| 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 | 84.6 | Confident | 93.9 | Very high | 47 Ų | 47 | 80.6 Ų | 80.6 | 23% | 0.232 | 44% | 0.441 | C | S | . | . | 0 | 166.8 | 0 | -80.1 | 161.5 | -79.4 | 0 | 0 | 110.7 | T3 E4 I5 D86 W89 L90 | M1-T3 WeakPolarHBondContact CB-OG1 3.02Å; M1-T3 PolarHBondContact O-N 3.02Å; M1-T3 VanDerWaalsContact O-N 3.12Å; M1-E4 PolarHBondContact N-OE2 3.39Å; M1-E4 WeakPolarHBondContact O-CA 3.44Å; M1-E4 WeakPolarHBondContact O-CB 3.42Å; M1-E4 PolarHBondContact O-N 2.75Å; M1-I5 WeakPolarHBondContact O-CG1 3.44Å; M1-I5 PolarHBondContact O-N 3.15Å; M1-D86 HydrophobicContact CE-CB 3.25Å; M1-D86 VanDerWaalsContact CE-OD1 3.28Å; M1-D86 WeakPolarHBondContact CE-OD1 3.31Å; M1-D86 HydrophobicContact SD-CB 4.17Å; M1-W89 HydrophobicContact CG-CG 4.4Å; M1-W89 HydrophobicContact SD-CB 3.45Å; M1-W89 WeakPolarHBondContact SD-CB 3.47Å; M1-W89 VanDerWaalsContact SD-CD1 3.57Å; M1-W89 HydrophobicContact SD-CD2 4.4Å; M1-W89 HydrophobicContact SD-CG 3.51Å; M1-W89 VanDerWaalsContact SD-CG 3.51Å; M1-L90 HydrophobicContact CE-CD1 4.27Å; M1-L90 HydrophobicContact CE-CG 4.16Å | |||
| 2 | I | 89.8 | Confident | 94.2 | Very high | 43 Ų | 43 | 77.3 Ų | 77.3 | 22% | 0.221 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -55.7 | -32.5 | -177.2 | -167.3 | 168.5 | 0 | 0 | 0 | 113.2 | E4 I5 L6 V13 V15 F75 L77 | I2-E4 VanDerWaalsContact C-N 3.27Å; I2-E4 PolarHBondContact O-N 3.12Å; I2-I5 PolarHBondContact O-N 3.04Å; I2-L6 HydrophobicContact CD1-CD1 4.09Å; I2-L6 HydrophobicContact CG1-CD1 3.72Å; I2-L6 HydrophobicContact CG1-CG 4.16Å; I2-L6 PolarHBondContact O-N 3.48Å; I2-L6 VanDerWaalsContact O-N 3.14Å; I2-V13 HydrophobicContact CD1-CG1 3.78Å; I2-V15 HydrophobicContact CD1-CG2 3.5Å; I2-F75 HydrophobicContact CD1-CD2 3.96Å; I2-F75 HydrophobicContact CD1-CE2 4.39Å; I2-F75 HydrophobicContact CG2-CD2 4.12Å; I2-F75 HydrophobicContact CG2-CE2 4.24Å; I2-L77 HydrophobicContact CG1-CD2 4.39Å; I2-L77 HydrophobicContact CG2-CD2 4.06Å |
| 3 | T | 92.8 | Very high | 94.5 | Very high | 6 Ų | 6 | 73.5 Ų | 73.5 | 4% | 0.037 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -58.2 | -33 | 171.7 | 39.2 | 0 | 0 | 0 | 0 | 114.1 | M1 L77 L80 R81 W85 D86 | M1-T3 WeakPolarHBondContact CB-OG1 3.02Å; M1-T3 PolarHBondContact O-N 3.02Å; M1-T3 VanDerWaalsContact O-N 3.12Å; T3-L77 HydrophobicContact CG2-CD2 4.46Å; T3-L80 HydrophobicContact CG2-CB 3.89Å; T3-L80 HydrophobicContact CG2-CD1 4.37Å; T3-R81 HydrophobicContact CG2-CG 4.18Å; T3-R81 PolarHBondContact O-NE 2.99Å; T3-R81 PolarHBondContact O-NH2 3.02Å; T3-W85 VanDerWaalsContact CG2-CD1 3.46Å; T3-W85 HydrophobicContact CG2-CG 4.1Å; T3-W85 VanDerWaalsContact OG1-CD1 3.31Å; T3-D86 PolarHBondContact OG1-OD1 2.81Å |
| 4 | E | 91.9 | Very high | 94.8 | Very high | 125 Ų | 125 | 70.7 Ų | 70.7 | 58% | 0.584 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -96.2 | -29.6 | -179.6 | -59.8 | 173.6 | 135.5 | 0 | 0 | 112.6 | M1 I2 D86 | M1-E4 PolarHBondContact N-OE2 3.39Å; M1-E4 WeakPolarHBondContact O-CA 3.44Å; M1-E4 WeakPolarHBondContact O-CB 3.42Å; M1-E4 PolarHBondContact O-N 2.75Å; I2-E4 VanDerWaalsContact C-N 3.27Å; I2-E4 PolarHBondContact O-N 3.12Å; E4-D86 WeakPolarHBondContact CG-OD2 3.35Å |
| 5 | I | 94.3 | Very high | 95 | Very high | 135 Ų | 135 | 69.2 Ų | 69.2 | 69% | 0.692 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -75 | -43.9 | -178.2 | -66.6 | 165.8 | 0 | 0 | 0 | 110.9 | M1 I2 | M1-I5 WeakPolarHBondContact O-CG1 3.44Å; M1-I5 PolarHBondContact O-N 3.15Å; I2-I5 PolarHBondContact O-N 3.04Å |
| 6 | L | 96 | Very high | 95.2 | Very high | 52 Ų | 52 | 68.6 Ų | 68.6 | 27% | 0.272 | 37% | 0.373 | S | S | . | . | S | Bend | trans | -84.5 | 140.6 | -177.8 | -66 | 177.8 | 0 | 0 | 0 | 111.3 | I2 V13 L77 R81 | I2-L6 HydrophobicContact CD1-CD1 4.09Å; I2-L6 HydrophobicContact CG1-CD1 3.72Å; I2-L6 HydrophobicContact CG1-CG 4.16Å; I2-L6 PolarHBondContact O-N 3.48Å; I2-L6 VanDerWaalsContact O-N 3.14Å; L6-V13 HydrophobicContact CD1-CB 4.16Å; L6-V13 HydrophobicContact CD1-CG1 4.04Å; L6-V13 HydrophobicContact CD1-CG2 4.06Å; L6-L77 HydrophobicContact CB-CD1 4.16Å; L6-L77 HydrophobicContact CD1-CD1 3.69Å; L6-R81 PolarHBondContact O-NH2 3.41Å |
| 7 | P | 96.3 | Very high | 95.2 | Very high | 78 Ų | 78 | 67.5 Ų | 67.5 | 51% | 0.506 | 37% | 0.367 | S | S | . | . | trans | -53.9 | 152.4 | 178.6 | -26.7 | 34.4 | 0 | 0 | 0 | 113.6 | T9 I10 R81 | P7-T9 PolarHBondContact O-N 2.62Å; P7-T9 VanDerWaalsContact O-N 3.13Å; P7-I10 PolarHBondContact O-N 3.07Å; P7-R81 PolarHBondContact O-NH2 2.99Å | ||
| 8 | L | 95.4 | Very high | 95.1 | Very high | 149 Ų | 149 | 73.6 Ų | 73.6 | 78% | 0.78 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -21.5 | 177.7 | -64.6 | -179.5 | 0 | 0 | 0 | 113.3 | I10 | L8-I10 VanDerWaalsContact C-N 3.26Å; L8-I10 PolarHBondContact O-N 3.19Å |
| 9 | T | 96.9 | Very high | 95.1 | Very high | 126 Ų | 126 | 71.6 Ų | 71.6 | 77% | 0.773 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70 | -20.1 | 175.5 | 52.7 | 0 | 0 | 0 | 0 | 113.3 | P7 | P7-T9 PolarHBondContact O-N 2.62Å; P7-T9 VanDerWaalsContact O-N 3.13Å |
| 10 | I | 97.4 | Very high | 95 | Very high | 68 Ų | 68 | 70.3 Ų | 70.3 | 35% | 0.349 | 38% | 0.379 | S | S | . | . | trans | -87.6 | 116.5 | 176.4 | -53.3 | -59.2 | 0 | 0 | 0 | 109.2 | P7 L8 K12 L77 R81 | P7-I10 PolarHBondContact O-N 3.07Å; L8-I10 VanDerWaalsContact C-N 3.26Å; L8-I10 PolarHBondContact O-N 3.19Å; I10-K12 WeakPolarHBondContact CG2-O 3.45Å; I10-L77 HydrophobicContact CB-CD1 4.37Å; I10-L77 HydrophobicContact CG2-CD1 3.9Å; I10-R81 PolarHBondContact O-NH1 3.4Å | ||
| 11 | S | 97.2 | Very high | 95 | Very high | 58 Ų | 58 | 67.6 Ų | 67.6 | 41% | 0.406 | 36% | 0.364 | S | S | . | . | trans | -97.9 | -27.2 | -174.8 | 61.9 | 0 | 0 | 0 | 0 | 114.5 | H76 L77 S78 | S11-H76 CarbonylContact O-C 3.52Å; S11-H76 PolarHBondContact O-ND1 3.47Å; S11-L77 PolarHBondContact O-N 2.93Å; S11-S78 PolarHBondContact O-N 2.91Å; S11-S78 VanDerWaalsContact O-N 3.16Å | ||
| 12 | K | 98.2 | Very high | 95.5 | Very high | 40 Ų | 40 | 68.3 Ų | 68.3 | 17% | 0.174 | 37% | 0.369 | C | S | . | . | trans | -141.5 | 143.4 | -176.2 | -66.5 | 172 | 177.8 | -176.5 | 0 | 108.5 | I10 W30 F33 D34 F75 H76 | I10-K12 WeakPolarHBondContact CG2-O 3.45Å; K12-W30 HydrophobicContact CB-CH2 3.89Å; K12-W30 HydrophobicContact CB-CZ2 4.18Å; K12-W30 HydrophobicContact CD-CZ2 4.48Å; K12-F33 HydrophobicContact CB-CD1 4.36Å; K12-F33 HydrophobicContact CB-CD2 4.13Å; K12-F33 HydrophobicContact CB-CE1 4.12Å; K12-F33 HydrophobicContact CB-CE2 3.88Å; K12-F33 HydrophobicContact CB-CG 4.37Å; K12-F33 HydrophobicContact CB-CZ 3.87Å; K12-F33 HydrophobicContact CD-CB 3.73Å; K12-F33 HydrophobicContact CD-CD1 4Å; K12-F33 HydrophobicContact CD-CD2 3.9Å; K12-F33 HydrophobicContact CD-CG 3.62Å; K12-F33 HydrophobicContact CG-CD1 3.97Å; K12-F33 HydrophobicContact CG-CD2 4.31Å; K12-F33 HydrophobicContact CG-CE1 4.14Å; K12-F33 HydrophobicContact CG-CE2 4.46Å; K12-F33 HydrophobicContact CG-CG 4.07Å; K12-F33 HydrophobicContact CG-CZ 4.38Å; K12-D34 IonicContact NZ-OD1 2.6Å; K12-D34 PolarHBondContact NZ-OD1 3.34Å; K12-F75 CarbonylContact C-O 3.54Å; K12-F75 VanDerWaalsContact CA-O 3.31Å; K12-F75 WeakPolarHBondContact CA-O 3.38Å; K12-H76 WeakPolarHBondContact CE-NE2 3.46Å | ||
| 13 | V | 98.2 | Very high | 95.7 | Very high | 29 Ų | 29 | 68.9 Ų | 68.9 | 18% | 0.176 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 141.1 | 175.5 | 65.4 | 0 | 0 | 0 | 0 | 110.4 | I2 L6 V15 F75 L77 | I2-V13 HydrophobicContact CD1-CG1 3.78Å; L6-V13 HydrophobicContact CD1-CB 4.16Å; L6-V13 HydrophobicContact CD1-CG1 4.04Å; L6-V13 HydrophobicContact CD1-CG2 4.06Å; V13-V15 HydrophobicContact CG1-CG2 4.45Å; V13-F75 HydrophobicContact CG1-CB 3.81Å; V13-F75 HydrophobicContact CG1-CD2 4.44Å; V13-F75 PolarHBondContact N-O 2.86Å; V13-F75 PolarHBondContact O-N 3.03Å; V13-L77 HydrophobicContact CB-CD1 4.24Å; V13-L77 HydrophobicContact CG1-CD1 3.78Å; V13-L77 HydrophobicContact CG1-CD2 3.91Å; V13-L77 HydrophobicContact CG1-CG 3.85Å |
| 14 | I | 98.3 | Very high | 95.8 | Very high | 34 Ų | 34 | 70.7 Ų | 70.7 | 17% | 0.174 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 130.1 | 167.1 | -59.8 | 177.2 | 0 | 0 | 0 | 107.4 | L16 I26 L29 W30 F33 L73 L74 | I14-L16 HydrophobicContact CG2-CD1 4.47Å; I14-L16 HydrophobicContact CG2-CD2 3.61Å; I14-L16 HydrophobicContact CG2-CG 3.85Å; I14-I26 HydrophobicContact CD1-CD1 4.43Å; I14-I26 HydrophobicContact CD1-CG1 4.28Å; I14-L29 HydrophobicContact CD1-CB 4.34Å; I14-L29 HydrophobicContact CD1-CD2 4.19Å; I14-L29 HydrophobicContact CD1-CG 4.09Å; I14-L29 HydrophobicContact CG2-CD2 4.11Å; I14-W30 HydrophobicContact CD1-CB 4.21Å; I14-W30 HydrophobicContact CD1-CE3 3.85Å; I14-W30 HydrophobicContact CG1-CE3 3.98Å; I14-W30 HydrophobicContact CG1-CZ3 4.42Å; I14-F33 HydrophobicContact CG1-CE2 4.1Å; I14-L73 CarbonylContact C-O 3.55Å; I14-L73 VanDerWaalsContact CA-O 3.29Å; I14-L73 WeakPolarHBondContact CA-O 3.22Å; I14-L74 HydrophobicContact CG1-CD1 4.46Å; I14-L74 HydrophobicContact CG1-CG 4.27Å |
| 15 | V | 97.4 | Very high | 96 | Very high | 48 Ų | 48 | 69.4 Ų | 69.4 | 29% | 0.291 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 129.2 | 171.4 | -173.7 | 0 | 0 | 0 | 0 | 107.6 | I2 V13 L73 F75 | I2-V15 HydrophobicContact CD1-CG2 3.5Å; V13-V15 HydrophobicContact CG1-CG2 4.45Å; V15-L73 HydrophobicContact CB-CB 4.15Å; V15-L73 HydrophobicContact CB-CD1 4.42Å; V15-L73 PolarHBondContact N-O 3.3Å; V15-L73 PolarHBondContact O-N 3.23Å; V15-F75 HydrophobicContact CG2-CD2 3.82Å; V15-F75 HydrophobicContact CG2-CE2 4.05Å |
| 16 | L | 97.7 | Very high | 96.1 | Very high | 59 Ų | 59 | 65.8 Ų | 65.8 | 31% | 0.309 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 142.3 | -178.7 | -57.4 | 177.5 | 0 | 0 | 0 | 108.8 | I14 I20 I26 G71 V72 L166 | I14-L16 HydrophobicContact CG2-CD1 4.47Å; I14-L16 HydrophobicContact CG2-CD2 3.61Å; I14-L16 HydrophobicContact CG2-CG 3.85Å; L16-I20 HydrophobicContact CD1-CD1 4.39Å; L16-I26 HydrophobicContact CD1-CD1 4.36Å; L16-G71 WeakPolarHBondContact CA-O 3.14Å; L16-V72 HydrophobicContact CD2-CB 4.24Å; L16-V72 HydrophobicContact CD2-CG1 3.83Å; L16-V72 HydrophobicContact CD2-CG2 3.93Å; L16-L166 HydrophobicContact CD2-CD1 3.9Å |
| 17 | D | 96.2 | Very high | 96.2 | Very high | 50 Ų | 50 | 67.6 Ų | 67.6 | 27% | 0.267 | 37% | 0.371 | S | S | . | . | trans | -64.7 | 154 | 163.7 | -74.3 | -12.5 | 0 | 0 | 0 | 110.2 | D19 I20 G71 H168 | D17-D19 VanDerWaalsContact C-N 3.26Å; D17-D19 WeakPolarHBondContact CB-OD1 3.37Å; D17-D19 PolarHBondContact O-N 3.31Å; D17-I20 HydrophobicContact CB-CG2 4.29Å; D17-I20 VanDerWaalsContact O-CG1 3.24Å; D17-I20 WeakPolarHBondContact O-CG1 3.21Å; D17-I20 WeakPolarHBondContact O-CG2 3.29Å; D17-G71 PolarHBondContact N-O 3.06Å; D17-G71 WeakPolarHBondContact OD2-CA 3.15Å; D17-H168 IonicContact OD2-CE1 2.66Å; D17-H168 PolarHBondContact OD2-CE1 3.21Å; D17-H168 IonicContact OD2-NE2 3.71Å; D17-H168 PolarHBondContact OD2-NE2 3.26Å; D17-H168 VanDerWaalsContact OD2-NE2 3.14Å | ||
| 18 | I | 93.5 | Very high | 96.3 | Very high | 178 Ų | 178 | 67 Ų | 67 | 91% | 0.913 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -77.7 | -14.4 | -176.3 | 60.8 | 169.2 | 0 | 0 | 0 | 113.1 | I20 | I18-I20 VanDerWaalsContact C-N 3.34Å; I18-I20 PolarHBondContact O-N 3.41Å |
| 19 | D | 93.8 | Very high | 96.5 | Very high | 35 Ų | 35 | 59.9 Ų | 59.9 | 19% | 0.187 | 32% | 0.324 | C | S | . | . | S | Bend | trans | -101.6 | 49.3 | -176.7 | 66.6 | -23.2 | 0 | 0 | 0 | 110.8 | D17 H168 I169 K174 | D17-D19 VanDerWaalsContact C-N 3.26Å; D17-D19 WeakPolarHBondContact CB-OD1 3.37Å; D17-D19 PolarHBondContact O-N 3.31Å; D19-H168 IonicContact OD1-CD2 3.14Å; D19-H168 PolarHBondContact OD1-CD2 3.21Å; D19-H168 VanDerWaalsContact OD1-CD2 3.27Å; D19-H168 IonicContact OD1-NE2 3.06Å; D19-H168 PolarHBondContact OD1-NE2 3.23Å; D19-H168 IonicContact OD2-CD2 3.27Å; D19-H168 IonicContact OD2-NE2 3.28Å; D19-I169 HydrophobicContact CB-CG2 3.86Å; D19-I169 WeakPolarHBondContact O-CG2 3Å; D19-I169 PolarHBondContact O-N 2.76Å; D19-K174 IonicContact OD2-NZ 3.18Å; D19-K174 PolarHBondContact OD2-NZ 3.07Å |
| 20 | I | 94.7 | Very high | 96.5 | Very high | 46 Ų | 46 | 59.1 Ų | 59.1 | 24% | 0.236 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 155 | 179.3 | 65.3 | 93.7 | 0 | 0 | 0 | 111.7 | L16 D17 I18 L22 L166 I167 H168 | L16-I20 HydrophobicContact CD1-CD1 4.39Å; D17-I20 HydrophobicContact CB-CG2 4.29Å; D17-I20 VanDerWaalsContact O-CG1 3.24Å; D17-I20 WeakPolarHBondContact O-CG1 3.21Å; D17-I20 WeakPolarHBondContact O-CG2 3.29Å; I18-I20 VanDerWaalsContact C-N 3.34Å; I18-I20 PolarHBondContact O-N 3.41Å; I20-L22 HydrophobicContact CD1-CB 4.34Å; I20-L166 HydrophobicContact CB-CD1 4.47Å; I20-L166 HydrophobicContact CB-CD2 3.97Å; I20-L166 HydrophobicContact CB-CG 4.2Å; I20-L166 HydrophobicContact CD1-CD1 4.21Å; I20-L166 HydrophobicContact CD1-CG 4.43Å; I20-L166 HydrophobicContact CG2-CD2 3.83Å; I20-I167 CarbonylContact C-O 3.56Å; I20-I167 VanDerWaalsContact CA-O 3.26Å; I20-I167 WeakPolarHBondContact CA-O 3.49Å; I20-H168 HydrophobicContact CG2-CB 4.31Å |
| 21 | L | 94.8 | Very high | 96.6 | Very high | 13 Ų | 13 | 59.4 Ų | 59.4 | 7% | 0.068 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 119.4 | 167.6 | -174.4 | 147.8 | 0 | 0 | 0 | 109 | N23 W146 L166 I167 F204 V207 Y211 | L21-N23 WeakPolarHBondContact CD2-OD1 3.44Å; L21-W146 HydrophobicContact CD2-CH2 4.48Å; L21-W146 HydrophobicContact CD2-CZ2 4.17Å; L21-L166 WeakPolarHBondContact O-CA 3.07Å; L21-I167 PolarHBondContact N-O 3.38Å; L21-I167 PolarHBondContact O-N 3.19Å; L21-F204 HydrophobicContact CB-CD2 4.03Å; L21-F204 HydrophobicContact CB-CE2 3.36Å; L21-F204 HydrophobicContact CB-CZ 4.06Å; L21-F204 HydrophobicContact CD1-CD2 4.32Å; L21-F204 HydrophobicContact CD1-CE2 4.15Å; L21-F204 HydrophobicContact CG-CE2 4.37Å; L21-V207 HydrophobicContact CD1-CB 4.26Å; L21-V207 HydrophobicContact CD1-CG1 3.75Å; L21-V207 HydrophobicContact CD2-CG1 4.4Å; L21-Y211 HydrophobicContact CD1-CD2 4.24Å; L21-Y211 HydrophobicContact CD1-CE2 4.24Å |
| 22 | L | 95.4 | Very high | 96.6 | Very high | 63 Ų | 63 | 58.6 Ų | 58.6 | 33% | 0.33 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 120.8 | 179.8 | -175.1 | 68.9 | 0 | 0 | 0 | 109.9 | I20 T24 I26 W129 L166 | I20-L22 HydrophobicContact CD1-CB 4.34Å; L22-T24 WeakPolarHBondContact CD2-O 3.17Å; L22-T24 WeakPolarHBondContact CG-O 3.25Å; L22-I26 HydrophobicContact CD1-CD1 4.18Å; L22-I26 HydrophobicContact CD2-CB 3.95Å; L22-I26 HydrophobicContact CD2-CD1 4.41Å; L22-W129 HydrophobicContact CD1-CZ3 4.01Å; L22-L166 HydrophobicContact CD1-CB 4.37Å; L22-L166 HydrophobicContact CD1-CD1 4.42Å |
| 23 | N | 93.8 | Very high | 96.7 | Very high | 54 Ų | 54 | 56.9 Ų | 56.9 | 29% | 0.289 | 29% | 0.29 | S | S | . | . | trans | -102.7 | -3.7 | -177.1 | -78.2 | -40.7 | 0 | 0 | 0 | 113.8 | L21 W146 P164 K165 I167 | L21-N23 WeakPolarHBondContact CD2-OD1 3.44Å; N23-W146 WeakPolarHBondContact ND2-CZ2 3.47Å; N23-W146 PolarHBondContact ND2-NE1 3.33Å; N23-P164 VanDerWaalsContact CB-O 3.24Å; N23-P164 WeakPolarHBondContact CB-O 3.4Å; N23-P164 PolarHBondContact ND2-O 3.24Å; N23-K165 PolarHBondContact N-O 3.38Å; N23-I167 WeakPolarHBondContact ND2-CD1 3.47Å | ||
| 24 | T | 94.6 | Very high | 96.6 | Very high | 45 Ų | 45 | 61.1 Ų | 61.1 | 28% | 0.276 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -145.9 | 174.7 | -179 | -155 | 0 | 0 | 0 | 0 | 110.9 | L22 I26 E28 W129 K165 | L22-T24 WeakPolarHBondContact CD2-O 3.17Å; L22-T24 WeakPolarHBondContact CG-O 3.25Å; T24-I26 PolarHBondContact O-N 3.21Å; T24-E28 PolarHBondContact OG1-OE1 2.98Å; T24-W129 HydrophobicContact CG2-CH2 3.41Å; T24-W129 VanDerWaalsContact CG2-CH2 3.41Å; T24-W129 HydrophobicContact CG2-CZ2 4.14Å; T24-W129 HydrophobicContact CG2-CZ3 3.88Å; T24-K165 HydrophobicContact CG2-CB 3.75Å; T24-K165 HydrophobicContact CG2-CD 3.98Å; T24-K165 HydrophobicContact CG2-CG 3.88Å |
| 25 | D | 95.8 | Very high | 96.6 | Very high | 97 Ų | 97 | 66.9 Ų | 66.9 | 52% | 0.519 | 33% | 0.332 | S | S | . | . | trans | -66 | 126.9 | 177.6 | -166.2 | -27.5 | 0 | 0 | 0 | 111.5 | I27 E28 | D25-I27 HydrophobicContact CB-CG2 4.02Å; D25-I27 PolarHBondContact O-N 2.95Å; D25-I27 VanDerWaalsContact O-N 3.14Å; D25-I27 WeakPolarHBondContact OD1-CB 3.38Å; D25-I27 WeakPolarHBondContact OD1-CG2 3.48Å; D25-I27 PolarHBondContact OD1-N 3.16Å; D25-E28 WeakPolarHBondContact O-CB 3.42Å; D25-E28 PolarHBondContact O-N 3.13Å; D25-E28 VanDerWaalsContact O-N 3.1Å | ||
| 26 | I | 96.9 | Very high | 96.7 | Very high | 60 Ų | 60 | 65.3 Ų | 65.3 | 31% | 0.308 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -21.3 | 178.8 | -165.2 | 61.6 | 0 | 0 | 0 | 112.5 | I14 L16 L22 T24 E28 L29 W30 | I14-I26 HydrophobicContact CD1-CD1 4.43Å; I14-I26 HydrophobicContact CD1-CG1 4.28Å; L16-I26 HydrophobicContact CD1-CD1 4.36Å; L22-I26 HydrophobicContact CD1-CD1 4.18Å; L22-I26 HydrophobicContact CD2-CB 3.95Å; L22-I26 HydrophobicContact CD2-CD1 4.41Å; T24-I26 PolarHBondContact O-N 3.21Å; I26-E28 PolarHBondContact O-N 2.76Å; I26-L29 HydrophobicContact CD1-CB 4.06Å; I26-L29 HydrophobicContact CD1-CD2 3.84Å; I26-L29 WeakPolarHBondContact O-CB 3.19Å; I26-L29 PolarHBondContact O-N 2.84Å; I26-W30 PolarHBondContact O-N 3.26Å |
| 27 | I | 98 | Very high | 96.6 | Very high | 89 Ų | 89 | 66.3 Ų | 66.3 | 46% | 0.456 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -59.7 | -31.7 | 175.6 | -157.8 | 168.1 | 0 | 0 | 0 | 111.9 | D25 L29 W30 N31 | D25-I27 HydrophobicContact CB-CG2 4.02Å; D25-I27 PolarHBondContact O-N 2.95Å; D25-I27 VanDerWaalsContact O-N 3.14Å; D25-I27 WeakPolarHBondContact OD1-CB 3.38Å; D25-I27 WeakPolarHBondContact OD1-CG2 3.48Å; D25-I27 PolarHBondContact OD1-N 3.16Å; I27-L29 VanDerWaalsContact C-N 3.26Å; I27-L29 PolarHBondContact O-N 2.84Å; I27-W30 WeakPolarHBondContact O-CB 3.45Å; I27-W30 PolarHBondContact O-N 3.44Å; I27-N31 PolarHBondContact O-N 3.02Å; I27-N31 PolarHBondContact O-ND2 3.34Å; I27-N31 PolarHBondContact O-OD1 2.95Å |
| 28 | E | 98.2 | Very high | 96.5 | Very high | 66 Ų | 66 | 67.3 Ų | 67.3 | 31% | 0.308 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -63.6 | -34.8 | 175.8 | -67.7 | -175.9 | -116.6 | 0 | 0 | 111.6 | T24 D25 I26 Y32 W129 K165 | T24-E28 PolarHBondContact OG1-OE1 2.98Å; D25-E28 WeakPolarHBondContact O-CB 3.42Å; D25-E28 PolarHBondContact O-N 3.13Å; D25-E28 VanDerWaalsContact O-N 3.1Å; I26-E28 PolarHBondContact O-N 2.76Å; E28-Y32 WeakPolarHBondContact O-CD2 3.47Å; E28-Y32 VanDerWaalsContact O-CE2 3.31Å; E28-Y32 WeakPolarHBondContact O-CE2 3.28Å; E28-W129 HydrophobicContact CB-CH2 3.83Å; E28-W129 HydrophobicContact CB-CZ2 3.52Å; E28-K165 IonicContact OE2-NZ 3.36Å; E28-K165 PolarHBondContact OE2-NZ 2.94Å |
| 29 | L | 98.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -71.7 | -43.3 | 173.7 | -174.6 | 56.3 | 0 | 0 | 0 | 110.6 | I14 I26 I27 N31 Y32 V72 L74 I125 W129 | I14-L29 HydrophobicContact CD1-CB 4.34Å; I14-L29 HydrophobicContact CD1-CD2 4.19Å; I14-L29 HydrophobicContact CD1-CG 4.09Å; I14-L29 HydrophobicContact CG2-CD2 4.11Å; I26-L29 HydrophobicContact CD1-CB 4.06Å; I26-L29 HydrophobicContact CD1-CD2 3.84Å; I26-L29 WeakPolarHBondContact O-CB 3.19Å; I26-L29 PolarHBondContact O-N 2.84Å; I27-L29 VanDerWaalsContact C-N 3.26Å; I27-L29 PolarHBondContact O-N 2.84Å; L29-N31 VanDerWaalsContact C-N 3.25Å; L29-N31 PolarHBondContact O-N 3.27Å; L29-Y32 HydrophobicContact CD1-CD2 4.34Å; L29-Y32 WeakPolarHBondContact O-CB 3.31Å; L29-Y32 PolarHBondContact O-N 3.13Å; L29-V72 HydrophobicContact CD2-CG1 3.76Å; L29-L74 HydrophobicContact CD1-CD1 3.79Å; L29-L74 HydrophobicContact CD1-CD2 4.32Å; L29-L74 HydrophobicContact CD2-CD1 4.09Å; L29-L74 HydrophobicContact CG-CD1 3.87Å; L29-I125 HydrophobicContact CD1-CD1 4.49Å; L29-W129 HydrophobicContact CB-CD2 4.1Å; L29-W129 HydrophobicContact CB-CE3 3.89Å; L29-W129 HydrophobicContact CB-CH2 3.61Å; L29-W129 HydrophobicContact CB-CZ2 3.79Å; L29-W129 HydrophobicContact CB-CZ3 3.66Å; L29-W129 HydrophobicContact CD1-CB 4.2Å; L29-W129 HydrophobicContact CD1-CD2 3.7Å; L29-W129 HydrophobicContact CD1-CE3 4.08Å; L29-W129 HydrophobicContact CD1-CG 3.77Å; L29-W129 HydrophobicContact CD2-CD2 4.48Å; L29-W129 HydrophobicContact CD2-CE3 4.01Å; L29-W129 HydrophobicContact CD2-CZ3 4.34Å; L29-W129 HydrophobicContact CG-CD2 4.3Å; L29-W129 HydrophobicContact CG-CE3 4.21Å; L29-W129 HydrophobicContact CG-CZ3 4.44Å; L29-W129 VanDerWaalsContact N-CZ2 3.27Å |
| 30 | W | 98.6 | Very high | 96.8 | Very high | 110 Ų | 110 | 62.5 Ų | 62.5 | 42% | 0.417 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -56.2 | -40.4 | 178 | -177.3 | -90.6 | 0 | 0 | 0 | 112.6 | K12 I14 I26 I27 Y32 F33 | K12-W30 HydrophobicContact CB-CH2 3.89Å; K12-W30 HydrophobicContact CB-CZ2 4.18Å; K12-W30 HydrophobicContact CD-CZ2 4.48Å; I14-W30 HydrophobicContact CD1-CB 4.21Å; I14-W30 HydrophobicContact CD1-CE3 3.85Å; I14-W30 HydrophobicContact CG1-CE3 3.98Å; I14-W30 HydrophobicContact CG1-CZ3 4.42Å; I26-W30 PolarHBondContact O-N 3.26Å; I27-W30 WeakPolarHBondContact O-CB 3.45Å; I27-W30 PolarHBondContact O-N 3.44Å; W30-Y32 PolarHBondContact O-N 3.47Å; W30-F33 HydrophobicContact CD2-CD2 4.27Å; W30-F33 HydrophobicContact CD2-CE2 4.46Å; W30-F33 HydrophobicContact CE3-CD2 4.38Å; W30-F33 HydrophobicContact CE3-CE2 4.1Å; W30-F33 HydrophobicContact CZ3-CE2 4.22Å; W30-F33 VanDerWaalsContact O-CD2 3.29Å; W30-F33 WeakPolarHBondContact O-CD2 3.49Å; W30-F33 PolarHBondContact O-N 2.88Å; W30-F33 VanDerWaalsContact O-N 3.12Å |
