Y70 H282 V287 | Y32-Y284 HydrophobicContact CD1-CE2 4.21Å; Y32-Y284 WeakPolarHBondContact CD1-OH 3.32Å; Y32-Y284 HydrophobicContact CE1-CE2 4.09Å; Y32-Y284 WeakPolarHBondContact CE1-OH 3.43Å; H35-Y284 HydrophobicContact CB-CD1 3.83Å; H35-Y284 HydrophobicContact CB-CE1 3.29Å; H35-Y284 HydrophobicContact CB-CE2 4.38Å; H35-Y284 AromaticContact CD2-CD1 3.86Å; H35-Y284 AromaticContact CD2-CD2 3.37Å; H35-Y284 WeakPolarHBondContact CD2-CD2 3.48Å; H35-Y284 AromaticContact CD2-CE1 3.6Å; H35-Y284 AromaticContact CD2-CE2 3.05Å; H35-Y284 WeakPolarHBondContact CD2-CE2 3.5Å; H35-Y284 AromaticContact CD2-CG 3.72Å; H35-Y284 AromaticContact CD2-CZ 3.16Å; H35-Y284 WeakPolarHBondContact CE1-CB 3.42Å; H35-Y284 AromaticContact CE1-CD1 3.55Å; H35-Y284 AromaticContact CE1-CD2 3.19Å; H35-Y284 WeakPolarHBondContact CE1-CD2 3.32Å; H35-Y284 AromaticContact CE1-CE2 3.78Å; H35-Y284 AromaticContact CE1-CG 3.01Å; H35-Y284 AromaticContact CG-CD1 3.32Å; H35-Y284 AromaticContact CG-CD2 3.74Å; H35-Y284 AromaticContact CG-CE1 3.15Å; H35-Y284 AromaticContact CG-CE2 3.58Å; H35-Y284 AromaticContact CG-CG 3.58Å; H35-Y284 AromaticContact CG-CZ 3.25Å; H35-Y284 AromaticContact ND1-CD1 3.1Å; H35-Y284 WeakPolarHBondContact ND1-CD1 3.39Å; H35-Y284 AromaticContact ND1-CD2 3.64Å; H35-Y284 AromaticContact ND1-CE1 3.52Å; H35-Y284 AromaticContact ND1-CE2 3.99Å; H35-Y284 AromaticContact ND1-CG 3.14Å; H35-Y284 AromaticContact ND1-CZ 3.91Å; H35-Y284 AromaticContact NE2-CD2 3.03Å; H35-Y284 WeakPolarHBondContact NE2-CD2 3.42Å; H35-Y284 AromaticContact NE2-CE2 3.25Å; H35-Y284 WeakPolarHBondContact NE2-CE2 3.41Å; H35-Y284 AromaticContact NE2-CG 3.42Å; H35-Y284 AromaticContact NE2-CZ 3.82Å; W43-Y284 HydrophobicContact CZ2-CE1 4.27Å; H60-Y284 AromaticContact CE1-CD1 3.6Å; H60-Y284 AromaticContact CE1-CE1 3.43Å; H60-Y284 VanDerWaalsContact CE1-CE1 3.43Å; H60-Y284 WeakPolarHBondContact CE1-CE1 3.49Å; H60-Y284 AromaticContact NE2-CD1 3.88Å; H60-Y284 AromaticContact NE2-CE1 3.85Å; Y70-Y284 HydrophobicContact CD1-CD1 4.34Å; Y70-Y284 AromaticContact CD1-CE1 3.49Å; Y70-Y284 HydrophobicContact CD1-CE1 3.49Å; Y70-Y284 VanDerWaalsContact CD1-CE1 3.49Å; Y70-Y284 HydrophobicContact CD1-CE2 4.1Å; Y70-Y284 AromaticContact CD1-CZ 3.37Å; Y70-Y284 WeakPolarHBondContact CD1-OH 3.22Å; Y70-Y284 AromaticContact CD2-CD1 3.75Å; Y70-Y284 HydrophobicContact CD2-CD1 3.75Å; Y70-Y284 AromaticContact CD2-CD2 3.94Å; Y70-Y284 HydrophobicContact CD2-CD2 3.94Å; Y70-Y284 AromaticContact CD2-CE1 3.72Å; Y70-Y284 HydrophobicContact CD2-CE1 3.72Å; Y70-Y284 AromaticContact CD2-CE2 3.94Å; Y70-Y284 HydrophobicContact CD2-CE2 3.94Å; Y70-Y284 AromaticContact CD2-CG 3.88Å; Y70-Y284 HydrophobicContact CD2-CG 3.88Å; Y70-Y284 AromaticContact CD2-CZ 3.86Å; Y70-Y284 HydrophobicContact CE1-CD2 4.46Å; Y70-Y284 AromaticContact CE1-CE1 3.8Å; Y70-Y284 HydrophobicContact CE1-CE1 3.8Å; Y70-Y284 AromaticContact