| 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 | 91.1 | Very high | 95.7 | Very high | 102 Ų | 102 | 43.5 Ų | 43.5 | 50% | 0.502 | 23% | 0.225 | S | C | . | . | 0 | 154.6 | 0 | -174.6 | 174.3 | -73.9 | 0 | 0 | 109.7 | Y3 E168 H169 T170 | M1-Y3 HydrophobicContact CB-CD2 4.44Å; M1-Y3 HydrophobicContact CB-CE2 3.75Å; M1-Y3 HydrophobicContact CG-CD2 4.44Å; M1-Y3 HydrophobicContact CG-CE2 3.88Å; M1-Y3 HydrophobicContact SD-CE1 4.07Å; M1-Y3 HydrophobicContact SD-CE2 4.01Å; M1-Y3 VanDerWaalsContact SD-CZ 3.51Å; M1-Y3 PolarHBondContact SD-OH 3.42Å; M1-E168 PolarHBondContact N-O 3.03Å; M1-H169 PolarHBondContact N-ND1 2.86Å; M1-H169 CarbonylContact O-C 3.53Å; M1-H169 VanDerWaalsContact O-CA 3.22Å; M1-H169 WeakPolarHBondContact O-CA 3.39Å; M1-T170 PolarHBondContact O-N 3.06Å | |||
| 2 | I | 96.1 | Very high | 95.4 | Very high | 122 Ų | 122 | 50.7 Ų | 50.7 | 63% | 0.626 | 26% | 0.264 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 128.2 | 176.2 | -56.7 | 176.7 | 0 | 0 | 0 | 108.8 | T170 N172 | I2-T170 CarbonylContact C-O 3.55Å; I2-T170 WeakPolarHBondContact CA-O 3.5Å; I2-N172 WeakPolarHBondContact CG2-ND2 3.46Å |
| 3 | Y | 97.2 | Very high | 95.4 | Very high | 12 Ų | 12 | 49.3 Ų | 49.3 | 5% | 0.047 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 142.3 | 175.6 | -65.4 | -91.2 | 0 | 0 | 0 | 109.8 | M1 K145 P151 F162 L164 H169 T170 I171 N172 | M1-Y3 HydrophobicContact CB-CD2 4.44Å; M1-Y3 HydrophobicContact CB-CE2 3.75Å; M1-Y3 HydrophobicContact CG-CD2 4.44Å; M1-Y3 HydrophobicContact CG-CE2 3.88Å; M1-Y3 HydrophobicContact SD-CE1 4.07Å; M1-Y3 HydrophobicContact SD-CE2 4.01Å; M1-Y3 VanDerWaalsContact SD-CZ 3.51Å; M1-Y3 PolarHBondContact SD-OH 3.42Å; Y3-K145 PolarHBondContact OH-NZ 3.49Å; Y3-P151 HydrophobicContact CE1-CB 4.27Å; Y3-P151 HydrophobicContact CE1-CG 4.41Å; Y3-F162 HydrophobicContact CD1-CD2 4.04Å; Y3-F162 AromaticContact CD1-CE2 3.84Å; Y3-F162 HydrophobicContact CD1-CE2 3.84Å; Y3-F162 HydrophobicContact CD2-CE2 4.2Å; Y3-F162 HydrophobicContact CE1-CD2 4.04Å; Y3-F162 HydrophobicContact CE1-CE2 4.18Å; Y3-F162 HydrophobicContact CG-CD2 4.49Å; Y3-F162 AromaticContact CG-CE2 3.85Å; Y3-F162 HydrophobicContact CG-CE2 3.85Å; Y3-L164 HydrophobicContact CD2-CD2 4.05Å; Y3-L164 HydrophobicContact CE2-CD2 3.63Å; Y3-H169 HydrophobicContact CE2-CB 4.44Å; Y3-H169 AromaticContact CE2-ND1 3.76Å; Y3-T170 PolarHBondContact N-O 2.98Å; Y3-I171 CarbonylContact O-C 3.58Å; Y3-I171 WeakPolarHBondContact O-CA 3.32Å; Y3-N172 PolarHBondContact O-N 2.79Å |
| 4 | T | 97.8 | Very high | 95.5 | Very high | 45 Ų | 45 | 54.1 Ų | 54.1 | 28% | 0.276 | 27% | 0.269 | S | S | . | . | trans | -128.2 | 73 | 165.7 | -51.7 | 0 | 0 | 0 | 0 | 107 | L6 S7 N172 T175 | T4-L6 VanDerWaalsContact C-N 3.28Å; T4-L6 PolarHBondContact O-N 3.37Å; T4-L6 VanDerWaalsContact O-N 3.15Å; T4-S7 VanDerWaalsContact O-CB 3.26Å; T4-S7 WeakPolarHBondContact O-CB 3.45Å; T4-S7 PolarHBondContact O-N 3.18Å; T4-S7 PolarHBondContact O-OG 3.34Å; T4-N172 HydrophobicContact CG2-CB 4.08Å; T4-N172 PolarHBondContact OG1-ND2 2.9Å; T4-N172 VanDerWaalsContact OG1-ND2 3.13Å; T4-T175 HydrophobicContact CG2-CG2 3.49Å; T4-T175 VanDerWaalsContact CG2-CG2 3.49Å | ||
| 5 | P | 97.5 | Very high | 95.7 | Very high | 3 Ų | 3 | 50.9 Ų | 50.9 | 2% | 0.019 | 25% | 0.253 | C | S | . | . | G | 310 helix | trans | -58.9 | -37.1 | -160.1 | -24.8 | 34.3 | 0 | 0 | 0 | 113.8 | S7 I8 L153 V160 F162 I171 M236 | P5-S7 VanDerWaalsContact C-N 3.26Å; P5-S7 PolarHBondContact O-N 3.37Å; P5-I8 WeakPolarHBondContact O-CG1 3.39Å; P5-I8 WeakPolarHBondContact O-CG2 3.26Å; P5-L153 HydrophobicContact CB-CD1 4.46Å; P5-V160 HydrophobicContact CB-CG1 4.07Å; P5-F162 HydrophobicContact CB-CD1 4.31Å; P5-F162 HydrophobicContact CB-CE1 3.72Å; P5-F162 HydrophobicContact CB-CZ 4.28Å; P5-F162 HydrophobicContact CG-CD1 4.32Å; P5-F162 HydrophobicContact CG-CE1 3.36Å; P5-F162 HydrophobicContact CG-CE2 4.43Å; P5-F162 HydrophobicContact CG-CZ 3.43Å; P5-F162 VanDerWaalsContact CG-CZ 3.43Å; P5-I171 HydrophobicContact CG-CG2 4.04Å; P5-M236 HydrophobicContact CB-SD 3.78Å; P5-M236 HydrophobicContact CG-SD 3.77Å |
| 6 | L | 97.5 | Very high | 95.9 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 24% | 0.238 | C | C | . | . | G | 310 helix | trans | -83.1 | 2.7 | -178.8 | -54.7 | -167.5 | 0 | 0 | 0 | 113.6 | T4 I8 F9 V160 T175 Y177 E178 M236 | T4-L6 VanDerWaalsContact C-N 3.28Å; T4-L6 PolarHBondContact O-N 3.37Å; T4-L6 VanDerWaalsContact O-N 3.15Å; L6-I8 PolarHBondContact O-N 3.37Å; L6-F9 HydrophobicContact CB-CD2 4.34Å; L6-F9 HydrophobicContact CD2-CE2 4.09Å; L6-F9 PolarHBondContact O-N 3.2Å; L6-V160 HydrophobicContact CD2-CB 3.94Å; L6-V160 HydrophobicContact CD2-CG2 3.42Å; L6-V160 VanDerWaalsContact CD2-CG2 3.42Å; L6-T175 HydrophobicContact CB-CG2 4.2Å; L6-T175 WeakPolarHBondContact CB-OG1 3.31Å; L6-Y177 VanDerWaalsContact CD1-C 3.49Å; L6-E178 HydrophobicContact CD1-CB 4.22Å; L6-E178 HydrophobicContact CD1-CG 3.77Å; L6-M236 HydrophobicContact CD1-CE 3.82Å; L6-M236 HydrophobicContact CD2-CE 4.46Å; L6-M236 HydrophobicContact CD2-CG 4.27Å; L6-M236 HydrophobicContact CD2-SD 4.16Å; L6-M236 HydrophobicContact CG-CE 3.87Å; L6-M236 HydrophobicContact CG-SD 4.01Å |
| 7 | S | 96.6 | Very high | 96 | Very high | 22 Ų | 22 | 44.9 Ų | 44.9 | 15% | 0.154 | 22% | 0.224 | C | C | . | . | G | 310 helix | trans | -63.2 | -18.2 | 170.5 | 72.2 | 0 | 0 | 0 | 0 | 112.1 | T4 P5 F9 K10 I13 | T4-S7 VanDerWaalsContact O-CB 3.26Å; T4-S7 WeakPolarHBondContact O-CB 3.45Å; T4-S7 PolarHBondContact O-N 3.18Å; T4-S7 PolarHBondContact O-OG 3.34Å; P5-S7 VanDerWaalsContact C-N 3.26Å; P5-S7 PolarHBondContact O-N 3.37Å; S7-F9 PolarHBondContact O-N 3.49Å; S7-K10 WeakPolarHBondContact O-CB 3.48Å; S7-K10 PolarHBondContact O-N 2.8Å; S7-I13 WeakPolarHBondContact O-CG2 3.2Å |