| 31 | N | 98.4 | Very high | 96.9 | Very high | 73 Ų | 73 | 60.3 Ų | 60.3 | 39% | 0.39 | 32% | 0.319 | S | S | . | . | G | 310 helix | trans | -61.7 | -17.5 | 179.1 | -67.2 | -18.9 | 0 | 0 | 0 | 113.2 | I27 L29 F33 D34 | I27-N31 PolarHBondContact O-N 3.02Å; I27-N31 PolarHBondContact O-ND2 3.34Å; I27-N31 PolarHBondContact O-OD1 2.95Å; L29-N31 VanDerWaalsContact C-N 3.25Å; L29-N31 PolarHBondContact O-N 3.27Å; N31-F33 PolarHBondContact O-N 2.96Å; N31-D34 PolarHBondContact O-N 2.87Å; N31-D34 VanDerWaalsContact O-N 3.12Å |
| 32 | Y | 98.5 | Very high | 97.1 | Very high | 42 Ų | 42 | 59.7 Ų | 59.7 | 17% | 0.165 | 32% | 0.316 | C | S | . | . | G | 310 helix | trans | -65.4 | -20.6 | 175.7 | -78.8 | -88.6 | 0 | 0 | 0 | 113.9 | E28 L29 W30 D34 Y35 F36 Y123 P126 W129 | E28-Y32 WeakPolarHBondContact O-CD2 3.47Å; E28-Y32 VanDerWaalsContact O-CE2 3.31Å; E28-Y32 WeakPolarHBondContact O-CE2 3.28Å; L29-Y32 HydrophobicContact CD1-CD2 4.34Å; L29-Y32 WeakPolarHBondContact O-CB 3.31Å; L29-Y32 PolarHBondContact O-N 3.13Å; W30-Y32 PolarHBondContact O-N 3.47Å; Y32-D34 PolarHBondContact O-N 3.3Å; Y32-Y35 AromaticContact CD1-CD2 3.8Å; Y32-Y35 HydrophobicContact CD1-CD2 3.8Å; Y32-Y35 HydrophobicContact CD1-CE2 4.26Å; Y32-Y35 HydrophobicContact CE1-CD2 4.26Å; Y32-Y35 HydrophobicContact CE1-CE2 4.38Å; Y32-Y35 HydrophobicContact CG-CD2 4.34Å; Y32-Y35 PolarHBondContact O-N 3.25Å; Y32-Y35 VanDerWaalsContact O-N 3.13Å; Y32-F36 VanDerWaalsContact O-CD1 3.27Å; Y32-F36 WeakPolarHBondContact O-CD1 3.25Å; Y32-Y123 AromaticContact CD1-CE1 3.79Å; Y32-Y123 HydrophobicContact CD1-CE1 3.79Å; Y32-Y123 AromaticContact CD1-CZ 3.94Å; Y32-Y123 VanDerWaalsContact CD1-OH 3.31Å; Y32-Y123 WeakPolarHBondContact CD1-OH 3.23Å; Y32-Y123 HydrophobicContact CG-CE1 4.45Å; Y32-P126 VanDerWaalsContact CE1-CD 3.48Å; Y32-P126 HydrophobicContact CE1-CG 3.56Å; Y32-P126 WeakPolarHBondContact OH-CG 3.41Å; Y32-W129 AromaticContact CE2-NE1 3.38Å; Y32-W129 AromaticContact CZ-NE1 4Å |
| 33 | F | 98.6 | Very high | 97.3 | Very high | 4 Ų | 4 | 56.7 Ų | 56.7 | 2% | 0.018 | 30% | 0.3 | C | S | . | . | G | 310 helix | trans | -59 | -27.3 | 172.4 | -80.4 | -65.5 | 0 | 0 | 0 | 113.3 | K12 I14 W30 N31 Y35 F36 L74 H76 | K12-F33 HydrophobicContact CB-CD1 4.36Å; K12-F33 HydrophobicContact CB-CD2 4.13Å; K12-F33 HydrophobicContact CB-CE1 4.12Å; K12-F33 HydrophobicContact CB-CE2 3.88Å; K12-F33 HydrophobicContact CB-CG 4.37Å; K12-F33 HydrophobicContact CB-CZ 3.87Å; K12-F33 HydrophobicContact CD-CB 3.73Å; K12-F33 HydrophobicContact CD-CD1 4Å; K12-F33 HydrophobicContact CD-CD2 3.9Å; K12-F33 HydrophobicContact CD-CG 3.62Å; K12-F33 HydrophobicContact CG-CD1 3.97Å; K12-F33 HydrophobicContact CG-CD2 4.31Å; K12-F33 HydrophobicContact CG-CE1 4.14Å; K12-F33 HydrophobicContact CG-CE2 4.46Å; K12-F33 HydrophobicContact CG-CG 4.07Å; K12-F33 HydrophobicContact CG-CZ 4.38Å; I14-F33 HydrophobicContact CG1-CE2 4.1Å; W30-F33 HydrophobicContact CD2-CD2 4.27Å; W30-F33 HydrophobicContact CD2-CE2 4.46Å; W30-F33 HydrophobicContact CE3-CD2 4.38Å; W30-F33 HydrophobicContact CE3-CE2 4.1Å; W30-F33 HydrophobicContact CZ3-CE2 4.22Å; W30-F33 VanDerWaalsContact O-CD2 3.29Å; W30-F33 WeakPolarHBondContact O-CD2 3.49Å; W30-F33 PolarHBondContact O-N 2.88Å; W30-F33 VanDerWaalsContact O-N 3.12Å; N31-F33 PolarHBondContact O-N 2.96Å; F33-Y35 VanDerWaalsContact C-N 3.26Å; F33-Y35 PolarHBondContact O-N 3.12Å; F33-F36 HydrophobicContact CD1-CD2 4.2Å; F33-F36 HydrophobicContact CD1-CE1 4.44Å; F33-F36 AromaticContact CD1-CE2 3.84Å; F33-F36 HydrophobicContact CD1-CE2 3.84Å; F33-F36 AromaticContact CD1-CZ 3.97Å; F33-F36 HydrophobicContact CD1-CZ 3.97Å; F33-F36 HydrophobicContact CE1-CE2 4.01Å; F33-F36 HydrophobicContact CE1-CZ 4.15Å; F33-F36 WeakPolarHBondContact O-CB 3.47Å; F33-F36 PolarHBondContact O-N 3.29Å; F33-L74 HydrophobicContact CD1-CB 4.45Å; F33-L74 HydrophobicContact CD2-CD2 4.38Å; F33-L74 HydrophobicContact CE1-CB 3.71Å; F33-L74 HydrophobicContact CE1-CG 4.37Å; F33-L74 HydrophobicContact CE2-CB 4.2Å; F33-L74 HydrophobicContact CE2-CD2 4.31Å; F33-L74 HydrophobicContact CE2-CG 4.02Å; F33-L74 HydrophobicContact CZ-CB 3.56Å; F33-L74 HydrophobicContact CZ-CD2 4.42Å; F33-L74 HydrophobicContact CZ-CG 3.9Å; F33-H76 HydrophobicContact CD1-CB 4.3Å; F33-H76 HydrophobicContact CE1-CB 4.16Å |
| 34 | D | 98 | Very high | 97.5 | Very high | 118 Ų | 118 | 54.1 Ų | 54.1 | 63% | 0.631 | 29% | 0.287 | S | S | * | . | G | 310 helix | trans | -77.6 | -16 | -178.1 | -62.3 | -18.2 | 0 | 0 | 0 | 112.2 | K12 N31 Y32 | K12-D34 IonicContact NZ-OD1 2.6Å; K12-D34 PolarHBondContact NZ-OD1 3.34Å; N31-D34 PolarHBondContact O-N 2.87Å; N31-D34 VanDerWaalsContact O-N 3.12Å; Y32-D34 PolarHBondContact O-N 3.3Å |
| 35 | Y | 98.1 | Very high | 97.6 | Very high | 154 Ų | 154 | 52 Ų | 52 | 60% | 0.604 | 27% | 0.273 | S | S | * | . | G | 310 helix | trans | -86.9 | -4.6 | 171.9 | -59.2 | -60.3 | 0 | 0 | 0 | 113.5 | Y32 F33 T37 Y123 | Y32-Y35 AromaticContact CD1-CD2 3.8Å; Y32-Y35 HydrophobicContact CD1-CD2 3.8Å; Y32-Y35 HydrophobicContact CD1-CE2 4.26Å; Y32-Y35 HydrophobicContact CE1-CD2 4.26Å; Y32-Y35 HydrophobicContact CE1-CE2 4.38Å; Y32-Y35 HydrophobicContact CG-CD2 4.34Å; Y32-Y35 PolarHBondContact O-N 3.25Å; Y32-Y35 VanDerWaalsContact O-N 3.13Å; F33-Y35 VanDerWaalsContact C-N 3.26Å; F33-Y35 PolarHBondContact O-N 3.12Å; Y35-T37 PolarHBondContact O-N 3.07Å; Y35-Y123 WeakPolarHBondContact CB-OH 3.14Å |
| 36 | F | 98.1 | Very high | 97.7 | Very high | 16 Ų | 16 | 48.9 Ų | 48.9 | 7% | 0.07 | 26% | 0.256 | C | S | . | . | trans | -69.5 | 120.1 | 178.8 | -76.7 | 25.9 | 0 | 0 | 0 | 109.8 | Y32 F33 Q40 L74 H76 K79 Y123 | Y32-F36 VanDerWaalsContact O-CD1 3.27Å; Y32-F36 WeakPolarHBondContact O-CD1 3.25Å; F33-F36 HydrophobicContact CD1-CD2 4.2Å; F33-F36 HydrophobicContact CD1-CE1 4.44Å; F33-F36 AromaticContact CD1-CE2 3.84Å; F33-F36 HydrophobicContact CD1-CE2 3.84Å; F33-F36 AromaticContact CD1-CZ 3.97Å; F33-F36 HydrophobicContact CD1-CZ 3.97Å; F33-F36 HydrophobicContact CE1-CE2 4.01Å; F33-F36 HydrophobicContact CE1-CZ 4.15Å; F33-F36 WeakPolarHBondContact O-CB 3.47Å; F33-F36 PolarHBondContact O-N 3.29Å; F36-Q40 HydrophobicContact CB-CB 4Å; F36-Q40 HydrophobicContact CD2-CB 4.23Å; F36-Q40 VanDerWaalsContact CD2-O 3.25Å; F36-Q40 WeakPolarHBondContact CD2-O 3.43Å; F36-Q40 HydrophobicContact CG-CB 4.15Å; F36-L74 HydrophobicContact CE1-CD2 4.38Å; F36-L74 HydrophobicContact CZ-CB 3.88Å; F36-L74 HydrophobicContact CZ-CD2 4.34Å; F36-H76 HydrophobicContact CD2-CB 4.13Å; F36-H76 HydrophobicContact CE2-CB 4.22Å; F36-K79 PolarHBondContact O-NZ 3.02Å; F36-Y123 AromaticContact CD1-CD1 3.98Å; F36-Y123 HydrophobicContact CD1-CD1 3.98Å; F36-Y123 AromaticContact CD1-CD2 3.5Å; F36-Y123 HydrophobicContact CD1-CD2 3.5Å; F36-Y123 HydrophobicContact CD1-CE2 4.09Å; F36-Y123 AromaticContact CD1-CG 3.45Å; F36-Y123 HydrophobicContact CD1-CG 3.45Å; F36-Y123 VanDerWaalsContact CD1-CG 3.45Å; F36-Y123 VanDerWaalsContact CE1-CB 3.45Å; F36-Y123 AromaticContact CE1-CD1 3.44Å; F36-Y123 HydrophobicContact CE1-CD1 3.44Å; F36-Y123 VanDerWaalsContact CE1-CD1 3.44Å; F36-Y123 AromaticContact CE1-CD2 3.85Å; F36-Y123 HydrophobicContact CE1-CD2 3.85Å; F36-Y123 HydrophobicContact CE1-CE1 4.14Å; F36-Y123 HydrophobicContact CE1-CE2 4.49Å; F36-Y123 AromaticContact CE1-CG 3.28Å; F36-Y123 HydrophobicContact CE1-CG 3.28Å; F36-Y123 HydrophobicContact CG-CD2 4.38Å; F36-Y123 HydrophobicContact CG-CG 4.44Å; F36-Y123 HydrophobicContact CZ-CD1 4.32Å; F36-Y123 HydrophobicContact CZ-CG 4.13Å | ||
| 37 | T | 95.9 | Very high | 97.8 | Very high | 79 Ų | 79 | 46.4 Ų | 46.4 | 49% | 0.485 | 24% | 0.244 | S | C | . | . | trans | -59.6 | 170.3 | 169.1 | 63.3 | 0 | 0 | 0 | 0 | 111.5 | Y35 T39 Q40 K79 | Y35-T37 PolarHBondContact O-N 3.07Å; T37-T39 PolarHBondContact O-N 2.95Å; T37-Q40 PolarHBondContact O-N 3.22Å; T37-Q40 VanDerWaalsContact O-N 3.15Å; T37-Q40 WeakPolarHBondContact OG1-CG 3.47Å; T37-Q40 PolarHBondContact OG1-OE1 3.34Å; T37-K79 PolarHBondContact O-NZ 3.02Å | ||
| 38 | G | 94.1 | Very high | 97.7 | Very high | 71 Ų | 71 | 42.5 Ų | 42.5 | 73% | 0.732 | 22% | 0.223 | S | C | * | . | S | Bend | trans | -49.3 | -38.4 | -172.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 39 | T | 95.7 | Very high | 97.6 | Very high | 77 Ų | 77 | 40.5 Ų | 40.5 | 47% | 0.472 | 22% | 0.215 | S | C | . | . | S | Bend | trans | -97.8 | -21.4 | -177.3 | 59.7 | 0 | 0 | 0 | 0 | 114.7 | T37 S41 H120 | T37-T39 PolarHBondContact O-N 2.95Å; T39-S41 PolarHBondContact O-N 3.08Å; T39-H120 CarbonylContact C-O 3.37Å; T39-H120 PolarHBondContact OG1-O 2.87Å |
| 40 | Q | 98.2 | Very high | 97.5 | Very high | 36 Ų | 36 | 43 Ų | 43 | 17% | 0.168 | 23% | 0.231 | C | C | . | . | trans | -64 | 129.3 | -178.7 | -77.1 | 172.8 | -41.9 | 0 | 0 | 110.2 | F36 T37 K79 H120 L122 | F36-Q40 HydrophobicContact CB-CB 4Å; F36-Q40 HydrophobicContact CD2-CB 4.23Å; F36-Q40 VanDerWaalsContact CD2-O 3.25Å; F36-Q40 WeakPolarHBondContact CD2-O 3.43Å; F36-Q40 HydrophobicContact CG-CB 4.15Å; T37-Q40 PolarHBondContact O-N 3.22Å; T37-Q40 VanDerWaalsContact O-N 3.15Å; T37-Q40 WeakPolarHBondContact OG1-CG 3.47Å; T37-Q40 PolarHBondContact OG1-OE1 3.34Å; Q40-K79 WeakPolarHBondContact O-CD 3.37Å; Q40-K79 PolarHBondContact O-NZ 3.35Å; Q40-K79 VanDerWaalsContact O-NZ 3.12Å; Q40-H120 WeakPolarHBondContact CA-O 3.48Å; Q40-H120 PolarHBondContact N-O 2.96Å; Q40-L122 VanDerWaalsContact CG-O 3.29Å; Q40-L122 WeakPolarHBondContact CG-O 3.45Å; Q40-L122 PolarHBondContact NE2-O 3.22Å | ||
| 41 | S | 97.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 23% | 0.233 | C | C | . | . | trans | -140.1 | -8.3 | -171.4 | 67.1 | 0 | 0 | 0 | 0 | 114 | T39 H76 L80 L121 | T39-S41 PolarHBondContact O-N 3.08Å; S41-H76 PolarHBondContact O-N 3.11Å; S41-L80 WeakPolarHBondContact OG-CD2 3.3Å; S41-L121 PolarHBondContact N-O 2.64Å | ||
| 42 | I | 98.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 109.6 | 179.5 | -54.1 | 179.6 | 0 | 0 | 0 | 108.6 | L74 F75 L80 W85 L111 L115 L121 Y123 | I42-L74 CarbonylContact C-O 3.34Å; I42-L74 WeakPolarHBondContact CA-O 3.36Å; I42-F75 HydrophobicContact CB-CD1 4.4Å; I42-F75 HydrophobicContact CB-CE1 4.36Å; I42-F75 HydrophobicContact CD1-CE1 4.15Å; I42-F75 HydrophobicContact CG1-CD1 3.95Å; I42-F75 HydrophobicContact CG1-CE1 3.93Å; I42-F75 HydrophobicContact CG2-CD1 4.15Å; I42-F75 HydrophobicContact CG2-CE1 3.77Å; I42-L80 HydrophobicContact CD1-CD2 4.03Å; I42-L80 HydrophobicContact CG1-CD1 4.34Å; I42-L80 HydrophobicContact CG1-CD2 3.9Å; I42-W85 HydrophobicContact CD1-CE3 4.36Å; I42-W85 HydrophobicContact CD1-CH2 3.68Å; I42-W85 HydrophobicContact CD1-CZ3 3.46Å; I42-W85 VanDerWaalsContact CD1-CZ3 3.46Å; I42-L111 HydrophobicContact CD1-CD1 3.98Å; I42-L111 HydrophobicContact CG2-CD1 4.25Å; I42-L115 HydrophobicContact CB-CD2 4.1Å; I42-L115 HydrophobicContact CD1-CD2 4.04Å; I42-L115 HydrophobicContact CG2-CD1 4.47Å; I42-L115 HydrophobicContact CG2-CD2 4.27Å; I42-L121 PolarHBondContact N-O 3.17Å; I42-Y123 PolarHBondContact O-N 3.4Å |
| 43 | G | 98.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 132.1 | 166.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | L73 L74 Y123 | G43-L73 CarbonylContact O-C 3.57Å; G43-L73 VanDerWaalsContact O-CA 3.3Å; G43-L73 WeakPolarHBondContact O-CA 3.23Å; G43-L74 PolarHBondContact N-O 2.87Å; G43-L74 PolarHBondContact O-N 3.12Å; G43-Y123 CarbonylContact C-O 3.4Å; G43-Y123 WeakPolarHBondContact CA-O 3.31Å |
| 44 | I | 98.7 | Very high | 97 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 149.2 | -179.9 | -172.4 | 171.8 | 0 | 0 | 0 | 110.8 | Y68 N69 N70 L73 L111 L115 L122 Y123 I125 | I44-Y68 VanDerWaalsContact CD1-CB 3.43Å; I44-Y68 HydrophobicContact CD1-CG 4.44Å; I44-Y68 HydrophobicContact CG2-CD1 3.71Å; I44-Y68 HydrophobicContact CG2-CD2 4.43Å; I44-Y68 HydrophobicContact CG2-CE1 4.44Å; I44-Y68 HydrophobicContact CG2-CG 3.73Å; I44-N69 WeakPolarHBondContact CD1-O 3.31Å; I44-N69 WeakPolarHBondContact CG1-O 3.35Å; I44-N70 HydrophobicContact CD1-CB 4.37Å; I44-L73 HydrophobicContact CB-CD2 3.93Å; I44-L73 HydrophobicContact CD1-CD2 3.61Å; I44-L73 HydrophobicContact CG1-CD2 3.7Å; I44-L111 HydrophobicContact CD1-CD2 3.57Å; I44-L111 HydrophobicContact CD1-CG 4.38Å; I44-L115 HydrophobicContact CG2-CD1 3.83Å; I44-L122 HydrophobicContact CG2-CD1 3.52Å; I44-Y123 PolarHBondContact N-O 3.45Å; I44-I125 PolarHBondContact O-N 2.93Å |
| 45 | G | 97.5 | Very high | 96.9 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 150.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | E47 Y68 N69 | G45-E47 PolarHBondContact O-N 3.04Å; G45-Y68 CarbonylContact O-C 3.53Å; G45-Y68 VanDerWaalsContact O-CA 3.31Å; G45-Y68 WeakPolarHBondContact O-CA 3.48Å; G45-Y68 WeakPolarHBondContact O-CB 3.41Å; G45-N69 PolarHBondContact O-N 3.39Å |
| 46 | L | 97.5 | Very high | 96.8 | Very high | 31 Ų | 31 | 32.9 Ų | 32.9 | 16% | 0.162 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -57 | 135.5 | 173 | -70.9 | 171.5 | 0 | 0 | 0 | 111.1 | Y68 E124 Q132 | L46-Y68 HydrophobicContact CD2-CD1 4.31Å; L46-Y68 HydrophobicContact CD2-CE1 3.91Å; L46-E124 HydrophobicContact CD2-CG 4.32Å; L46-E124 VanDerWaalsContact CD2-OE2 3.31Å; L46-E124 WeakPolarHBondContact CD2-OE2 3.1Å; L46-E124 HydrophobicContact CG-CG 4.15Å; L46-Q132 PolarHBondContact O-NE2 2.82Å |
| 47 | E | 98 | Very high | 96.8 | Very high | 8 Ų | 8 | 34.9 Ų | 34.9 | 4% | 0.037 | 20% | 0.203 | C | C | . | . | P | Polyproline II helix | trans | -67.5 | 134.2 | 164.6 | 174.6 | 56.3 | -109.5 | 0 | 0 | 108.5 | G45 N49 F52 Y66 G67 N69 Q108 Q132 R141 | G45-E47 PolarHBondContact O-N 3.04Å; E47-N49 VanDerWaalsContact OE1-CB 3.23Å; E47-N49 WeakPolarHBondContact OE1-CB 3.45Å; E47-N49 PolarHBondContact OE1-N 2.93Å; E47-F52 HydrophobicContact CG-CB 3.65Å; E47-F52 HydrophobicContact CG-CD1 4.19Å; E47-F52 HydrophobicContact CG-CG 4.06Å; E47-Y66 WeakPolarHBondContact CB-O 3.07Å; E47-Y66 VanDerWaalsContact CG-O 3.23Å; E47-Y66 WeakPolarHBondContact CG-O 3.27Å; E47-G67 WeakPolarHBondContact CB-O 3.48Å; E47-G67 PolarHBondContact N-O 3.15Å; E47-N69 HydrophobicContact CB-CB 4.33Å; E47-N69 PolarHBondContact OE2-ND2 2.86Å; E47-Q108 PolarHBondContact OE2-NE2 3.44Å; E47-Q132 PolarHBondContact OE1-OE1 3.32Å; E47-R141 VanDerWaalsContact O-CD 3.28Å; E47-R141 WeakPolarHBondContact O-CD 3.44Å; E47-R141 PolarHBondContact O-NE 3.38Å |
| 48 | Q | 97.1 | Very high | 96.7 | Very high | 7 Ų | 7 | 36.5 Ų | 36.5 | 3% | 0.033 | 20% | 0.203 | C | C | . | . | trans | -101.7 | -13.3 | -176 | -58.8 | -171.9 | 31.4 | 0 | 0 | 112 | N130 Q132 S137 D138 R141 | Q48-N130 PolarHBondContact NE2-O 3.08Å; Q48-Q132 HydrophobicContact CB-CB 4.26Å; Q48-Q132 HydrophobicContact CG-CB 4.38Å; Q48-S137 WeakPolarHBondContact O-CA 3.23Å; Q48-D138 PolarHBondContact O-N 3.27Å; Q48-R141 HydrophobicContact CB-CB 4.46Å; Q48-R141 HydrophobicContact CG-CB 4.41Å; Q48-R141 HydrophobicContact CG-CG 4.39Å | ||
| 49 | N | 95.8 | Very high | 96.8 | Very high | 25 Ų | 25 | 33.7 Ų | 33.7 | 13% | 0.134 | 17% | 0.171 | C | C | . | . | trans | -92 | 119.2 | 178.4 | -161.6 | -40.5 | 0 | 0 | 0 | 112.2 | E47 H51 F52 S134 E135 | E47-N49 VanDerWaalsContact OE1-CB 3.23Å; E47-N49 WeakPolarHBondContact OE1-CB 3.45Å; E47-N49 PolarHBondContact OE1-N 2.93Å; N49-H51 PolarHBondContact O-N 3.48Å; N49-H51 VanDerWaalsContact O-N 3.17Å; N49-H51 VanDerWaalsContact OD1-CB 3.24Å; N49-H51 WeakPolarHBondContact OD1-CB 3.36Å; N49-H51 PolarHBondContact OD1-N 3.12Å; N49-F52 PolarHBondContact O-N 2.83Å; N49-S134 PolarHBondContact ND2-OG 2.96Å; N49-E135 PolarHBondContact ND2-O 3.12Å | ||
| 50 | P | 95.5 | Very high | 96.8 | Very high | 51 Ų | 51 | 31.8 Ų | 31.8 | 33% | 0.331 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -26.2 | 177.7 | 21 | -30.5 | 0 | 0 | 0 | 113.8 | F52 Q53 Y66 G136 | P50-F52 PolarHBondContact O-N 3Å; P50-F52 VanDerWaalsContact O-N 3.16Å; P50-Q53 VanDerWaalsContact O-CB 3.27Å; P50-Q53 WeakPolarHBondContact O-CB 3.45Å; P50-Q53 PolarHBondContact O-N 3.14Å; P50-Y66 HydrophobicContact CB-CD1 4.16Å; P50-Y66 HydrophobicContact CB-CD2 4.44Å; P50-Y66 HydrophobicContact CB-CE1 3.61Å; P50-Y66 HydrophobicContact CB-CE2 3.92Å; P50-Y66 VanDerWaalsContact CB-CZ 3.49Å; P50-Y66 HydrophobicContact CG-CE2 4.37Å; P50-G136 WeakPolarHBondContact CD-O 3.27Å |
| 51 | H | 94.5 | Very high | 96.7 | Very high | 98 Ų | 98 | 34.3 Ų | 34.3 | 45% | 0.454 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -60.1 | -28.4 | -177.9 | -174 | 59.8 | 0 | 0 | 0 | 112.6 | N49 Q53 E54 V55 | N49-H51 PolarHBondContact O-N 3.48Å; N49-H51 VanDerWaalsContact O-N 3.17Å; N49-H51 VanDerWaalsContact OD1-CB 3.24Å; N49-H51 WeakPolarHBondContact OD1-CB 3.36Å; N49-H51 PolarHBondContact OD1-N 3.12Å; H51-Q53 PolarHBondContact O-N 2.92Å; H51-E54 IonicContact CE1-OE2 2.77Å; H51-E54 PolarHBondContact CE1-OE2 2.7Å; H51-E54 IonicContact ND1-OE1 3.07Å; H51-E54 IonicContact ND1-OE2 3.18Å; H51-E54 PolarHBondContact ND1-OE2 2.72Å; H51-E54 WeakPolarHBondContact O-CB 3.17Å; H51-E54 PolarHBondContact O-N 3.47Å; H51-V55 PolarHBondContact O-N 2.77Å |
| 52 | F | 96.2 | Very high | 96.5 | Very high | 8 Ų | 8 | 39.9 Ų | 39.9 | 4% | 0.035 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -62.5 | -25.8 | 177.7 | -166.9 | -108.6 | 0 | 0 | 0 | 113 | E47 N49 P50 E54 V55 M56 Y66 T105 Q108 N112 | E47-F52 HydrophobicContact CG-CB 3.65Å; E47-F52 HydrophobicContact CG-CD1 4.19Å; E47-F52 HydrophobicContact CG-CG 4.06Å; N49-F52 PolarHBondContact O-N 2.83Å; P50-F52 PolarHBondContact O-N 3Å; P50-F52 VanDerWaalsContact O-N 3.16Å; F52-E54 PolarHBondContact O-N 2.85Å; F52-V55 HydrophobicContact CD2-CB 4.08Å; F52-V55 HydrophobicContact CD2-CG1 4.31Å; F52-V55 HydrophobicContact CD2-CG2 4.34Å; F52-V55 HydrophobicContact CE2-CB 4.24Å; F52-V55 HydrophobicContact CE2-CG1 3.98Å; F52-V55 WeakPolarHBondContact O-CB 3.39Å; F52-V55 PolarHBondContact O-N 2.91Å; F52-M56 HydrophobicContact CD1-CG 3.66Å; F52-M56 HydrophobicContact CD1-SD 4.45Å; F52-M56 HydrophobicContact CE1-CG 3.29Å; F52-M56 HydrophobicContact CE1-SD 3.56Å; F52-M56 VanDerWaalsContact CE1-SD 3.56Å; F52-M56 HydrophobicContact CE2-CG 4.31Å; F52-M56 HydrophobicContact CE2-SD 4.09Å; F52-M56 HydrophobicContact CG-CG 4.42Å; F52-M56 HydrophobicContact CZ-CG 3.65Å; F52-M56 HydrophobicContact CZ-SD 3.33Å; F52-M56 WeakPolarHBondContact CZ-SD 3.29Å; F52-M56 WeakPolarHBondContact O-CG 3.43Å; F52-M56 PolarHBondContact O-N 3.49Å; F52-Y66 WeakPolarHBondContact CD1-O 3.45Å; F52-T105 HydrophobicContact CD2-CG2 3.89Å; F52-T105 HydrophobicContact CE2-CG2 3.67Å; F52-T105 WeakPolarHBondContact CE2-OG1 3.25Å; F52-Q108 HydrophobicContact CE1-CG 4.37Å; F52-Q108 HydrophobicContact CE2-CG 4.04Å; F52-Q108 VanDerWaalsContact CE2-NE2 3.32Å; F52-Q108 HydrophobicContact CZ-CG 3.68Å; F52-N112 HydrophobicContact CE1-CB 4.12Å; F52-N112 HydrophobicContact CZ-CB 4.36Å |
| 53 | Q | 96.8 | Very high | 96.5 | Very high | 71 Ų | 71 | 40.6 Ų | 40.6 | 33% | 0.332 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -60 | -37 | 172.6 | -176.2 | 173.6 | -35.1 | 0 | 0 | 111.8 | P50 H51 M56 T57 G65 | P50-Q53 VanDerWaalsContact O-CB 3.27Å; P50-Q53 WeakPolarHBondContact O-CB 3.45Å; P50-Q53 PolarHBondContact O-N 3.14Å; H51-Q53 PolarHBondContact O-N 2.92Å; Q53-M56 PolarHBondContact O-N 3.27Å; Q53-T57 WeakPolarHBondContact O-CB 3.26Å; Q53-T57 PolarHBondContact O-N 3.37Å; Q53-T57 PolarHBondContact O-OG1 2.76Å; Q53-G65 WeakPolarHBondContact CB-O 3.31Å; Q53-G65 WeakPolarHBondContact CG-O 3.31Å |
| 54 | E | 95.6 | Very high | 96.3 | Very high | 110 Ų | 110 | 49.1 Ų | 49.1 | 51% | 0.514 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -67.9 | -39.9 | 177.6 | -62.3 | 176 | -161.5 | 0 | 0 | 111.5 | H51 F52 T57 K58 | H51-E54 IonicContact CE1-OE2 2.77Å; H51-E54 PolarHBondContact CE1-OE2 2.7Å; H51-E54 IonicContact ND1-OE1 3.07Å; H51-E54 IonicContact ND1-OE2 3.18Å; H51-E54 PolarHBondContact ND1-OE2 2.72Å; H51-E54 WeakPolarHBondContact O-CB 3.17Å; H51-E54 PolarHBondContact O-N 3.47Å; F52-E54 PolarHBondContact O-N 2.85Å; E54-T57 PolarHBondContact O-N 3.19Å; E54-K58 WeakPolarHBondContact O-CG 3.43Å; E54-K58 PolarHBondContact O-N 3.39Å |
| 55 | V | 95.7 | Very high | 96.1 | Very high | 2 Ų | 2 | 50.4 Ų | 50.4 | 1% | 0.012 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -56.5 | -53.2 | 173.3 | 173.7 | 0 | 0 | 0 | 0 | 109.9 | H51 F52 T57 K58 I104 D109 | H51-V55 PolarHBondContact O-N 2.77Å; F52-V55 HydrophobicContact CD2-CB 4.08Å; F52-V55 HydrophobicContact CD2-CG1 4.31Å; F52-V55 HydrophobicContact CD2-CG2 4.34Å; F52-V55 HydrophobicContact CE2-CB 4.24Å; F52-V55 HydrophobicContact CE2-CG1 3.98Å; F52-V55 WeakPolarHBondContact O-CB 3.39Å; F52-V55 PolarHBondContact O-N 2.91Å; V55-T57 VanDerWaalsContact C-N 3.34Å; V55-T57 PolarHBondContact O-N 2.78Å; V55-K58 WeakPolarHBondContact O-CB 3.39Å; V55-K58 PolarHBondContact O-N 3.18Å; V55-I104 HydrophobicContact CB-CD1 4.34Å; V55-I104 HydrophobicContact CG1-CB 3.8Å; V55-I104 HydrophobicContact CG1-CD1 4.06Å; V55-I104 HydrophobicContact CG1-CG1 4.37Å; V55-I104 HydrophobicContact CG1-CG2 4.33Å; V55-I104 HydrophobicContact CG2-CB 4.15Å; V55-I104 HydrophobicContact CG2-CD1 3.93Å; V55-I104 HydrophobicContact CG2-CG2 3.79Å; V55-D109 WeakPolarHBondContact CG1-OD1 3.37Å |