CE1-CE2 3.54Å; Y70-Y284 HydrophobicContact CE1-CE2 3.54Å; Y70-Y284 AromaticContact CE1-CZ 3.15Å; Y70-Y284 WeakPolarHBondContact CE1-OH 3.36Å; Y70-Y284 HydrophobicContact CE2-CD1 4.15Å; Y70-Y284 AromaticContact CE2-CD2 3.47Å; Y70-Y284 HydrophobicContact CE2-CD2 3.47Å; Y70-Y284 VanDerWaalsContact CE2-CD2 3.47Å; Y70-Y284 HydrophobicContact CE2-CE1 4.01Å; Y70-Y284 AromaticContact CE2-CE2 3.34Å; Y70-Y284 HydrophobicContact CE2-CE2 3.34Å; Y70-Y284 AromaticContact CE2-CG 3.92Å; Y70-Y284 HydrophobicContact CE2-CG 3.92Å; Y70-Y284 AromaticContact CE2-CZ 3.66Å; Y70-Y284 AromaticContact CG-CD1 3.86Å; Y70-Y284 HydrophobicContact CG-CD1 3.86Å; Y70-Y284 AromaticContact CG-CE1 3.45Å; Y70-Y284 HydrophobicContact CG-CE1 3.45Å; Y70-Y284 VanDerWaalsContact CG-CE1 3.45Å; Y70-Y284 HydrophobicContact CG-CE2 4.28Å; Y70-Y284 HydrophobicContact CG-CG 4.44Å; Y70-Y284 AromaticContact CG-CZ 3.73Å; Y70-Y284 AromaticContact CZ-CD2 3.77Å; Y70-Y284 AromaticContact CZ-CE2 3.1Å; Y70-Y284 AromaticContact CZ-CZ 3.3Å; Y70-Y284 VanDerWaalsContact OH-CE2 3.32Å; Y70-Y284 WeakPolarHBondContact OH-CE2 3.34Å; H282-Y284 PolarHBondContact CE1-O 2.94Å; H282-Y284 VanDerWaalsContact CE1-O 3.31Å; H282-Y284 PolarHBondContact ND1-N 3.1Å; H282-Y284 PolarHBondContact ND1-O 3.19Å; H282-Y284 PolarHBondContact O-N 2.95Å; Y284-V287 WeakPolarHBondContact O-CA 3.33Å; Y284-V287 WeakPolarHBondContact O-CB 3.41Å; Y284-V287 PolarHBondContact O-N 2.85Å |
| 285 | W | 59.1 | Low | 78.5 | Confident | 5 Ų | 5 | 15 Ų | 15 | 2% | 0.019 | 10% | 0.101 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | 136.9 | -177.3 | 177.7 | -83.7 | 0 | 0 | 0 | 113.1 | M68 V159 E160 Y208 L273 M275 V278 M281 H282 | M68-W285 VanDerWaalsContact SD-C 3.52Å; V159-W285 HydrophobicContact CG1-CH2 4.25Å; E160-W285 HydrophobicContact CG-CH2 3.53Å; E160-W285 HydrophobicContact CG-CZ2 4.29Å; E160-W285 HydrophobicContact CG-CZ3 3.63Å; E160-W285 WeakPolarHBondContact OE1-CH2 3.36Å; E160-W285 WeakPolarHBondContact OE1-CZ3 3.43Å; E160-W285 WeakPolarHBondContact OE2-CH2 3.45Å; E160-W285 WeakPolarHBondContact OE2-CZ2 3.11Å; E160-W285 WeakPolarHBondContact OE2-CZ3 3.14Å; Y208-W285 HydrophobicContact CE1-CE3 4.37Å; Y208-W285 AromaticContact CE1-CH2 3.98Å; Y208-W285 HydrophobicContact CE1-CH2 3.98Å; Y208-W285 AromaticContact CE1-CZ3 3.67Å; Y208-W285 HydrophobicContact CE1-CZ3 3.67Å; Y208-W285 HydrophobicContact CE2-CH2 4.14Å; Y208-W285 AromaticContact CE2-CZ3 3.59Å; Y208-W285 HydrophobicContact CE2-CZ3 3.59Å; Y208-W285 AromaticContact CZ-CE3 3.74Å; Y208-W285 AromaticContact CZ-CH2 3.64Å; Y208-W285 AromaticContact CZ-CZ3 2.98Å; Y208-W285 WeakPolarHBondContact OH-CZ3 3.44Å; L273-W285 HydrophobicContact CD2-CZ2 4.17Å; M275-W285 HydrophobicContact SD-CZ2 4.12Å; V278-W285 HydrophobicContact CG2-CH2 3.82Å; V278-W285 HydrophobicContact CG2-CZ2 3.95Å; M281-W285 HydrophobicContact CB-CB 4.09Å; M281-W285 