| 8 | I | 97.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 21% | 0.211 | C | C | . | . | G | 310 helix | trans | -53.4 | -21.5 | 172.5 | 61.8 | 172.7 | 0 | 0 | 0 | 114 | P5 L6 K15 L34 V120 V122 L153 V155 V160 | P5-I8 WeakPolarHBondContact O-CG1 3.39Å; P5-I8 WeakPolarHBondContact O-CG2 3.26Å; L6-I8 PolarHBondContact O-N 3.37Å; I8-K15 PolarHBondContact O-NZ 3.4Å; I8-L34 HydrophobicContact CD1-CD2 4.41Å; I8-V120 HydrophobicContact CG2-CG1 3.98Å; I8-V120 HydrophobicContact CG2-CG2 4.15Å; I8-V122 HydrophobicContact CB-CG2 4.25Å; I8-V122 HydrophobicContact CG2-CG2 3.68Å; I8-L153 HydrophobicContact CG2-CD1 3.76Å; I8-V155 HydrophobicContact CD1-CG1 4.28Å; I8-V155 HydrophobicContact CD1-CG2 3.44Å; I8-V155 VanDerWaalsContact CD1-CG2 3.44Å; I8-V160 HydrophobicContact CD1-CG2 3.86Å |
| 9 | F | 96.5 | Very high | 96.3 | Very high | 1 Ų | 1 | 40.3 Ų | 40.3 | 0% | 0.004 | 20% | 0.2 | C | C | . | . | G | 310 helix | trans | -93.4 | -7.6 | 177.5 | -57.6 | -48.1 | 0 | 0 | 0 | 113.7 | L6 S7 L30 R33 L34 V155 Y177 Y238 I243 | L6-F9 HydrophobicContact CB-CD2 4.34Å; L6-F9 HydrophobicContact CD2-CE2 4.09Å; L6-F9 PolarHBondContact O-N 3.2Å; S7-F9 PolarHBondContact O-N 3.49Å; F9-L30 HydrophobicContact CE1-CD1 3.82Å; F9-L30 HydrophobicContact CZ-CD1 4.33Å; F9-R33 HydrophobicContact CB-CG 4.4Å; F9-R33 HydrophobicContact CD1-CG 3.78Å; F9-R33 PolarHBondContact O-NE 3.01Å; F9-L34 HydrophobicContact CD1-CD2 4.25Å; F9-L34 HydrophobicContact CE1-CD2 3.97Å; F9-V155 HydrophobicContact CZ-CG1 4.28Å; F9-Y177 HydrophobicContact CB-CD1 4.23Å; F9-Y177 HydrophobicContact CB-CD2 3.84Å; F9-Y177 HydrophobicContact CB-CE1 4.07Å; F9-Y177 HydrophobicContact CB-CE2 3.65Å; F9-Y177 HydrophobicContact CB-CG 4.14Å; F9-Y177 HydrophobicContact CD2-CD1 4.34Å; F9-Y177 HydrophobicContact CD2-CD2 4.25Å; F9-Y177 AromaticContact CD2-CG 3.97Å; F9-Y177 HydrophobicContact CD2-CG 3.97Å; F9-Y177 PolarHBondContact O-OH 2.89Å; F9-Y238 HydrophobicContact CE2-CD1 4.12Å; F9-Y238 HydrophobicContact CE2-CD2 4.11Å; F9-Y238 AromaticContact CE2-CG 3.88Å; F9-Y238 HydrophobicContact CE2-CG 3.88Å; F9-Y238 HydrophobicContact CZ-CD1 4.16Å; F9-Y238 HydrophobicContact CZ-CD2 4.28Å; F9-Y238 HydrophobicContact CZ-CE1 4.12Å; F9-Y238 HydrophobicContact CZ-CE2 4.27Å; F9-Y238 HydrophobicContact CZ-CG 4.23Å; F9-I243 HydrophobicContact CD1-CD1 4.22Å; F9-I243 HydrophobicContact CD1-CG1 4.14Å; F9-I243 HydrophobicContact CD2-CD1 4.14Å; F9-I243 HydrophobicContact CD2-CG1 4.23Å; F9-I243 HydrophobicContact CE1-CD1 3.81Å; F9-I243 HydrophobicContact CE1-CG1 4.21Å; F9-I243 HydrophobicContact CE2-CD1 3.71Å; F9-I243 HydrophobicContact CE2-CG1 4.3Å; F9-I243 HydrophobicContact CG-CD1 4.38Å; F9-I243 HydrophobicContact CG-CG1 4.15Å; F9-I243 HydrophobicContact CZ-CD1 3.52Å; F9-I243 HydrophobicContact CZ-CG1 4.29Å |
| 10 | K | 94.2 | Very high | 96.4 | Very high | 75 Ų | 75 | 38.9 Ų | 38.9 | 33% | 0.326 | 19% | 0.193 | S | C | . | . | S | Bend | trans | -84.6 | 158.7 | 172.7 | -61.2 | -172.4 | 172.1 | -176.7 | 0 | 111 | S7 D12 Y177 | S7-K10 WeakPolarHBondContact O-CB 3.48Å; S7-K10 PolarHBondContact O-N 2.8Å; K10-D12 WeakPolarHBondContact CB-OD1 3.43Å; K10-Y177 HydrophobicContact CG-CE2 3.97Å |
| 11 | D | 91.2 | Very high | 96.4 | Very high | 97 Ų | 97 | 40 Ų | 40 | 52% | 0.519 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | -16.9 | -176.7 | -72.3 | -17.5 | 0 | 0 | 0 | 113.4 | K36 | D11-K36 WeakPolarHBondContact OD1-CE 3.48Å; D11-K36 IonicContact OD1-NZ 2.76Å; D11-K36 PolarHBondContact OD1-NZ 3.37Å; D11-K36 IonicContact OD2-NZ 2.8Å; D11-K36 PolarHBondContact OD2-NZ 2.88Å |
| 12 | D | 91.6 | Very high | 96.5 | Very high | 129 Ų | 129 | 36.1 Ų | 36.1 | 69% | 0.69 | 18% | 0.181 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89 | -4.1 | -174.3 | 62.7 | -36.6 | 0 | 0 | 0 | 114.2 | K10 | K10-D12 WeakPolarHBondContact CB-OD1 3.43Š|
| 13 | I | 95.7 | Very high | 96.2 | Very high | 33 Ų | 33 | 35.5 Ų | 35.5 | 17% | 0.169 | 19% | 0.185 | C | C | . | . | trans | -91.4 | 131.4 | -178 | -157.5 | 64.8 | 0 | 0 | 0 | 111.6 | S7 K15 D119 V120 | S7-I13 WeakPolarHBondContact O-CG2 3.2Å; I13-K15 HydrophobicContact CG2-CD 4.04Å; I13-K15 PolarHBondContact O-N 2.9Å; I13-D119 HydrophobicContact CD1-CB 3.69Å; I13-D119 HydrophobicContact CG1-CB 4.23Å; I13-V120 HydrophobicContact CG1-CG1 4Å | ||
| 14 | R | 97.1 | Very high | 96 | Very high | 116 Ų | 116 | 40 Ų | 40 | 44% | 0.438 | 21% | 0.209 | S | C | . | . | trans | -87.9 | 109.9 | 174.3 | -57.5 | 165.6 | -64.9 | -162.8 | 0.3 | 108.6 | K117 D119 V120 | R14-K117 WeakPolarHBondContact CD-O 3.41Å; R14-D119 VanDerWaalsContact CB-OD2 3.28Å; R14-D119 WeakPolarHBondContact CB-OD2 3.47Å; R14-D119 IonicContact CZ-OD1 3.52Å; R14-D119 IonicContact CZ-OD2 3.5Å; R14-D119 PolarHBondContact N-OD2 3.27Å; R14-D119 VanDerWaalsContact N-OD2 3.08Å; R14-D119 IonicContact NE-OD1 3.55Å; R14-D119 IonicContact NE-OD2 2.81Å; R14-D119 PolarHBondContact NE-OD2 3.23Å; R14-D119 IonicContact NH2-OD1 3.46Å; R14-D119 PolarHBondContact NH2-OD1 2.81Å; R14-D119 IonicContact NH2-OD2 3.51Å; R14-D119 PolarHBondContact NH2-OD2 2.81Å; R14-D119 WeakPolarHBondContact O-CB 3.44Å; R14-D119 PolarHBondContact O-N 2.68Å; R14-V120 PolarHBondContact O-N 3.36Å | ||
| 15 | K | 98 | Very high | 95.7 | Very high | 7 Ų | 7 | 40.6 Ų | 40.6 | 3% | 0.03 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 139.8 | -175.4 | 61.9 | -162.2 | 178.7 | -160.8 | 0 | 111.8 | I8 I13 V17 R33 L34 K36 A38 Y39 V120 V122 | I8-K15 PolarHBondContact O-NZ 3.4Å; I13-K15 HydrophobicContact CG2-CD 4.04Å; I13-K15 PolarHBondContact O-N 2.9Å; K15-V17 HydrophobicContact CG-CG2 4.15Å; K15-R33 PolarHBondContact NZ-O 2.93Å; K15-L34 WeakPolarHBondContact CE-O 3.32Å; K15-K36 VanDerWaalsContact CE-O 3.3Å; K15-K36 WeakPolarHBondContact CE-O 3.39Å; K15-A38 HydrophobicContact CG-CB 4.19Å; K15-A38 CarbonylContact O-C 3.59Å; K15-A38 VanDerWaalsContact O-CA 3.28Å; K15-A38 WeakPolarHBondContact O-CA 3.19Å; K15-Y39 PolarHBondContact O-N 3.2Å; K15-V120 WeakPolarHBondContact CA-O 3.29Å; K15-V120 HydrophobicContact CB-CG1 3.73Å; K15-V122 HydrophobicContact CB-CG2 4.47Å |