| 56 | M | 97.7 | Very high | 96.1 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -70.5 | -29.8 | -175.6 | -63 | -52.8 | -60.7 | 0 | 0 | 113.4 | F52 Q53 K58 L59 N60 W63 N112 L113 | F52-M56 HydrophobicContact CD1-CG 3.66Å; F52-M56 HydrophobicContact CD1-SD 4.45Å; F52-M56 HydrophobicContact CE1-CG 3.29Å; F52-M56 HydrophobicContact CE1-SD 3.56Å; F52-M56 VanDerWaalsContact CE1-SD 3.56Å; F52-M56 HydrophobicContact CE2-CG 4.31Å; F52-M56 HydrophobicContact CE2-SD 4.09Å; F52-M56 HydrophobicContact CG-CG 4.42Å; F52-M56 HydrophobicContact CZ-CG 3.65Å; F52-M56 HydrophobicContact CZ-SD 3.33Å; F52-M56 WeakPolarHBondContact CZ-SD 3.29Å; F52-M56 WeakPolarHBondContact O-CG 3.43Å; F52-M56 PolarHBondContact O-N 3.49Å; Q53-M56 PolarHBondContact O-N 3.27Å; M56-K58 VanDerWaalsContact C-N 3.25Å; M56-K58 PolarHBondContact O-N 2.79Å; M56-L59 PolarHBondContact O-N 3.27Å; M56-L59 VanDerWaalsContact O-N 3.16Å; M56-L59 HydrophobicContact SD-CD1 4.31Å; M56-N60 PolarHBondContact O-N 3.1Å; M56-W63 HydrophobicContact CB-CB 4.16Å; M56-W63 VanDerWaalsContact CB-CD1 3.4Å; M56-W63 HydrophobicContact CB-CD2 3.36Å; M56-W63 VanDerWaalsContact CB-CE2 3.43Å; M56-W63 HydrophobicContact CB-CE3 3.98Å; M56-W63 HydrophobicContact CB-CG 3.38Å; M56-W63 HydrophobicContact CB-CZ2 4.15Å; M56-W63 HydrophobicContact CE-CD2 4.24Å; M56-W63 HydrophobicContact CE-CE3 3.76Å; M56-W63 HydrophobicContact CE-CH2 3.74Å; M56-W63 HydrophobicContact CE-CZ2 4.17Å; M56-W63 HydrophobicContact CE-CZ3 3.46Å; M56-W63 VanDerWaalsContact CE-CZ3 3.46Å; M56-W63 HydrophobicContact CG-CD2 4.02Å; M56-W63 HydrophobicContact CG-CE3 4.49Å; M56-W63 HydrophobicContact CG-CG 4.44Å; M56-W63 HydrophobicContact CG-CH2 4.4Å; M56-W63 HydrophobicContact CG-CZ2 3.87Å; M56-N112 HydrophobicContact CE-CB 3.61Å; M56-N112 HydrophobicContact SD-CB 4.03Å; M56-L113 HydrophobicContact CE-CD2 3.73Å; M56-L113 HydrophobicContact CE-CG 3.78Å |
| 57 | T | 96.7 | Very high | 96.1 | Very high | 59 Ų | 59 | 51.3 Ų | 51.3 | 36% | 0.362 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -64.2 | -31.3 | 175.3 | -58.1 | 0 | 0 | 0 | 0 | 111.8 | Q53 E54 V55 N60 | Q53-T57 WeakPolarHBondContact O-CB 3.26Å; Q53-T57 PolarHBondContact O-N 3.37Å; Q53-T57 PolarHBondContact O-OG1 2.76Å; E54-T57 PolarHBondContact O-N 3.19Å; V55-T57 VanDerWaalsContact C-N 3.34Å; V55-T57 PolarHBondContact O-N 2.78Å; T57-N60 WeakPolarHBondContact CA-O 3.45Å; T57-N60 CarbonylContact O-C 3.26Å |
| 58 | K | 95.3 | Very high | 96.1 | Very high | 112 Ų | 112 | 52.9 Ų | 52.9 | 49% | 0.487 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -66.6 | -39.8 | 173.4 | -65 | 170.6 | -174.1 | 173.7 | 0 | 111.4 | E54 V55 M56 K99 I104 | E54-K58 WeakPolarHBondContact O-CG 3.43Å; E54-K58 PolarHBondContact O-N 3.39Å; V55-K58 WeakPolarHBondContact O-CB 3.39Å; V55-K58 PolarHBondContact O-N 3.18Å; M56-K58 VanDerWaalsContact C-N 3.25Å; M56-K58 PolarHBondContact O-N 2.79Å; K58-K99 WeakPolarHBondContact O-CE 3.45Å; K58-K99 PolarHBondContact O-NZ 2.86Å; K58-I104 HydrophobicContact CD-CD1 4.26Å |
| 59 | L | 96.2 | Very high | 96.2 | Very high | 12 Ų | 12 | 52.8 Ų | 52.8 | 6% | 0.063 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -78.6 | -34 | 178.5 | -66.2 | 171.8 | 0 | 0 | 0 | 112.9 | M56 A96 K99 Q100 D109 L113 | M56-L59 PolarHBondContact O-N 3.27Å; M56-L59 VanDerWaalsContact O-N 3.16Å; M56-L59 HydrophobicContact SD-CD1 4.31Å; L59-A96 HydrophobicContact CD2-CB 4Å; L59-K99 VanDerWaalsContact C-NZ 3.32Å; L59-K99 VanDerWaalsContact O-CD 3.3Å; L59-K99 WeakPolarHBondContact O-CD 3.37Å; L59-K99 WeakPolarHBondContact O-CE 2.85Å; L59-K99 PolarHBondContact O-NZ 3.02Å; L59-Q100 HydrophobicContact CD2-CB 3.92Å; L59-D109 HydrophobicContact CD1-CB 3.74Å; L59-L113 HydrophobicContact CB-CD1 4.3Å; L59-L113 HydrophobicContact CB-CD2 4.08Å; L59-L113 HydrophobicContact CD1-CD1 4.18Å |
| 60 | N | 95.4 | Very high | 96.2 | Very high | 37 Ų | 37 | 52.4 Ų | 52.4 | 20% | 0.198 | 27% | 0.27 | C | S | . | . | trans | -143.9 | 110.5 | 178.7 | -174.7 | -17.7 | 0 | 0 | 0 | 110.4 | M56 T57 N62 W63 L113 F116 | M56-N60 PolarHBondContact O-N 3.1Å; T57-N60 WeakPolarHBondContact CA-O 3.45Å; T57-N60 CarbonylContact O-C 3.26Å; N60-N62 PolarHBondContact O-N 2.91Å; N60-N62 PolarHBondContact OD1-N 2.94Å; N60-W63 HydrophobicContact CB-CB 4.49Å; N60-W63 WeakPolarHBondContact O-CB 3.38Å; N60-W63 PolarHBondContact O-N 3.45Å; N60-L113 HydrophobicContact CB-CD2 4.16Å; N60-F116 VanDerWaalsContact ND2-CE1 3.31Å; N60-F116 WeakPolarHBondContact ND2-CE1 3.34Å | ||
| 61 | S | 94.9 | Very high | 96.3 | Very high | 89 Ų | 89 | 50 Ų | 50 | 62% | 0.622 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -16.8 | -176.3 | 57.5 | 0 | 0 | 0 | 0 | 114.1 | W63 | S61-W63 VanDerWaalsContact C-N 3.35Š|
| 62 | N | 95.4 | Very high | 96.4 | Very high | 118 Ų | 118 | 45.3 Ų | 45.3 | 63% | 0.631 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.7 | 2.7 | 177.6 | -63.1 | -29.1 | 0 | 0 | 0 | 112.7 | N60 | N60-N62 PolarHBondContact O-N 2.91Å; N60-N62 PolarHBondContact OD1-N 2.94Å |
| 63 | W | 97.1 | Very high | 96.5 | Very high | 15 Ų | 15 | 45.5 Ų | 45.5 | 6% | 0.057 | 23% | 0.234 | C | C | . | . | trans | -63.7 | 139.4 | -178.2 | -168.1 | -87.9 | 0 | 0 | 0 | 112 | M56 N60 S61 G65 N112 F116 | M56-W63 HydrophobicContact CB-CB 4.16Å; M56-W63 VanDerWaalsContact CB-CD1 3.4Å; M56-W63 HydrophobicContact CB-CD2 3.36Å; M56-W63 VanDerWaalsContact CB-CE2 3.43Å; M56-W63 HydrophobicContact CB-CE3 3.98Å; M56-W63 HydrophobicContact CB-CG 3.38Å; M56-W63 HydrophobicContact CB-CZ2 4.15Å; M56-W63 HydrophobicContact CE-CD2 4.24Å; M56-W63 HydrophobicContact CE-CE3 3.76Å; M56-W63 HydrophobicContact CE-CH2 3.74Å; M56-W63 HydrophobicContact CE-CZ2 4.17Å; M56-W63 HydrophobicContact CE-CZ3 3.46Å; M56-W63 VanDerWaalsContact CE-CZ3 3.46Å; M56-W63 HydrophobicContact CG-CD2 4.02Å; M56-W63 HydrophobicContact CG-CE3 4.49Å; M56-W63 HydrophobicContact CG-CG 4.44Å; M56-W63 HydrophobicContact CG-CH2 4.4Å; M56-W63 HydrophobicContact CG-CZ2 3.87Å; N60-W63 HydrophobicContact CB-CB 4.49Å; N60-W63 WeakPolarHBondContact O-CB 3.38Å; N60-W63 PolarHBondContact O-N 3.45Å; S61-W63 VanDerWaalsContact C-N 3.35Å; W63-G65 PolarHBondContact NE1-O 2.97Å; W63-N112 HydrophobicContact CH2-CB 3.62Å; W63-N112 WeakPolarHBondContact CH2-O 3.39Å; W63-N112 HydrophobicContact CZ2-CB 4.2Å; W63-N112 HydrophobicContact CZ3-CB 4.37Å; W63-N112 WeakPolarHBondContact CZ3-O 3.17Å; W63-F116 HydrophobicContact CD2-CD2 4.2Å; W63-F116 HydrophobicContact CD2-CE2 4.44Å; W63-F116 HydrophobicContact CE3-CB 4.09Å; W63-F116 HydrophobicContact CE3-CD1 4.47Å; W63-F116 AromaticContact CE3-CD2 3.53Å; W63-F116 HydrophobicContact CE3-CD2 3.53Å; W63-F116 HydrophobicContact CE3-CE2 4.03Å; W63-F116 AromaticContact CE3-CG 3.79Å; W63-F116 HydrophobicContact CE3-CG 3.79Å; W63-F116 HydrophobicContact CH2-CB 3.92Å; W63-F116 HydrophobicContact CH2-CD2 4.08Å; W63-F116 HydrophobicContact CH2-CG 4.34Å; W63-F116 HydrophobicContact CZ3-CB 3.3Å; W63-F116 HydrophobicContact CZ3-CD1 4.47Å; W63-F116 AromaticContact CZ3-CD2 3.49Å; W63-F116 HydrophobicContact CZ3-CD2 3.49Å; W63-F116 VanDerWaalsContact CZ3-CD2 3.49Å; W63-F116 HydrophobicContact CZ3-CE2 4.43Å; W63-F116 AromaticContact CZ3-CG 3.52Å; W63-F116 HydrophobicContact CZ3-CG 3.52Å | ||
| 64 | K | 95.2 | Very high | 96.6 | Very high | 178 Ų | 178 | 42.1 Ų | 42.1 | 77% | 0.774 | 22% | 0.218 | S | C | * | . | trans | -139.9 | 137.9 | 177.1 | -64.4 | -173.5 | -179.6 | -176.7 | 0 | 110.5 | ||||
| 65 | G | 95 | Very high | 96.7 | Very high | 27 Ų | 27 | 37.5 Ų | 37.5 | 28% | 0.278 | 20% | 0.197 | S | C | . | . | S | Bend | trans | 81.7 | 174.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q53 W63 G67 | Q53-G65 WeakPolarHBondContact CB-O 3.31Å; Q53-G65 WeakPolarHBondContact CG-O 3.31Å; W63-G65 PolarHBondContact NE1-O 2.97Å; G65-G67 VanDerWaalsContact C-N 3.28Å; G65-G67 PolarHBondContact O-N 3.12Å |
| 66 | Y | 96.4 | Very high | 96.9 | Very high | 42 Ų | 42 | 38.5 Ų | 38.5 | 17% | 0.165 | 20% | 0.201 | C | C | . | . | trans | -80.2 | -5.6 | -169.2 | -48.9 | -3.8 | 0 | 0 | 0 | 113.4 | E47 P50 F52 D138 R141 | E47-Y66 WeakPolarHBondContact CB-O 3.07Å; E47-Y66 VanDerWaalsContact CG-O 3.23Å; E47-Y66 WeakPolarHBondContact CG-O 3.27Å; P50-Y66 HydrophobicContact CB-CD1 4.16Å; P50-Y66 HydrophobicContact CB-CD2 4.44Å; P50-Y66 HydrophobicContact CB-CE1 3.61Å; P50-Y66 HydrophobicContact CB-CE2 3.92Å; P50-Y66 VanDerWaalsContact CB-CZ 3.49Å; P50-Y66 HydrophobicContact CG-CE2 4.37Å; F52-Y66 WeakPolarHBondContact CD1-O 3.45Å; Y66-D138 HydrophobicContact CE2-CB 4.08Å; Y66-D138 PolarHBondContact OH-OD2 3.13Å; Y66-R141 VanDerWaalsContact CB-CZ 3.48Å; Y66-R141 VanDerWaalsContact CD2-CZ 3.49Å; Y66-R141 VanDerWaalsContact CD2-NE 3.32Å; Y66-R141 VanDerWaalsContact CE2-CD 3.41Å; Y66-R141 VanDerWaalsContact CG-CZ 3.42Å; Y66-R141 VanDerWaalsContact CG-NH1 3.29Å | ||
| 67 | G | 97.4 | Very high | 96.9 | Very high | 8 Ų | 8 | 38.5 Ų | 38.5 | 8% | 0.082 | 20% | 0.201 | C | C | . | . | trans | 69 | -148.7 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114 | E47 G65 N112 | E47-G67 WeakPolarHBondContact CB-O 3.48Å; E47-G67 PolarHBondContact N-O 3.15Å; G65-G67 VanDerWaalsContact C-N 3.28Å; G65-G67 PolarHBondContact O-N 3.12Å; G67-N112 WeakPolarHBondContact CA-OD1 3.37Å | ||
| 68 | Y | 98.3 | Very high | 96.8 | Very high | 41 Ų | 41 | 38.2 Ų | 38.2 | 16% | 0.161 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 145.5 | -171.9 | -59.4 | -80.1 | 0 | 0 | 0 | 111.8 | I44 G45 L46 N112 L115 L122 E124 | I44-Y68 VanDerWaalsContact CD1-CB 3.43Å; I44-Y68 HydrophobicContact CD1-CG 4.44Å; I44-Y68 HydrophobicContact CG2-CD1 3.71Å; I44-Y68 HydrophobicContact CG2-CD2 4.43Å; I44-Y68 HydrophobicContact CG2-CE1 4.44Å; I44-Y68 HydrophobicContact CG2-CG 3.73Å; G45-Y68 CarbonylContact O-C 3.53Å; G45-Y68 VanDerWaalsContact O-CA 3.31Å; G45-Y68 WeakPolarHBondContact O-CA 3.48Å; G45-Y68 WeakPolarHBondContact O-CB 3.41Å; L46-Y68 HydrophobicContact CD2-CD1 4.31Å; L46-Y68 HydrophobicContact CD2-CE1 3.91Å; Y68-N112 PolarHBondContact N-OD1 3.48Å; Y68-N112 PolarHBondContact O-ND2 3.4Å; Y68-L115 HydrophobicContact CD2-CD1 4.31Å; Y68-L122 HydrophobicContact CD1-CD1 4.41Å; Y68-L122 HydrophobicContact CE1-CD1 4Å; Y68-L122 HydrophobicContact CE1-CD2 4.24Å; Y68-L122 HydrophobicContact CE2-CD1 4.15Å; Y68-L122 HydrophobicContact CE2-CD2 3.91Å; Y68-L122 VanDerWaalsContact CZ-CD2 3.48Å; Y68-L122 WeakPolarHBondContact OH-CD2 3.27Å; Y68-E124 HydrophobicContact CE1-CB 4.45Å; Y68-E124 HydrophobicContact CE1-CG 4.1Å |
| 69 | N | 98.1 | Very high | 96.9 | Very high | 6 Ų | 6 | 34.7 Ų | 34.7 | 3% | 0.032 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 130.5 | 177.8 | -179.1 | -91.6 | 0 | 0 | 0 | 110.2 | I44 G45 E47 G71 Q108 N130 H168 | I44-N69 WeakPolarHBondContact CD1-O 3.31Å; I44-N69 WeakPolarHBondContact CG1-O 3.35Å; G45-N69 PolarHBondContact O-N 3.39Å; E47-N69 HydrophobicContact CB-CB 4.33Å; E47-N69 PolarHBondContact OE2-ND2 2.86Å; N69-G71 VanDerWaalsContact C-N 3.34Å; N69-G71 PolarHBondContact O-N 2.97Å; N69-G71 PolarHBondContact OD1-N 3.2Å; N69-Q108 PolarHBondContact ND2-OE1 3.06Å; N69-N130 PolarHBondContact O-ND2 3.1Å; N69-N130 PolarHBondContact OD1-ND2 2.83Å; N69-H168 PolarHBondContact OD1-CE1 3.06Å; N69-H168 PolarHBondContact OD1-ND1 2.81Å |
| 70 | N | 96.3 | Very high | 96.9 | Very high | 16 Ų | 16 | 34.1 Ų | 34.1 | 9% | 0.086 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 5 | -172.2 | 75.3 | -33.4 | 0 | 0 | 0 | 114.8 | I44 V72 L73 E107 Q108 L111 | I44-N70 HydrophobicContact CD1-CB 4.37Å; N70-V72 PolarHBondContact O-N 3.04Å; N70-V72 VanDerWaalsContact O-N 3.11Å; N70-L73 HydrophobicContact CB-CD1 4.22Å; N70-L73 HydrophobicContact CB-CD2 4.3Å; N70-L73 HydrophobicContact CB-CG 4.45Å; N70-L73 WeakPolarHBondContact O-CG 3.45Å; N70-E107 WeakPolarHBondContact ND2-CG 3.31Å; N70-E107 PolarHBondContact ND2-OE1 3.3Å; N70-Q108 HydrophobicContact CB-CB 4.18Å; N70-Q108 PolarHBondContact OD1-OE1 3.37Å; N70-Q108 VanDerWaalsContact OD1-OE1 3.14Å; N70-L111 HydrophobicContact CB-CD2 4.2Å |
| 71 | G | 97.1 | Very high | 96.8 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | -11.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | L16 D17 N69 | L16-G71 WeakPolarHBondContact CA-O 3.14Å; D17-G71 PolarHBondContact N-O 3.06Å; D17-G71 WeakPolarHBondContact OD2-CA 3.15Å; N69-G71 VanDerWaalsContact C-N 3.34Å; N69-G71 PolarHBondContact O-N 2.97Å; N69-G71 PolarHBondContact OD1-N 3.2Å |
| 72 | V | 98.1 | Very high | 96.8 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 118 | 169.1 | -178.5 | 0 | 0 | 0 | 0 | 109.7 | L16 L29 N70 L74 I125 W129 N130 L166 | L16-V72 HydrophobicContact CD2-CB 4.24Å; L16-V72 HydrophobicContact CD2-CG1 3.83Å; L16-V72 HydrophobicContact CD2-CG2 3.93Å; L29-V72 HydrophobicContact CD2-CG1 3.76Å; N70-V72 PolarHBondContact O-N 3.04Å; N70-V72 VanDerWaalsContact O-N 3.11Å; V72-L74 HydrophobicContact CG1-CD1 4.4Å; V72-I125 HydrophobicContact CB-CD1 4.07Å; V72-I125 HydrophobicContact CG1-CD1 3.62Å; V72-W129 WeakPolarHBondContact CG2-O 3.48Å; V72-N130 HydrophobicContact CB-CB 4.29Å; V72-N130 HydrophobicContact CG2-CB 4.06Å; V72-L166 HydrophobicContact CG2-CD1 3.72Å; V72-L166 HydrophobicContact CG2-CD2 3.62Å; V72-L166 HydrophobicContact CG2-CG 4.3Å |
| 73 | L | 98.4 | Very high | 96.6 | Very high | 12 Ų | 12 | 32.4 Ų | 32.4 | 6% | 0.063 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 138.8 | -178.9 | -60.7 | 164.7 | 0 | 0 | 0 | 111.5 | I14 V15 G43 I44 N70 F75 L111 | I14-L73 CarbonylContact C-O 3.55Å; I14-L73 VanDerWaalsContact CA-O 3.29Å; I14-L73 WeakPolarHBondContact CA-O 3.22Å; V15-L73 HydrophobicContact CB-CB 4.15Å; V15-L73 HydrophobicContact CB-CD1 4.42Å; V15-L73 PolarHBondContact N-O 3.3Å; V15-L73 PolarHBondContact O-N 3.23Å; G43-L73 CarbonylContact O-C 3.57Å; G43-L73 VanDerWaalsContact O-CA 3.3Å; G43-L73 WeakPolarHBondContact O-CA 3.23Å; I44-L73 HydrophobicContact CB-CD2 3.93Å; I44-L73 HydrophobicContact CD1-CD2 3.61Å; I44-L73 HydrophobicContact CG1-CD2 3.7Å; N70-L73 HydrophobicContact CB-CD1 4.22Å; N70-L73 HydrophobicContact CB-CD2 4.3Å; N70-L73 HydrophobicContact CB-CG 4.45Å; N70-L73 WeakPolarHBondContact O-CG 3.45Å; L73-F75 HydrophobicContact CB-CD2 4.3Å; L73-F75 HydrophobicContact CB-CE2 3.97Å; L73-F75 HydrophobicContact CB-CZ 4.24Å; L73-F75 HydrophobicContact CD1-CE2 3.68Å; L73-F75 HydrophobicContact CD1-CZ 3.73Å; L73-F75 HydrophobicContact CD2-CZ 4.41Å; L73-F75 HydrophobicContact CG-CE2 4.37Å; L73-F75 HydrophobicContact CG-CZ 4.36Å; L73-L111 HydrophobicContact CD1-CD2 4.36Å; L73-L111 HydrophobicContact CD2-CD2 3.48Å; L73-L111 VanDerWaalsContact CD2-CD2 3.48Å |
| 74 | L | 98.7 | Very high | 96.3 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 104.1 | 170 | -82.2 | 63.6 | 0 | 0 | 0 | 108.2 | I14 L29 F33 F36 I42 G43 V72 I125 | I14-L74 HydrophobicContact CG1-CD1 4.46Å; I14-L74 HydrophobicContact CG1-CG 4.27Å; L29-L74 HydrophobicContact CD1-CD1 3.79Å; L29-L74 HydrophobicContact CD1-CD2 4.32Å; L29-L74 HydrophobicContact CD2-CD1 4.09Å; L29-L74 HydrophobicContact CG-CD1 3.87Å; F33-L74 HydrophobicContact CD1-CB 4.45Å; F33-L74 HydrophobicContact CD2-CD2 4.38Å; F33-L74 HydrophobicContact CE1-CB 3.71Å; F33-L74 HydrophobicContact CE1-CG 4.37Å; F33-L74 HydrophobicContact CE2-CB 4.2Å; F33-L74 HydrophobicContact CE2-CD2 4.31Å; F33-L74 HydrophobicContact CE2-CG 4.02Å; F33-L74 HydrophobicContact CZ-CB 3.56Å; F33-L74 HydrophobicContact CZ-CD2 4.42Å; F33-L74 HydrophobicContact CZ-CG 3.9Å; F36-L74 HydrophobicContact CE1-CD2 4.38Å; F36-L74 HydrophobicContact CZ-CB 3.88Å; F36-L74 HydrophobicContact CZ-CD2 4.34Å; I42-L74 CarbonylContact C-O 3.34Å; I42-L74 WeakPolarHBondContact CA-O 3.36Å; G43-L74 PolarHBondContact N-O 2.87Å; G43-L74 PolarHBondContact O-N 3.12Å; V72-L74 HydrophobicContact CG1-CD1 4.4Å; L74-I125 HydrophobicContact CD1-CG2 4.25Å; L74-I125 HydrophobicContact CD2-CG2 4.32Å |
| 75 | F | 98.3 | Very high | 96.2 | Very high | 13 Ų | 13 | 31.2 Ų | 31.2 | 6% | 0.057 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 117.1 | 177 | -70.7 | -54.5 | 0 | 0 | 0 | 111.4 | I2 K12 V13 V15 I42 L73 L77 L80 | I2-F75 HydrophobicContact CD1-CD2 3.96Å; I2-F75 HydrophobicContact CD1-CE2 4.39Å; I2-F75 HydrophobicContact CG2-CD2 4.12Å; I2-F75 HydrophobicContact CG2-CE2 4.24Å; K12-F75 CarbonylContact C-O 3.54Å; K12-F75 VanDerWaalsContact CA-O 3.31Å; K12-F75 WeakPolarHBondContact CA-O 3.38Å; V13-F75 HydrophobicContact CG1-CB 3.81Å; V13-F75 HydrophobicContact CG1-CD2 4.44Å; V13-F75 PolarHBondContact N-O 2.86Å; V13-F75 PolarHBondContact O-N 3.03Å; V15-F75 HydrophobicContact CG2-CD2 3.82Å; V15-F75 HydrophobicContact CG2-CE2 4.05Å; I42-F75 HydrophobicContact CB-CD1 4.4Å; I42-F75 HydrophobicContact CB-CE1 4.36Å; I42-F75 HydrophobicContact CD1-CE1 4.15Å; I42-F75 HydrophobicContact CG1-CD1 3.95Å; I42-F75 HydrophobicContact CG1-CE1 3.93Å; I42-F75 HydrophobicContact CG2-CD1 4.15Å; I42-F75 HydrophobicContact CG2-CE1 3.77Å; L73-F75 HydrophobicContact CB-CD2 4.3Å; L73-F75 HydrophobicContact CB-CE2 3.97Å; L73-F75 HydrophobicContact CB-CZ 4.24Å; L73-F75 HydrophobicContact CD1-CE2 3.68Å; L73-F75 HydrophobicContact CD1-CZ 3.73Å; L73-F75 HydrophobicContact CD2-CZ 4.41Å; L73-F75 HydrophobicContact CG-CE2 4.37Å; L73-F75 HydrophobicContact CG-CZ 4.36Å; F75-L77 VanDerWaalsContact C-N 3.31Å; F75-L77 HydrophobicContact CB-CD2 3.81Å; F75-L77 HydrophobicContact CB-CG 4.42Å; F75-L77 PolarHBondContact O-N 3.05Å; F75-L77 VanDerWaalsContact O-N 3.12Å; F75-L80 HydrophobicContact CB-CD1 4.13Å; F75-L80 HydrophobicContact CD1-CD1 3.59Å; F75-L80 HydrophobicContact CE1-CD1 4.29Å; F75-L80 HydrophobicContact CG-CD1 4.14Å |
| 76 | H | 98.2 | Very high | 96.1 | Very high | 23 Ų | 23 | 32.2 Ų | 32.2 | 11% | 0.106 | 17% | 0.166 | C | C | . | . | trans | -84.4 | 81.5 | 166.9 | -160.5 | -38 | 0 | 0 | 0 | 108.4 | S11 K12 F33 F36 S41 S78 K79 L80 | S11-H76 CarbonylContact O-C 3.52Å; S11-H76 PolarHBondContact O-ND1 3.47Å; K12-H76 WeakPolarHBondContact CE-NE2 3.46Å; F33-H76 HydrophobicContact CD1-CB 4.3Å; F33-H76 HydrophobicContact CE1-CB 4.16Å; F36-H76 HydrophobicContact CD2-CB 4.13Å; F36-H76 HydrophobicContact CE2-CB 4.22Å; S41-H76 PolarHBondContact O-N 3.11Å; H76-S78 VanDerWaalsContact C-N 3.3Å; H76-S78 PolarHBondContact CE1-OG 2.94Å; H76-S78 PolarHBondContact ND1-OG 3.42Å; H76-S78 VanDerWaalsContact ND1-OG 3.07Å; H76-S78 PolarHBondContact O-N 2.69Å; H76-K79 HydrophobicContact CB-CB 4.26Å; H76-K79 HydrophobicContact CB-CD 4.16Å; H76-K79 HydrophobicContact CB-CG 4.37Å; H76-K79 PolarHBondContact O-N 3.38Å; H76-L80 PolarHBondContact O-N 2.87Å | ||
| 77 | L | 97.4 | Very high | 96 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -54.9 | -38.8 | -172.4 | -59.7 | 177.6 | 0 | 0 | 0 | 113.7 | I2 T3 L6 I10 S11 V13 F75 K79 L80 R81 | I2-L77 HydrophobicContact CG1-CD2 4.39Å; I2-L77 HydrophobicContact CG2-CD2 4.06Å; T3-L77 HydrophobicContact CG2-CD2 4.46Å; L6-L77 HydrophobicContact CB-CD1 4.16Å; L6-L77 HydrophobicContact CD1-CD1 3.69Å; I10-L77 HydrophobicContact CB-CD1 4.37Å; I10-L77 HydrophobicContact CG2-CD1 3.9Å; S11-L77 PolarHBondContact O-N 2.93Å; V13-L77 HydrophobicContact CB-CD1 4.24Å; V13-L77 HydrophobicContact CG1-CD1 3.78Å; V13-L77 HydrophobicContact CG1-CD2 3.91Å; V13-L77 HydrophobicContact CG1-CG 3.85Å; F75-L77 VanDerWaalsContact C-N 3.31Å; F75-L77 HydrophobicContact CB-CD2 3.81Å; F75-L77 HydrophobicContact CB-CG 4.42Å; F75-L77 PolarHBondContact O-N 3.05Å; F75-L77 VanDerWaalsContact O-N 3.12Å; L77-K79 PolarHBondContact O-N 3.5Å; L77-L80 PolarHBondContact O-N 2.9Å; L77-R81 WeakPolarHBondContact O-CB 3.4Å; L77-R81 VanDerWaalsContact O-CG 3.22Å; L77-R81 WeakPolarHBondContact O-CG 3.43Å; L77-R81 PolarHBondContact O-N 3.21Å |
| 78 | S | 95.7 | Very high | 95.8 | Very high | 53 Ų | 53 | 38.4 Ų | 38.4 | 37% | 0.371 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -64.3 | -39.9 | 177.5 | 62.9 | 0 | 0 | 0 | 0 | 112.6 | S11 H76 S82 | S11-S78 PolarHBondContact O-N 2.91Å; S11-S78 VanDerWaalsContact O-N 3.16Å; H76-S78 VanDerWaalsContact C-N 3.3Å; H76-S78 PolarHBondContact CE1-OG 2.94Å; H76-S78 PolarHBondContact ND1-OG 3.42Å; H76-S78 VanDerWaalsContact ND1-OG 3.07Å; H76-S78 PolarHBondContact O-N 2.69Å; S78-S82 PolarHBondContact O-N 2.91Å |
| 79 | K | 96.6 | Very high | 95.7 | Very high | 39 Ų | 39 | 38.8 Ų | 38.8 | 17% | 0.17 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -66.4 | -46 | 173.4 | -67.2 | -178.3 | -176.7 | -179.5 | 0 | 110.6 | F36 T37 Q40 H76 L77 R81 S82 T83 | F36-K79 PolarHBondContact O-NZ 3.02Å; T37-K79 PolarHBondContact O-NZ 3.02Å; Q40-K79 WeakPolarHBondContact O-CD 3.37Å; Q40-K79 PolarHBondContact O-NZ 3.35Å; Q40-K79 VanDerWaalsContact O-NZ 3.12Å; H76-K79 HydrophobicContact CB-CB 4.26Å; H76-K79 HydrophobicContact CB-CD 4.16Å; H76-K79 HydrophobicContact CB-CG 4.37Å; H76-K79 PolarHBondContact O-N 3.38Å; L77-K79 PolarHBondContact O-N 3.5Å; K79-R81 PolarHBondContact O-N 3.4Å; K79-S82 WeakPolarHBondContact O-CB 3.35Å; K79-S82 PolarHBondContact O-N 3.28Å; K79-S82 VanDerWaalsContact O-N 3.07Å; K79-S82 PolarHBondContact O-OG 3.28Å; K79-T83 WeakPolarHBondContact O-CG2 3.38Å; K79-T83 PolarHBondContact O-N 3.49Å |
| 80 | L | 95.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -58.6 | -44.6 | 176.7 | -78 | 177.1 | 0 | 0 | 0 | 113.1 | T3 S41 I42 F75 H76 L77 S82 T83 W85 | T3-L80 HydrophobicContact CG2-CB 3.89Å; T3-L80 HydrophobicContact CG2-CD1 4.37Å; S41-L80 WeakPolarHBondContact OG-CD2 3.3Å; I42-L80 HydrophobicContact CD1-CD2 4.03Å; I42-L80 HydrophobicContact CG1-CD1 4.34Å; I42-L80 HydrophobicContact CG1-CD2 3.9Å; F75-L80 HydrophobicContact CB-CD1 4.13Å; F75-L80 HydrophobicContact CD1-CD1 3.59Å; F75-L80 HydrophobicContact CE1-CD1 4.29Å; F75-L80 HydrophobicContact CG-CD1 4.14Å; H76-L80 PolarHBondContact O-N 2.87Å; L77-L80 PolarHBondContact O-N 2.9Å; L80-S82 PolarHBondContact O-N 3.41Å; L80-T83 WeakPolarHBondContact O-CA 3.46Å; L80-T83 WeakPolarHBondContact O-CB 3.39Å; L80-T83 PolarHBondContact O-N 3.47Å; L80-T83 PolarHBondContact O-OG1 3.06Å; L80-W85 HydrophobicContact CD2-CD2 3.94Å; L80-W85 HydrophobicContact CD2-CE3 3.64Å; L80-W85 HydrophobicContact CD2-CG 4.32Å; L80-W85 HydrophobicContact CD2-CZ3 4.16Å |