HydrophobicContact CB-CG 4.36Å; M281-W285 HydrophobicContact CG-CD2 4.4Å; M281-W285 HydrophobicContact CG-CG 4.44Å; M281-W285 HydrophobicContact SD-CG 4.28Å; H282-W285 WeakPolarHBondContact CE1-CA 3.27Å; H282-W285 PolarHBondContact CE1-N 3.37Å; H282-W285 PolarHBondContact ND1-N 2.99Å; H282-W285 VanDerWaalsContact ND1-N 3.12Å; H282-W285 AromaticContact NE2-CE3 3.47Å; H282-W285 WeakPolarHBondContact O-CB 3.41Å; H282-W285 PolarHBondContact O-N 3.05Å |
| 286 | P | 49.9 | Very low | 77.5 | Confident | 1 Ų | 1 | 13.6 Ų | 13.6 | 1% | 0.006 | 10% | 0.096 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -91.1 | 22.5 | 2 | 36.2 | -42.1 | 0 | 0 | 0 | 119 | M68 L98 E160 F162 R164 | M68-P286 HydrophobicContact CE-CB 4.43Å; M68-P286 HydrophobicContact CE-CG 3.52Å; L98-P286 VanDerWaalsContact CD1-CD 3.44Å; L98-P286 HydrophobicContact CD1-CG 4.03Å; L98-P286 HydrophobicContact CD2-CG 4.47Å; E160-P286 VanDerWaalsContact CD-CB 3.43Å; E160-P286 VanDerWaalsContact OE1-CA 3.29Å; E160-P286 WeakPolarHBondContact OE1-CA 3.19Å; E160-P286 WeakPolarHBondContact OE1-CB 3.39Å; E160-P286 WeakPolarHBondContact OE2-CB 2.84Å; F162-P286 HydrophobicContact CE1-CB 3.51Å; F162-P286 HydrophobicContact CE1-CG 3.61Å; F162-P286 HydrophobicContact CZ-CB 3.39Å; F162-P286 HydrophobicContact CZ-CG 3.51Å; F162-P286 WeakPolarHBondContact CZ-O 3.48Å; R164-P286 WeakPolarHBondContact CD-O 3.49Å; R164-P286 PolarHBondContact NH1-O 3.37Å |
| 287 | V | 45.1 | Very low | 76 | Confident | 5 Ų | 5 | 8.4 Ų | 8.4 | 3% | 0.03 | 4% | 0.039 | C | C | . | . | trans | -74.9 | 0 | 176.1 | -170.8 | 0 | 0 | 0 | 0 | 113.8 | H60 M68 R164 F167 H282 Y284 | H60-V287 HydrophobicContact CB-CG2 3.67Å; M68-V287 HydrophobicContact CE-CB 4.32Å; M68-V287 HydrophobicContact CE-CG2 3.21Å; M68-V287 HydrophobicContact SD-CG2 3.65Å; R164-V287 VanDerWaalsContact CD-OXT 3.27Å; R164-V287 WeakPolarHBondContact CD-OXT 3.46Å; R164-V287 PolarHBondContact NH1-O 3.35Å; R164-V287 PolarHBondContact NH1-OXT 3.01Å; F167-V287 HydrophobicContact CB-CG1 3.92Å; F167-V287 HydrophobicContact CD1-CG1 4.39Å; F167-V287 WeakPolarHBondContact CD1-O 3.19Å; F167-V287 WeakPolarHBondContact CD1-OXT 3.46Å; F167-V287 HydrophobicContact CD2-CG1 3.76Å; F167-V287 WeakPolarHBondContact CE1-O 3.47Å; F167-V287 VanDerWaalsContact CE1-OXT 3.28Å; F167-V287 WeakPolarHBondContact CE1-OXT 3.43Å; F167-V287 HydrophobicContact CE2-CG1 4.4Å; F167-V287 HydrophobicContact CG-CG1 3.72Å; F167-V287 WeakPolarHBondContact CG-OXT 3.41Å; F167-V287 WeakPolarHBondContact CZ-O 3.41Å; H282-V287 PolarHBondContact CE1-O 2.98Å; H282-V287 PolarHBondContact ND1-O 3.28Å; H282-V287 PolarHBondContact NE2-O 2.77Å; Y284-V287 WeakPolarHBondContact O-CA 3.33Å; Y284-V287 WeakPolarHBondContact O-CB 3.41Å; Y284-V287 PolarHBondContact O-N 2.85Å |
Retrieved 287 of 287 residues in 788.3 ms
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