| 16 | A | 98.7 | Very high | 95.5 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 141.7 | 160.8 | 0 | 0 | 0 | 0 | 0 | 108.3 | P40 I107 I111 V118 V120 L121 V122 | A16-P40 CarbonylContact C-O 3.59Å; A16-P40 VanDerWaalsContact CA-O 3.26Å; A16-P40 WeakPolarHBondContact CA-O 3.34Å; A16-P40 HydrophobicContact CB-CG 4.28Å; A16-P40 WeakPolarHBondContact CB-O 3.38Å; A16-I107 HydrophobicContact CB-CG2 3.92Å; A16-I111 HydrophobicContact CB-CD1 4.18Å; A16-V118 HydrophobicContact CB-CG1 3.98Å; A16-V120 PolarHBondContact N-O 3.48Å; A16-L121 HydrophobicContact CB-CD2 3.72Å; A16-V122 PolarHBondContact O-N 3.17Å |
| 17 | V | 98.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 130.9 | -173.8 | -175.4 | 0 | 0 | 0 | 0 | 111 | K15 Y19 L34 A38 P40 V41 A42 V122 | K15-V17 HydrophobicContact CG-CG2 4.15Å; V17-Y19 HydrophobicContact CB-CE2 4.18Å; V17-Y19 HydrophobicContact CG1-CD2 3.85Å; V17-Y19 HydrophobicContact CG1-CE1 4.16Å; V17-Y19 HydrophobicContact CG1-CE2 3.43Å; V17-Y19 VanDerWaalsContact CG1-CE2 3.43Å; V17-Y19 HydrophobicContact CG1-CG 4.39Å; V17-L34 HydrophobicContact CG1-CB 4.29Å; V17-L34 HydrophobicContact CG2-CB 4.49Å; V17-L34 WeakPolarHBondContact CG2-O 3.4Å; V17-A38 HydrophobicContact CB-CB 4.25Å; V17-A38 HydrophobicContact CG2-CB 3.59Å; V17-P40 PolarHBondContact N-O 2.79Å; V17-V41 CarbonylContact O-C 3.55Å; V17-V41 VanDerWaalsContact O-CA 3.26Å; V17-V41 WeakPolarHBondContact O-CA 3.43Å; V17-A42 PolarHBondContact O-N 3.07Å; V17-V122 CarbonylContact C-O 3.54Å; V17-V122 WeakPolarHBondContact CA-O 2.94Å; V17-V122 HydrophobicContact CG2-CB 4.27Å |
| 18 | I | 98.8 | Very high | 95.3 | Very high | 1 Ų | 1 | 47.5 Ų | 47.5 | 1% | 0.005 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 118.6 | 174.5 | -59.2 | 171.8 | 0 | 0 | 0 | 106.5 | L20 V44 F100 C103 V104 I107 V122 A123 A124 | I18-L20 HydrophobicContact CG2-CD2 3.63Å; I18-L20 HydrophobicContact CG2-CG 4.4Å; I18-V44 HydrophobicContact CG2-CG2 3.54Å; I18-F100 HydrophobicContact CD1-CD2 4.47Å; I18-F100 HydrophobicContact CD1-CE2 4.06Å; I18-F100 HydrophobicContact CG2-CD2 4.24Å; I18-F100 HydrophobicContact CG2-CE2 4.42Å; I18-C103 HydrophobicContact CG2-CB 4.43Å; I18-V104 HydrophobicContact CD1-CG2 3.65Å; I18-I107 HydrophobicContact CD1-CG1 4.11Å; I18-I107 HydrophobicContact CG1-CG1 3.97Å; I18-V122 PolarHBondContact N-O 3.03Å; I18-A123 CarbonylContact O-C 3.59Å; I18-A123 VanDerWaalsContact O-CA 3.3Å; I18-A123 WeakPolarHBondContact O-CA 3.38Å; I18-A124 PolarHBondContact O-N 2.98Å |
| 19 | Y | 98.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 114.9 | 174.7 | -68.5 | -84.7 | 0 | 0 | 0 | 109.9 | V17 L26 F31 W35 V41 A42 F43 V44 F47 A124 | V17-Y19 HydrophobicContact CB-CE2 4.18Å; V17-Y19 HydrophobicContact CG1-CD2 3.85Å; V17-Y19 HydrophobicContact CG1-CE1 4.16Å; V17-Y19 HydrophobicContact CG1-CE2 3.43Å; V17-Y19 VanDerWaalsContact CG1-CE2 3.43Å; V17-Y19 HydrophobicContact CG1-CG 4.39Å; Y19-L26 HydrophobicContact CD1-CD1 3.48Å; Y19-L26 VanDerWaalsContact CD1-CD1 3.48Å; Y19-L26 HydrophobicContact CE1-CD1 3.87Å; Y19-F31 AromaticContact CD1-CD2 3.91Å; Y19-F31 HydrophobicContact CD1-CD2 3.91Å; Y19-F31 HydrophobicContact CD1-CE2 4.16Å; Y19-F31 AromaticContact CE1-CD2 3.33Å; Y19-F31 HydrophobicContact CE1-CD2 3.33Å; Y19-F31 AromaticContact CE1-CE2 3.73Å; Y19-F31 HydrophobicContact CE1-CE2 3.73Å; Y19-F31 HydrophobicContact CE1-CG 4.31Å; Y19-F31 HydrophobicContact CE2-CE2 4.09Å; Y19-F31 AromaticContact CZ-CD2 3.67Å; Y19-F31 AromaticContact CZ-CE2 3.67Å; Y19-F31 PolarHBondContact OH-O 2.77Å; Y19-W35 AromaticContact CE2-CE3 3.88Å; Y19-W35 HydrophobicContact CE2-CE3 3.88Å; Y19-W35 HydrophobicContact CE2-CZ3 4.34Å; Y19-W35 WeakPolarHBondContact OH-CA 3.49Å; Y19-W35 WeakPolarHBondContact OH-CB 3.32Å; Y19-W35 PolarHBondContact OH-N 3.41Å; Y19-V41 HydrophobicContact CD2-CG1 3.91Å; Y19-V41 HydrophobicContact CE2-CG1 3.74Å; Y19-A42 PolarHBondContact N-O 2.91Å; Y19-F43 AromaticContact CD2-CD1 3.8Å; Y19-F43 HydrophobicContact CD2-CD1 3.8Å; Y19-F43 AromaticContact CD2-CE1 3.62Å; Y19-F43 HydrophobicContact CD2-CE1 3.62Å; Y19-F43 HydrophobicContact CE2-CE1 4.18Å; Y19-F43 HydrophobicContact CG-CD1 4.2Å; Y19-F43 HydrophobicContact CG-CE1 4.19Å; Y19-V44 PolarHBondContact O-N 3.14Å; Y19-F47 VanDerWaalsContact CB-CD1 3.41Å; Y19-F47 VanDerWaalsContact CB-CZ 3.46Å; Y19-F47 HydrophobicContact CD1-CE1 4.04Å; Y19-F47 HydrophobicContact CD1-CE2 4.06Å; Y19-F47 AromaticContact CD1-CZ 3.55Å; Y19-F47 HydrophobicContact CD1-CZ 3.55Å; Y19-F47 HydrophobicContact CD2-CE1 4.32Å; Y19-F47 HydrophobicContact CE1-CZ 4.44Å; Y19-F47 HydrophobicContact CG-CD1 4.27Å; Y19-F47 AromaticContact CG-CE1 3.65Å; Y19-F47 HydrophobicContact CG-CE1 3.65Å; Y19-F47 HydrophobicContact CG-CE2 4.27Å; Y19-F47 AromaticContact CG-CZ 3.65Å; Y19-F47 HydrophobicContact CG-CZ 3.65Å; Y19-A124 HydrophobicContact CD1-CB 3.61Å; Y19-A124 HydrophobicContact CE1-CB 3.86Å; Y19-A124 HydrophobicContact CG-CB 4.42Å |
| 20 | L | 97.9 | Very high | 95.1 | Very high | 12 Ų | 12 | 50 Ų | 50 | 6% | 0.063 | 27% | 0.265 | C | S | . | . | trans | -87.5 | 147.8 | -175.1 | -60.3 | -175.7 | 0 | 0 | 0 | 112.1 | I18 V44 F47 F100 A123 A124 Q125 L137 | I18-L20 HydrophobicContact CG2-CD2 3.63Å; I18-L20 HydrophobicContact CG2-CG 4.4Å; L20-V44 HydrophobicContact CD2-CB 4.04Å; L20-V44 HydrophobicContact CD2-CG1 4.44Å; L20-V44 HydrophobicContact CD2-CG2 3.65Å; L20-F47 VanDerWaalsContact O-CD2 3.25Å; L20-F47 WeakPolarHBondContact O-CD2 3.39Å; L20-F100 HydrophobicContact CD1-CB 4.48Å; L20-F100 HydrophobicContact CD1-CD1 4.08Å; L20-F100 HydrophobicContact CD1-CD2 4.11Å; L20-F100 HydrophobicContact CD1-CE1 4.34Å; L20-F100 HydrophobicContact CD1-CE2 4.36Å; L20-F100 HydrophobicContact CD1-CG 3.96Å; L20-F100 HydrophobicContact CD1-CZ 4.47Å; L20-F100 HydrophobicContact CD2-CB 3.9Å; L20-F100 HydrophobicContact CD2-CD2 3.62Å; L20-F100 HydrophobicContact CD2-CE2 4.35Å; L20-F100 HydrophobicContact CD2-CG 3.85Å; L20-F100 HydrophobicContact CG-CD2 4.43Å; L20-A123 HydrophobicContact CD1-CB 4.19Å; L20-A124 PolarHBondContact N-O 3.3Å; L20-Q125 HydrophobicContact CB-CB 4.34Å; L20-Q125 HydrophobicContact CD1-CB 4.21Å; L20-L137 HydrophobicContact CD1-CD1 4.39Å; L20-L137 HydrophobicContact CD1-CD2 3.48Å; L20-L137 VanDerWaalsContact CD1-CD2 3.48Å | ||