| 81 | R | 95.1 | Very high | 95.5 | Very high | 64 Ų | 64 | 45.4 Ų | 45.4 | 24% | 0.242 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -64.8 | -24.3 | 176.5 | -70.3 | 174.4 | -169.8 | 130.1 | -6.2 | 113.1 | T3 L6 P7 I10 L77 K79 | T3-R81 HydrophobicContact CG2-CG 4.18Å; T3-R81 PolarHBondContact O-NE 2.99Å; T3-R81 PolarHBondContact O-NH2 3.02Å; L6-R81 PolarHBondContact O-NH2 3.41Å; P7-R81 PolarHBondContact O-NH2 2.99Å; I10-R81 PolarHBondContact O-NH1 3.4Å; L77-R81 WeakPolarHBondContact O-CB 3.4Å; L77-R81 VanDerWaalsContact O-CG 3.22Å; L77-R81 WeakPolarHBondContact O-CG 3.43Å; L77-R81 PolarHBondContact O-N 3.21Å; K79-R81 PolarHBondContact O-N 3.4Å |
| 82 | S | 93.9 | Very high | 95.5 | Very high | 100 Ų | 100 | 45.8 Ų | 45.8 | 70% | 0.699 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -77.5 | -12 | 172.1 | 78.9 | 0 | 0 | 0 | 0 | 113.3 | S78 K79 L80 | S78-S82 PolarHBondContact O-N 2.91Å; K79-S82 WeakPolarHBondContact O-CB 3.35Å; K79-S82 PolarHBondContact O-N 3.28Å; K79-S82 VanDerWaalsContact O-N 3.07Å; K79-S82 PolarHBondContact O-OG 3.28Å; L80-S82 PolarHBondContact O-N 3.41Å |
| 83 | T | 91.2 | Very high | 95.5 | Very high | 44 Ų | 44 | 47 Ų | 47 | 27% | 0.27 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | 177.3 | 169 | 80.2 | 0 | 0 | 0 | 0 | 110.4 | K79 L80 W85 L121 | K79-T83 WeakPolarHBondContact O-CG2 3.38Å; K79-T83 PolarHBondContact O-N 3.49Å; L80-T83 WeakPolarHBondContact O-CA 3.46Å; L80-T83 WeakPolarHBondContact O-CB 3.39Å; L80-T83 PolarHBondContact O-N 3.47Å; L80-T83 PolarHBondContact O-OG1 3.06Å; T83-W85 PolarHBondContact O-N 3.43Å; T83-W85 WeakPolarHBondContact OG1-CB 3.3Å; T83-W85 PolarHBondContact OG1-N 3.1Å; T83-W85 VanDerWaalsContact OG1-N 3.08Å; T83-L121 HydrophobicContact CG2-CD2 4.12Å |
| 84 | K | 91.3 | Very high | 95.4 | Very high | 160 Ų | 160 | 52.7 Ų | 52.7 | 70% | 0.696 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.6 | 39.6 | 168.6 | -62.3 | -173.7 | 179.4 | -179.1 | 0 | 111.7 | D86 Y87 L88 | K84-D86 VanDerWaalsContact C-N 3.27Å; K84-D86 PolarHBondContact O-N 3Å; K84-D86 VanDerWaalsContact O-N 3.15Å; K84-Y87 WeakPolarHBondContact O-CB 3.29Å; K84-Y87 PolarHBondContact O-N 2.86Å; K84-L88 HydrophobicContact CB-CG 4.45Å; K84-L88 WeakPolarHBondContact O-CG 3.42Å; K84-L88 PolarHBondContact O-N 3.35Å |
| 85 | W | 93.5 | Very high | 95.3 | Very high | 7 Ų | 7 | 57.9 Ų | 57.9 | 3% | 0.027 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -46.9 | -49.9 | -169.4 | 171.7 | -104.7 | 0 | 0 | 0 | 112.5 | T3 I42 L80 T83 Y87 L88 W89 L111 V114 | T3-W85 VanDerWaalsContact CG2-CD1 3.46Å; T3-W85 HydrophobicContact CG2-CG 4.1Å; T3-W85 VanDerWaalsContact OG1-CD1 3.31Å; I42-W85 HydrophobicContact CD1-CE3 4.36Å; I42-W85 HydrophobicContact CD1-CH2 3.68Å; I42-W85 HydrophobicContact CD1-CZ3 3.46Å; I42-W85 VanDerWaalsContact CD1-CZ3 3.46Å; L80-W85 HydrophobicContact CD2-CD2 3.94Å; L80-W85 HydrophobicContact CD2-CE3 3.64Å; L80-W85 HydrophobicContact CD2-CG 4.32Å; L80-W85 HydrophobicContact CD2-CZ3 4.16Å; T83-W85 PolarHBondContact O-N 3.43Å; T83-W85 WeakPolarHBondContact OG1-CB 3.3Å; T83-W85 PolarHBondContact OG1-N 3.1Å; T83-W85 VanDerWaalsContact OG1-N 3.08Å; W85-Y87 VanDerWaalsContact C-N 3.34Å; W85-Y87 PolarHBondContact O-N 2.91Å; W85-L88 PolarHBondContact O-N 2.91Å; W85-W89 AromaticContact CH2-CE3 3.51Å; W85-W89 HydrophobicContact CH2-CE3 3.51Å; W85-W89 AromaticContact CH2-CZ3 3.78Å; W85-W89 HydrophobicContact CH2-CZ3 3.78Å; W85-W89 HydrophobicContact CZ2-CD2 4.22Å; W85-W89 AromaticContact CZ2-CE3 3.29Å; W85-W89 HydrophobicContact CZ2-CE3 3.29Å; W85-W89 AromaticContact CZ2-CZ3 3.69Å; W85-W89 HydrophobicContact CZ2-CZ3 3.69Å; W85-W89 HydrophobicContact CZ3-CE3 4.48Å; W85-W89 WeakPolarHBondContact O-CB 3.34Å; W85-W89 PolarHBondContact O-N 3.25Å; W85-L111 HydrophobicContact CH2-CD1 3.97Å; W85-V114 HydrophobicContact CZ3-CG1 3.81Å |
| 86 | D | 91.9 | Very high | 95.2 | Very high | 48 Ų | 48 | 57.5 Ų | 57.5 | 26% | 0.257 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -63.1 | -42.2 | -175.7 | -62.9 | -26.7 | 0 | 0 | 0 | 112.3 | M1 T3 E4 K84 L90 | M1-D86 HydrophobicContact CE-CB 3.25Å; M1-D86 VanDerWaalsContact CE-OD1 3.28Å; M1-D86 WeakPolarHBondContact CE-OD1 3.31Å; M1-D86 HydrophobicContact SD-CB 4.17Å; T3-D86 PolarHBondContact OG1-OD1 2.81Å; E4-D86 WeakPolarHBondContact CG-OD2 3.35Å; K84-D86 VanDerWaalsContact C-N 3.27Å; K84-D86 PolarHBondContact O-N 3Å; K84-D86 VanDerWaalsContact O-N 3.15Å; D86-L90 WeakPolarHBondContact O-CB 3.44Å; D86-L90 VanDerWaalsContact O-CG 3.25Å; D86-L90 WeakPolarHBondContact O-CG 3.37Å; D86-L90 PolarHBondContact O-N 3.05Å; D86-L90 VanDerWaalsContact O-N 3.11Å |
| 87 | Y | 94.1 | Very high | 95.1 | Very high | 152 Ų | 152 | 60.2 Ų | 60.2 | 60% | 0.596 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -67.4 | -42.6 | 174.7 | 176.1 | -93.9 | 0 | 0 | 0 | 112.2 | K84 W85 L90 N91 | K84-Y87 WeakPolarHBondContact O-CB 3.29Å; K84-Y87 PolarHBondContact O-N 2.86Å; W85-Y87 VanDerWaalsContact C-N 3.34Å; W85-Y87 PolarHBondContact O-N 2.91Å; Y87-L90 PolarHBondContact O-N 2.99Å; Y87-N91 WeakPolarHBondContact O-CB 3.17Å; Y87-N91 PolarHBondContact O-N 2.88Å |
| 88 | L | 94.1 | Very high | 95.1 | Very high | 29 Ų | 29 | 66.6 Ų | 66.6 | 15% | 0.152 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -61 | -48.9 | 178.8 | -69.8 | 176.6 | 0 | 0 | 0 | 110.9 | K84 W85 N91 I92 F118 | K84-L88 HydrophobicContact CB-CG 4.45Å; K84-L88 WeakPolarHBondContact O-CG 3.42Å; K84-L88 PolarHBondContact O-N 3.35Å; W85-L88 PolarHBondContact O-N 2.91Å; L88-N91 PolarHBondContact O-N 3.14Å; L88-I92 WeakPolarHBondContact O-CB 3.48Å; L88-I92 WeakPolarHBondContact O-CG1 3.39Å; L88-I92 PolarHBondContact O-N 3.47Å; L88-F118 HydrophobicContact CD1-CD2 4.41Å; L88-F118 HydrophobicContact CD1-CE2 4.24Å; L88-F118 HydrophobicContact CD1-CZ 4.44Å; L88-F118 HydrophobicContact CD2-CE1 4.4Å; L88-F118 HydrophobicContact CD2-CE2 3.71Å; L88-F118 HydrophobicContact CD2-CZ 3.57Å; L88-F118 HydrophobicContact CG-CE2 4.46Å |
| 89 | W | 95 | Very high | 95 | Very high | 49 Ų | 49 | 69.7 Ų | 69.7 | 19% | 0.186 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -58 | -51.6 | 177.9 | -176.4 | -84.8 | 0 | 0 | 0 | 111.5 | M1 W85 N91 I92 T93 E107 I110 L111 | M1-W89 HydrophobicContact CG-CG 4.4Å; M1-W89 HydrophobicContact SD-CB 3.45Å; M1-W89 WeakPolarHBondContact SD-CB 3.47Å; M1-W89 VanDerWaalsContact SD-CD1 3.57Å; M1-W89 HydrophobicContact SD-CD2 4.4Å; M1-W89 HydrophobicContact SD-CG 3.51Å; M1-W89 VanDerWaalsContact SD-CG 3.51Å; W85-W89 AromaticContact CH2-CE3 3.51Å; W85-W89 HydrophobicContact CH2-CE3 3.51Å; W85-W89 AromaticContact CH2-CZ3 3.78Å; W85-W89 HydrophobicContact CH2-CZ3 3.78Å; W85-W89 HydrophobicContact CZ2-CD2 4.22Å; W85-W89 AromaticContact CZ2-CE3 3.29Å; W85-W89 HydrophobicContact CZ2-CE3 3.29Å; W85-W89 AromaticContact CZ2-CZ3 3.69Å; W85-W89 HydrophobicContact CZ2-CZ3 3.69Å; W85-W89 HydrophobicContact CZ3-CE3 4.48Å; W85-W89 WeakPolarHBondContact O-CB 3.34Å; W85-W89 PolarHBondContact O-N 3.25Å; W89-N91 PolarHBondContact O-N 3.38Å; W89-I92 PolarHBondContact O-N 3.03Å; W89-T93 VanDerWaalsContact O-CB 3.26Å; W89-T93 WeakPolarHBondContact O-CB 3.35Å; W89-T93 PolarHBondContact O-N 2.86Å; W89-T93 PolarHBondContact O-OG1 2.96Å; W89-E107 HydrophobicContact CH2-CB 3.91Å; W89-E107 HydrophobicContact CZ2-CB 3.93Å; W89-I110 HydrophobicContact CD2-CG2 3.72Å; W89-I110 HydrophobicContact CE3-CG2 3.77Å; W89-I110 HydrophobicContact CG-CG2 4.33Å; W89-I110 HydrophobicContact CH2-CB 3.99Å; W89-I110 HydrophobicContact CH2-CG2 3.98Å; W89-I110 HydrophobicContact CZ2-CB 4.02Å; W89-I110 HydrophobicContact CZ2-CG2 3.93Å; W89-I110 HydrophobicContact CZ3-CB 4.3Å; W89-I110 HydrophobicContact CZ3-CG2 3.91Å; W89-L111 HydrophobicContact CH2-CB 4.5Å; W89-L111 HydrophobicContact CZ3-CB 4.26Å; W89-L111 HydrophobicContact CZ3-CD1 4.26Å |
| 90 | L | 95.5 | Very high | 94.8 | Very high | 109 Ų | 109 | 69.3 Ų | 69.3 | 57% | 0.571 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -63.8 | -41.4 | -178.8 | -71.3 | 172.6 | 0 | 0 | 0 | 112.3 | M1 D86 Y87 K94 | M1-L90 HydrophobicContact CE-CD1 4.27Å; M1-L90 HydrophobicContact CE-CG 4.16Å; D86-L90 WeakPolarHBondContact O-CB 3.44Å; D86-L90 VanDerWaalsContact O-CG 3.25Å; D86-L90 WeakPolarHBondContact O-CG 3.37Å; D86-L90 PolarHBondContact O-N 3.05Å; D86-L90 VanDerWaalsContact O-N 3.11Å; Y87-L90 PolarHBondContact O-N 2.99Å; L90-K94 WeakPolarHBondContact O-CB 3.16Å; L90-K94 PolarHBondContact O-N 2.74Å |
| 91 | N | 96.6 | Very high | 94.8 | Very high | 51 Ų | 51 | 72 Ų | 72 | 27% | 0.273 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -65.7 | -45.2 | 179.2 | -175.1 | 46.3 | 0 | 0 | 0 | 111.9 | Y87 L88 W89 K94 K95 | Y87-N91 WeakPolarHBondContact O-CB 3.17Å; Y87-N91 PolarHBondContact O-N 2.88Å; L88-N91 PolarHBondContact O-N 3.14Å; W89-N91 PolarHBondContact O-N 3.38Å; N91-K94 PolarHBondContact O-N 3.36Å; N91-K95 WeakPolarHBondContact O-CG 2.96Å; N91-K95 PolarHBondContact O-N 3.38Å; N91-K95 VanDerWaalsContact O-N 3.12Å |
| 92 | I | 96.6 | Very high | 94.7 | Very high | 8 Ų | 8 | 75.8 Ų | 75.8 | 4% | 0.041 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -67.3 | -42.4 | 177.4 | -72.4 | 169.4 | 0 | 0 | 0 | 110.7 | L88 W89 K94 K95 A96 I110 L113 V114 F118 | L88-I92 WeakPolarHBondContact O-CB 3.48Å; L88-I92 WeakPolarHBondContact O-CG1 3.39Å; L88-I92 PolarHBondContact O-N 3.47Å; W89-I92 PolarHBondContact O-N 3.03Å; I92-K94 VanDerWaalsContact C-N 3.34Å; I92-K94 PolarHBondContact O-N 2.86Å; I92-K95 PolarHBondContact O-N 2.77Å; I92-A96 WeakPolarHBondContact O-CB 3.09Å; I92-A96 PolarHBondContact O-N 3.13Å; I92-I110 HydrophobicContact CG2-CG2 4.17Å; I92-L113 HydrophobicContact CG2-CB 3.53Å; I92-L113 HydrophobicContact CG2-CD1 3.81Å; I92-L113 HydrophobicContact CG2-CG 4.34Å; I92-V114 HydrophobicContact CB-CG2 4.41Å; I92-V114 HydrophobicContact CD1-CB 4.14Å; I92-V114 HydrophobicContact CD1-CG2 3.49Å; I92-V114 VanDerWaalsContact CD1-CG2 3.49Å; I92-V114 HydrophobicContact CG2-CG2 4.36Å; I92-F118 HydrophobicContact CD1-CE2 4.11Å |
| 93 | T | 97 | Very high | 94.8 | Very high | 27 Ų | 27 | 73.1 Ų | 73.1 | 17% | 0.166 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -56.9 | -48 | 175.4 | -57.9 | 0 | 0 | 0 | 0 | 111.4 | W89 K95 A96 I97 I110 | W89-T93 VanDerWaalsContact O-CB 3.26Å; W89-T93 WeakPolarHBondContact O-CB 3.35Å; W89-T93 PolarHBondContact O-N 2.86Å; W89-T93 PolarHBondContact O-OG1 2.96Å; T93-K95 PolarHBondContact O-N 3.33Å; T93-A96 PolarHBondContact O-N 2.96Å; T93-I97 HydrophobicContact CG2-CD1 3.8Å; T93-I97 HydrophobicContact CG2-CG1 4.48Å; T93-I97 WeakPolarHBondContact O-CG1 3.42Å; T93-I97 PolarHBondContact O-N 3.37Å; T93-I110 HydrophobicContact CG2-CD1 4.38Å; T93-I110 HydrophobicContact CG2-CG1 4.46Å; T93-I110 WeakPolarHBondContact OG1-CG2 3.34Å |
| 94 | K | 96.9 | Very high | 94.9 | Very high | 131 Ų | 131 | 74.1 Ų | 74.1 | 57% | 0.57 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -58.7 | -49 | 177.9 | -179 | 175.1 | 172.4 | 177.8 | 0 | 111.6 | L90 N91 I92 A96 I97 E98 | L90-K94 WeakPolarHBondContact O-CB 3.16Å; L90-K94 PolarHBondContact O-N 2.74Å; N91-K94 PolarHBondContact O-N 3.36Å; I92-K94 VanDerWaalsContact C-N 3.34Å; I92-K94 PolarHBondContact O-N 2.86Å; K94-A96 VanDerWaalsContact C-N 3.33Å; K94-A96 PolarHBondContact O-N 3.05Å; K94-I97 PolarHBondContact O-N 2.78Å; K94-E98 WeakPolarHBondContact CE-OE1 3.47Å; K94-E98 HydrophobicContact CG-CG 4.41Å; K94-E98 IonicContact NZ-OE1 3.25Å; K94-E98 WeakPolarHBondContact O-CB 3.42Å; K94-E98 VanDerWaalsContact O-CG 3.31Å; K94-E98 WeakPolarHBondContact O-CG 3.31Å; K94-E98 PolarHBondContact O-N 3.16Å |
| 95 | K | 96.4 | Very high | 95.1 | Very high | 108 Ų | 108 | 68.8 Ų | 68.8 | 47% | 0.47 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -60.8 | -40.3 | 177.9 | -71.6 | 176 | -178.2 | -179.7 | 0 | 112.8 | N91 I92 T93 K99 | N91-K95 WeakPolarHBondContact O-CG 2.96Å; N91-K95 PolarHBondContact O-N 3.38Å; N91-K95 VanDerWaalsContact O-N 3.12Å; I92-K95 PolarHBondContact O-N 2.77Å; T93-K95 PolarHBondContact O-N 3.33Å; K95-K99 WeakPolarHBondContact O-CB 3.3Å; K95-K99 PolarHBondContact O-N 2.66Å |
| 96 | A | 96.8 | Very high | 95.2 | Very high | 5 Ų | 5 | 69.7 Ų | 69.7 | 4% | 0.041 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -64.7 | -46 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | L59 I92 T93 K94 K99 Q100 L103 I110 L113 | L59-A96 HydrophobicContact CD2-CB 4Å; I92-A96 WeakPolarHBondContact O-CB 3.09Å; I92-A96 PolarHBondContact O-N 3.13Å; T93-A96 PolarHBondContact O-N 2.96Å; K94-A96 VanDerWaalsContact C-N 3.33Å; K94-A96 PolarHBondContact O-N 3.05Å; A96-K99 PolarHBondContact O-N 3Å; A96-Q100 PolarHBondContact O-N 2.91Å; A96-L103 HydrophobicContact CB-CD2 3.76Å; A96-I110 HydrophobicContact CB-CD1 3.75Å; A96-L113 HydrophobicContact CB-CD1 3.82Å |
| 97 | I | 96.7 | Very high | 95.3 | Very high | 81 Ų | 81 | 72.4 Ų | 72.4 | 42% | 0.415 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -65.7 | -42.4 | 176.5 | -66 | 171.8 | 0 | 0 | 0 | 111.1 | T93 K94 K99 G101 | T93-I97 HydrophobicContact CG2-CD1 3.8Å; T93-I97 HydrophobicContact CG2-CG1 4.48Å; T93-I97 WeakPolarHBondContact O-CG1 3.42Å; T93-I97 PolarHBondContact O-N 3.37Å; K94-I97 PolarHBondContact O-N 2.78Å; I97-K99 PolarHBondContact O-N 2.84Å; I97-G101 WeakPolarHBondContact O-CA 3.35Å; I97-G101 PolarHBondContact O-N 3.28Å |
| 98 | E | 96.1 | Very high | 95.5 | Very high | 134 Ų | 134 | 65.6 Ų | 65.6 | 63% | 0.626 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -60.3 | -32.9 | 175.5 | -76.3 | 172.8 | 171.8 | 0 | 0 | 112.4 | K94 | K94-E98 WeakPolarHBondContact CE-OE1 3.47Å; K94-E98 HydrophobicContact CG-CG 4.41Å; K94-E98 IonicContact NZ-OE1 3.25Å; K94-E98 WeakPolarHBondContact O-CB 3.42Å; K94-E98 VanDerWaalsContact O-CG 3.31Å; K94-E98 WeakPolarHBondContact O-CG 3.31Å; K94-E98 PolarHBondContact O-N 3.16Å |
| 99 | K | 94.4 | Very high | 95.6 | Very high | 117 Ų | 117 | 64.2 Ų | 64.2 | 51% | 0.509 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -80.6 | -42.7 | -178.3 | -174.7 | 171.8 | -179.9 | -179 | 0 | 113.9 | K58 L59 K95 A96 I97 | K58-K99 WeakPolarHBondContact O-CE 3.45Å; K58-K99 PolarHBondContact O-NZ 2.86Å; L59-K99 VanDerWaalsContact C-NZ 3.32Å; L59-K99 VanDerWaalsContact O-CD 3.3Å; L59-K99 WeakPolarHBondContact O-CD 3.37Å; L59-K99 WeakPolarHBondContact O-CE 2.85Å; L59-K99 PolarHBondContact O-NZ 3.02Å; K95-K99 WeakPolarHBondContact O-CB 3.3Å; K95-K99 PolarHBondContact O-N 2.66Å; A96-K99 PolarHBondContact O-N 3Å; I97-K99 PolarHBondContact O-N 2.84Å |
| 100 | Q | 93 | Very high | 95.8 | Very high | 32 Ų | 32 | 62 Ų | 62 | 15% | 0.15 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -116 | -11.8 | -170.8 | -173.8 | 167 | -17.9 | 0 | 0 | 113.8 | L59 A96 Y102 I104 | L59-Q100 HydrophobicContact CD2-CB 3.92Å; A96-Q100 PolarHBondContact O-N 2.91Å; Q100-Y102 WeakPolarHBondContact CG-O 3.35Å; Q100-Y102 WeakPolarHBondContact O-CD1 3.49Å; Q100-Y102 PolarHBondContact O-N 3.25Å; Q100-Y102 VanDerWaalsContact O-N 3.13Å; Q100-I104 VanDerWaalsContact NE2-CD1 3.26Å |
| 101 | G | 94.4 | Very high | 95.8 | Very high | 56 Ų | 56 | 57 Ų | 57 | 58% | 0.577 | 29% | 0.29 | S | S | * | . | S | Bend | trans | 79.4 | -30 | -175 | 0 | 0 | 0 | 0 | 0 | 113.9 | I97 | I97-G101 WeakPolarHBondContact O-CA 3.35Å; I97-G101 PolarHBondContact O-N 3.28Å |
| 102 | Y | 93.3 | Very high | 95.9 | Very high | 144 Ų | 144 | 54.6 Ų | 54.6 | 57% | 0.565 | 28% | 0.277 | S | S | * | . | S | Bend | trans | -150.3 | 164 | 179.6 | 63.8 | -83.7 | 0 | 0 | 0 | 111.4 | Q100 I104 | Q100-Y102 WeakPolarHBondContact CG-O 3.35Å; Q100-Y102 WeakPolarHBondContact O-CD1 3.49Å; Q100-Y102 PolarHBondContact O-N 3.25Å; Q100-Y102 VanDerWaalsContact O-N 3.13Å; Y102-I104 HydrophobicContact CD2-CG1 4.33Å; Y102-I104 HydrophobicContact CE2-CG1 3.75Å |
| 103 | L | 95.7 | Very high | 96 | Very high | 43 Ų | 43 | 55.2 Ų | 55.2 | 23% | 0.225 | 28% | 0.28 | C | S | . | . | trans | -101.5 | 130.1 | 174.6 | -56.4 | 175.7 | 0 | 0 | 0 | 108.5 | A96 D109 I110 | A96-L103 HydrophobicContact CB-CD2 3.76Å; L103-D109 VanDerWaalsContact CA-OD2 3.28Å; L103-D109 WeakPolarHBondContact CA-OD2 3.38Å; L103-D109 HydrophobicContact CB-CB 4.44Å; L103-D109 WeakPolarHBondContact CB-OD2 3.33Å; L103-D109 HydrophobicContact CD2-CB 4.16Å; L103-I110 HydrophobicContact CD1-CD1 3.71Å; L103-I110 HydrophobicContact CD1-CG1 3.7Å; L103-I110 HydrophobicContact CD2-CD1 3.68Å; L103-I110 HydrophobicContact CG-CD1 4.36Å | ||
| 104 | I | 94.8 | Very high | 96 | Very high | 66 Ų | 66 | 53.9 Ų | 53.9 | 34% | 0.338 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -75.5 | -40.1 | -177.7 | -68.2 | 172.1 | 0 | 0 | 0 | 110.2 | V55 K58 Q100 Y102 D109 | V55-I104 HydrophobicContact CB-CD1 4.34Å; V55-I104 HydrophobicContact CG1-CB 3.8Å; V55-I104 HydrophobicContact CG1-CD1 4.06Å; V55-I104 HydrophobicContact CG1-CG1 4.37Å; V55-I104 HydrophobicContact CG1-CG2 4.33Å; V55-I104 HydrophobicContact CG2-CB 4.15Å; V55-I104 HydrophobicContact CG2-CD1 3.93Å; V55-I104 HydrophobicContact CG2-CG2 3.79Å; K58-I104 HydrophobicContact CD-CD1 4.26Å; Q100-I104 VanDerWaalsContact NE2-CD1 3.26Å; Y102-I104 HydrophobicContact CD2-CG1 4.33Å; Y102-I104 HydrophobicContact CE2-CG1 3.75Å; I104-D109 PolarHBondContact N-OD2 3.31Å |
| 105 | T | 94.1 | Very high | 96 | Very high | 48 Ų | 48 | 47.8 Ų | 47.8 | 29% | 0.294 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -116.6 | 22 | 179.3 | 77.1 | 0 | 0 | 0 | 0 | 113 | F52 E107 Q108 D109 | F52-T105 HydrophobicContact CD2-CG2 3.89Å; F52-T105 HydrophobicContact CE2-CG2 3.67Å; F52-T105 WeakPolarHBondContact CE2-OG1 3.25Å; T105-E107 PolarHBondContact O-N 2.64Å; T105-Q108 PolarHBondContact O-N 2.93Å; T105-Q108 WeakPolarHBondContact OG1-CB 3.39Å; T105-D109 WeakPolarHBondContact CB-OD1 3.11Å; T105-D109 PolarHBondContact N-OD1 3.42Å; T105-D109 PolarHBondContact N-OD2 3.32Å; T105-D109 PolarHBondContact OG1-N 3.14Å; T105-D109 PolarHBondContact OG1-OD1 3.19Å |
| 106 | G | 95.4 | Very high | 95.9 | Very high | 26 Ų | 26 | 45.7 Ų | 45.7 | 27% | 0.268 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.8 | -127.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q108 D109 | G106-Q108 PolarHBondContact O-N 3.11Å; G106-D109 WeakPolarHBondContact O-CB 3.42Å; G106-D109 PolarHBondContact O-N 2.76Å |
| 107 | E | 94.9 | Very high | 95.9 | Very high | 104 Ų | 104 | 50.8 Ų | 50.8 | 49% | 0.486 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -65.1 | -24.1 | -177.6 | 73.1 | -71.6 | 168 | 0 | 0 | 113.7 | N70 W89 T105 D109 I110 L111 | N70-E107 WeakPolarHBondContact ND2-CG 3.31Å; N70-E107 PolarHBondContact ND2-OE1 3.3Å; W89-E107 HydrophobicContact CH2-CB 3.91Å; W89-E107 HydrophobicContact CZ2-CB 3.93Å; T105-E107 PolarHBondContact O-N 2.64Å; E107-D109 VanDerWaalsContact C-N 3.3Å; E107-D109 PolarHBondContact O-N 3.46Å; E107-I110 PolarHBondContact O-N 3.37Å; E107-L111 WeakPolarHBondContact O-CB 3.39Å; E107-L111 PolarHBondContact O-N 3.3Å |
| 108 | Q | 97.3 | Very high | 95.8 | Very high | 9 Ų | 9 | 49 Ų | 49 | 4% | 0.042 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.7 | -37.7 | 173.8 | 172.7 | 172 | -51.4 | 0 | 0 | 111.2 | E47 F52 N69 N70 T105 G106 N112 | E47-Q108 PolarHBondContact OE2-NE2 3.44Å; F52-Q108 HydrophobicContact CE1-CG 4.37Å; F52-Q108 HydrophobicContact CE2-CG 4.04Å; F52-Q108 VanDerWaalsContact CE2-NE2 3.32Å; F52-Q108 HydrophobicContact CZ-CG 3.68Å; N69-Q108 PolarHBondContact ND2-OE1 3.06Å; N70-Q108 HydrophobicContact CB-CB 4.18Å; N70-Q108 PolarHBondContact OD1-OE1 3.37Å; N70-Q108 VanDerWaalsContact OD1-OE1 3.14Å; T105-Q108 PolarHBondContact O-N 2.93Å; T105-Q108 WeakPolarHBondContact OG1-CB 3.39Å; G106-Q108 PolarHBondContact O-N 3.11Å; Q108-N112 WeakPolarHBondContact CG-ND2 3.43Å; Q108-N112 WeakPolarHBondContact O-CB 3.14Å; Q108-N112 PolarHBondContact O-N 3.35Å; Q108-N112 PolarHBondContact O-ND2 2.69Å |
| 109 | D | 97.7 | Very high | 95.8 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -59.2 | -49.8 | 175.2 | -68 | -3.6 | 0 | 0 | 0 | 110.4 | V55 L59 L103 I104 T105 G106 E107 N112 L113 | V55-D109 WeakPolarHBondContact CG1-OD1 3.37Å; L59-D109 HydrophobicContact CD1-CB 3.74Å; L103-D109 VanDerWaalsContact CA-OD2 3.28Å; L103-D109 WeakPolarHBondContact CA-OD2 3.38Å; L103-D109 HydrophobicContact CB-CB 4.44Å; L103-D109 WeakPolarHBondContact CB-OD2 3.33Å; L103-D109 HydrophobicContact CD2-CB 4.16Å; I104-D109 PolarHBondContact N-OD2 3.31Å; T105-D109 WeakPolarHBondContact CB-OD1 3.11Å; T105-D109 PolarHBondContact N-OD1 3.42Å; T105-D109 PolarHBondContact N-OD2 3.32Å; T105-D109 PolarHBondContact OG1-N 3.14Å; T105-D109 PolarHBondContact OG1-OD1 3.19Å; G106-D109 WeakPolarHBondContact O-CB 3.42Å; G106-D109 PolarHBondContact O-N 2.76Å; E107-D109 VanDerWaalsContact C-N 3.3Å; E107-D109 PolarHBondContact O-N 3.46Å; D109-N112 PolarHBondContact O-N 2.77Å; D109-L113 WeakPolarHBondContact O-CG 3.48Å; D109-L113 PolarHBondContact O-N 3.44Å |