| 21 | N | 95.6 | Very high | 95.2 | Very high | 62 Ų | 62 | 46.6 Ų | 46.6 | 33% | 0.332 | 25% | 0.25 | S | C | . | . | trans | -70 | 132.8 | 176.5 | -173.7 | 25.4 | 0 | 0 | 0 | 110.9 | G46 F47 S72 | N21-G46 VanDerWaalsContact OD1-C 3.27Å; N21-F47 PolarHBondContact OD1-N 2.78Å; N21-S72 WeakPolarHBondContact ND2-CB 3.5Å; N21-S72 PolarHBondContact ND2-OG 3.34Å | ||
| 22 | H | 94.5 | Very high | 95.4 | Very high | 22 Ų | 22 | 46 Ų | 46 | 10% | 0.102 | 24% | 0.243 | C | C | . | . | trans | -148.7 | 149.9 | 171.8 | -175.5 | -95.4 | 0 | 0 | 0 | 108.9 | I24 H50 M126 | H22-I24 PolarHBondContact ND1-N 2.99Å; H22-I24 PolarHBondContact ND1-O 3.25Å; H22-I24 PolarHBondContact O-N 3.38Å; H22-H50 PolarHBondContact O-CE1 2.87Å; H22-H50 VanDerWaalsContact O-CE1 3.27Å; H22-H50 PolarHBondContact O-NE2 2.87Å; H22-M126 HydrophobicContact CB-CB 4.04Å; H22-M126 PolarHBondContact CD2-O 2.93Å; H22-M126 WeakPolarHBondContact ND1-CB 3.27Å | ||
| 23 | P | 90.4 | Very high | 95.6 | Very high | 109 Ų | 109 | 42 Ų | 42 | 71% | 0.708 | 22% | 0.218 | S | C | * | . | S | Bend | trans | -57.9 | -30.4 | 179.6 | -29.1 | 37 | 0 | 0 | 0 | 114.7 | ||
| 24 | I | 91.8 | Very high | 95.7 | Very high | 106 Ų | 106 | 40.4 Ų | 40.4 | 54% | 0.544 | 21% | 0.21 | S | C | . | . | S | Bend | trans | -101.3 | 134.9 | 178.1 | -59.2 | 170.6 | 0 | 0 | 0 | 109.4 | H22 M126 | H22-I24 PolarHBondContact ND1-N 2.99Å; H22-I24 PolarHBondContact ND1-O 3.25Å; H22-I24 PolarHBondContact O-N 3.38Å; I24-M126 HydrophobicContact CG2-CE 4.22Å |
| 25 | S | 91.9 | Very high | 95.7 | Very high | 57 Ų | 57 | 37.3 Ų | 37.3 | 40% | 0.399 | 20% | 0.198 | S | C | . | . | P | Polyproline II helix | trans | -66.2 | 145.7 | 175 | -55.2 | 0 | 0 | 0 | 0 | 112 | H50 | S25-H50 PolarHBondContact OG-ND1 3.38Š|
| 26 | L | 93.8 | Very high | 95.6 | Very high | 20 Ų | 20 | 41 Ų | 41 | 11% | 0.105 | 21% | 0.214 | C | C | . | . | P | Polyproline II helix | trans | -56.7 | 146.5 | 168 | -77.5 | 165.8 | 0 | 0 | 0 | 111.6 | Y19 E28 L30 F31 F47 A124 Q125 M126 | Y19-L26 HydrophobicContact CD1-CD1 3.48Å; Y19-L26 VanDerWaalsContact CD1-CD1 3.48Å; Y19-L26 HydrophobicContact CE1-CD1 3.87Å; L26-E28 PolarHBondContact O-N 3.12Å; L26-L30 HydrophobicContact CD2-CD2 3.98Å; L26-F31 HydrophobicContact CB-CB 4.46Å; L26-F47 HydrophobicContact CD1-CE2 3.86Å; L26-F47 HydrophobicContact CD1-CZ 4.23Å; L26-F47 HydrophobicContact CG-CE2 4.48Å; L26-A124 HydrophobicContact CD1-CB 3.75Å; L26-Q125 WeakPolarHBondContact CD2-O 3.47Å; L26-M126 HydrophobicContact CD2-CG 4.09Å; L26-M126 HydrophobicContact CD2-SD 4.03Å; L26-M126 HydrophobicContact CG-CG 4.43Å |
| 27 | P | 94.3 | Very high | 95.4 | Very high | 51 Ų | 51 | 46.8 Ų | 46.8 | 33% | 0.331 | 25% | 0.245 | S | C | . | . | P | Polyproline II helix | trans | -52.8 | 135.6 | 167 | -24.6 | 33.3 | 0 | 0 | 0 | 111 | T29 L30 F31 E157 | P27-T29 VanDerWaalsContact C-N 3.26Å; P27-T29 PolarHBondContact O-N 3.41Å; P27-L30 HydrophobicContact CB-CB 4.23Å; P27-L30 PolarHBondContact O-N 2.84Å; P27-F31 PolarHBondContact O-N 2.96Å; P27-E157 HydrophobicContact CG-CB 4.13Å |
| 28 | E | 94.3 | Very high | 95.4 | Very high | 99 Ų | 99 | 47.4 Ų | 47.4 | 46% | 0.463 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -55 | -41.9 | -177.9 | 158 | 153.9 | -136.6 | 0 | 0 | 112.6 | L26 F31 K32 Y57 | L26-E28 PolarHBondContact O-N 3.12Å; E28-F31 PolarHBondContact O-N 3.45Å; E28-K32 HydrophobicContact CG-CD 4.18Å; E28-K32 WeakPolarHBondContact O-CB 3.39Å; E28-K32 WeakPolarHBondContact O-CG 3.12Å; E28-K32 PolarHBondContact O-N 3.05Å; E28-K32 WeakPolarHBondContact OE1-CE 3.06Å; E28-K32 IonicContact OE1-NZ 2.63Å; E28-K32 PolarHBondContact OE1-NZ 3.2Å; E28-Y57 VanDerWaalsContact CB-OH 3.28Å; E28-Y57 WeakPolarHBondContact CB-OH 3.26Å; E28-Y57 WeakPolarHBondContact CG-OH 3.36Å; E28-Y57 PolarHBondContact OE1-OH 3.3Å |
| 29 | T | 94.6 | Very high | 95.3 | Very high | 52 Ų | 52 | 50.4 Ų | 50.4 | 32% | 0.319 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -63.6 | -47.8 | -179.8 | 50.9 | 0 | 0 | 0 | 0 | 111.1 | P27 K32 R33 N244 | P27-T29 VanDerWaalsContact C-N 3.26Å; P27-T29 PolarHBondContact O-N 3.41Å; T29-K32 PolarHBondContact O-N 2.9Å; T29-R33 VanDerWaalsContact O-CB 3.3Å; T29-R33 WeakPolarHBondContact O-CB 3.37Å; T29-R33 PolarHBondContact O-N 2.86Å; T29-N244 WeakPolarHBondContact CG2-OD1 3.26Å |
| 30 | L | 95.8 | Very high | 95.3 | Very high | 3 Ų | 3 | 50.4 Ų | 50.4 | 2% | 0.016 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62.6 | -46.4 | 175.9 | -178.3 | 59.8 | 0 | 0 | 0 | 111.6 | F9 L26 P27 K32 R33 L34 V155 S156 I243 | F9-L30 HydrophobicContact CE1-CD1 3.82Å; F9-L30 HydrophobicContact CZ-CD1 4.33Å; L26-L30 HydrophobicContact CD2-CD2 3.98Å; P27-L30 HydrophobicContact CB-CB 4.23Å; P27-L30 PolarHBondContact O-N 2.84Å; L30-K32 PolarHBondContact O-N 2.82Å; L30-R33 PolarHBondContact O-N 3.2Å; L30-L34 HydrophobicContact CD1-CD1 3.87Å; L30-L34 HydrophobicContact CD1-CG 3.99Å; L30-L34 HydrophobicContact CG-CD1 4.16Å; L30-L34 WeakPolarHBondContact O-CG 3.49Å; L30-L34 PolarHBondContact O-N 3.07Å; L30-V155 HydrophobicContact CD1-CG1 4.11Å; L30-S156 WeakPolarHBondContact CD2-O 3.43Å; L30-I243 HydrophobicContact CD1-CG2 4.43Å |
| 31 | F | 96.4 | Very high | 95.3 | Very high | 3 Ų | 3 | 50 Ų | 50 | 1% | 0.013 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -54.3 | -52.9 | 176.9 | 172.4 | -95.4 | 0 | 0 | 0 | 111.1 | Y19 L26 P27 E28 L34 W35 F43 F47 I51 Y57 Y61 | Y19-F31 AromaticContact CD1-CD2 3.91Å; Y19-F31 HydrophobicContact CD1-CD2 3.91Å; Y19-F31 HydrophobicContact CD1-CE2 4.16Å; Y19-F31 AromaticContact CE1-CD2 3.33Å; Y19-F31 HydrophobicContact CE1-CD2 3.33Å; Y19-F31 AromaticContact CE1-CE2 3.73Å; Y19-F31 HydrophobicContact CE1-CE2 3.73Å; Y19-F31 HydrophobicContact CE1-CG 4.31Å; Y19-F31 HydrophobicContact CE2-CE2 4.09Å; Y19-F31 AromaticContact CZ-CD2 3.67Å; Y19-F31 AromaticContact CZ-CE2 3.67Å; Y19-F31 PolarHBondContact OH-O 2.77Å; L26-F31 HydrophobicContact CB-CB 4.46Å; P27-F31 PolarHBondContact O-N 2.96Å; E28-F31 PolarHBondContact O-N 3.45Å; F31-L34 PolarHBondContact O-N 3.01Å; F31-W35 HydrophobicContact CE1-CE3 4.39Å; F31-W35 HydrophobicContact CE2-CE3 4.08Å; F31-W35 HydrophobicContact CZ-CD2 4.29Å; F31-W35 AromaticContact CZ-CE3 3.62Å; F31-W35 HydrophobicContact CZ-CE3 3.62Å; F31-W35 HydrophobicContact CZ-CZ3 4.12Å; F31-W35 VanDerWaalsContact O-CB 3.3Å; F31-W35 WeakPolarHBondContact O-CB 3.41Å; F31-W35 PolarHBondContact O-N 3.48Å; F31-F43 HydrophobicContact CE2-CE1 4.43Å; F31-F47 HydrophobicContact CD2-CZ 4.02Å; F31-F47 HydrophobicContact CE2-CE1 4.17Å; F31-F47 AromaticContact CE2-CZ 3.98Å; F31-F47 HydrophobicContact CE2-CZ 3.98Å; F31-I51 HydrophobicContact CD2-CD1 4.2Å; F31-I51 HydrophobicContact CE1-CD1 4.43Å; F31-I51 HydrophobicContact CE2-CD1 3.53Å; F31-I51 HydrophobicContact CZ-CD1 3.67Å; F31-Y57 HydrophobicContact CD1-CD2 4.47Å; F31-Y57 AromaticContact CD1-CE2 3.9Å; F31-Y57 HydrophobicContact CD1-CE2 3.9Å; F31-Y57 HydrophobicContact CE1-CD2 4.26Å; F31-Y57 HydrophobicContact CE1-CE2 4.12Å; F31-Y61 AromaticContact CE1-CD1 3.84Å; F31-Y61 HydrophobicContact CE1-CD1 3.84Å; F31-Y61 AromaticContact CE1-CD2 3.66Å; F31-Y61 HydrophobicContact CE1-CD2 3.66Å; F31-Y61 AromaticContact CE1-CE1 4Å; F31-Y61 HydrophobicContact CE1-CE1 4Å; F31-Y61 AromaticContact CE1-CE2 3.86Å; F31-Y61 HydrophobicContact CE1-CE2 3.86Å; F31-Y61 AromaticContact CE1-CG 3.68Å; F31-Y61 HydrophobicContact CE1-CG 3.68Å; F31-Y61 HydrophobicContact CZ-CD1 4.17Å; F31-Y61 HydrophobicContact CZ-CD2 4.16Å; F31-Y61 AromaticContact CZ-CG 3.86Å; F31-Y61 HydrophobicContact CZ-CG 3.86Å |
| 32 | K | 95.8 | Very high | 95.5 | Very high | 85 Ų | 85 | 47 Ų | 47 | 37% | 0.37 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -65.5 | -40.1 | -178.5 | -72.4 | -178.8 | -177.5 | 173 | 0 | 112.7 | E28 T29 L30 L34 W35 K36 Y61 | E28-K32 HydrophobicContact CG-CD 4.18Å; E28-K32 WeakPolarHBondContact O-CB 3.39Å; E28-K32 WeakPolarHBondContact O-CG 3.12Å; E28-K32 PolarHBondContact O-N 3.05Å; E28-K32 WeakPolarHBondContact OE1-CE 3.06Å; E28-K32 IonicContact OE1-NZ 2.63Å; E28-K32 PolarHBondContact OE1-NZ 3.2Å; T29-K32 PolarHBondContact O-N 2.9Å; L30-K32 PolarHBondContact O-N 2.82Å; K32-L34 VanDerWaalsContact C-N 3.35Å; K32-L34 PolarHBondContact O-N 3.29Å; K32-W35 PolarHBondContact O-N 2.99Å; K32-K36 PolarHBondContact O-N 2.95Å; K32-Y61 WeakPolarHBondContact CE-OH 3.47Å |
| 33 | R | 96.1 | Very high | 95.7 | Very high | 44 Ų | 44 | 46 Ų | 46 | 17% | 0.166 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -63.5 | -41.6 | 179.2 | -177.7 | 64 | 124.7 | -153.5 | -20.9 | 112 | F9 K15 T29 L30 Y177 I243 | F9-R33 HydrophobicContact CB-CG 4.4Å; F9-R33 HydrophobicContact CD1-CG 3.78Å; F9-R33 PolarHBondContact O-NE 3.01Å; K15-R33 PolarHBondContact NZ-O 2.93Å; T29-R33 VanDerWaalsContact O-CB 3.3Å; T29-R33 WeakPolarHBondContact O-CB 3.37Å; T29-R33 PolarHBondContact O-N 2.86Å; L30-R33 PolarHBondContact O-N 3.2Å; R33-Y177 PolarHBondContact NH2-OH 3.08Å; R33-I243 HydrophobicContact CB-CG2 3.8Å; R33-I243 HydrophobicContact CG-CG2 4Å |
| 34 | L | 97.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -73.5 | -34.4 | 176 | -63.8 | -177.7 | 0 | 0 | 0 | 111.4 | I8 F9 K15 V17 L30 F31 K32 K36 A38 V122 A124 V155 | I8-L34 HydrophobicContact CD1-CD2 4.41Å; F9-L34 HydrophobicContact CD1-CD2 4.25Å; F9-L34 HydrophobicContact CE1-CD2 3.97Å; K15-L34 WeakPolarHBondContact CE-O 3.32Å; V17-L34 HydrophobicContact CG1-CB 4.29Å; V17-L34 HydrophobicContact CG2-CB 4.49Å; V17-L34 WeakPolarHBondContact CG2-O 3.4Å; L30-L34 HydrophobicContact CD1-CD1 3.87Å; L30-L34 HydrophobicContact CD1-CG 3.99Å; L30-L34 HydrophobicContact CG-CD1 4.16Å; L30-L34 WeakPolarHBondContact O-CG 3.49Å; L30-L34 PolarHBondContact O-N 3.07Å; F31-L34 PolarHBondContact O-N 3.01Å; K32-L34 VanDerWaalsContact C-N 3.35Å; K32-L34 PolarHBondContact O-N 3.29Å; L34-K36 VanDerWaalsContact C-N 3.35Å; L34-K36 PolarHBondContact O-N 3.4Å; L34-A38 WeakPolarHBondContact O-CB 3.49Å; L34-V122 HydrophobicContact CD1-CG1 4.02Å; L34-V122 HydrophobicContact CD2-CG1 4.12Å; L34-A124 HydrophobicContact CD1-CB 3.68Å; L34-V155 HydrophobicContact CD1-CB 4.38Å; L34-V155 HydrophobicContact CD1-CG1 4.15Å |
| 35 | W | 97.3 | Very high | 96.3 | Very high | 50 Ų | 50 | 36.2 Ų | 36.2 | 19% | 0.189 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -64.2 | -39.6 | 179.1 | -177 | -84.2 | 0 | 0 | 0 | 112.8 | Y19 F31 K32 D37 A38 V41 F43 Y61 F62 | Y19-W35 AromaticContact CE2-CE3 3.88Å; Y19-W35 HydrophobicContact CE2-CE3 3.88Å; Y19-W35 HydrophobicContact CE2-CZ3 4.34Å; Y19-W35 WeakPolarHBondContact OH-CA 3.49Å; Y19-W35 WeakPolarHBondContact OH-CB 3.32Å; Y19-W35 PolarHBondContact OH-N 3.41Å; F31-W35 HydrophobicContact CE1-CE3 4.39Å; F31-W35 HydrophobicContact CE2-CE3 4.08Å; F31-W35 HydrophobicContact CZ-CD2 4.29Å; F31-W35 AromaticContact CZ-CE3 3.62Å; F31-W35 HydrophobicContact CZ-CE3 3.62Å; F31-W35 HydrophobicContact CZ-CZ3 4.12Å; F31-W35 VanDerWaalsContact O-CB 3.3Å; F31-W35 WeakPolarHBondContact O-CB 3.41Å; F31-W35 PolarHBondContact O-N 3.48Å; K32-W35 PolarHBondContact O-N 2.99Å; W35-D37 PolarHBondContact O-N 3.17Å; W35-A38 WeakPolarHBondContact O-CB 3.5Å; W35-A38 PolarHBondContact O-N 2.85Å; W35-A38 VanDerWaalsContact O-N 3.11Å; W35-V41 HydrophobicContact CE3-CG1 4.05Å; W35-V41 HydrophobicContact CH2-CG1 4.23Å; W35-V41 HydrophobicContact CZ3-CG1 3.62Å; W35-F43 