| 110 | I | 97.5 | Very high | 95.9 | Very high | 2 Ų | 2 | 48.4 Ų | 48.4 | 1% | 0.01 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -66.3 | -44.7 | -177.4 | -56.1 | -47.8 | 0 | 0 | 0 | 111 | W89 I92 T93 A96 L103 E107 N112 L113 V114 | W89-I110 HydrophobicContact CD2-CG2 3.72Å; W89-I110 HydrophobicContact CE3-CG2 3.77Å; W89-I110 HydrophobicContact CG-CG2 4.33Å; W89-I110 HydrophobicContact CH2-CB 3.99Å; W89-I110 HydrophobicContact CH2-CG2 3.98Å; W89-I110 HydrophobicContact CZ2-CB 4.02Å; W89-I110 HydrophobicContact CZ2-CG2 3.93Å; W89-I110 HydrophobicContact CZ3-CB 4.3Å; W89-I110 HydrophobicContact CZ3-CG2 3.91Å; I92-I110 HydrophobicContact CG2-CG2 4.17Å; T93-I110 HydrophobicContact CG2-CD1 4.38Å; T93-I110 HydrophobicContact CG2-CG1 4.46Å; T93-I110 WeakPolarHBondContact OG1-CG2 3.34Å; A96-I110 HydrophobicContact CB-CD1 3.75Å; L103-I110 HydrophobicContact CD1-CD1 3.71Å; L103-I110 HydrophobicContact CD1-CG1 3.7Å; L103-I110 HydrophobicContact CD2-CD1 3.68Å; L103-I110 HydrophobicContact CG-CD1 4.36Å; E107-I110 PolarHBondContact O-N 3.37Å; I110-N112 VanDerWaalsContact C-N 3.3Å; I110-N112 PolarHBondContact O-N 2.94Å; I110-L113 HydrophobicContact CD1-CD1 4.45Å; I110-L113 PolarHBondContact O-N 3.06Å; I110-V114 HydrophobicContact CG2-CG2 4.31Å; I110-V114 VanDerWaalsContact O-CG2 3.25Å; I110-V114 WeakPolarHBondContact O-CG2 3.27Å; I110-V114 PolarHBondContact O-N 3.01Å |
| 111 | L | 97.3 | Very high | 96.2 | Very high | 5 Ų | 5 | 47 Ų | 47 | 3% | 0.026 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.3 | -43.2 | 179.1 | -173.2 | 62.2 | 0 | 0 | 0 | 111.2 | I42 I44 N70 L73 W85 W89 E107 V114 L115 | I42-L111 HydrophobicContact CD1-CD1 3.98Å; I42-L111 HydrophobicContact CG2-CD1 4.25Å; I44-L111 HydrophobicContact CD1-CD2 3.57Å; I44-L111 HydrophobicContact CD1-CG 4.38Å; N70-L111 HydrophobicContact CB-CD2 4.2Å; L73-L111 HydrophobicContact CD1-CD2 4.36Å; L73-L111 HydrophobicContact CD2-CD2 3.48Å; L73-L111 VanDerWaalsContact CD2-CD2 3.48Å; W85-L111 HydrophobicContact CH2-CD1 3.97Å; W89-L111 HydrophobicContact CH2-CB 4.5Å; W89-L111 HydrophobicContact CZ3-CB 4.26Å; W89-L111 HydrophobicContact CZ3-CD1 4.26Å; E107-L111 WeakPolarHBondContact O-CB 3.39Å; E107-L111 PolarHBondContact O-N 3.3Å; L111-V114 PolarHBondContact O-N 3.2Å; L111-L115 HydrophobicContact CD1-CD1 4.28Å; L111-L115 HydrophobicContact CD1-CG 4.48Å; L111-L115 HydrophobicContact CG-CD1 3.97Å; L111-L115 WeakPolarHBondContact O-CB 3.37Å; L111-L115 VanDerWaalsContact O-CG 3.23Å; L111-L115 WeakPolarHBondContact O-CG 3.49Å; L111-L115 PolarHBondContact O-N 2.7Å |
| 112 | N | 98.2 | Very high | 96.3 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -64.8 | -41.7 | 175.9 | -87.3 | -85.5 | 0 | 0 | 0 | 112.4 | F52 M56 W63 G67 Y68 Q108 D109 I110 V114 L115 F116 | F52-N112 HydrophobicContact CE1-CB 4.12Å; F52-N112 HydrophobicContact CZ-CB 4.36Å; M56-N112 HydrophobicContact CE-CB 3.61Å; M56-N112 HydrophobicContact SD-CB 4.03Å; W63-N112 HydrophobicContact CH2-CB 3.62Å; W63-N112 WeakPolarHBondContact CH2-O 3.39Å; W63-N112 HydrophobicContact CZ2-CB 4.2Å; W63-N112 HydrophobicContact CZ3-CB 4.37Å; W63-N112 WeakPolarHBondContact CZ3-O 3.17Å; G67-N112 WeakPolarHBondContact CA-OD1 3.37Å; Y68-N112 PolarHBondContact N-OD1 3.48Å; Y68-N112 PolarHBondContact O-ND2 3.4Å; Q108-N112 WeakPolarHBondContact CG-ND2 3.43Å; Q108-N112 WeakPolarHBondContact O-CB 3.14Å; Q108-N112 PolarHBondContact O-N 3.35Å; Q108-N112 PolarHBondContact O-ND2 2.69Å; D109-N112 PolarHBondContact O-N 2.77Å; I110-N112 VanDerWaalsContact C-N 3.3Å; I110-N112 PolarHBondContact O-N 2.94Å; N112-V114 PolarHBondContact O-N 2.89Å; N112-L115 PolarHBondContact O-N 3.32Å; N112-F116 VanDerWaalsContact O-CB 3.27Å; N112-F116 WeakPolarHBondContact O-CB 3.2Å; N112-F116 PolarHBondContact O-N 3.12Å |
| 113 | L | 97.7 | Very high | 96.6 | Very high | 21 Ų | 21 | 40.4 Ų | 40.4 | 11% | 0.11 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -60 | -44.8 | 173.7 | -72.2 | 175.6 | 0 | 0 | 0 | 111.9 | M56 L59 N60 I92 A96 D109 I110 F116 E117 | M56-L113 HydrophobicContact CE-CD2 3.73Å; M56-L113 HydrophobicContact CE-CG 3.78Å; L59-L113 HydrophobicContact CB-CD1 4.3Å; L59-L113 HydrophobicContact CB-CD2 4.08Å; L59-L113 HydrophobicContact CD1-CD1 4.18Å; N60-L113 HydrophobicContact CB-CD2 4.16Å; I92-L113 HydrophobicContact CG2-CB 3.53Å; I92-L113 HydrophobicContact CG2-CD1 3.81Å; I92-L113 HydrophobicContact CG2-CG 4.34Å; A96-L113 HydrophobicContact CB-CD1 3.82Å; D109-L113 WeakPolarHBondContact O-CG 3.48Å; D109-L113 PolarHBondContact O-N 3.44Å; I110-L113 HydrophobicContact CD1-CD1 4.45Å; I110-L113 PolarHBondContact O-N 3.06Å; L113-F116 PolarHBondContact O-N 3.26Å; L113-E117 PolarHBondContact O-N 3.43Å; L113-E117 VanDerWaalsContact O-N 3.1Å |
| 114 | V | 96.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -61 | -49.2 | 176.6 | 175.9 | 0 | 0 | 0 | 0 | 110.8 | W85 I92 I110 L111 N112 F116 E117 F118 L121 | W85-V114 HydrophobicContact CZ3-CG1 3.81Å; I92-V114 HydrophobicContact CB-CG2 4.41Å; I92-V114 HydrophobicContact CD1-CB 4.14Å; I92-V114 HydrophobicContact CD1-CG2 3.49Å; I92-V114 VanDerWaalsContact CD1-CG2 3.49Å; I92-V114 HydrophobicContact CG2-CG2 4.36Å; I110-V114 HydrophobicContact CG2-CG2 4.31Å; I110-V114 VanDerWaalsContact O-CG2 3.25Å; I110-V114 WeakPolarHBondContact O-CG2 3.27Å; I110-V114 PolarHBondContact O-N 3.01Å; L111-V114 PolarHBondContact O-N 3.2Å; N112-V114 PolarHBondContact O-N 2.89Å; V114-F116 VanDerWaalsContact C-N 3.27Å; V114-F116 PolarHBondContact O-N 2.65Å; V114-E117 PolarHBondContact O-N 2.03Å; V114-F118 HydrophobicContact CG1-CD2 4.14Å; V114-F118 WeakPolarHBondContact O-CB 3.13Å; V114-F118 WeakPolarHBondContact O-CD2 3.48Å; V114-F118 PolarHBondContact O-N 3.48Å; V114-L121 HydrophobicContact CG1-CD1 4.39Å |
| 115 | L | 96.9 | Very high | 96.9 | Very high | 3 Ų | 3 | 39.7 Ų | 39.7 | 2% | 0.016 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -68.5 | -26.9 | -178.1 | -66.9 | 169.7 | 0 | 0 | 0 | 112.6 | I42 I44 Y68 L111 N112 K119 L121 L122 | I42-L115 HydrophobicContact CB-CD2 4.1Å; I42-L115 HydrophobicContact CD1-CD2 4.04Å; I42-L115 HydrophobicContact CG2-CD1 4.47Å; I42-L115 HydrophobicContact CG2-CD2 4.27Å; I44-L115 HydrophobicContact CG2-CD1 3.83Å; Y68-L115 HydrophobicContact CD2-CD1 4.31Å; L111-L115 HydrophobicContact CD1-CD1 4.28Å; L111-L115 HydrophobicContact CD1-CG 4.48Å; L111-L115 HydrophobicContact CG-CD1 3.97Å; L111-L115 WeakPolarHBondContact O-CB 3.37Å; L111-L115 VanDerWaalsContact O-CG 3.23Å; L111-L115 WeakPolarHBondContact O-CG 3.49Å; L111-L115 PolarHBondContact O-N 2.7Å; N112-L115 PolarHBondContact O-N 3.32Å; L115-K119 VanDerWaalsContact O-CA 3.31Å; L115-K119 WeakPolarHBondContact O-CA 3.23Å; L115-K119 VanDerWaalsContact O-CG 3.3Å; L115-K119 WeakPolarHBondContact O-CG 3.03Å; L115-K119 PolarHBondContact O-N 2.65Å; L115-L121 HydrophobicContact CD2-CB 4.43Å; L115-L122 HydrophobicContact CD1-CD1 4.18Å; L115-L122 HydrophobicContact CD2-CB 3.94Å; L115-L122 HydrophobicContact CD2-CD1 4.27Å |
| 116 | F | 96.1 | Very high | 97.1 | Very high | 64 Ų | 64 | 38.9 Ų | 38.9 | 28% | 0.281 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -71.4 | -41.1 | 173.5 | -174.5 | -88.6 | 0 | 0 | 0 | 112.5 | N60 W63 N112 L113 V114 | N60-F116 VanDerWaalsContact ND2-CE1 3.31Å; N60-F116 WeakPolarHBondContact ND2-CE1 3.34Å; W63-F116 HydrophobicContact CD2-CD2 4.2Å; W63-F116 HydrophobicContact CD2-CE2 4.44Å; W63-F116 HydrophobicContact CE3-CB 4.09Å; W63-F116 HydrophobicContact CE3-CD1 4.47Å; W63-F116 AromaticContact CE3-CD2 3.53Å; W63-F116 HydrophobicContact CE3-CD2 3.53Å; W63-F116 HydrophobicContact CE3-CE2 4.03Å; W63-F116 AromaticContact CE3-CG 3.79Å; W63-F116 HydrophobicContact CE3-CG 3.79Å; W63-F116 HydrophobicContact CH2-CB 3.92Å; W63-F116 HydrophobicContact CH2-CD2 4.08Å; W63-F116 HydrophobicContact CH2-CG 4.34Å; W63-F116 HydrophobicContact CZ3-CB 3.3Å; W63-F116 HydrophobicContact CZ3-CD1 4.47Å; W63-F116 AromaticContact CZ3-CD2 3.49Å; W63-F116 HydrophobicContact CZ3-CD2 3.49Å; W63-F116 VanDerWaalsContact CZ3-CD2 3.49Å; W63-F116 HydrophobicContact CZ3-CE2 4.43Å; W63-F116 AromaticContact CZ3-CG 3.52Å; W63-F116 HydrophobicContact CZ3-CG 3.52Å; N112-F116 VanDerWaalsContact O-CB 3.27Å; N112-F116 WeakPolarHBondContact O-CB 3.2Å; N112-F116 PolarHBondContact O-N 3.12Å; L113-F116 PolarHBondContact O-N 3.26Å; V114-F116 VanDerWaalsContact C-N 3.27Å; V114-F116 PolarHBondContact O-N 2.65Å |
| 117 | E | 95 | Very high | 97.2 | Very high | 111 Ų | 111 | 38.4 Ų | 38.4 | 52% | 0.519 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -75.3 | -39.7 | 176.8 | -169.8 | 171.9 | 164.3 | 0 | 0 | 111.9 | L113 V114 | L113-E117 PolarHBondContact O-N 3.43Å; L113-E117 VanDerWaalsContact O-N 3.1Å; V114-E117 PolarHBondContact O-N 2.03Å |
| 118 | F | 95.8 | Very high | 97.3 | Very high | 45 Ų | 45 | 34.4 Ų | 34.4 | 20% | 0.197 | 16% | 0.162 | C | C | . | . | trans | -118.5 | 58.4 | -174 | -55.6 | -75.5 | 0 | 0 | 0 | 112 | L88 I92 V114 H120 L121 | L88-F118 HydrophobicContact CD1-CD2 4.41Å; L88-F118 HydrophobicContact CD1-CE2 4.24Å; L88-F118 HydrophobicContact CD1-CZ 4.44Å; L88-F118 HydrophobicContact CD2-CE1 4.4Å; L88-F118 HydrophobicContact CD2-CE2 3.71Å; L88-F118 HydrophobicContact CD2-CZ 3.57Å; L88-F118 HydrophobicContact CG-CE2 4.46Å; I92-F118 HydrophobicContact CD1-CE2 4.11Å; V114-F118 HydrophobicContact CG1-CD2 4.14Å; V114-F118 WeakPolarHBondContact O-CB 3.13Å; V114-F118 WeakPolarHBondContact O-CD2 3.48Å; V114-F118 PolarHBondContact O-N 3.48Å; F118-H120 AromaticContact CD1-CE1 3.97Å; F118-H120 PolarHBondContact O-N 3.33Å; F118-L121 HydrophobicContact CB-CD1 3.71Å; F118-L121 HydrophobicContact CB-CG 4.01Å; F118-L121 HydrophobicContact CG-CD1 4.49Å; F118-L121 WeakPolarHBondContact O-CB 3.24Å; F118-L121 WeakPolarHBondContact O-CG 3.31Å; F118-L121 PolarHBondContact O-N 3.17Å | ||
| 119 | K | 96 | Very high | 97.4 | Very high | 140 Ų | 140 | 34 Ų | 34 | 61% | 0.609 | 16% | 0.16 | S | C | * | . | G | 310 helix | trans | -53.1 | -24.6 | -177.2 | -66.4 | -175.4 | -179.6 | -177.2 | 0 | 115.2 | L115 L121 L122 | L115-K119 VanDerWaalsContact O-CA 3.31Å; L115-K119 WeakPolarHBondContact O-CA 3.23Å; L115-K119 VanDerWaalsContact O-CG 3.3Å; L115-K119 WeakPolarHBondContact O-CG 3.03Å; L115-K119 PolarHBondContact O-N 2.65Å; K119-L121 PolarHBondContact O-N 3.03Å; K119-L122 WeakPolarHBondContact O-CB 3.28Å; K119-L122 PolarHBondContact O-N 3.01Å |
| 120 | H | 96.9 | Very high | 97.4 | Very high | 98 Ų | 98 | 34 Ų | 34 | 45% | 0.454 | 16% | 0.16 | S | C | . | . | G | 310 helix | trans | -68.8 | -13.9 | 178 | 64.8 | -96.2 | 0 | 0 | 0 | 114 | T39 Q40 F118 | T39-H120 CarbonylContact C-O 3.37Å; T39-H120 PolarHBondContact OG1-O 2.87Å; Q40-H120 WeakPolarHBondContact CA-O 3.48Å; Q40-H120 PolarHBondContact N-O 2.96Å; F118-H120 AromaticContact CD1-CE1 3.97Å; F118-H120 PolarHBondContact O-N 3.33Å |
| 121 | L | 97.5 | Very high | 97.4 | Very high | 3 Ų | 3 | 34 Ų | 34 | 2% | 0.016 | 16% | 0.16 | C | C | . | . | G | 310 helix | trans | -81.7 | -21.1 | 174.1 | -57.7 | 179.6 | 0 | 0 | 0 | 112.4 | S41 I42 T83 V114 L115 F118 K119 | S41-L121 PolarHBondContact N-O 2.64Å; I42-L121 PolarHBondContact N-O 3.17Å; T83-L121 HydrophobicContact CG2-CD2 4.12Å; V114-L121 HydrophobicContact CG1-CD1 4.39Å; L115-L121 HydrophobicContact CD2-CB 4.43Å; F118-L121 HydrophobicContact CB-CD1 3.71Å; F118-L121 HydrophobicContact CB-CG 4.01Å; F118-L121 HydrophobicContact CG-CD1 4.49Å; F118-L121 WeakPolarHBondContact O-CB 3.24Å; F118-L121 WeakPolarHBondContact O-CG 3.31Å; F118-L121 PolarHBondContact O-N 3.17Å; K119-L121 PolarHBondContact O-N 3.03Å |
| 122 | L | 98.2 | Very high | 97.4 | Very high | 26 Ų | 26 | 33.9 Ų | 33.9 | 14% | 0.136 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 128.1 | -171.6 | 172.3 | 68.3 | 0 | 0 | 0 | 112.4 | Q40 I44 Y68 L115 K119 | Q40-L122 VanDerWaalsContact CG-O 3.29Å; Q40-L122 WeakPolarHBondContact CG-O 3.45Å; Q40-L122 PolarHBondContact NE2-O 3.22Å; I44-L122 HydrophobicContact CG2-CD1 3.52Å; Y68-L122 HydrophobicContact CD1-CD1 4.41Å; Y68-L122 HydrophobicContact CE1-CD1 4Å; Y68-L122 HydrophobicContact CE1-CD2 4.24Å; Y68-L122 HydrophobicContact CE2-CD1 4.15Å; Y68-L122 HydrophobicContact CE2-CD2 3.91Å; Y68-L122 VanDerWaalsContact CZ-CD2 3.48Å; Y68-L122 WeakPolarHBondContact OH-CD2 3.27Å; L115-L122 HydrophobicContact CD1-CD1 4.18Å; L115-L122 HydrophobicContact CD2-CB 3.94Å; L115-L122 HydrophobicContact CD2-CD1 4.27Å; K119-L122 WeakPolarHBondContact O-CB 3.28Å; K119-L122 PolarHBondContact O-N 3.01Å |
| 123 | Y | 98.5 | Very high | 97.2 | Very high | 34 Ų | 34 | 33.9 Ų | 33.9 | 13% | 0.133 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 122.7 | 156.4 | -174.7 | -85.3 | 0 | 0 | 0 | 108.7 | Y32 Y35 F36 I42 G43 I44 I125 | Y32-Y123 AromaticContact CD1-CE1 3.79Å; Y32-Y123 HydrophobicContact CD1-CE1 3.79Å; Y32-Y123 AromaticContact CD1-CZ 3.94Å; Y32-Y123 VanDerWaalsContact CD1-OH 3.31Å; Y32-Y123 WeakPolarHBondContact CD1-OH 3.23Å; Y32-Y123 HydrophobicContact CG-CE1 4.45Å; Y35-Y123 WeakPolarHBondContact CB-OH 3.14Å; F36-Y123 AromaticContact CD1-CD1 3.98Å; F36-Y123 HydrophobicContact CD1-CD1 3.98Å; F36-Y123 AromaticContact CD1-CD2 3.5Å; F36-Y123 HydrophobicContact CD1-CD2 3.5Å; F36-Y123 HydrophobicContact CD1-CE2 4.09Å; F36-Y123 AromaticContact CD1-CG 3.45Å; F36-Y123 HydrophobicContact CD1-CG 3.45Å; F36-Y123 VanDerWaalsContact CD1-CG 3.45Å; F36-Y123 VanDerWaalsContact CE1-CB 3.45Å; F36-Y123 AromaticContact CE1-CD1 3.44Å; F36-Y123 HydrophobicContact CE1-CD1 3.44Å; F36-Y123 VanDerWaalsContact CE1-CD1 3.44Å; F36-Y123 AromaticContact CE1-CD2 3.85Å; F36-Y123 HydrophobicContact CE1-CD2 3.85Å; F36-Y123 HydrophobicContact CE1-CE1 4.14Å; F36-Y123 HydrophobicContact CE1-CE2 4.49Å; F36-Y123 AromaticContact CE1-CG 3.28Å; F36-Y123 HydrophobicContact CE1-CG 3.28Å; F36-Y123 HydrophobicContact CG-CD2 4.38Å; F36-Y123 HydrophobicContact CG-CG 4.44Å; F36-Y123 HydrophobicContact CZ-CD1 4.32Å; F36-Y123 HydrophobicContact CZ-CG 4.13Å; I42-Y123 PolarHBondContact O-N 3.4Å; G43-Y123 CarbonylContact C-O 3.4Å; G43-Y123 WeakPolarHBondContact CA-O 3.31Å; I44-Y123 PolarHBondContact N-O 3.45Å; Y123-I125 HydrophobicContact CD1-CG2 4.05Å; Y123-I125 HydrophobicContact CE1-CG2 4.29Å; Y123-I125 PolarHBondContact O-N 3.46Å |
| 124 | E | 98.3 | Very high | 97 | Very high | 95 Ų | 95 | 33.7 Ų | 33.7 | 44% | 0.444 | 16% | 0.159 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 114.5 | 176.1 | -175.1 | 176.4 | 117 | 0 | 0 | 109.1 | L46 Y68 | L46-E124 HydrophobicContact CD2-CG 4.32Å; L46-E124 VanDerWaalsContact CD2-OE2 3.31Å; L46-E124 WeakPolarHBondContact CD2-OE2 3.1Å; L46-E124 HydrophobicContact CG-CG 4.15Å; Y68-E124 HydrophobicContact CE1-CB 4.45Å; Y68-E124 HydrophobicContact CE1-CG 4.1Å |
| 125 | I | 98.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 19% | 0.191 | C | C | . | . | trans | -75.4 | 148.6 | 175.9 | 71.3 | -173.1 | 0 | 0 | 0 | 109.8 | L29 I44 V72 L74 Y123 C127 W129 | L29-I125 HydrophobicContact CD1-CD1 4.49Å; I44-I125 PolarHBondContact O-N 2.93Å; V72-I125 HydrophobicContact CB-CD1 4.07Å; V72-I125 HydrophobicContact CG1-CD1 3.62Å; L74-I125 HydrophobicContact CD1-CG2 4.25Å; L74-I125 HydrophobicContact CD2-CG2 4.32Å; Y123-I125 HydrophobicContact CD1-CG2 4.05Å; Y123-I125 HydrophobicContact CE1-CG2 4.29Å; Y123-I125 PolarHBondContact O-N 3.46Å; I125-C127 PolarHBondContact O-N 3.2Å; I125-W129 HydrophobicContact CD1-CB 4Å; I125-W129 HydrophobicContact CG1-CB 4.3Å | ||
| 126 | P | 98.1 | Very high | 96.5 | Very high | 31 Ų | 31 | 42.4 Ų | 42.4 | 20% | 0.201 | 21% | 0.211 | C | C | . | . | trans | -55.6 | 135.2 | 176.8 | -27.7 | 36.8 | 0 | 0 | 0 | 112.2 | Y32 E128 W129 | Y32-P126 VanDerWaalsContact CE1-CD 3.48Å; Y32-P126 HydrophobicContact CE1-CG 3.56Å; Y32-P126 WeakPolarHBondContact OH-CG 3.41Å; P126-E128 VanDerWaalsContact CB-CD 3.43Å; P126-E128 HydrophobicContact CB-CG 4.36Å; P126-E128 WeakPolarHBondContact CB-OE2 3.49Å; P126-E128 PolarHBondContact O-N 3.46Å; P126-W129 WeakPolarHBondContact O-CB 3.41Å; P126-W129 PolarHBondContact O-N 3.24Å | ||
| 127 | C | 97.8 | Very high | 96.4 | Very high | 16 Ų | 16 | 39.8 Ų | 39.8 | 11% | 0.108 | 20% | 0.201 | C | C | . | . | G | 310 helix | trans | -59.7 | -24.9 | -168.7 | 73.2 | 0 | 0 | 0 | 0 | 114.4 | I125 W129 N130 I131 C142 | I125-C127 PolarHBondContact O-N 3.2Å; C127-W129 PolarHBondContact O-N 3.29Å; C127-W129 VanDerWaalsContact O-N 3.13Å; C127-N130 CarbonylContact O-C 3.58Å; C127-N130 PolarHBondContact O-N 2.87Å; C127-I131 WeakPolarHBondContact O-CD1 3.5Å; C127-C142 HydrophobicContact CB-CB 3.53Å; C127-C142 WeakPolarHBondContact CB-SG 3.45Å; C127-C142 WeakPolarHBondContact SG-CA 3.36Å; C127-C142 WeakPolarHBondContact SG-CB 3.42Å; C127-C142 CovalentContact SG-SG 2.03Å; C127-C142 PolarHBondContact SG-SG 2.77Å |
| 128 | E | 97.8 | Very high | 96.4 | Very high | 20 Ų | 20 | 36.5 Ų | 36.5 | 9% | 0.093 | 19% | 0.187 | C | C | . | . | G | 310 helix | trans | -62.8 | -14.6 | 174.8 | 62.2 | -93.1 | -137 | 0 | 0 | 114 | P126 C142 K162 Q163 K165 L166 | P126-E128 VanDerWaalsContact CB-CD 3.43Å; P126-E128 HydrophobicContact CB-CG 4.36Å; P126-E128 WeakPolarHBondContact CB-OE2 3.49Å; P126-E128 PolarHBondContact O-N 3.46Å; E128-C142 PolarHBondContact N-SG 2.9Å; E128-K162 HydrophobicContact CB-CB 4.44Å; E128-K162 IonicContact OE1-NZ 2.74Å; E128-K162 PolarHBondContact OE1-NZ 3.21Å; E128-K162 WeakPolarHBondContact OE2-CD 3.33Å; E128-K162 WeakPolarHBondContact OE2-CE 3.24Å; E128-K162 IonicContact OE2-NZ 3.91Å; E128-K162 PolarHBondContact OE2-NZ 3.09Å; E128-Q163 WeakPolarHBondContact CB-O 3.35Å; E128-K165 HydrophobicContact CB-CG 4.48Å; E128-K165 HydrophobicContact CG-CD 4.01Å; E128-K165 HydrophobicContact CG-CG 4.04Å; E128-K165 WeakPolarHBondContact O-CA 3.47Å; E128-K165 WeakPolarHBondContact O-CB 3.46Å; E128-K165 PolarHBondContact O-N 3.35Å; E128-L166 PolarHBondContact O-N 3.12Å; E128-L166 VanDerWaalsContact O-N 3.1Å |
| 129 | W | 98.5 | Very high | 96.2 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 19% | 0.191 | C | C | . | . | G | 310 helix | trans | -86.2 | -2.4 | 172.4 | -74.9 | 113 | 0 | 0 | 0 | 114.5 | L22 T24 E28 L29 Y32 V72 I125 P126 C127 K165 L166 | L22-W129 HydrophobicContact CD1-CZ3 4.01Å; T24-W129 HydrophobicContact CG2-CH2 3.41Å; T24-W129 VanDerWaalsContact CG2-CH2 3.41Å; T24-W129 HydrophobicContact CG2-CZ2 4.14Å; T24-W129 HydrophobicContact CG2-CZ3 3.88Å; E28-W129 HydrophobicContact CB-CH2 3.83Å; E28-W129 HydrophobicContact CB-CZ2 3.52Å; L29-W129 HydrophobicContact CB-CD2 4.1Å; L29-W129 HydrophobicContact CB-CE3 3.89Å; L29-W129 HydrophobicContact CB-CH2 3.61Å; L29-W129 HydrophobicContact CB-CZ2 3.79Å; L29-W129 HydrophobicContact CB-CZ3 3.66Å; L29-W129 HydrophobicContact CD1-CB 4.2Å; L29-W129 HydrophobicContact CD1-CD2 3.7Å; L29-W129 HydrophobicContact CD1-CE3 4.08Å; L29-W129 HydrophobicContact CD1-CG 3.77Å; L29-W129 HydrophobicContact CD2-CD2 4.48Å; L29-W129 HydrophobicContact CD2-CE3 4.01Å; L29-W129 HydrophobicContact CD2-CZ3 4.34Å; L29-W129 HydrophobicContact CG-CD2 4.3Å; L29-W129 HydrophobicContact CG-CE3 4.21Å; L29-W129 HydrophobicContact CG-CZ3 4.44Å; L29-W129 VanDerWaalsContact N-CZ2 3.27Å; Y32-W129 AromaticContact CE2-NE1 3.38Å; Y32-W129 AromaticContact CZ-NE1 4Å; V72-W129 WeakPolarHBondContact CG2-O 3.48Å; I125-W129 HydrophobicContact CD1-CB 4Å; I125-W129 HydrophobicContact CG1-CB 4.3Å; P126-W129 WeakPolarHBondContact O-CB 3.41Å; P126-W129 PolarHBondContact O-N 3.24Å; C127-W129 PolarHBondContact O-N 3.29Å; C127-W129 VanDerWaalsContact O-N 3.13Å; W129-K165 HydrophobicContact CD2-CB 3.83Å; W129-K165 HydrophobicContact CD2-CD 3.99Å; W129-K165 VanDerWaalsContact CE2-CD 3.41Å; W129-K165 HydrophobicContact CE3-CB 3.71Å; W129-K165 HydrophobicContact CG-CB 4.49Å; W129-K165 HydrophobicContact CH2-CB 4.16Å; W129-K165 HydrophobicContact CH2-CD 4.05Å; W129-K165 HydrophobicContact CZ2-CB 4.29Å; W129-K165 HydrophobicContact CZ2-CD 3.46Å; W129-K165 VanDerWaalsContact CZ2-CD 3.46Å; W129-K165 HydrophobicContact CZ2-CG 4.49Å; W129-K165 HydrophobicContact CZ3-CB 3.87Å; W129-L166 HydrophobicContact CE3-CB 4.17Å; W129-L166 WeakPolarHBondContact O-CB 3.42Å |
| 130 | N | 98.1 | Very high | 96 | Very high | 1 Ų | 1 | 36.9 Ų | 36.9 | 1% | 0.005 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -152.4 | 66.6 | 173.6 | -171.3 | 0.7 | 0 | 0 | 0 | 110.2 | Q48 N69 V72 C127 Q132 H168 | Q48-N130 PolarHBondContact NE2-O 3.08Å; N69-N130 PolarHBondContact O-ND2 3.1Å; N69-N130 PolarHBondContact OD1-ND2 2.83Å; V72-N130 HydrophobicContact CB-CB 4.29Å; V72-N130 HydrophobicContact CG2-CB 4.06Å; C127-N130 CarbonylContact O-C 3.58Å; C127-N130 PolarHBondContact O-N 2.87Å; N130-Q132 PolarHBondContact O-N 3.43Å; N130-Q132 PolarHBondContact O-NE2 3.27Å; N130-H168 WeakPolarHBondContact OD1-CB 3.35Å; N130-H168 PolarHBondContact OD1-ND1 3.49Å |
| 131 | I | 97.7 | Very high | 95.9 | Very high | 1 Ų | 1 | 35.4 Ų | 35.4 | 1% | 0.005 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 110.1 | 175.8 | -60.1 | -62.7 | 0 | 0 | 0 | 109.7 | C127 L133 C142 V144 P164 L166 I167 H168 L200 | C127-I131 WeakPolarHBondContact O-CD1 3.5Å; I131-L133 HydrophobicContact CG2-CD2 4.45Å; I131-C142 HydrophobicContact CD1-CB 3.8Å; I131-C142 WeakPolarHBondContact CD1-SG 3.24Å; I131-V144 HydrophobicContact CD1-CG1 3.63Å; I131-V144 HydrophobicContact CD1-CG2 4.04Å; I131-V144 HydrophobicContact CG1-CG1 4.39Å; I131-V144 HydrophobicContact CG1-CG2 4.48Å; I131-V144 HydrophobicContact CG2-CG2 4.49Å; I131-P164 HydrophobicContact CG1-CB 3.86Å; I131-L166 PolarHBondContact N-O 3.01Å; I131-I167 HydrophobicContact CB-CG1 4.23Å; I131-I167 HydrophobicContact CG2-CG2 4.49Å; I131-I167 CarbonylContact O-C 3.47Å; I131-I167 WeakPolarHBondContact O-CA 3.47Å; I131-H168 PolarHBondContact O-N 2.73Å; I131-L200 HydrophobicContact CG2-CD1 4.08Å |