HydrophobicContact CE3-CE1 4.47Å; W35-F43 HydrophobicContact CH2-CZ 4.17Å; W35-F43 AromaticContact CZ3-CE1 3.65Å; W35-F43 HydrophobicContact CZ3-CE1 3.65Å; W35-F43 AromaticContact CZ3-CZ 3.58Å; W35-F43 HydrophobicContact CZ3-CZ 3.58Å; W35-Y61 AromaticContact CD1-CD1 3.87Å; W35-Y61 AromaticContact CD1-CE1 3.89Å; W35-Y61 AromaticContact CD2-CD1 3.64Å; W35-Y61 HydrophobicContact CD2-CD1 3.64Å; W35-Y61 HydrophobicContact CD2-CE1 4.31Å; W35-Y61 HydrophobicContact CD2-CG 4.48Å; W35-Y61 AromaticContact CE2-CD1 3.5Å; W35-Y61 VanDerWaalsContact CE2-CD1 3.5Å; W35-Y61 HydrophobicContact CE3-CD1 4.22Å; W35-Y61 AromaticContact CG-CD1 3.91Å; W35-Y61 HydrophobicContact CG-CD1 3.91Å; W35-Y61 HydrophobicContact CG-CE1 4.09Å; W35-Y61 HydrophobicContact CH2-CD1 4.45Å; W35-Y61 AromaticContact CZ2-CD1 3.94Å; W35-Y61 HydrophobicContact CZ2-CD1 3.94Å; W35-Y61 HydrophobicContact CZ2-CG 4.49Å; W35-Y61 AromaticContact NE1-CD1 3.62Å; W35-F62 VanDerWaalsContact CH2-O 3.3Å; W35-F62 WeakPolarHBondContact CH2-O 3.44Å |
| 36 | K | 95.7 | Very high | 96.5 | Very high | 85 Ų | 85 | 33.5 Ų | 33.5 | 37% | 0.37 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | 123.3 | -173.5 | -175.2 | -178.3 | 174.2 | -168.2 | 0 | 111.2 | D11 K15 K32 L34 A38 | D11-K36 WeakPolarHBondContact OD1-CE 3.48Å; D11-K36 IonicContact OD1-NZ 2.76Å; D11-K36 PolarHBondContact OD1-NZ 3.37Å; D11-K36 IonicContact OD2-NZ 2.8Å; D11-K36 PolarHBondContact OD2-NZ 2.88Å; K15-K36 VanDerWaalsContact CE-O 3.3Å; K15-K36 WeakPolarHBondContact CE-O 3.39Å; K32-K36 PolarHBondContact O-N 2.95Å; L34-K36 VanDerWaalsContact C-N 3.35Å; L34-K36 PolarHBondContact O-N 3.4Å; K36-A38 PolarHBondContact O-N 2.8Å |
| 37 | D | 94.6 | Very high | 96.7 | Very high | 122 Ų | 122 | 32.8 Ų | 32.8 | 65% | 0.652 | 16% | 0.159 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.8 | 16.7 | 178.3 | -55.5 | -46.6 | 0 | 0 | 0 | 115.2 | W35 | W35-D37 PolarHBondContact O-N 3.17Š|
| 38 | A | 97.7 | Very high | 96.9 | Very high | 12 Ų | 12 | 30.3 Ų | 30.3 | 10% | 0.099 | 14% | 0.143 | C | C | . | . | trans | -74.4 | 136.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | K15 V17 L34 W35 K36 V41 | K15-A38 HydrophobicContact CG-CB 4.19Å; K15-A38 CarbonylContact O-C 3.59Å; K15-A38 VanDerWaalsContact O-CA 3.28Å; K15-A38 WeakPolarHBondContact O-CA 3.19Å; V17-A38 HydrophobicContact CB-CB 4.25Å; V17-A38 HydrophobicContact CG2-CB 3.59Å; L34-A38 WeakPolarHBondContact O-CB 3.49Å; W35-A38 WeakPolarHBondContact O-CB 3.5Å; W35-A38 PolarHBondContact O-N 2.85Å; W35-A38 VanDerWaalsContact O-N 3.11Å; K36-A38 PolarHBondContact O-N 2.8Å; A38-V41 HydrophobicContact CB-CG2 3.59Å | ||
| 39 | Y | 97.8 | Very high | 97 | Very high | 65 Ų | 65 | 26.5 Ų | 26.5 | 26% | 0.255 | 13% | 0.126 | S | C | . | . | S | Bend | trans | -153.5 | 134.4 | 172.2 | -178 | -78.8 | 0 | 0 | 0 | 111.9 | K15 H64 K116 V118 | K15-Y39 PolarHBondContact O-N 3.2Å; Y39-H64 AromaticContact CD2-CD2 3.95Å; Y39-H64 AromaticContact CD2-CE1 3.55Å; Y39-H64 AromaticContact CD2-NE2 3.23Å; Y39-H64 WeakPolarHBondContact CD2-NE2 3.19Å; Y39-H64 AromaticContact CE2-CD2 3.61Å; Y39-H64 AromaticContact CE2-NE2 3.29Å; Y39-H64 VanDerWaalsContact CE2-NE2 3.29Å; Y39-H64 WeakPolarHBondContact CE2-NE2 3.33Å; Y39-K116 HydrophobicContact CD1-CB 4.31Å; Y39-K116 HydrophobicContact CD1-CD 4.26Å; Y39-K116 HydrophobicContact CD1-CG 3.98Å; Y39-K116 HydrophobicContact CE1-CB 4.16Å; Y39-K116 HydrophobicContact CE1-CD 4.11Å; Y39-K116 HydrophobicContact CE1-CG 3.54Å; Y39-V118 WeakPolarHBondContact O-CG2 3.41Å |
| 40 | P | 98.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 12% | 0.115 | C | C | . | . | S | Bend | cis | -70 | 168.7 | -18.4 | 28.2 | -34.4 | 0 | 0 | 0 | 111.8 | A16 V17 H64 F65 I107 I111 | A16-P40 CarbonylContact C-O 3.59Å; A16-P40 VanDerWaalsContact CA-O 3.26Å; A16-P40 WeakPolarHBondContact CA-O 3.34Å; A16-P40 HydrophobicContact CB-CG 4.28Å; A16-P40 WeakPolarHBondContact CB-O 3.38Å; V17-P40 PolarHBondContact N-O 2.79Å; P40-H64 HydrophobicContact CB-CB 4.17Å; P40-F65 HydrophobicContact CB-CD2 4.19Å; P40-F65 HydrophobicContact CB-CE2 3.76Å; P40-F65 HydrophobicContact CG-CE2 4.33Å; P40-I107 HydrophobicContact CB-CD1 3.96Å; P40-I107 HydrophobicContact CG-CD1 3.56Å; P40-I107 HydrophobicContact CG-CG2 4.02Å; P40-I111 HydrophobicContact CG-CG1 4.09Å |
| 41 | V | 98.7 | Very high | 97.2 | Very high | 2 Ų | 2 | 25 Ų | 25 | 1% | 0.012 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 132.6 | 174.4 | 179.3 | 0 | 0 | 0 | 0 | 109 | V17 Y19 W35 A38 F43 P63 H64 F65 | V17-V41 CarbonylContact O-C 3.55Å; V17-V41 VanDerWaalsContact O-CA 3.26Å; V17-V41 WeakPolarHBondContact O-CA 3.43Å; Y19-V41 HydrophobicContact CD2-CG1 3.91Å; Y19-V41 HydrophobicContact CE2-CG1 3.74Å; W35-V41 HydrophobicContact CE3-CG1 4.05Å; W35-V41 HydrophobicContact CH2-CG1 4.23Å; W35-V41 HydrophobicContact CZ3-CG1 3.62Å; A38-V41 HydrophobicContact CB-CG2 3.59Å; V41-F43 HydrophobicContact CG1-CE1 4.29Å; V41-P63 HydrophobicContact CG1-CB 4.36Å; V41-H64 PolarHBondContact N-ND1 2.9Å; V41-H64 WeakPolarHBondContact O-CA 3.42Å; V41-H64 WeakPolarHBondContact O-CB 3.47Å; V41-H64 PolarHBondContact O-N 3.29Å; V41-F65 PolarHBondContact O-N 2.82Å; V41-F65 VanDerWaalsContact O-N 3.08Å |
| 42 | A | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 142.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | V17 Y19 F65 C103 I107 | V17-A42 PolarHBondContact O-N 3.07Å; Y19-A42 PolarHBondContact N-O 2.91Å; A42-F65 CarbonylContact C-O 3.52Å; A42-F65 VanDerWaalsContact CA-O 3.24Å; A42-F65 WeakPolarHBondContact CA-O 3.42Å; A42-F65 HydrophobicContact CB-CB 4.03Å; A42-C103 WeakPolarHBondContact CB-SG 3.42Å; A42-I107 HydrophobicContact CB-CD1 3.84Å; A42-I107 HydrophobicContact CB-CG1 4.28Å |
| 43 | F | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 129.1 | 162.8 | -65.3 | -13 | 0 | 0 | 0 | 108.6 | Y19 F31 W35 V41 F47 A48 I51 P63 F65 L66 T67 | Y19-F43 AromaticContact CD2-CD1 3.8Å; Y19-F43 HydrophobicContact CD2-CD1 3.8Å; Y19-F43 AromaticContact CD2-CE1 3.62Å; Y19-F43 HydrophobicContact CD2-CE1 3.62Å; Y19-F43 HydrophobicContact CE2-CE1 4.18Å; Y19-F43 HydrophobicContact CG-CD1 4.2Å; Y19-F43 HydrophobicContact CG-CE1 4.19Å; F31-F43 HydrophobicContact CE2-CE1 4.43Å; W35-F43 HydrophobicContact CE3-CE1 4.47Å; W35-F43 HydrophobicContact CH2-CZ 4.17Å; W35-F43 AromaticContact CZ3-CE1 3.65Å; W35-F43 HydrophobicContact CZ3-CE1 3.65Å; W35-F43 AromaticContact CZ3-CZ 3.58Å; W35-F43 HydrophobicContact CZ3-CZ 3.58Å; V41-F43 HydrophobicContact CG1-CE1 4.29Å; F43-F47 HydrophobicContact CB-CD1 3.95Å; F43-F47 AromaticContact CD1-CD1 3.46Å; F43-F47 HydrophobicContact CD1-CD1 3.46Å; F43-F47 VanDerWaalsContact CD1-CD1 3.46Å; F43-F47 AromaticContact CD1-CE1 3.54Å; F43-F47 HydrophobicContact CD1-CE1 3.54Å; F43-F47 HydrophobicContact CD2-CD1 4.19Å; F43-F47 AromaticContact CE1-CD1 3.96Å; F43-F47 HydrophobicContact CE1-CD1 3.96Å; F43-F47 AromaticContact CE1-CE1 3.53Å; F43-F47 HydrophobicContact CE1-CE1 3.53Å; F43-F47 AromaticContact CG-CD1 3.6Å; F43-F47 HydrophobicContact CG-CD1 3.6Å; F43-F47 HydrophobicContact CG-CE1 4.07Å; F43-F47 HydrophobicContact CZ-CE1 4.07Å; F43-A48 HydrophobicContact CD2-CB 4.5Å; F43-I51 HydrophobicContact CD2-CG1 4.34Å; F43-I51 HydrophobicContact CE1-CG1 4.41Å; F43-I51 HydrophobicContact CE2-CB 4.05Å; F43-I51 HydrophobicContact CE2-CG1 3.67Å; F43-I51 HydrophobicContact CE2-CG2 3.99Å; F43-I51 HydrophobicContact CZ-CB 4.46Å; F43-I51 HydrophobicContact CZ-CD1 4.38Å; F43-I51 HydrophobicContact CZ-CG1 3.71Å; F43-I51 HydrophobicContact CZ-CG2 4.31Å; F43-P63 HydrophobicContact CB-CB 4.47Å; F43-P63 HydrophobicContact CB-CG 4.34Å; F43-P63 HydrophobicContact CD1-CB 3.95Å; F43-P63 HydrophobicContact CD1-CG 4.4Å; F43-P63 HydrophobicContact CD2-CB 3.93Å; F43-P63 HydrophobicContact CD2-CG 3.47Å; F43-P63 VanDerWaalsContact CD2-CG 3.47Å; F43-P63 HydrophobicContact CE1-CB 4.14Å; F43-P63 HydrophobicContact CE2-CB 4.09Å; F43-P63 HydrophobicContact CE2-CG 3.75Å; F43-P63 HydrophobicContact CG-CB 3.84Å; F43-P63 HydrophobicContact CG-CG 3.81Å; F43-P63 HydrophobicContact CZ-CB 4.19Å; F43-P63 HydrophobicContact CZ-CG 4.34Å; F43-F65 PolarHBondContact N-O 2.98Å; F43-L66 HydrophobicContact CB-CD1 4.03Å; F43-L66 WeakPolarHBondContact O-CA 3.45Å; F43-T67 PolarHBondContact O-N 2.88Å |
| 44 | V | 98.2 | Very high | 97 | Very high | 7 Ų | 7 | 31.9 Ų | 31.9 | 4% | 0.042 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 112.3 | 176.5 | -179 | 0 | 0 | 0 | 0 | 109.2 | I18 Y19 L20 G46 F47 T67 D99 C103 | I18-V44 HydrophobicContact CG2-CG2 3.54Å; Y19-V44 PolarHBondContact O-N 3.14Å; L20-V44 HydrophobicContact CD2-CB 4.04Å; L20-V44 HydrophobicContact CD2-CG1 4.44Å; L20-V44 HydrophobicContact CD2-CG2 3.65Å; V44-G46 PolarHBondContact O-N 3.28Å; V44-F47 VanDerWaalsContact O-CB 3.31Å; V44-F47 WeakPolarHBondContact O-CB 3.34Å; V44-F47 PolarHBondContact O-N 3.44Å; V44-T67 CarbonylContact C-O 3.48Å; V44-T67 WeakPolarHBondContact CA-O 3.18Å; V44-D99 HydrophobicContact CG1-CB 3.59Å; V44-C103 HydrophobicContact CG2-CB 3.87Å |
| 45 | D | 96.4 | Very high | 96.7 | Very high | 3 Ų | 3 | 37.1 Ų | 37.1 | 2% | 0.016 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 42.7 | -112.6 | 173.1 | -172.8 | 12.5 | 0 | 0 | 0 | 113.5 | F47 A48 T67 F70 S72 I73 | D45-F47 PolarHBondContact O-N 3.41Å; D45-A48 WeakPolarHBondContact O-CB 3.29Å; D45-A48 PolarHBondContact O-N 3.39Å; D45-A48 VanDerWaalsContact O-N 3.17Å; D45-T67 PolarHBondContact N-O 3.42Å; D45-F70 VanDerWaalsContact OD1-CA 3.29Å; D45-F70 WeakPolarHBondContact OD1-CA 3.36Å; D45-S72 WeakPolarHBondContact OD2-CB 3.36Å; D45-S72 PolarHBondContact OD2-N 3Å; D45-S72 PolarHBondContact OD2-OG 3.04Å; D45-I73 VanDerWaalsContact OD1-CB 3.27Å; D45-I73 WeakPolarHBondContact OD1-CB 3.49Å; D45-I73 WeakPolarHBondContact OD1-CG2 3.35Å; D45-I73 PolarHBondContact OD1-N 2.72Å |
| 46 | G | 96.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -12.5 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | N21 V44 A48 N49 | N21-G46 VanDerWaalsContact OD1-C 3.27Å; V44-G46 PolarHBondContact O-N 3.28Å; G46-A48 PolarHBondContact O-N 2.72Å; G46-N49 VanDerWaalsContact O-CB 3.25Å; G46-N49 WeakPolarHBondContact O-CB 3.47Å; G46-N49 PolarHBondContact O-N 2.85Å; G46-N49 PolarHBondContact O-ND2 2.98Å |
| 47 | F | 97.6 | Very high | 96.4 | Very high | 5 Ų | 5 | 37 Ų | 37 | 2% | 0.022 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -56.4 | -35.8 | 173.4 | -176.4 | -94.2 | 0 | 0 | 0 | 111.8 | Y19 L20 N21 L26 F31 F43 V44 D45 N49 H50 I51 | Y19-F47 VanDerWaalsContact CB-CD1 3.41Å; Y19-F47 VanDerWaalsContact CB-CZ 3.46Å; Y19-F47 HydrophobicContact CD1-CE1 4.04Å; Y19-F47 HydrophobicContact CD1-CE2 4.06Å; Y19-F47 AromaticContact CD1-CZ 3.55Å; Y19-F47 HydrophobicContact CD1-CZ 3.55Å; Y19-F47 HydrophobicContact CD2-CE1 4.32Å; Y19-F47 HydrophobicContact CE1-CZ 4.44Å; Y19-F47 HydrophobicContact CG-CD1 4.27Å; Y19-F47 AromaticContact CG-CE1 3.65Å; Y19-F47 HydrophobicContact CG-CE1 3.65Å; Y19-F47 HydrophobicContact CG-CE2 4.27Å; Y19-F47 AromaticContact CG-CZ 3.65Å; Y19-F47 HydrophobicContact CG-CZ 3.65Å; L20-F47 VanDerWaalsContact O-CD2 3.25Å; L20-F47 WeakPolarHBondContact O-CD2 3.39Å; N21-F47 PolarHBondContact OD1-N 2.78Å; L26-F47 HydrophobicContact CD1-CE2 3.86Å; L26-F47 HydrophobicContact CD1-CZ 4.23Å; L26-F47 HydrophobicContact CG-CE2 4.48Å; F31-F47 HydrophobicContact CD2-CZ 4.02Å; F31-F47 HydrophobicContact CE2-CE1 4.17Å; F31-F47 AromaticContact CE2-CZ 3.98Å; F31-F47 HydrophobicContact CE2-CZ 3.98Å; F43-F47 HydrophobicContact CB-CD1 3.95Å; F43-F47 AromaticContact CD1-CD1 3.46Å; F43-F47 HydrophobicContact CD1-CD1 3.46Å; F43-F47 VanDerWaalsContact CD1-CD1 3.46Å; F43-F47 AromaticContact CD1-CE1 3.54Å; F43-F47 HydrophobicContact CD1-CE1 3.54Å; F43-F47 HydrophobicContact CD2-CD1 4.19Å; F43-F47 AromaticContact CE1-CD1 3.96Å; F43-F47 HydrophobicContact CE1-CD1 3.96Å; F43-F47 AromaticContact CE1-CE1 3.53Å; F43-F47 HydrophobicContact CE1-CE1 3.53Å; F43-F47 AromaticContact CG-CD1 3.6Å; F43-F47 HydrophobicContact CG-CD1 3.6Å; F43-F47 HydrophobicContact CG-CE1 4.07Å; F43-F47 HydrophobicContact CZ-CE1 4.07Å; V44-F47 VanDerWaalsContact O-CB 3.31Å; V44-F47 WeakPolarHBondContact O-CB 3.34Å; V44-F47 PolarHBondContact O-N 3.44Å; D45-F47 PolarHBondContact O-N 3.41Å; F47-N49 PolarHBondContact O-N 3.3Å; F47-N49 VanDerWaalsContact O-N 3.15Å; F47-H50 WeakPolarHBondContact O-CB 3.16Å; F47-H50 PolarHBondContact O-N 2.69Å; F47-I51 HydrophobicContact CD1-CG1 4.09Å; F47-I51 HydrophobicContact CE1-CD1 3.69Å; F47-I51 HydrophobicContact CE1-CG1 3.49Å; F47-I51 VanDerWaalsContact CE1-CG1 3.49Å; F47-I51 HydrophobicContact CZ-CD1 3.87Å; F47-I51 HydrophobicContact CZ-CG1 4.15Å |