| 132 | Q | 97 | Very high | 95.9 | Very high | 3 Ų | 3 | 35.4 Ų | 35.4 | 1% | 0.014 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 137.7 | -173.7 | -69.1 | 148.9 | 40.9 | 0 | 0 | 111.5 | L46 E47 Q48 N130 | L46-Q132 PolarHBondContact O-NE2 2.82Å; E47-Q132 PolarHBondContact OE1-OE1 3.32Å; Q48-Q132 HydrophobicContact CB-CB 4.26Å; Q48-Q132 HydrophobicContact CG-CB 4.38Å; N130-Q132 PolarHBondContact O-N 3.43Å; N130-Q132 PolarHBondContact O-NE2 3.27Å |
| 133 | L | 95.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 19% | 0.193 | C | C | . | . | trans | -109.5 | 9.6 | -179.3 | -55.7 | -176.1 | 0 | 0 | 0 | 113.6 | I131 I167 H168 I169 N170 H171 L200 F204 | I131-L133 HydrophobicContact CG2-CD2 4.45Å; L133-I167 HydrophobicContact CD1-CG2 3.63Å; L133-I167 HydrophobicContact CD2-CG2 4.19Å; L133-I167 HydrophobicContact CG-CG2 3.84Å; L133-H168 PolarHBondContact N-O 2.93Å; L133-H168 VanDerWaalsContact N-O 3.11Å; L133-I169 HydrophobicContact CD1-CB 4.29Å; L133-I169 HydrophobicContact CD1-CD1 4.27Å; L133-I169 HydrophobicContact CD1-CG1 4.28Å; L133-N170 PolarHBondContact N-OD1 2.76Å; L133-H171 PolarHBondContact O-CD2 2.61Å; L133-H171 VanDerWaalsContact O-CD2 3.26Å; L133-L200 HydrophobicContact CD2-CB 3.65Å; L133-L200 HydrophobicContact CD2-CD1 4.41Å; L133-F204 HydrophobicContact CD1-CB 3.85Å; L133-F204 HydrophobicContact CD1-CD2 4.06Å; L133-F204 HydrophobicContact CD1-CG 3.96Å | ||
| 134 | S | 93.4 | Very high | 95.7 | Very high | 16 Ų | 16 | 34.9 Ų | 34.9 | 11% | 0.112 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -61.3 | 137.6 | 177 | 72.3 | 0 | 0 | 0 | 0 | 111.5 | N49 G136 S137 N170 Q197 | N49-S134 PolarHBondContact ND2-OG 2.96Å; S134-G136 PolarHBondContact O-N 3.26Å; S134-S137 WeakPolarHBondContact O-CB 3.2Å; S134-S137 PolarHBondContact O-N 2.77Å; S134-S137 PolarHBondContact O-OG 3Å; S134-S137 PolarHBondContact OG-OG 3.24Å; S134-N170 WeakPolarHBondContact CB-O 3.47Å; S134-N170 WeakPolarHBondContact CB-OD1 3.2Å; S134-N170 PolarHBondContact N-OD1 2.86Å; S134-Q197 PolarHBondContact O-NE2 3.42Å |
| 135 | E | 90.3 | Very high | 95.7 | Very high | 145 Ų | 145 | 30.4 Ų | 30.4 | 68% | 0.678 | 17% | 0.167 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -50.9 | 127.4 | 179.6 | -176 | 174.1 | -165.5 | 0 | 0 | 111.8 | N49 | N49-E135 PolarHBondContact ND2-O 3.12Š|
| 136 | G | 92.4 | Very high | 95.6 | Very high | 42 Ų | 42 | 31 Ų | 31 | 43% | 0.433 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 90.8 | -2.8 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | P50 S134 D138 | P50-G136 WeakPolarHBondContact CD-O 3.27Å; S134-G136 PolarHBondContact O-N 3.26Å; G136-D138 PolarHBondContact O-N 2.52Å |
| 137 | S | 94.4 | Very high | 95.5 | Very high | 9 Ų | 9 | 29.8 Ų | 29.8 | 6% | 0.063 | 16% | 0.161 | C | C | . | . | trans | -54.8 | 129.3 | 170.8 | -54.6 | 0 | 0 | 0 | 0 | 111.2 | Q48 S134 P139 Q197 | Q48-S137 WeakPolarHBondContact O-CA 3.23Å; S134-S137 WeakPolarHBondContact O-CB 3.2Å; S134-S137 PolarHBondContact O-N 2.77Å; S134-S137 PolarHBondContact O-OG 3Å; S134-S137 PolarHBondContact OG-OG 3.24Å; S137-P139 WeakPolarHBondContact O-CD 3.43Å; S137-Q197 VanDerWaalsContact CB-NE2 3.27Å | ||
| 138 | D | 94.1 | Very high | 95.4 | Very high | 42 Ų | 42 | 31 Ų | 31 | 23% | 0.225 | 17% | 0.168 | C | C | . | . | trans | -81.8 | 110.8 | -177.1 | -180 | 0.3 | 0 | 0 | 0 | 110.7 | Q48 Y66 G136 H140 R141 | Q48-D138 PolarHBondContact O-N 3.27Å; Y66-D138 HydrophobicContact CE2-CB 4.08Å; Y66-D138 PolarHBondContact OH-OD2 3.13Å; G136-D138 PolarHBondContact O-N 2.52Å; D138-H140 PolarHBondContact O-N 3.46Å; D138-H140 VanDerWaalsContact O-N 3.12Å; D138-H140 VanDerWaalsContact OD1-CB 3.3Å; D138-H140 WeakPolarHBondContact OD1-CB 3.43Å; D138-H140 IonicContact OD1-CD2 3.8Å; D138-H140 PolarHBondContact OD1-CD2 3.05Å; D138-H140 IonicContact OD1-CG 3.39Å; D138-H140 PolarHBondContact OD1-N 2.96Å; D138-R141 HydrophobicContact CB-CB 4.38Å; D138-R141 VanDerWaalsContact O-CB 3.27Å; D138-R141 WeakPolarHBondContact O-CB 3.43Å; D138-R141 PolarHBondContact O-N 2.83Å | ||
| 139 | P | 91 | Very high | 95.2 | Very high | 43 Ų | 43 | 37.4 Ų | 37.4 | 28% | 0.279 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -16.6 | -179.5 | 28.6 | -35.5 | 0 | 0 | 0 | 113.2 | S137 R141 C142 P143 | S137-P139 WeakPolarHBondContact O-CD 3.43Å; P139-R141 VanDerWaalsContact C-N 3.26Å; P139-C142 CarbonylContact O-C 3.52Å; P139-C142 VanDerWaalsContact O-C 3.26Å; P139-P143 WeakPolarHBondContact O-CA 3.4Å |
| 140 | H | 93 | Very high | 95 | Very high | 149 Ų | 149 | 43.5 Ų | 43.5 | 69% | 0.69 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.2 | -17.6 | 174.2 | -62.5 | -68.6 | 0 | 0 | 0 | 112.7 | D138 | D138-H140 PolarHBondContact O-N 3.46Å; D138-H140 VanDerWaalsContact O-N 3.12Å; D138-H140 VanDerWaalsContact OD1-CB 3.3Å; D138-H140 WeakPolarHBondContact OD1-CB 3.43Å; D138-H140 IonicContact OD1-CD2 3.8Å; D138-H140 PolarHBondContact OD1-CD2 3.05Å; D138-H140 IonicContact OD1-CG 3.39Å; D138-H140 PolarHBondContact OD1-N 2.96Å |
| 141 | R | 94.7 | Very high | 95 | Very high | 67 Ų | 67 | 44.8 Ų | 44.8 | 25% | 0.253 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | -30.6 | 176.5 | -162.7 | 134.2 | 173.5 | 131.7 | 2.1 | 112.6 | E47 Q48 Y66 D138 P139 | E47-R141 VanDerWaalsContact O-CD 3.28Å; E47-R141 WeakPolarHBondContact O-CD 3.44Å; E47-R141 PolarHBondContact O-NE 3.38Å; Q48-R141 HydrophobicContact CB-CB 4.46Å; Q48-R141 HydrophobicContact CG-CB 4.41Å; Q48-R141 HydrophobicContact CG-CG 4.39Å; Y66-R141 VanDerWaalsContact CB-CZ 3.48Å; Y66-R141 VanDerWaalsContact CD2-CZ 3.49Å; Y66-R141 VanDerWaalsContact CD2-NE 3.32Å; Y66-R141 VanDerWaalsContact CE2-CD 3.41Å; Y66-R141 VanDerWaalsContact CG-CZ 3.42Å; Y66-R141 VanDerWaalsContact CG-NH1 3.29Å; D138-R141 HydrophobicContact CB-CB 4.38Å; D138-R141 VanDerWaalsContact O-CB 3.27Å; D138-R141 WeakPolarHBondContact O-CB 3.43Å; D138-R141 PolarHBondContact O-N 2.83Å; P139-R141 VanDerWaalsContact C-N 3.26Å |
| 142 | C | 96.6 | Very high | 94.9 | Very high | 4 Ų | 4 | 46 Ų | 46 | 3% | 0.027 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -143 | 84.9 | 167.1 | -163.1 | 0 | 0 | 0 | 0 | 111.8 | C127 E128 I131 P139 V144 | C127-C142 HydrophobicContact CB-CB 3.53Å; C127-C142 WeakPolarHBondContact CB-SG 3.45Å; C127-C142 WeakPolarHBondContact SG-CA 3.36Å; C127-C142 WeakPolarHBondContact SG-CB 3.42Å; C127-C142 CovalentContact SG-SG 2.03Å; C127-C142 PolarHBondContact SG-SG 2.77Å; E128-C142 PolarHBondContact N-SG 2.9Å; I131-C142 HydrophobicContact CD1-CB 3.8Å; I131-C142 WeakPolarHBondContact CD1-SG 3.24Å; P139-C142 CarbonylContact O-C 3.52Å; P139-C142 VanDerWaalsContact O-C 3.26Å; C142-V144 PolarHBondContact O-N 3.49Å; C142-V144 VanDerWaalsContact O-N 3.11Å |
| 143 | P | 96.5 | Very high | 94.9 | Very high | 46 Ų | 46 | 54.1 Ų | 54.1 | 30% | 0.299 | 27% | 0.266 | S | S | . | . | trans | -71.9 | 109.8 | -179.1 | 28.2 | -33.1 | 0 | 0 | 0 | 110.2 | P139 I194 | P139-P143 WeakPolarHBondContact O-CA 3.4Å; P143-I194 HydrophobicContact CB-CD1 3.59Å; P143-I194 HydrophobicContact CB-CG1 3.87Å; P143-I194 HydrophobicContact CB-CG2 4.16Å | ||
| 144 | V | 97.4 | Very high | 95 | Very high | 2 Ų | 2 | 61.2 Ų | 61.2 | 1% | 0.012 | 30% | 0.296 | C | S | . | . | B | Isolated β-bridge | trans | -122.8 | 143.2 | 177.4 | -66.2 | 0 | 0 | 0 | 0 | 111.4 | I131 C142 K162 I194 L195 L200 | I131-V144 HydrophobicContact CD1-CG1 3.63Å; I131-V144 HydrophobicContact CD1-CG2 4.04Å; I131-V144 HydrophobicContact CG1-CG1 4.39Å; I131-V144 HydrophobicContact CG1-CG2 4.48Å; I131-V144 HydrophobicContact CG2-CG2 4.49Å; C142-V144 PolarHBondContact O-N 3.49Å; C142-V144 VanDerWaalsContact O-N 3.11Å; V144-K162 VanDerWaalsContact CA-O 3.24Å; V144-K162 WeakPolarHBondContact CA-O 3.34Å; V144-K162 VanDerWaalsContact CB-O 3.31Å; V144-K162 WeakPolarHBondContact CB-O 3.47Å; V144-K162 HydrophobicContact CG1-CB 4.19Å; V144-I194 WeakPolarHBondContact O-CA 3.46Å; V144-L195 PolarHBondContact O-N 3.06Å; V144-L200 HydrophobicContact CG2-CD1 4.13Å; V144-L200 HydrophobicContact CG2-CD2 4.04Å |
| 145 | S | 97 | Very high | 95.2 | Very high | 1 Ų | 1 | 63.5 Ų | 63.5 | 1% | 0.007 | 30% | 0.303 | C | S | . | . | trans | -96.6 | 153.5 | 155.4 | 66.6 | 0 | 0 | 0 | 0 | 107.7 | K162 Q163 P164 D192 I193 | S145-K162 PolarHBondContact N-O 3.18Å; S145-K162 VanDerWaalsContact N-O 3.12Å; S145-Q163 PolarHBondContact O-NE2 2.87Å; S145-Q163 PolarHBondContact O-OE1 2.62Å; S145-Q163 PolarHBondContact OG-NE2 3.45Å; S145-P164 WeakPolarHBondContact O-CD 3.37Å; S145-D192 VanDerWaalsContact CB-OD1 3.31Å; S145-D192 WeakPolarHBondContact CB-OD1 3.11Å; S145-D192 PolarHBondContact OG-OD1 3Å; S145-I193 WeakPolarHBondContact CA-O 3.42Å; S145-I193 WeakPolarHBondContact CB-O 3.49Å | ||
| 146 | W | 96.9 | Very high | 95.5 | Very high | 13 Ų | 13 | 62.9 Ų | 62.9 | 5% | 0.049 | 30% | 0.304 | C | S | . | . | trans | -127.6 | 92.8 | 175.3 | -167.2 | 8 | 0 | 0 | 0 | 107.4 | L21 N23 P164 I167 D189 L195 L200 K203 F204 V207 | L21-W146 HydrophobicContact CD2-CH2 4.48Å; L21-W146 HydrophobicContact CD2-CZ2 4.17Å; N23-W146 WeakPolarHBondContact ND2-CZ2 3.47Å; N23-W146 PolarHBondContact ND2-NE1 3.33Å; W146-P164 HydrophobicContact CB-CG 3.76Å; W146-P164 VanDerWaalsContact CD1-CG 3.4Å; W146-P164 HydrophobicContact CD2-CG 3.65Å; W146-P164 HydrophobicContact CE3-CG 4.35Å; W146-P164 HydrophobicContact CG-CG 3.33Å; W146-I167 HydrophobicContact CD2-CD1 3.83Å; W146-I167 HydrophobicContact CE3-CD1 3.51Å; W146-I167 HydrophobicContact CH2-CD1 3.04Å; W146-I167 HydrophobicContact CZ2-CD1 3.34Å; W146-I167 HydrophobicContact CZ3-CD1 3.12Å; W146-D189 WeakPolarHBondContact O-CA 3.35Å; W146-D189 WeakPolarHBondContact O-CB 3.34Å; W146-L195 HydrophobicContact CB-CD1 3.7Å; W146-L200 HydrophobicContact CB-CD2 4.41Å; W146-L200 HydrophobicContact CE3-CD2 4.03Å; W146-K203 HydrophobicContact CB-CD 3.92Å; W146-K203 HydrophobicContact CD2-CD 3.42Å; W146-K203 VanDerWaalsContact CD2-CD 3.42Å; W146-K203 HydrophobicContact CD2-CG 3.94Å; W146-K203 HydrophobicContact CE3-CB 3.77Å; W146-K203 HydrophobicContact CE3-CD 3.44Å; W146-K203 VanDerWaalsContact CE3-CD 3.44Å; W146-K203 HydrophobicContact CE3-CG 3.55Å; W146-K203 HydrophobicContact CG-CD 3.65Å; W146-K203 HydrophobicContact CH2-CG 4.1Å; W146-K203 HydrophobicContact CZ2-CG 4.49Å; W146-K203 HydrophobicContact CZ3-CB 3.74Å; W146-K203 HydrophobicContact CZ3-CD 4.06Å; W146-K203 HydrophobicContact CZ3-CG 3.63Å; W146-K203 PolarHBondContact O-NZ 3.18Å; W146-F204 HydrophobicContact CH2-CB 4.32Å; W146-F204 HydrophobicContact CZ3-CB 4.16Å; W146-V207 HydrophobicContact CH2-CB 4.41Å; W146-V207 HydrophobicContact CH2-CG2 4.1Å; W146-V207 HydrophobicContact CZ2-CB 4.5Å; W146-V207 HydrophobicContact CZ2-CG2 4Å | ||
| 147 | L | 96.8 | Very high | 95.6 | Very high | 5 Ų | 5 | 66.8 Ų | 66.8 | 3% | 0.026 | 31% | 0.306 | C | S | . | . | trans | -82.8 | 157.9 | 178.1 | -65.9 | 178.1 | 0 | 0 | 0 | 111 | E151 L152 T159 D189 L191 D192 K203 | L147-E151 HydrophobicContact CB-CB 4.12Å; L147-E151 HydrophobicContact CD2-CB 4.4Å; L147-E151 HydrophobicContact CD2-CG 4.42Å; L147-L152 HydrophobicContact CB-CD2 3.98Å; L147-L152 HydrophobicContact CB-CG 3.9Å; L147-L152 HydrophobicContact CD1-CD2 3.96Å; L147-T159 HydrophobicContact CD1-CG2 3.74Å; L147-D189 WeakPolarHBondContact CA-O 3.28Å; L147-L191 WeakPolarHBondContact CD2-O 3.46Å; L147-D192 HydrophobicContact CD1-CB 4.26Å; L147-K203 PolarHBondContact O-NZ 3.21Å | ||
| 148 | T | 94.7 | Very high | 95.7 | Very high | 43 Ų | 43 | 71.3 Ų | 71.3 | 26% | 0.264 | 33% | 0.334 | S | S | . | . | trans | -72.5 | 158.7 | 167.6 | 65.9 | 0 | 0 | 0 | 0 | 110.9 | M150 E151 L152 D189 | T148-M150 PolarHBondContact O-N 3.27Å; T148-E151 PolarHBondContact O-N 2.78Å; T148-E151 PolarHBondContact OG1-N 2.8Å; T148-L152 WeakPolarHBondContact O-CG 3.35Å; T148-L152 PolarHBondContact O-N 3.28Å; T148-D189 HydrophobicContact CG2-CB 3.79Å; T148-D189 WeakPolarHBondContact CG2-OD2 3.46Å; T148-D189 PolarHBondContact N-O 2.84Å | ||
| 149 | Y | 93.3 | Very high | 95.8 | Very high | 153 Ų | 153 | 71.3 Ų | 71.3 | 60% | 0.6 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -54.1 | -40.5 | 173.3 | 177.7 | -101.3 | 0 | 0 | 0 | 112.4 | E151 L152 R153 Y157 | Y149-E151 PolarHBondContact O-N 3.44Å; Y149-L152 PolarHBondContact O-N 3.14Å; Y149-R153 WeakPolarHBondContact O-CB 3.24Å; Y149-R153 PolarHBondContact O-N 2.93Å; Y149-Y157 HydrophobicContact CE2-CE1 4.47Å; Y149-Y157 WeakPolarHBondContact CE2-OH 3.34Å |
| 150 | M | 95.3 | Very high | 96 | Very high | 129 Ų | 129 | 78.8 Ų | 78.8 | 64% | 0.635 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -61.4 | -43.5 | 176.1 | -74.9 | 173.4 | 35.1 | 0 | 0 | 112.3 | T148 R153 K154 | T148-M150 PolarHBondContact O-N 3.27Å; M150-R153 PolarHBondContact O-N 3.1Å; M150-K154 WeakPolarHBondContact O-CG 3.19Å; M150-K154 PolarHBondContact O-N 3.04Å; M150-K154 VanDerWaalsContact O-N 3.09Å |
| 151 | E | 97 | Very high | 96.1 | Very high | 28 Ų | 28 | 74 Ų | 74 | 13% | 0.131 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -68.7 | -38.4 | 178.1 | -113.1 | -11.4 | -92.5 | 0 | 0 | 112.5 | L147 T148 Y149 R153 K154 R155 T190 | L147-E151 HydrophobicContact CB-CB 4.12Å; L147-E151 HydrophobicContact CD2-CB 4.4Å; L147-E151 HydrophobicContact CD2-CG 4.42Å; T148-E151 PolarHBondContact O-N 2.78Å; T148-E151 PolarHBondContact OG1-N 2.8Å; Y149-E151 PolarHBondContact O-N 3.44Å; E151-R153 VanDerWaalsContact C-N 3.34Å; E151-K154 PolarHBondContact O-N 3.05Å; E151-K154 WeakPolarHBondContact OE2-CD 3.31Å; E151-K154 WeakPolarHBondContact OE2-CE 3.26Å; E151-K154 IonicContact OE2-NZ 2.62Å; E151-K154 PolarHBondContact OE2-NZ 3.28Å; E151-R155 VanDerWaalsContact C-NH1 3.35Å; E151-R155 WeakPolarHBondContact O-CG 3.32Å; E151-R155 PolarHBondContact O-N 2.98Å; E151-R155 PolarHBondContact O-NH1 3.12Å; E151-R155 IonicContact OE1-CZ 3.69Å; E151-R155 IonicContact OE1-NH1 3.82Å; E151-R155 PolarHBondContact OE1-NH1 2.93Å; E151-R155 IonicContact OE1-NH2 3.21Å; E151-R155 PolarHBondContact OE1-NH2 3.31Å; E151-T190 HydrophobicContact CG-CG2 4.46Å |
| 152 | L | 96.8 | Very high | 96.2 | Very high | 27 Ų | 27 | 75.4 Ų | 75.4 | 14% | 0.141 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -61.6 | -45.3 | 174.9 | -71.5 | 170.2 | 0 | 0 | 0 | 110.8 | L147 T148 Y149 K154 R155 N156 Y157 T159 Q163 | L147-L152 HydrophobicContact CB-CD2 3.98Å; L147-L152 HydrophobicContact CB-CG 3.9Å; L147-L152 HydrophobicContact CD1-CD2 3.96Å; T148-L152 WeakPolarHBondContact O-CG 3.35Å; T148-L152 PolarHBondContact O-N 3.28Å; Y149-L152 PolarHBondContact O-N 3.14Å; L152-K154 PolarHBondContact O-N 3.27Å; L152-R155 CarbonylContact O-C 3.43Å; L152-R155 PolarHBondContact O-N 3.44Å; L152-R155 VanDerWaalsContact O-N 3.08Å; L152-N156 PolarHBondContact O-N 2.76Å; L152-Y157 HydrophobicContact CB-CD1 3.93Å; L152-Y157 HydrophobicContact CB-CE1 4.08Å; L152-Y157 PolarHBondContact O-N 3.11Å; L152-T159 HydrophobicContact CD2-CG2 3.75Å; L152-Q163 HydrophobicContact CD2-CG 3.85Å |
| 153 | R | 96.6 | Very high | 96.3 | Very high | 173 Ų | 173 | 77 Ų | 77 | 65% | 0.653 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -61.2 | -42 | 177.9 | -175.2 | 178.6 | 167.9 | -167.2 | -2.5 | 112.2 | Y149 M150 E151 R155 N156 | Y149-R153 WeakPolarHBondContact O-CB 3.24Å; Y149-R153 PolarHBondContact O-N 2.93Å; M150-R153 PolarHBondContact O-N 3.1Å; E151-R153 VanDerWaalsContact C-N 3.34Å; R153-R155 PolarHBondContact O-N 3.49Å; R153-N156 PolarHBondContact O-N 2.98Å; R153-N156 VanDerWaalsContact O-N 3.12Å |
| 154 | K | 97.1 | Very high | 96.3 | Very high | 148 Ų | 148 | 75 Ų | 75 | 64% | 0.643 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -60.8 | -29.7 | 175.3 | -72.7 | 179.3 | -163.1 | 163.7 | 0 | 113 | M150 E151 L152 | M150-K154 WeakPolarHBondContact O-CG 3.19Å; M150-K154 PolarHBondContact O-N 3.04Å; M150-K154 VanDerWaalsContact O-N 3.09Å; E151-K154 PolarHBondContact O-N 3.05Å; E151-K154 WeakPolarHBondContact OE2-CD 3.31Å; E151-K154 WeakPolarHBondContact OE2-CE 3.26Å; E151-K154 IonicContact OE2-NZ 2.62Å; E151-K154 PolarHBondContact OE2-NZ 3.28Å; L152-K154 PolarHBondContact O-N 3.27Å |
| 155 | R | 96.8 | Very high | 96.3 | Very high | 65 Ų | 65 | 76.9 Ų | 76.9 | 25% | 0.245 | 34% | 0.344 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | 5.4 | 177.9 | -68.8 | 179.3 | -177.3 | 70.4 | 5.3 | 114 | E151 L152 R153 Y157 T158 T190 | E151-R155 VanDerWaalsContact C-NH1 3.35Å; E151-R155 WeakPolarHBondContact O-CG 3.32Å; E151-R155 PolarHBondContact O-N 2.98Å; E151-R155 PolarHBondContact O-NH1 3.12Å; E151-R155 IonicContact OE1-CZ 3.69Å; E151-R155 IonicContact OE1-NH1 3.82Å; E151-R155 PolarHBondContact OE1-NH1 2.93Å; E151-R155 IonicContact OE1-NH2 3.21Å; E151-R155 PolarHBondContact OE1-NH2 3.31Å; L152-R155 CarbonylContact O-C 3.43Å; L152-R155 PolarHBondContact O-N 3.44Å; L152-R155 VanDerWaalsContact O-N 3.08Å; R153-R155 PolarHBondContact O-N 3.49Å; R155-Y157 PolarHBondContact O-N 3.39Å; R155-T158 WeakPolarHBondContact O-CB 3.3Å; R155-T158 PolarHBondContact O-N 2.83Å; R155-T190 PolarHBondContact NH2-O 2.59Å |
| 156 | N | 96.7 | Very high | 96.4 | Very high | 132 Ų | 132 | 76.9 Ų | 76.9 | 71% | 0.706 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.3 | 41.5 | -169.2 | -164.3 | 37.4 | 0 | 0 | 0 | 111.9 | L152 R153 T158 | L152-N156 PolarHBondContact O-N 2.76Å; R153-N156 PolarHBondContact O-N 2.98Å; R153-N156 VanDerWaalsContact O-N 3.12Å; N156-T158 PolarHBondContact O-N 3.31Å; N156-T158 PolarHBondContact O-OG1 2.99Å |
| 157 | Y | 94.2 | Very high | 96.4 | Very high | 123 Ų | 123 | 76.2 Ų | 76.2 | 48% | 0.482 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.1 | 12.5 | -179.3 | -55.9 | -90.8 | 0 | 0 | 0 | 115.8 | Y149 L152 R155 | Y149-Y157 HydrophobicContact CE2-CE1 4.47Å; Y149-Y157 WeakPolarHBondContact CE2-OH 3.34Å; L152-Y157 HydrophobicContact CB-CD1 3.93Å; L152-Y157 HydrophobicContact CB-CE1 4.08Å; L152-Y157 PolarHBondContact O-N 3.11Å; R155-Y157 PolarHBondContact O-N 3.39Å |
| 158 | T | 96.5 | Very high | 96.4 | Very high | 104 Ų | 104 | 76.2 Ų | 76.2 | 64% | 0.638 | 34% | 0.341 | S | S | * | . | trans | -88.5 | 119 | 177.1 | -56.7 | 0 | 0 | 0 | 0 | 110.2 | R155 N156 | R155-T158 WeakPolarHBondContact O-CB 3.3Å; R155-T158 PolarHBondContact O-N 2.83Å; N156-T158 PolarHBondContact O-N 3.31Å; N156-T158 PolarHBondContact O-OG1 2.99Å | ||
| 159 | T | 96.5 | Very high | 96.4 | Very high | 42 Ų | 42 | 74.3 Ų | 74.3 | 26% | 0.258 | 33% | 0.33 | S | S | . | . | trans | -131.9 | 148.8 | -179.6 | 59.8 | 0 | 0 | 0 | 0 | 111.5 | L147 L152 Y161 D192 | L147-T159 HydrophobicContact CD1-CG2 3.74Å; L152-T159 HydrophobicContact CD2-CG2 3.75Å; T159-Y161 WeakPolarHBondContact CB-O 3.31Å; T159-Y161 PolarHBondContact OG1-O 3.3Å; T159-D192 WeakPolarHBondContact CA-OD2 3.48Å; T159-D192 WeakPolarHBondContact CB-OD2 3.07Å | ||
| 160 | R | 95.4 | Very high | 96.2 | Very high | 200 Ų | 200 | 68.7 Ų | 68.7 | 76% | 0.755 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -68.3 | -40 | 171.7 | -180 | 178.2 | 179 | -178.5 | 0.4 | 111.5 | D192 | R160-D192 PolarHBondContact N-OD2 3.17Š|
| 161 | Y | 96.5 | Very high | 95.7 | Very high | 50 Ų | 50 | 64.2 Ų | 64.2 | 20% | 0.196 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -111.1 | 153.8 | 179.3 | -56.5 | -71.3 | 0 | 0 | 0 | 110.9 | T159 Q163 D192 I194 | T159-Y161 WeakPolarHBondContact CB-O 3.31Å; T159-Y161 PolarHBondContact OG1-O 3.3Å; Y161-Q163 PolarHBondContact O-NE2 3.16Å; Y161-D192 WeakPolarHBondContact CD2-O 3.35Å; Y161-D192 WeakPolarHBondContact CE2-O 3.44Å; Y161-D192 PolarHBondContact N-OD1 2.85Å; Y161-I194 HydrophobicContact CD1-CD1 4.04Å; Y161-I194 HydrophobicContact CD1-CG1 3.63Å; Y161-I194 HydrophobicContact CD2-CG1 4.15Å; Y161-I194 HydrophobicContact CE1-CD1 3.56Å; Y161-I194 HydrophobicContact CE1-CG1 3.51Å; Y161-I194 HydrophobicContact CE2-CG1 4.03Å; Y161-I194 HydrophobicContact CG-CG1 3.95Å |
| 162 | K | 96.8 | Very high | 95.2 | Very high | 96 Ų | 96 | 70.2 Ų | 70.2 | 42% | 0.417 | 32% | 0.319 | S | S | . | . | B | Isolated β-bridge | trans | -62 | 145.5 | 175.6 | -68.7 | 172.3 | 162.4 | -159.3 | 0 | 110 | E128 V144 S145 | E128-K162 HydrophobicContact CB-CB 4.44Å; E128-K162 IonicContact OE1-NZ 2.74Å; E128-K162 PolarHBondContact OE1-NZ 3.21Å; E128-K162 WeakPolarHBondContact OE2-CD 3.33Å; E128-K162 WeakPolarHBondContact OE2-CE 3.24Å; E128-K162 IonicContact OE2-NZ 3.91Å; E128-K162 PolarHBondContact OE2-NZ 3.09Å; V144-K162 VanDerWaalsContact CA-O 3.24Å; V144-K162 WeakPolarHBondContact CA-O 3.34Å; V144-K162 VanDerWaalsContact CB-O 3.31Å; V144-K162 WeakPolarHBondContact CB-O 3.47Å; V144-K162 HydrophobicContact CG1-CB 4.19Å; S145-K162 PolarHBondContact N-O 3.18Å; S145-K162 VanDerWaalsContact N-O 3.12Å |
| 163 | Q | 97.5 | Very high | 94.7 | Very high | 36 Ų | 36 | 72.8 Ų | 72.8 | 17% | 0.168 | 33% | 0.333 | C | S | . | . | P | Polyproline II helix | trans | -91.1 | 140.7 | 170.8 | -58.9 | -53.5 | -68 | 0 | 0 | 109.7 | E128 S145 L152 Y161 K165 | E128-Q163 WeakPolarHBondContact CB-O 3.35Å; S145-Q163 PolarHBondContact O-NE2 2.87Å; S145-Q163 PolarHBondContact O-OE1 2.62Å; S145-Q163 PolarHBondContact OG-NE2 3.45Å; L152-Q163 HydrophobicContact CD2-CG 3.85Å; Y161-Q163 PolarHBondContact O-NE2 3.16Å; Q163-K165 PolarHBondContact O-N 3.41Å |
| 164 | P | 97.3 | Very high | 94.3 | Very high | 4 Ų | 4 | 67.4 Ų | 67.4 | 3% | 0.026 | 31% | 0.314 | C | S | . | . | P | Polyproline II helix | trans | -66.3 | 122 | 177 | 29 | -35.8 | 0 | 0 | 0 | 109.9 | N23 I131 S145 W146 I167 | N23-P164 VanDerWaalsContact CB-O 3.24Å; N23-P164 WeakPolarHBondContact CB-O 3.4Å; N23-P164 PolarHBondContact ND2-O 3.24Å; I131-P164 HydrophobicContact CG1-CB 3.86Å; S145-P164 WeakPolarHBondContact O-CD 3.37Å; W146-P164 HydrophobicContact CB-CG 3.76Å; W146-P164 VanDerWaalsContact CD1-CG 3.4Å; W146-P164 HydrophobicContact CD2-CG 3.65Å; W146-P164 HydrophobicContact CE3-CG 4.35Å; W146-P164 HydrophobicContact CG-CG 3.33Å; P164-I167 HydrophobicContact CB-CD1 3.91Å; P164-I167 HydrophobicContact CB-CG1 3.74Å; P164-I167 HydrophobicContact CG-CD1 4.03Å; P164-I167 HydrophobicContact CG-CG1 4.4Å |
| 165 | K | 97.7 | Very high | 93.8 | Very high | 43 Ų | 43 | 61 Ų | 61 | 19% | 0.187 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -89.6 | -37 | 177 | -65.7 | -171.7 | 174.7 | -161.2 | 0 | 111.8 | N23 T24 E28 E128 W129 Q163 | N23-K165 PolarHBondContact N-O 3.38Å; T24-K165 HydrophobicContact CG2-CB 3.75Å; T24-K165 HydrophobicContact CG2-CD 3.98Å; T24-K165 HydrophobicContact CG2-CG 3.88Å; E28-K165 IonicContact OE2-NZ 3.36Å; E28-K165 PolarHBondContact OE2-NZ 2.94Å; E128-K165 HydrophobicContact CB-CG 4.48Å; E128-K165 HydrophobicContact CG-CD 4.01Å; E128-K165 HydrophobicContact CG-CG 4.04Å; E128-K165 WeakPolarHBondContact O-CA 3.47Å; E128-K165 WeakPolarHBondContact O-CB 3.46Å; E128-K165 PolarHBondContact O-N 3.35Å; W129-K165 HydrophobicContact CD2-CB 3.83Å; W129-K165 HydrophobicContact CD2-CD 3.99Å; W129-K165 VanDerWaalsContact CE2-CD 3.41Å; W129-K165 HydrophobicContact CE3-CB 3.71Å; W129-K165 HydrophobicContact CG-CB 4.49Å; W129-K165 HydrophobicContact CH2-CB 4.16Å; W129-K165 HydrophobicContact CH2-CD 4.05Å; W129-K165 HydrophobicContact CZ2-CB 4.29Å; W129-K165 HydrophobicContact CZ2-CD 3.46Å; W129-K165 VanDerWaalsContact CZ2-CD 3.46Å; W129-K165 HydrophobicContact CZ2-CG 4.49Å; W129-K165 HydrophobicContact CZ3-CB 3.87Å; Q163-K165 PolarHBondContact O-N 3.41Å |
| 166 | L | 97.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 131.1 | 172.3 | -178.7 | 160.4 | 0 | 0 | 0 | 109.4 | L16 I20 L21 L22 V72 E128 W129 I131 H168 | L16-L166 HydrophobicContact CD2-CD1 3.9Å; I20-L166 HydrophobicContact CB-CD1 4.47Å; I20-L166 HydrophobicContact CB-CD2 3.97Å; I20-L166 HydrophobicContact CB-CG 4.2Å; I20-L166 HydrophobicContact CD1-CD1 4.21Å; I20-L166 HydrophobicContact CD1-CG 4.43Å; I20-L166 HydrophobicContact CG2-CD2 3.83Å; L21-L166 WeakPolarHBondContact O-CA 3.07Å; L22-L166 HydrophobicContact CD1-CB 4.37Å; L22-L166 HydrophobicContact CD1-CD1 4.42Å; V72-L166 HydrophobicContact CG2-CD1 3.72Å; V72-L166 HydrophobicContact CG2-CD2 3.62Å; V72-L166 HydrophobicContact CG2-CG 4.3Å; E128-L166 PolarHBondContact O-N 3.12Å; E128-L166 VanDerWaalsContact O-N 3.1Å; W129-L166 HydrophobicContact CE3-CB 4.17Å; W129-L166 WeakPolarHBondContact O-CB 3.42Å; I131-L166 PolarHBondContact N-O 3.01Å; L166-H168 HydrophobicContact CD2-CB 4.36Å |
| 167 | I | 96.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 120.8 | 179.1 | -56 | 172.4 | 0 | 0 | 0 | 108.6 | I20 L21 N23 I131 L133 W146 P164 F204 | I20-I167 CarbonylContact C-O 3.56Å; I20-I167 VanDerWaalsContact CA-O 3.26Å; I20-I167 WeakPolarHBondContact CA-O 3.49Å; L21-I167 PolarHBondContact N-O 3.38Å; L21-I167 PolarHBondContact O-N 3.19Å; N23-I167 WeakPolarHBondContact ND2-CD1 3.47Å; I131-I167 HydrophobicContact CB-CG1 4.23Å; I131-I167 HydrophobicContact CG2-CG2 4.49Å; I131-I167 CarbonylContact O-C 3.47Å; I131-I167 WeakPolarHBondContact O-CA 3.47Å; L133-I167 HydrophobicContact CD1-CG2 3.63Å; L133-I167 HydrophobicContact CD2-CG2 4.19Å; L133-I167 HydrophobicContact CG-CG2 3.84Å; W146-I167 HydrophobicContact CD2-CD1 3.83Å; W146-I167 HydrophobicContact CE3-CD1 3.51Å; W146-I167 HydrophobicContact CH2-CD1 3.04Å; W146-I167 HydrophobicContact CZ2-CD1 3.34Å; W146-I167 HydrophobicContact CZ3-CD1 3.12Å; P164-I167 HydrophobicContact CB-CD1 3.91Å; P164-I167 HydrophobicContact CB-CG1 3.74Å; P164-I167 HydrophobicContact CG-CD1 4.03Å; P164-I167 HydrophobicContact CG-CG1 4.4Å; I167-F204 HydrophobicContact CB-CD2 4.02Å; I167-F204 HydrophobicContact CB-CE2 4.25Å; I167-F204 HydrophobicContact CG2-CD2 3.55Å; I167-F204 HydrophobicContact CG2-CE2 4.02Å |
| 168 | H | 97 | Very high | 92.4 | Very high | 4 Ų | 4 | 57.5 Ų | 57.5 | 2% | 0.019 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 110.7 | 179.5 | 177.3 | -169.7 | 0 | 0 | 0 | 108.7 | D17 D19 I20 N69 N130 I131 L133 L166 N170 | D17-H168 IonicContact OD2-CE1 2.66Å; D17-H168 PolarHBondContact OD2-CE1 3.21Å; D17-H168 IonicContact OD2-NE2 3.71Å; D17-H168 PolarHBondContact OD2-NE2 3.26Å; D17-H168 VanDerWaalsContact OD2-NE2 3.14Å; D19-H168 IonicContact OD1-CD2 3.14Å; D19-H168 PolarHBondContact OD1-CD2 3.21Å; D19-H168 VanDerWaalsContact OD1-CD2 3.27Å; D19-H168 IonicContact OD1-NE2 3.06Å; D19-H168 PolarHBondContact OD1-NE2 3.23Å; D19-H168 IonicContact OD2-CD2 3.27Å; D19-H168 IonicContact OD2-NE2 3.28Å; I20-H168 HydrophobicContact CG2-CB 4.31Å; N69-H168 PolarHBondContact OD1-CE1 3.06Å; N69-H168 PolarHBondContact OD1-ND1 2.81Å; N130-H168 WeakPolarHBondContact OD1-CB 3.35Å; N130-H168 PolarHBondContact OD1-ND1 3.49Å; I131-H168 PolarHBondContact O-N 2.73Å; L133-H168 PolarHBondContact N-O 2.93Å; L133-H168 VanDerWaalsContact N-O 3.11Å; L166-H168 HydrophobicContact CD2-CB 4.36Å; H168-N170 WeakPolarHBondContact NE2-CB 3.39Å; H168-N170 PolarHBondContact O-N 3.34Å; H168-N170 PolarHBondContact O-OD1 3.01Å |
| 169 | I | 94.2 | Very high | 91.1 | Very high | 4 Ų | 4 | 62.1 Ų | 62.1 | 2% | 0.021 | 29% | 0.293 | C | S | . | . | trans | -82.8 | 55.4 | 178.1 | -170.6 | 150.2 | 0 | 0 | 0 | 111.7 | D19 L133 H171 K174 P175 Y201 F204 | D19-I169 HydrophobicContact CB-CG2 3.86Å; D19-I169 WeakPolarHBondContact O-CG2 3Å; D19-I169 PolarHBondContact O-N 2.76Å; L133-I169 HydrophobicContact CD1-CB 4.29Å; L133-I169 HydrophobicContact CD1-CD1 4.27Å; L133-I169 HydrophobicContact CD1-CG1 4.28Å; I169-H171 HydrophobicContact CG1-CB 3.91Å; I169-H171 PolarHBondContact O-N 3.11Å; I169-K174 HydrophobicContact CG1-CD 4.38Å; I169-K174 HydrophobicContact CG2-CD 4.16Å; I169-K174 WeakPolarHBondContact O-CD 3.34Å; I169-K174 PolarHBondContact O-NZ 2.72Å; I169-P175 HydrophobicContact CD1-CG 3.92Å; I169-Y201 HydrophobicContact CD1-CD2 4.05Å; I169-Y201 HydrophobicContact CD1-CE2 3.73Å; I169-Y201 HydrophobicContact CG1-CE2 4.44Å; I169-F204 HydrophobicContact CB-CD1 4.39Å; I169-F204 HydrophobicContact CB-CE1 3.88Å; I169-F204 HydrophobicContact CB-CE2 4.09Å; I169-F204 HydrophobicContact CB-CZ 3.7Å; I169-F204 HydrophobicContact CD1-CD1 3.35Å; I169-F204 HydrophobicContact CD1-CE1 3.39Å; I169-F204 HydrophobicContact CD1-CG 4.13Å; I169-F204 HydrophobicContact CD1-CZ 4.13Å; I169-F204 HydrophobicContact CG1-CD1 4.45Å; I169-F204 HydrophobicContact CG1-CE1 4.22Å; I169-F204 HydrophobicContact CG2-CE1 3.77Å; I169-F204 HydrophobicContact CG2-CE2 4.26Å; I169-F204 HydrophobicContact CG2-CZ 3.49Å; I169-F204 VanDerWaalsContact CG2-CZ 3.49Å | ||
| 170 | N | 90.8 | Very high | 89.7 | Confident | 34 Ų | 34 | 62.9 Ų | 62.9 | 18% | 0.182 | 31% | 0.309 | C | S | . | . | trans | -65.1 | 20.6 | 169.4 | 59.9 | -10 | 0 | 0 | 0 | 114.5 | L133 S134 H168 | L133-N170 PolarHBondContact N-OD1 2.76Å; S134-N170 WeakPolarHBondContact CB-O 3.47Å; S134-N170 WeakPolarHBondContact CB-OD1 3.2Å; S134-N170 PolarHBondContact N-OD1 2.86Å; H168-N170 WeakPolarHBondContact NE2-CB 3.39Å; H168-N170 PolarHBondContact O-N 3.34Å; H168-N170 PolarHBondContact O-OD1 3.01Å | ||
| 171 | H | 83.7 | Confident | 88.3 | Confident | 36 Ų | 36 | 61 Ų | 61 | 17% | 0.167 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -71.8 | 144.3 | 169.5 | -166.3 | -93.4 | 0 | 0 | 0 | 110.8 | L133 I169 I173 K174 Y201 | L133-H171 PolarHBondContact O-CD2 2.61Å; L133-H171 VanDerWaalsContact O-CD2 3.26Å; I169-H171 HydrophobicContact CG1-CB 3.91Å; I169-H171 PolarHBondContact O-N 3.11Å; H171-I173 PolarHBondContact ND1-N 2.6Å; H171-I173 PolarHBondContact ND1-O 3.24Å; H171-I173 PolarHBondContact O-N 2.88Å; H171-K174 WeakPolarHBondContact O-CD 3.39Å; H171-K174 VanDerWaalsContact O-CE 3.23Å; H171-K174 WeakPolarHBondContact O-CE 3.45Å; H171-K174 PolarHBondContact O-NZ 2.96Å; H171-Y201 HydrophobicContact CB-CD2 4.28Å; H171-Y201 HydrophobicContact CB-CE2 3.99Å; H171-Y201 AromaticContact CE1-CE2 3.98Å; H171-Y201 AromaticContact CG-CD2 3.99Å; H171-Y201 AromaticContact CG-CE2 3.62Å; H171-Y201 AromaticContact ND1-CE2 3.52Å |
| 172 | L | 86.4 | Confident | 87.1 | Confident | 153 Ų | 153 | 61.4 Ų | 61.4 | 80% | 0.801 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -62.2 | -32.6 | 178.9 | -70.7 | 172.5 | 0 | 0 | 0 | 112.8 | ||
| 173 | I | 86.9 | Confident | 86 | Confident | 82 Ų | 82 | 62 Ų | 62 | 42% | 0.421 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -103 | 104.9 | 176.8 | -52.2 | 173.9 | 0 | 0 | 0 | 108.5 | H171 D177 L178 Y201 | H171-I173 PolarHBondContact ND1-N 2.6Å; H171-I173 PolarHBondContact ND1-O 3.24Å; H171-I173 PolarHBondContact O-N 2.88Å; I173-D177 HydrophobicContact CG2-CB 4.09Å; I173-L178 HydrophobicContact CG2-CD2 3.59Å; I173-L178 HydrophobicContact CG2-CG 4.22Å; I173-Y201 WeakPolarHBondContact O-CE2 3.4Å; I173-Y201 PolarHBondContact O-OH 3.04Å |
| 174 | K | 88.9 | Confident | 85 | Confident | 60 Ų | 60 | 61.7 Ų | 61.7 | 26% | 0.261 | 33% | 0.328 | S | S | . | . | trans | -79 | 161.5 | 174.4 | -50.2 | -64 | 178.5 | 178.8 | 0 | 109.5 | D19 I169 H171 N176 D177 | D19-K174 IonicContact OD2-NZ 3.18Å; D19-K174 PolarHBondContact OD2-NZ 3.07Å; I169-K174 HydrophobicContact CG1-CD 4.38Å; I169-K174 HydrophobicContact CG2-CD 4.16Å; I169-K174 WeakPolarHBondContact O-CD 3.34Å; I169-K174 PolarHBondContact O-NZ 2.72Å; H171-K174 WeakPolarHBondContact O-CD 3.39Å; H171-K174 VanDerWaalsContact O-CE 3.23Å; H171-K174 WeakPolarHBondContact O-CE 3.45Å; H171-K174 PolarHBondContact O-NZ 2.96Å; K174-N176 PolarHBondContact O-N 2.77Å; K174-N176 VanDerWaalsContact O-N 3.14Å; K174-D177 WeakPolarHBondContact CA-OD2 3.23Å; K174-D177 VanDerWaalsContact CB-OD2 3.29Å; K174-D177 WeakPolarHBondContact CB-OD2 3.35Å; K174-D177 PolarHBondContact N-OD2 3.12Å; K174-D177 WeakPolarHBondContact O-CB 3.41Å; K174-D177 PolarHBondContact O-N 2.81Å | ||
| 175 | P | 86.4 | Confident | 84.1 | Confident | 12 Ų | 12 | 67 Ų | 67 | 8% | 0.078 | 35% | 0.354 | C | S | . | . | G | 310 helix | trans | -60.8 | -28.2 | -179.4 | -20.8 | 31.4 | 0 | 0 | 0 | 113.4 | I169 D177 L178 F204 V205 Y208 | I169-P175 HydrophobicContact CD1-CG 3.92Å; P175-D177 VanDerWaalsContact C-N 3.27Å; P175-D177 PolarHBondContact O-N 3.23Å; P175-L178 WeakPolarHBondContact O-CB 3.34Å; P175-L178 PolarHBondContact O-N 2.84Å; P175-F204 HydrophobicContact CG-CD1 3.93Å; P175-F204 HydrophobicContact CG-CE1 3.6Å; P175-V205 HydrophobicContact CB-CG2 4.43Å; P175-V205 HydrophobicContact CG-CG2 4.3Å; P175-Y208 HydrophobicContact CB-CD1 3.43Å; P175-Y208 VanDerWaalsContact CB-CD1 3.43Å; P175-Y208 HydrophobicContact CB-CE1 3.66Å; P175-Y208 HydrophobicContact CB-CG 4.05Å; P175-Y208 HydrophobicContact CG-CD1 3.89Å; P175-Y208 HydrophobicContact CG-CD2 4.46Å; P175-Y208 HydrophobicContact CG-CE1 4.28Å; P175-Y208 HydrophobicContact CG-CG 3.99Å |
| 176 | N | 86 | Confident | 83.5 | Confident | 121 Ų | 121 | 72.4 Ų | 72.4 | 65% | 0.647 | 39% | 0.385 | S | S | * | . | G | 310 helix | trans | -69.8 | -22.7 | 175.9 | -69.3 | -21.2 | 0 | 0 | 0 | 113 | K174 L178 Y208 | K174-N176 PolarHBondContact O-N 2.77Å; K174-N176 VanDerWaalsContact O-N 3.14Å; N176-L178 VanDerWaalsContact C-N 3.33Å; N176-Y208 PolarHBondContact ND2-OH 3.22Å; N176-Y208 WeakPolarHBondContact OD1-CE1 3.41Å; N176-Y208 PolarHBondContact OD1-OH 3.42Å |
| 177 | D | 86.6 | Confident | 83.1 | Confident | 92 Ų | 92 | 75.1 Ų | 75.1 | 49% | 0.492 | 40% | 0.396 | S | S | . | . | G | 310 helix | trans | -82.6 | -15.2 | 178.3 | -53.9 | -45.7 | 0 | 0 | 0 | 112.1 | I173 K174 P175 K179 | I173-D177 HydrophobicContact CG2-CB 4.09Å; K174-D177 WeakPolarHBondContact CA-OD2 3.23Å; K174-D177 VanDerWaalsContact CB-OD2 3.29Å; K174-D177 WeakPolarHBondContact CB-OD2 3.35Å; K174-D177 PolarHBondContact N-OD2 3.12Å; K174-D177 WeakPolarHBondContact O-CB 3.41Å; K174-D177 PolarHBondContact O-N 2.81Å; P175-D177 VanDerWaalsContact C-N 3.27Å; P175-D177 PolarHBondContact O-N 3.23Å; D177-K179 PolarHBondContact O-N 2.77Å; D177-K179 VanDerWaalsContact O-N 3.07Å |
| 178 | L | 83.9 | Confident | 82.9 | Confident | 35 Ų | 35 | 76.9 Ų | 76.9 | 18% | 0.183 | 41% | 0.405 | C | S | . | . | trans | -71.9 | 102 | -179.2 | -62.4 | 174.2 | 0 | 0 | 0 | 110.4 | I173 P175 N176 Y182 V205 | I173-L178 HydrophobicContact CG2-CD2 3.59Å; I173-L178 HydrophobicContact CG2-CG 4.22Å; P175-L178 WeakPolarHBondContact O-CB 3.34Å; P175-L178 PolarHBondContact O-N 2.84Å; N176-L178 VanDerWaalsContact C-N 3.33Å; L178-Y182 HydrophobicContact CD1-CD1 3.69Å; L178-Y182 HydrophobicContact CD1-CD2 4.38Å; L178-Y182 HydrophobicContact CD1-CE1 3.99Å; L178-Y182 HydrophobicContact CD1-CG 3.9Å; L178-Y182 HydrophobicContact CD2-CD2 4.2Å; L178-Y182 HydrophobicContact CD2-CG 4.39Å; L178-V205 HydrophobicContact CD1-CG1 3.85Å; L178-V205 HydrophobicContact CD1-CG2 3.92Å | ||
| 179 | K | 71 | Confident | 82.7 | Confident | 201 Ų | 201 | 78.5 Ų | 78.5 | 87% | 0.874 | 41% | 0.414 | S | S | * | . | trans | -72.1 | 134.8 | 173.7 | -64.2 | -175.5 | -179.4 | 179.6 | 0 | 111.4 | D177 | D177-K179 PolarHBondContact O-N 2.77Å; D177-K179 VanDerWaalsContact O-N 3.07Å | ||
| 180 | G | 65.8 | Low | 82.8 | Confident | 58 Ų | 58 | 81.6 Ų | 81.6 | 60% | 0.598 | 43% | 0.433 | S | S | * | . | S | Bend | trans | 80.2 | -166 | 170.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | Y182 | G180-Y182 PolarHBondContact O-N 3Š|
| 181 | N | 65.6 | Low | 83 | Confident | 159 Ų | 159 | 84.2 Ų | 84.2 | 85% | 0.85 | 45% | 0.447 | S | S | * | . | trans | -72.4 | 47 | 179.7 | -72 | -12.5 | 0 | 0 | 0 | 112.5 | T183 | N181-T183 PolarHBondContact O-N 3.05Å; N181-T183 PolarHBondContact O-OG1 2.61Å | ||
| 182 | Y | 72.3 | Confident | 83.6 | Confident | 60 Ų | 60 | 84 Ų | 84 | 24% | 0.235 | 45% | 0.447 | C | S | . | . | trans | -51.2 | 113 | 169.3 | 171.9 | -88.4 | 0 | 0 | 0 | 107.4 | L178 G180 P184 N202 V205 R209 | L178-Y182 HydrophobicContact CD1-CD1 3.69Å; L178-Y182 HydrophobicContact CD1-CD2 4.38Å; L178-Y182 HydrophobicContact CD1-CE1 3.99Å; L178-Y182 HydrophobicContact CD1-CG 3.9Å; L178-Y182 HydrophobicContact CD2-CD2 4.2Å; L178-Y182 HydrophobicContact CD2-CG 4.39Å; G180-Y182 PolarHBondContact O-N 3Å; Y182-P184 HydrophobicContact CE1-CG 4.3Å; Y182-N202 PolarHBondContact OH-OD1 3.18Å; Y182-V205 HydrophobicContact CD1-CG1 3.77Å; Y182-V205 HydrophobicContact CE1-CB 4.13Å; Y182-V205 HydrophobicContact CE1-CG1 3.69Å; Y182-V205 HydrophobicContact CE1-CG2 4.26Å; Y182-R209 VanDerWaalsContact O-CZ 3.24Å; Y182-R209 PolarHBondContact O-NH1 2.63Å; Y182-R209 PolarHBondContact O-NH2 3.04Å | ||
| 183 | T | 74.1 | Confident | 84 | Confident | 107 Ų | 107 | 80 Ų | 80 | 66% | 0.656 | 43% | 0.426 | S | S | * | . | trans | -101.1 | 115.7 | -178.5 | -57.9 | 0 | 0 | 0 | 0 | 105.4 | N181 M185 | N181-T183 PolarHBondContact O-N 3.05Å; N181-T183 PolarHBondContact O-OG1 2.61Å; T183-M185 PolarHBondContact O-N 3.27Å; T183-M185 VanDerWaalsContact O-N 3.07Å | ||
| 184 | P | 75.9 | Confident | 84.4 | Confident | 31 Ų | 31 | 78.9 Ų | 78.9 | 20% | 0.201 | 42% | 0.42 | C | S | . | . | trans | -47.3 | 121.3 | 176 | -29.7 | 36.6 | 0 | 0 | 0 | 110.1 | Y182 Y187 N202 V205 | Y182-P184 HydrophobicContact CE1-CG 4.3Å; P184-Y187 HydrophobicContact CB-CE1 3.96Å; P184-N202 HydrophobicContact CB-CB 4.22Å; P184-N202 WeakPolarHBondContact CB-O 3.43Å; P184-V205 HydrophobicContact CG-CB 4.47Å; P184-V205 HydrophobicContact CG-CG1 4.19Å | ||
| 185 | M | 78.6 | Confident | 84.7 | Confident | 114 Ų | 114 | 76.1 Ų | 76.1 | 56% | 0.562 | 41% | 0.408 | S | S | * | . | trans | -71.3 | 161.8 | 176.9 | -65.8 | 177.5 | 173.6 | 0 | 0 | 110 | T183 Y187 N202 | T183-M185 PolarHBondContact O-N 3.27Å; T183-M185 VanDerWaalsContact O-N 3.07Å; M185-Y187 WeakPolarHBondContact O-CD1 3.49Å; M185-Y187 PolarHBondContact O-N 2.97Å; M185-N202 WeakPolarHBondContact CB-ND2 3.38Å; M185-N202 WeakPolarHBondContact O-CB 3.48Å; M185-N202 PolarHBondContact O-ND2 2.9Å; M185-N202 VanDerWaalsContact O-ND2 3.11Å | ||
| 186 | N | 84.1 | Confident | 85 | Confident | 157 Ų | 157 | 82.5 Ų | 82.5 | 84% | 0.84 | 43% | 0.434 | S | S | * | . | trans | -42.3 | 123.1 | -177.1 | -67.3 | -11.8 | 0 | 0 | 0 | 112.8 | ||||
| 187 | Y | 91.1 | Very high | 85.2 | Confident | 57 Ų | 57 | 78.9 Ų | 78.9 | 22% | 0.224 | 41% | 0.414 | C | S | . | . | trans | -127.8 | 152.9 | 165.3 | 51.9 | -96.9 | 0 | 0 | 0 | 107.3 | P184 M185 D189 E199 N202 K203 S206 | P184-Y187 HydrophobicContact CB-CE1 3.96Å; M185-Y187 WeakPolarHBondContact O-CD1 3.49Å; M185-Y187 PolarHBondContact O-N 2.97Å; Y187-D189 HydrophobicContact CD2-CB 4.23Å; Y187-D189 HydrophobicContact CE2-CB 4.3Å; Y187-E199 WeakPolarHBondContact CB-O 3.37Å; Y187-N202 HydrophobicContact CD1-CB 3.73Å; Y187-N202 HydrophobicContact CE1-CB 4.46Å; Y187-K203 HydrophobicContact CD1-CB 4.08Å; Y187-K203 HydrophobicContact CD2-CB 3.82Å; Y187-K203 HydrophobicContact CD2-CD 3.99Å; Y187-K203 HydrophobicContact CD2-CG 3.92Å; Y187-K203 HydrophobicContact CE1-CB 4.39Å; Y187-K203 HydrophobicContact CE2-CB 4.16Å; Y187-K203 HydrophobicContact CE2-CD 4.18Å; Y187-K203 HydrophobicContact CE2-CG 3.9Å; Y187-K203 HydrophobicContact CG-CB 3.78Å; Y187-K203 HydrophobicContact CG-CG 4.39Å; Y187-S206 WeakPolarHBondContact OH-CB 3.18Å; Y187-S206 PolarHBondContact OH-OG 3.39Å | ||
| 188 | N | 91.8 | Very high | 85.4 | Confident | 38 Ų | 38 | 80.8 Ų | 80.8 | 20% | 0.203 | 42% | 0.418 | C | S | . | . | trans | -101.6 | 108 | 178.6 | -159.5 | -36.3 | 0 | 0 | 0 | 111.4 | T190 L191 I193 L195 | N188-T190 PolarHBondContact OD1-N 3.38Å; N188-T190 PolarHBondContact OD1-OG1 3.15Å; N188-L191 WeakPolarHBondContact ND2-CD1 3.46Å; N188-L191 VanDerWaalsContact ND2-CG 3.28Å; N188-L191 WeakPolarHBondContact ND2-CG 3.4Å; N188-L191 WeakPolarHBondContact OD1-CB 3.44Å; N188-L191 PolarHBondContact OD1-N 2.91Å; N188-I193 HydrophobicContact CB-CD1 4.11Å; N188-I193 HydrophobicContact CB-CG1 4.48Å; N188-L195 HydrophobicContact CB-CD2 4.34Å; N188-L195 WeakPolarHBondContact O-CD2 3.39Å | ||
| 189 | D | 93.3 | Very high | 85.8 | Confident | 38 Ų | 38 | 81.2 Ų | 81.2 | 20% | 0.203 | 42% | 0.419 | C | S | . | . | S | Bend | trans | -109.6 | 12.7 | 175.3 | 64.3 | -0.2 | 0 | 0 | 0 | 113 | W146 L147 T148 Y187 K203 | W146-D189 WeakPolarHBondContact O-CA 3.35Å; W146-D189 WeakPolarHBondContact O-CB 3.34Å; L147-D189 WeakPolarHBondContact CA-O 3.28Å; T148-D189 HydrophobicContact CG2-CB 3.79Å; T148-D189 WeakPolarHBondContact CG2-OD2 3.46Å; T148-D189 PolarHBondContact N-O 2.84Å; Y187-D189 HydrophobicContact CD2-CB 4.23Å; Y187-D189 HydrophobicContact CE2-CB 4.3Å; D189-K203 HydrophobicContact CB-CD 4.14Å |
| 190 | T | 94.7 | Very high | 86.9 | Confident | 69 Ų | 69 | 72.1 Ų | 72.1 | 42% | 0.423 | 38% | 0.38 | S | S | . | . | S | Bend | trans | -115.3 | -22.2 | 178.9 | 65.1 | 0 | 0 | 0 | 0 | 114.1 | E151 R155 N188 | E151-T190 HydrophobicContact CG-CG2 4.46Å; R155-T190 PolarHBondContact NH2-O 2.59Å; N188-T190 PolarHBondContact OD1-N 3.38Å; N188-T190 PolarHBondContact OD1-OG1 3.15Å |
| 191 | L | 95.5 | Very high | 88.2 | Confident | 89 Ų | 89 | 70.2 Ų | 70.2 | 47% | 0.466 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -105.9 | 138.2 | 175.7 | -58.2 | -175.4 | 0 | 0 | 0 | 110.1 | L147 N188 I193 | L147-L191 WeakPolarHBondContact CD2-O 3.46Å; N188-L191 WeakPolarHBondContact ND2-CD1 3.46Å; N188-L191 VanDerWaalsContact ND2-CG 3.28Å; N188-L191 WeakPolarHBondContact ND2-CG 3.4Å; N188-L191 WeakPolarHBondContact OD1-CB 3.44Å; N188-L191 PolarHBondContact OD1-N 2.91Å; L191-I193 HydrophobicContact CB-CD1 4.38Å; L191-I193 HydrophobicContact CB-CG1 4.19Å; L191-I193 HydrophobicContact CB-CG2 4.2Å; L191-I193 PolarHBondContact O-N 2.62Å |
| 192 | D | 96.2 | Very high | 89.5 | Confident | 30 Ų | 30 | 62.8 Ų | 62.8 | 16% | 0.16 | 32% | 0.315 | C | S | . | . | trans | -83.3 | 71.7 | 178.2 | -169.7 | 5.1 | 0 | 0 | 0 | 110.4 | S145 L147 T159 R160 Y161 | S145-D192 VanDerWaalsContact CB-OD1 3.31Å; S145-D192 WeakPolarHBondContact CB-OD1 3.11Å; S145-D192 PolarHBondContact OG-OD1 3Å; L147-D192 HydrophobicContact CD1-CB 4.26Å; T159-D192 WeakPolarHBondContact CA-OD2 3.48Å; T159-D192 WeakPolarHBondContact CB-OD2 3.07Å; R160-D192 PolarHBondContact N-OD2 3.17Å; Y161-D192 WeakPolarHBondContact CD2-O 3.35Å; Y161-D192 WeakPolarHBondContact CE2-O 3.44Å; Y161-D192 PolarHBondContact N-OD1 2.85Å | ||
| 193 | I | 95.5 | Very high | 90.6 | Very high | 71 Ų | 71 | 60.2 Ų | 60.2 | 36% | 0.364 | 31% | 0.305 | S | S | . | . | trans | -125.1 | 150.2 | -179 | 61.4 | 173.9 | 0 | 0 | 0 | 110.1 | S145 N188 L191 L195 | S145-I193 WeakPolarHBondContact CA-O 3.42Å; S145-I193 WeakPolarHBondContact CB-O 3.49Å; N188-I193 HydrophobicContact CB-CD1 4.11Å; N188-I193 HydrophobicContact CB-CG1 4.48Å; L191-I193 HydrophobicContact CB-CD1 4.38Å; L191-I193 HydrophobicContact CB-CG1 4.19Å; L191-I193 HydrophobicContact CB-CG2 4.2Å; L191-I193 PolarHBondContact O-N 2.62Å; I193-L195 PolarHBondContact O-N 3.24Å | ||
| 194 | I | 95.6 | Very high | 91.5 | Very high | 58 Ų | 58 | 55.3 Ų | 55.3 | 30% | 0.297 | 27% | 0.274 | S | S | . | . | P | Polyproline II helix | trans | -62.3 | 123.3 | 176.1 | -60.1 | 169.1 | 0 | 0 | 0 | 108.5 | P143 V144 Y161 | P143-I194 HydrophobicContact CB-CD1 3.59Å; P143-I194 HydrophobicContact CB-CG1 3.87Å; P143-I194 HydrophobicContact CB-CG2 4.16Å; V144-I194 WeakPolarHBondContact O-CA 3.46Å; Y161-I194 HydrophobicContact CD1-CD1 4.04Å; Y161-I194 HydrophobicContact CD1-CG1 3.63Å; Y161-I194 HydrophobicContact CD2-CG1 4.15Å; Y161-I194 HydrophobicContact CE1-CD1 3.56Å; Y161-I194 HydrophobicContact CE1-CG1 3.51Å; Y161-I194 HydrophobicContact CE2-CG1 4.03Å; Y161-I194 HydrophobicContact CG-CG1 3.95Å |
| 195 | L | 94.7 | Very high | 92.3 | Very high | 1 Ų | 1 | 53.8 Ų | 53.8 | 1% | 0.005 | 27% | 0.265 | C | S | . | . | P | Polyproline II helix | trans | -83.1 | 136.8 | 175.8 | -66.4 | -177 | 0 | 0 | 0 | 110.6 | V144 W146 N188 I193 E199 L200 | V144-L195 PolarHBondContact O-N 3.06Å; W146-L195 HydrophobicContact CB-CD1 3.7Å; N188-L195 HydrophobicContact CB-CD2 4.34Å; N188-L195 WeakPolarHBondContact O-CD2 3.39Å; I193-L195 PolarHBondContact O-N 3.24Å; L195-E199 HydrophobicContact CB-CB 4.19Å; L195-E199 HydrophobicContact CD2-CB 4.1Å; L195-L200 HydrophobicContact CB-CD2 3.85Å; L195-L200 HydrophobicContact CB-CG 3.77Å; L195-L200 HydrophobicContact CD1-CD2 3.81Å; L195-L200 HydrophobicContact CD1-CG 4.46Å; L195-L200 HydrophobicContact CG-CD2 4.45Å |
| 196 | K | 92.4 | Very high | 93 | Very high | 146 Ų | 146 | 49.2 Ų | 49.2 | 64% | 0.635 | 24% | 0.244 | S | C | * | . | P | Polyproline II helix | trans | -70.6 | 157 | 168.4 | -61.8 | 176.2 | -177.8 | 178.9 | 0 | 109.4 | K198 E199 L200 | K196-K198 VanDerWaalsContact C-N 3.26Å; K196-K198 PolarHBondContact O-N 3.2Å; K196-K198 VanDerWaalsContact O-N 3.15Å; K196-E199 HydrophobicContact CB-CG 4.4Å; K196-E199 VanDerWaalsContact CB-OE2 3.31Å; K196-E199 WeakPolarHBondContact CB-OE2 3.33Å; K196-E199 WeakPolarHBondContact CG-OE2 3.46Å; K196-E199 PolarHBondContact N-OE2 2.81Å; K196-E199 WeakPolarHBondContact O-CA 3.37Å; K196-E199 WeakPolarHBondContact O-CB 3.38Å; K196-E199 PolarHBondContact O-N 3.36Å; K196-L200 PolarHBondContact O-N 3.49Å |
| 197 | Q | 90.4 | Very high | 93.3 | Very high | 46 Ų | 46 | 42.7 Ų | 42.7 | 22% | 0.215 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -48 | -46.2 | 177.2 | 171.6 | 174.6 | 85.8 | 0 | 0 | 113.5 | S134 S137 E199 L200 Y201 | S134-Q197 PolarHBondContact O-NE2 3.42Å; S137-Q197 VanDerWaalsContact CB-NE2 3.27Å; Q197-E199 VanDerWaalsContact C-N 3.3Å; Q197-E199 PolarHBondContact O-N 2.91Å; Q197-L200 PolarHBondContact O-N 2.94Å; Q197-Y201 WeakPolarHBondContact O-CB 3.44Å; Q197-Y201 PolarHBondContact O-N 3.39Å |
| 198 | K | 90.2 | Very high | 93.4 | Very high | 132 Ų | 132 | 42.7 Ų | 42.7 | 57% | 0.574 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -62.4 | -37.1 | 179.1 | -173.2 | 175.5 | -179.6 | 178.6 | 0 | 112.3 | K196 Y201 N202 | K196-K198 VanDerWaalsContact C-N 3.26Å; K196-K198 PolarHBondContact O-N 3.2Å; K196-K198 VanDerWaalsContact O-N 3.15Å; K198-Y201 PolarHBondContact O-N 3.03Å; K198-N202 WeakPolarHBondContact O-CB 3.48Å; K198-N202 PolarHBondContact O-N 3.24Å; K198-N202 PolarHBondContact O-ND2 3.32Å; K198-N202 VanDerWaalsContact O-ND2 3.16Å; K198-N202 PolarHBondContact O-OD1 2.98Å |
| 199 | E | 93.8 | Very high | 93.2 | Very high | 44 Ų | 44 | 43.4 Ų | 43.4 | 21% | 0.206 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -69.7 | -41.9 | 177.2 | -61.6 | 172.8 | 105.4 | 0 | 0 | 110.9 | Y187 L195 K196 Q197 N202 K203 | Y187-E199 WeakPolarHBondContact CB-O 3.37Å; L195-E199 HydrophobicContact CB-CB 4.19Å; L195-E199 HydrophobicContact CD2-CB 4.1Å; K196-E199 HydrophobicContact CB-CG 4.4Å; K196-E199 VanDerWaalsContact CB-OE2 3.31Å; K196-E199 WeakPolarHBondContact CB-OE2 3.33Å; K196-E199 WeakPolarHBondContact CG-OE2 3.46Å; K196-E199 PolarHBondContact N-OE2 2.81Å; K196-E199 WeakPolarHBondContact O-CA 3.37Å; K196-E199 WeakPolarHBondContact O-CB 3.38Å; K196-E199 PolarHBondContact O-N 3.36Å; Q197-E199 VanDerWaalsContact C-N 3.3Å; Q197-E199 PolarHBondContact O-N 2.91Å; E199-N202 PolarHBondContact O-N 2.9Å; E199-K203 WeakPolarHBondContact O-CB 3.46Å; E199-K203 PolarHBondContact O-N 3.09Å |
| 200 | L | 94.2 | Very high | 93 | Very high | 10 Ų | 10 | 47.2 Ų | 47.2 | 5% | 0.052 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -60.4 | -44.9 | 172.5 | -71.1 | 170.9 | 0 | 0 | 0 | 111.7 | I131 L133 V144 W146 L195 K196 Q197 K203 F204 | I131-L200 HydrophobicContact CG2-CD1 4.08Å; L133-L200 HydrophobicContact CD2-CB 3.65Å; L133-L200 HydrophobicContact CD2-CD1 4.41Å; V144-L200 HydrophobicContact CG2-CD1 4.13Å; V144-L200 HydrophobicContact CG2-CD2 4.04Å; W146-L200 HydrophobicContact CB-CD2 4.41Å; W146-L200 HydrophobicContact CE3-CD2 4.03Å; L195-L200 HydrophobicContact CB-CD2 3.85Å; L195-L200 HydrophobicContact CB-CG 3.77Å; L195-L200 HydrophobicContact CD1-CD2 3.81Å; L195-L200 HydrophobicContact CD1-CG 4.46Å; L195-L200 HydrophobicContact CG-CD2 4.45Å; K196-L200 PolarHBondContact O-N 3.49Å; Q197-L200 PolarHBondContact O-N 2.94Å; L200-K203 PolarHBondContact O-N 3.46Å; L200-F204 WeakPolarHBondContact O-CB 3.22Å; L200-F204 PolarHBondContact O-N 2.78Å |
| 201 | Y | 93.2 | Very high | 92.6 | Very high | 17 Ų | 17 | 49.4 Ų | 49.4 | 7% | 0.067 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61.1 | -48.9 | 176.3 | -178.5 | -90.3 | 0 | 0 | 0 | 111.8 | I169 H171 I173 Q197 K198 K203 F204 V205 | I169-Y201 HydrophobicContact CD1-CD2 4.05Å; I169-Y201 HydrophobicContact CD1-CE2 3.73Å; I169-Y201 HydrophobicContact CG1-CE2 4.44Å; H171-Y201 HydrophobicContact CB-CD2 4.28Å; H171-Y201 HydrophobicContact CB-CE2 3.99Å; H171-Y201 AromaticContact CE1-CE2 3.98Å; H171-Y201 AromaticContact CG-CD2 3.99Å; H171-Y201 AromaticContact CG-CE2 3.62Å; H171-Y201 AromaticContact ND1-CE2 3.52Å; I173-Y201 WeakPolarHBondContact O-CE2 3.4Å; I173-Y201 PolarHBondContact O-OH 3.04Å; Q197-Y201 WeakPolarHBondContact O-CB 3.44Å; Q197-Y201 PolarHBondContact O-N 3.39Å; K198-Y201 PolarHBondContact O-N 3.03Å; Y201-K203 VanDerWaalsContact C-N 3.31Å; Y201-K203 PolarHBondContact O-N 3.36Å; Y201-F204 WeakPolarHBondContact O-CB 3.39Å; Y201-F204 PolarHBondContact O-N 2.83Å; Y201-V205 HydrophobicContact CD1-CG2 4.06Å; Y201-V205 HydrophobicContact CE1-CG2 3.65Å; Y201-V205 HydrophobicContact CE2-CG2 4.49Å; Y201-V205 WeakPolarHBondContact O-CG2 3.2Å; Y201-V205 PolarHBondContact O-N 3.26Å |
| 202 | N | 92.8 | Very high | 92.2 | Very high | 3 Ų | 3 | 49 Ų | 49 | 2% | 0.016 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -60 | -44 | 177.6 | -65.2 | -25.5 | 0 | 0 | 0 | 111.1 | Y182 P184 M185 Y187 K198 E199 V205 S206 | Y182-N202 PolarHBondContact OH-OD1 3.18Å; P184-N202 HydrophobicContact CB-CB 4.22Å; P184-N202 WeakPolarHBondContact CB-O 3.43Å; M185-N202 WeakPolarHBondContact CB-ND2 3.38Å; M185-N202 WeakPolarHBondContact O-CB 3.48Å; M185-N202 PolarHBondContact O-ND2 2.9Å; M185-N202 VanDerWaalsContact O-ND2 3.11Å; Y187-N202 HydrophobicContact CD1-CB 3.73Å; Y187-N202 HydrophobicContact CE1-CB 4.46Å; K198-N202 WeakPolarHBondContact O-CB 3.48Å; K198-N202 PolarHBondContact O-N 3.24Å; K198-N202 PolarHBondContact O-ND2 3.32Å; K198-N202 VanDerWaalsContact O-ND2 3.16Å; K198-N202 PolarHBondContact O-OD1 2.98Å; E199-N202 PolarHBondContact O-N 2.9Å; N202-V205 PolarHBondContact O-N 3.33Å; N202-S206 PolarHBondContact O-N 3.04Å |
| 203 | K | 94.3 | Very high | 91.8 | Very high | 6 Ų | 6 | 57 Ų | 57 | 3% | 0.026 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63.5 | -43 | 176.9 | -172.4 | 168 | 177.4 | -166.6 | 0 | 111.2 | W146 L147 Y187 D189 E199 L200 Y201 V205 S206 V207 | W146-K203 HydrophobicContact CB-CD 3.92Å; W146-K203 HydrophobicContact CD2-CD 3.42Å; W146-K203 VanDerWaalsContact CD2-CD 3.42Å; W146-K203 HydrophobicContact CD2-CG 3.94Å; W146-K203 HydrophobicContact CE3-CB 3.77Å; W146-K203 HydrophobicContact CE3-CD 3.44Å; W146-K203 VanDerWaalsContact CE3-CD 3.44Å; W146-K203 HydrophobicContact CE3-CG 3.55Å; W146-K203 HydrophobicContact CG-CD 3.65Å; W146-K203 HydrophobicContact CH2-CG 4.1Å; W146-K203 HydrophobicContact CZ2-CG 4.49Å; W146-K203 HydrophobicContact CZ3-CB 3.74Å; W146-K203 HydrophobicContact CZ3-CD 4.06Å; W146-K203 HydrophobicContact CZ3-CG 3.63Å; W146-K203 PolarHBondContact O-NZ 3.18Å; L147-K203 PolarHBondContact O-NZ 3.21Å; Y187-K203 HydrophobicContact CD1-CB 4.08Å; Y187-K203 HydrophobicContact CD2-CB 3.82Å; Y187-K203 HydrophobicContact CD2-CD 3.99Å; Y187-K203 HydrophobicContact CD2-CG 3.92Å; Y187-K203 HydrophobicContact CE1-CB 4.39Å; Y187-K203 HydrophobicContact CE2-CB 4.16Å; Y187-K203 HydrophobicContact CE2-CD 4.18Å; Y187-K203 HydrophobicContact CE2-CG 3.9Å; Y187-K203 HydrophobicContact CG-CB 3.78Å; Y187-K203 HydrophobicContact CG-CG 4.39Å; D189-K203 HydrophobicContact CB-CD 4.14Å; E199-K203 WeakPolarHBondContact O-CB 3.46Å; E199-K203 PolarHBondContact O-N 3.09Å; L200-K203 PolarHBondContact O-N 3.46Å; Y201-K203 VanDerWaalsContact C-N 3.31Å; Y201-K203 PolarHBondContact O-N 3.36Å; K203-V205 PolarHBondContact O-N 3.08Å; K203-S206 WeakPolarHBondContact O-CB 3.44Å; K203-S206 PolarHBondContact O-N 3.15Å; K203-V207 HydrophobicContact CG-CG2 4.22Å; K203-V207 WeakPolarHBondContact O-CG2 3.19Å; K203-V207 PolarHBondContact O-N 2.92Å |
| 204 | F | 94.1 | Very high | 91.4 | Very high | 4 Ų | 4 | 57.4 Ų | 57.4 | 2% | 0.018 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -56.6 | -50.3 | 174.6 | -177.7 | -80.3 | 0 | 0 | 0 | 111.3 | L21 L133 W146 I167 I169 P175 L200 Y201 S206 V207 Y208 | L21-F204 HydrophobicContact CB-CD2 4.03Å; L21-F204 HydrophobicContact CB-CE2 3.36Å; L21-F204 HydrophobicContact CB-CZ 4.06Å; L21-F204 HydrophobicContact CD1-CD2 4.32Å; L21-F204 HydrophobicContact CD1-CE2 4.15Å; L21-F204 HydrophobicContact CG-CE2 4.37Å; L133-F204 HydrophobicContact CD1-CB 3.85Å; L133-F204 HydrophobicContact CD1-CD2 4.06Å; L133-F204 HydrophobicContact CD1-CG 3.96Å; W146-F204 HydrophobicContact CH2-CB 4.32Å; W146-F204 HydrophobicContact CZ3-CB 4.16Å; I167-F204 HydrophobicContact CB-CD2 4.02Å; I167-F204 HydrophobicContact CB-CE2 4.25Å; I167-F204 HydrophobicContact CG2-CD2 3.55Å; I167-F204 HydrophobicContact CG2-CE2 4.02Å; I169-F204 HydrophobicContact CB-CD1 4.39Å; I169-F204 HydrophobicContact CB-CE1 3.88Å; I169-F204 HydrophobicContact CB-CE2 4.09Å; I169-F204 HydrophobicContact CB-CZ 3.7Å; I169-F204 HydrophobicContact CD1-CD1 3.35Å; I169-F204 HydrophobicContact CD1-CE1 3.39Å; I169-F204 HydrophobicContact CD1-CG 4.13Å; I169-F204 HydrophobicContact CD1-CZ 4.13Å; I169-F204 HydrophobicContact CG1-CD1 4.45Å; I169-F204 HydrophobicContact CG1-CE1 4.22Å; I169-F204 HydrophobicContact CG2-CE1 3.77Å; I169-F204 HydrophobicContact CG2-CE2 4.26Å; I169-F204 HydrophobicContact CG2-CZ 3.49Å; I169-F204 VanDerWaalsContact CG2-CZ 3.49Å; P175-F204 HydrophobicContact CG-CD1 3.93Å; P175-F204 HydrophobicContact CG-CE1 3.6Å; L200-F204 WeakPolarHBondContact O-CB 3.22Å; L200-F204 PolarHBondContact O-N 2.78Å; Y201-F204 WeakPolarHBondContact O-CB 3.39Å; Y201-F204 PolarHBondContact O-N 2.83Å; F204-S206 VanDerWaalsContact C-N 3.26Å; F204-S206 PolarHBondContact O-N 3.34Å; F204-V207 PolarHBondContact O-N 3.14Å; F204-Y208 HydrophobicContact CE1-CD2 4.37Å; F204-Y208 HydrophobicContact CE1-CG 4.43Å; F204-Y208 WeakPolarHBondContact O-CB 3.43Å; F204-Y208 PolarHBondContact O-N 2.87Å |
| 205 | V | 92.2 | Very high | 91.1 | Very high | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -60.1 | -39.3 | 178.8 | 175.4 | 0 | 0 | 0 | 0 | 111.1 | P175 L178 Y182 P184 Y201 N202 K203 R209 | P175-V205 HydrophobicContact CB-CG2 4.43Å; P175-V205 HydrophobicContact CG-CG2 4.3Å; L178-V205 HydrophobicContact CD1-CG1 3.85Å; L178-V205 HydrophobicContact CD1-CG2 3.92Å; Y182-V205 HydrophobicContact CD1-CG1 3.77Å; Y182-V205 HydrophobicContact CE1-CB 4.13Å; Y182-V205 HydrophobicContact CE1-CG1 3.69Å; Y182-V205 HydrophobicContact CE1-CG2 4.26Å; P184-V205 HydrophobicContact CG-CB 4.47Å; P184-V205 HydrophobicContact CG-CG1 4.19Å; Y201-V205 HydrophobicContact CD1-CG2 4.06Å; Y201-V205 HydrophobicContact CE1-CG2 3.65Å; Y201-V205 HydrophobicContact CE2-CG2 4.49Å; Y201-V205 WeakPolarHBondContact O-CG2 3.2Å; Y201-V205 PolarHBondContact O-N 3.26Å; N202-V205 PolarHBondContact O-N 3.33Å; K203-V205 PolarHBondContact O-N 3.08Å; V205-R209 WeakPolarHBondContact O-CB 3.42Å; V205-R209 WeakPolarHBondContact O-CD 3.32Å; V205-R209 WeakPolarHBondContact O-CG 3.29Å; V205-R209 PolarHBondContact O-N 3.13Å; V205-R209 VanDerWaalsContact O-N 3.09Å |
| 206 | S | 91.9 | Very high | 90.7 | Very high | 18 Ų | 18 | 68.5 Ų | 68.5 | 13% | 0.126 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -62.5 | -50.9 | 175.6 | -175.6 | 0 | 0 | 0 | 0 | 112.2 | Y187 N202 K203 F204 R209 Q210 | Y187-S206 WeakPolarHBondContact OH-CB 3.18Å; Y187-S206 PolarHBondContact OH-OG 3.39Å; N202-S206 PolarHBondContact O-N 3.04Å; K203-S206 WeakPolarHBondContact O-CB 3.44Å; K203-S206 PolarHBondContact O-N 3.15Å; F204-S206 VanDerWaalsContact C-N 3.26Å; F204-S206 PolarHBondContact O-N 3.34Å; S206-R209 PolarHBondContact O-N 3.32Å; S206-Q210 WeakPolarHBondContact O-CG 3.36Å; S206-Q210 PolarHBondContact O-N 3.15Å; S206-Q210 VanDerWaalsContact O-N 3.15Å |
| 207 | V | 92.1 | Very high | 90.5 | Very high | 19 Ų | 19 | 64.8 Ų | 64.8 | 12% | 0.115 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -65.8 | -45.2 | -179.7 | 178.6 | 0 | 0 | 0 | 0 | 111 | L21 W146 K203 F204 R209 Q210 Y211 | L21-V207 HydrophobicContact CD1-CB 4.26Å; L21-V207 HydrophobicContact CD1-CG1 3.75Å; L21-V207 HydrophobicContact CD2-CG1 4.4Å; W146-V207 HydrophobicContact CH2-CB 4.41Å; W146-V207 HydrophobicContact CH2-CG2 4.1Å; W146-V207 HydrophobicContact CZ2-CB 4.5Å; W146-V207 HydrophobicContact CZ2-CG2 4Å; K203-V207 HydrophobicContact CG-CG2 4.22Å; K203-V207 WeakPolarHBondContact O-CG2 3.19Å; K203-V207 PolarHBondContact O-N 2.92Å; F204-V207 PolarHBondContact O-N 3.14Å; V207-R209 VanDerWaalsContact C-N 3.3Å; V207-R209 PolarHBondContact O-N 2.95Å; V207-Q210 WeakPolarHBondContact O-CB 3.49Å; V207-Q210 PolarHBondContact O-N 3.23Å; V207-Y211 HydrophobicContact CG1-CD2 3.81Å; V207-Y211 HydrophobicContact CG1-CE2 3.46Å; V207-Y211 VanDerWaalsContact CG1-CE2 3.46Å; V207-Y211 WeakPolarHBondContact O-CD2 3.47Å; V207-Y211 PolarHBondContact O-N 3.16Å; V207-Y211 VanDerWaalsContact O-N 3.08Å |
| 208 | Y | 91.4 | Very high | 90.3 | Very high | 58 Ų | 58 | 66.5 Ų | 66.5 | 23% | 0.227 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -52.8 | -48.2 | 175.3 | 177.1 | -95.5 | 0 | 0 | 0 | 111.3 | P175 N176 F204 Q210 Y211 T212 | P175-Y208 HydrophobicContact CB-CD1 3.43Å; P175-Y208 VanDerWaalsContact CB-CD1 3.43Å; P175-Y208 HydrophobicContact CB-CE1 3.66Å; P175-Y208 HydrophobicContact CB-CG 4.05Å; P175-Y208 HydrophobicContact CG-CD1 3.89Å; P175-Y208 HydrophobicContact CG-CD2 4.46Å; P175-Y208 HydrophobicContact CG-CE1 4.28Å; P175-Y208 HydrophobicContact CG-CG 3.99Å; N176-Y208 PolarHBondContact ND2-OH 3.22Å; N176-Y208 WeakPolarHBondContact OD1-CE1 3.41Å; N176-Y208 PolarHBondContact OD1-OH 3.42Å; F204-Y208 HydrophobicContact CE1-CD2 4.37Å; F204-Y208 HydrophobicContact CE1-CG 4.43Å; F204-Y208 WeakPolarHBondContact O-CB 3.43Å; F204-Y208 PolarHBondContact O-N 2.87Å; Y208-Q210 VanDerWaalsContact C-N 3.29Å; Y208-Q210 PolarHBondContact O-N 3.11Å; Y208-Y211 PolarHBondContact O-N 2.94Å; Y208-Y211 VanDerWaalsContact O-N 3.13Å; Y208-T212 HydrophobicContact CD1-CG2 3.96Å; Y208-T212 HydrophobicContact CE1-CG2 3.49Å; Y208-T212 VanDerWaalsContact CE1-CG2 3.49Å; Y208-T212 HydrophobicContact CE2-CG2 4.08Å; Y208-T212 HydrophobicContact CG-CG2 4.45Å; Y208-T212 WeakPolarHBondContact O-CG2 3.28Å; Y208-T212 PolarHBondContact O-N 3.42Å |
| 209 | R | 88.4 | Confident | 89.7 | Confident | 53 Ų | 53 | 66.7 Ų | 66.7 | 20% | 0.2 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -66.6 | -27.2 | 178.6 | -74.8 | 173.2 | 171.4 | -157.7 | -0.9 | 114.2 | Y182 V205 S206 V207 T212 R213 | Y182-R209 VanDerWaalsContact O-CZ 3.24Å; Y182-R209 PolarHBondContact O-NH1 2.63Å; Y182-R209 PolarHBondContact O-NH2 3.04Å; V205-R209 WeakPolarHBondContact O-CB 3.42Å; V205-R209 WeakPolarHBondContact O-CD 3.32Å; V205-R209 WeakPolarHBondContact O-CG 3.29Å; V205-R209 PolarHBondContact O-N 3.13Å; V205-R209 VanDerWaalsContact O-N 3.09Å; S206-R209 PolarHBondContact O-N 3.32Å; V207-R209 VanDerWaalsContact C-N 3.3Å; V207-R209 PolarHBondContact O-N 2.95Å; R209-T212 WeakPolarHBondContact CA-OG1 3.31Å; R209-T212 PolarHBondContact O-OG1 3.29Å; R209-R213 WeakPolarHBondContact O-CD 3.37Å; R209-R213 WeakPolarHBondContact O-CG 3.45Å; R209-R213 PolarHBondContact O-N 2.82Å |
| 210 | Q | 88.5 | Confident | 88.6 | Confident | 118 Ų | 118 | 75.2 Ų | 75.2 | 55% | 0.551 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -67.1 | -46 | 171.5 | -70 | 172.5 | 16.2 | 0 | 0 | 109.8 | S206 V207 Y208 R213 L214 | S206-Q210 WeakPolarHBondContact O-CG 3.36Å; S206-Q210 PolarHBondContact O-N 3.15Å; S206-Q210 VanDerWaalsContact O-N 3.15Å; V207-Q210 WeakPolarHBondContact O-CB 3.49Å; V207-Q210 PolarHBondContact O-N 3.23Å; Y208-Q210 VanDerWaalsContact C-N 3.29Å; Y208-Q210 PolarHBondContact O-N 3.11Å; Q210-R213 PolarHBondContact O-N 2.6Å; Q210-L214 PolarHBondContact O-N 3.28Å |
| 211 | Y | 87.8 | Confident | 88.3 | Confident | 114 Ų | 114 | 78.5 Ų | 78.5 | 45% | 0.447 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -63.3 | -43.5 | 176.8 | -74.5 | -62.4 | 0 | 0 | 0 | 113.1 | L21 V207 Y208 R213 L214 | L21-Y211 HydrophobicContact CD1-CD2 4.24Å; L21-Y211 HydrophobicContact CD1-CE2 4.24Å; V207-Y211 HydrophobicContact CG1-CD2 3.81Å; V207-Y211 HydrophobicContact CG1-CE2 3.46Å; V207-Y211 VanDerWaalsContact CG1-CE2 3.46Å; V207-Y211 WeakPolarHBondContact O-CD2 3.47Å; V207-Y211 PolarHBondContact O-N 3.16Å; V207-Y211 VanDerWaalsContact O-N 3.08Å; Y208-Y211 PolarHBondContact O-N 2.94Å; Y208-Y211 VanDerWaalsContact O-N 3.13Å; Y211-R213 PolarHBondContact O-N 3.45Å; Y211-R213 VanDerWaalsContact O-N 3.12Å; Y211-L214 HydrophobicContact CD1-CD1 3.79Å; Y211-L214 HydrophobicContact CE1-CD1 4.36Å; Y211-L214 WeakPolarHBondContact O-CB 3.21Å; Y211-L214 PolarHBondContact O-N 2.81Å |
| 212 | T | 85.9 | Confident | 88.1 | Confident | 81 Ų | 81 | 81.7 Ų | 81.7 | 50% | 0.497 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -10.3 | 178.6 | 64.8 | 0 | 0 | 0 | 0 | 113.9 | Y208 R209 | Y208-T212 HydrophobicContact CD1-CG2 3.96Å; Y208-T212 HydrophobicContact CE1-CG2 3.49Å; Y208-T212 VanDerWaalsContact CE1-CG2 3.49Å; Y208-T212 HydrophobicContact CE2-CG2 4.08Å; Y208-T212 HydrophobicContact CG-CG2 4.45Å; Y208-T212 WeakPolarHBondContact O-CG2 3.28Å; Y208-T212 PolarHBondContact O-N 3.42Å; R209-T212 WeakPolarHBondContact CA-OG1 3.31Å; R209-T212 PolarHBondContact O-OG1 3.29Å |
| 213 | R | 87.7 | Confident | 87.8 | Confident | 198 Ų | 198 | 86.1 Ų | 86.1 | 75% | 0.747 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.1 | -11.6 | 173.8 | -72.4 | 171.8 | -176.9 | -179 | 0.2 | 112.7 | R209 Q210 Y211 | R209-R213 WeakPolarHBondContact O-CD 3.37Å; R209-R213 WeakPolarHBondContact O-CG 3.45Å; R209-R213 PolarHBondContact O-N 2.82Å; Q210-R213 PolarHBondContact O-N 2.6Å; Y211-R213 PolarHBondContact O-N 3.45Å; Y211-R213 VanDerWaalsContact O-N 3.12Å |
| 214 | L | 88.8 | Confident | 87.4 | Confident | 80 Ų | 80 | 90.8 Ų | 90.8 | 42% | 0.419 | 43% | 0.434 | S | S | . | . | S | Bend | trans | -69.2 | 137.6 | 174.6 | -65.3 | 177.5 | 0 | 0 | 0 | 109.2 | Q210 Y211 F219 | Q210-L214 PolarHBondContact O-N 3.28Å; Y211-L214 HydrophobicContact CD1-CD1 3.79Å; Y211-L214 HydrophobicContact CE1-CD1 4.36Å; Y211-L214 WeakPolarHBondContact O-CB 3.21Å; Y211-L214 PolarHBondContact O-N 2.81Å; L214-F219 HydrophobicContact CB-CE2 4.03Å; L214-F219 HydrophobicContact CB-CZ 4.18Å; L214-F219 HydrophobicContact CD1-CZ 3.94Å |
| 215 | H | 88.7 | Confident | 87 | Confident | 135 Ų | 135 | 96.3 Ų | 96.3 | 63% | 0.625 | 46% | 0.46 | S | S | * | . | trans | -69.5 | 144.7 | 173.9 | -169.8 | -98 | 0 | 0 | 0 | 109.7 | S217 C218 | H215-S217 VanDerWaalsContact ND1-CB 3.31Å; H215-S217 WeakPolarHBondContact ND1-CB 3.44Å; H215-S217 PolarHBondContact ND1-N 3.47Å; H215-S217 PolarHBondContact ND1-OG 3.07Å; H215-S217 PolarHBondContact O-N 3.37Å; H215-C218 WeakPolarHBondContact O-CB 3.44Å; H215-C218 PolarHBondContact O-N 3.03Å | ||
| 216 | E | 85.5 | Confident | 86.6 | Confident | 156 Ų | 156 | 102.7 Ų | 102.7 | 73% | 0.729 | 49% | 0.49 | S | S | * | . | G | 310 helix | trans | -57.3 | -27.4 | -177.6 | -67.8 | -178.2 | 176.2 | 0 | 0 | 112.9 | C218 F219 | E216-C218 PolarHBondContact O-N 2.87Å; E216-C218 VanDerWaalsContact O-N 3.1Å; E216-F219 PolarHBondContact O-N 2.82Å |
| 217 | S | 89.3 | Confident | 86.3 | Confident | 68 Ų | 68 | 108.7 Ų | 108.7 | 48% | 0.476 | 52% | 0.516 | S | S | . | . | G | 310 helix | trans | -63.1 | -12.6 | 175.3 | 68.3 | 0 | 0 | 0 | 0 | 114.5 | H215 F219 | H215-S217 VanDerWaalsContact ND1-CB 3.31Å; H215-S217 WeakPolarHBondContact ND1-CB 3.44Å; H215-S217 PolarHBondContact ND1-N 3.47Å; H215-S217 PolarHBondContact ND1-OG 3.07Å; H215-S217 PolarHBondContact O-N 3.37Å; S217-F219 PolarHBondContact O-N 3.07Å |
| 218 | C | 85.5 | Confident | 85.8 | Confident | 82 Ų | 82 | 115.6 Ų | 115.6 | 55% | 0.554 | 55% | 0.547 | S | S | * | . | G | 310 helix | trans | -76 | -9.7 | 173.3 | -66.1 | 0 | 0 | 0 | 0 | 113 | H215 E216 | H215-C218 WeakPolarHBondContact O-CB 3.44Å; H215-C218 PolarHBondContact O-N 3.03Å; E216-C218 PolarHBondContact O-N 2.87Å; E216-C218 VanDerWaalsContact O-N 3.1Å |
| 219 | F | 78 | Confident | 85.4 | Confident | 136 Ų | 136 | 120.4 Ų | 120.4 | 60% | 0.596 | 57% | 0.574 | S | S | * | * | trans | -115.4 | 4.6 | -174.7 | -55.6 | -81 | 0 | 0 | 0 | 114.2 | L214 E216 S217 | L214-F219 HydrophobicContact CB-CE2 4.03Å; L214-F219 HydrophobicContact CB-CZ 4.18Å; L214-F219 HydrophobicContact CD1-CZ 3.94Å; E216-F219 PolarHBondContact O-N 2.82Å; S217-F219 PolarHBondContact O-N 3.07Å | ||
| 220 | Q | 70.2 | Confident | 85.1 | Confident | 224 Ų | 224 | 126.5 Ų | 126.5 | 100% | 1.047 | 61% | 0.608 | S | S | * | * | trans | -93 | 0 | 173.4 | -65.3 | -178 | -4.8 | 0 | 0 | 110.3 |
Retrieved 220 of 220 residues in 125.1 ms
(Link to these results)