| 48 | A | 98 | Very high | 96.4 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -56.8 | -30.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | F43 D45 G46 H50 I51 Y52 L66 I73 V77 Y81 | F43-A48 HydrophobicContact CD2-CB 4.5Å; D45-A48 WeakPolarHBondContact O-CB 3.29Å; D45-A48 PolarHBondContact O-N 3.39Å; D45-A48 VanDerWaalsContact O-N 3.17Å; G46-A48 PolarHBondContact O-N 2.72Å; A48-H50 VanDerWaalsContact C-N 3.26Å; A48-H50 PolarHBondContact O-N 3.46Å; A48-I51 PolarHBondContact O-N 2.97Å; A48-Y52 WeakPolarHBondContact O-CB 3.35Å; A48-Y52 PolarHBondContact O-N 2.85Å; A48-L66 HydrophobicContact CB-CD1 3.82Å; A48-I73 HydrophobicContact CB-CD1 3.62Å; A48-I73 HydrophobicContact CB-CG1 4.24Å; A48-V77 HydrophobicContact CB-CG1 4.08Å; A48-Y81 HydrophobicContact CB-CD2 4.06Å; A48-Y81 HydrophobicContact CB-CE2 3.7Å |
| 49 | N | 97.6 | Very high | 96.2 | Very high | 19 Ų | 19 | 37.8 Ų | 37.8 | 10% | 0.102 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -61.5 | -35.8 | 176.1 | -62 | -38.3 | 0 | 0 | 0 | 111.7 | G46 F47 R53 S72 Q74 | G46-N49 VanDerWaalsContact O-CB 3.25Å; G46-N49 WeakPolarHBondContact O-CB 3.47Å; G46-N49 PolarHBondContact O-N 2.85Å; G46-N49 PolarHBondContact O-ND2 2.98Å; F47-N49 PolarHBondContact O-N 3.3Å; F47-N49 VanDerWaalsContact O-N 3.15Å; N49-R53 VanDerWaalsContact O-CG 3.26Å; N49-R53 WeakPolarHBondContact O-CG 3.38Å; N49-R53 PolarHBondContact O-N 3.17Å; N49-R53 VanDerWaalsContact O-N 3.14Å; N49-R53 PolarHBondContact O-NE 2.9Å; N49-S72 PolarHBondContact ND2-O 2.94Å; N49-Q74 PolarHBondContact OD1-N 2.95Å |
| 50 | H | 96.4 | Very high | 96.1 | Very high | 20 Ų | 20 | 40 Ų | 40 | 9% | 0.093 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -66.6 | -45.2 | 179.8 | -62.4 | -56.3 | 0 | 0 | 0 | 111.8 | H22 S25 F47 A48 R53 | H22-H50 PolarHBondContact O-CE1 2.87Å; H22-H50 VanDerWaalsContact O-CE1 3.27Å; H22-H50 PolarHBondContact O-NE2 2.87Å; S25-H50 PolarHBondContact OG-ND1 3.38Å; F47-H50 WeakPolarHBondContact O-CB 3.16Å; F47-H50 PolarHBondContact O-N 2.69Å; A48-H50 VanDerWaalsContact C-N 3.26Å; A48-H50 PolarHBondContact O-N 3.46Å; H50-R53 PolarHBondContact CE1-NH2 3.25Å; H50-R53 VanDerWaalsContact CE1-NH2 3.33Å; H50-R53 PolarHBondContact ND1-NH2 2.97Å |
| 51 | I | 97 | Very high | 96 | Very high | 4 Ų | 4 | 42 Ų | 42 | 2% | 0.021 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -67.4 | -42.3 | 179.4 | -56.8 | -54.8 | 0 | 0 | 0 | 110.4 | F31 F43 F47 A48 R53 N54 Y57 R58 Y81 | F31-I51 HydrophobicContact CD2-CD1 4.2Å; F31-I51 HydrophobicContact CE1-CD1 4.43Å; F31-I51 HydrophobicContact CE2-CD1 3.53Å; F31-I51 HydrophobicContact CZ-CD1 3.67Å; F43-I51 HydrophobicContact CD2-CG1 4.34Å; F43-I51 HydrophobicContact CE1-CG1 4.41Å; F43-I51 HydrophobicContact CE2-CB 4.05Å; F43-I51 HydrophobicContact CE2-CG1 3.67Å; F43-I51 HydrophobicContact CE2-CG2 3.99Å; F43-I51 HydrophobicContact CZ-CB 4.46Å; F43-I51 HydrophobicContact CZ-CD1 4.38Å; F43-I51 HydrophobicContact CZ-CG1 3.71Å; F43-I51 HydrophobicContact CZ-CG2 4.31Å; F47-I51 HydrophobicContact CD1-CG1 4.09Å; F47-I51 HydrophobicContact CE1-CD1 3.69Å; F47-I51 HydrophobicContact CE1-CG1 3.49Å; F47-I51 VanDerWaalsContact CE1-CG1 3.49Å; F47-I51 HydrophobicContact CZ-CD1 3.87Å; F47-I51 HydrophobicContact CZ-CG1 4.15Å; A48-I51 PolarHBondContact O-N 2.97Å; I51-R53 PolarHBondContact O-N 2.84Å; I51-N54 PolarHBondContact O-N 2.72Å; I51-Y57 HydrophobicContact CD1-CD2 4.02Å; I51-R58 PolarHBondContact O-N 3.12Å; I51-Y81 WeakPolarHBondContact CG2-OH 3.5Å |
| 52 | Y | 96.6 | Very high | 96 | Very high | 58 Ų | 58 | 45.3 Ų | 45.3 | 23% | 0.227 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -64.5 | -37.1 | -178.9 | -173.1 | -89.1 | 0 | 0 | 0 | 113.6 | A48 N54 R58 V77 F80 | A48-Y52 WeakPolarHBondContact O-CB 3.35Å; A48-Y52 PolarHBondContact O-N 2.85Å; Y52-N54 PolarHBondContact O-N 3.5Å; Y52-R58 HydrophobicContact CD2-CG 4.05Å; Y52-R58 HydrophobicContact CE2-CG 4.47Å; Y52-R58 VanDerWaalsContact OH-CZ 3.24Å; Y52-R58 PolarHBondContact OH-NH1 3.48Å; Y52-R58 PolarHBondContact OH-NH2 3.42Å; Y52-R58 VanDerWaalsContact OH-NH2 3.15Å; Y52-V77 HydrophobicContact CD1-CG2 3.56Å; Y52-V77 HydrophobicContact CD2-CB 4.34Å; Y52-V77 HydrophobicContact CD2-CG1 3.96Å; Y52-V77 HydrophobicContact CD2-CG2 4.12Å; Y52-V77 HydrophobicContact CE1-CG2 3.98Å; Y52-V77 HydrophobicContact CE2-CG2 4.49Å; Y52-V77 HydrophobicContact CG-CB 4.23Å; Y52-V77 HydrophobicContact CG-CG1 3.87Å; Y52-V77 HydrophobicContact CG-CG2 3.62Å; Y52-F80 HydrophobicContact CD2-CB 4.21Å; Y52-F80 AromaticContact CD2-CD1 3.6Å; Y52-F80 HydrophobicContact CD2-CD1 3.6Å; Y52-F80 HydrophobicContact CD2-CE1 4.14Å; Y52-F80 AromaticContact CD2-CG 3.97Å; Y52-F80 HydrophobicContact CD2-CG 3.97Å; Y52-F80 HydrophobicContact CE2-CB 3.57Å; Y52-F80 AromaticContact CE2-CD1 3.69Å; Y52-F80 HydrophobicContact CE2-CD1 3.69Å; Y52-F80 HydrophobicContact CE2-CD2 4.17Å; Y52-F80 HydrophobicContact CE2-CE1 4.4Å; Y52-F80 AromaticContact CE2-CG 3.53Å; Y52-F80 HydrophobicContact CE2-CG 3.53Å |
| 53 | R | 95.2 | Very high | 95.9 | Very high | 158 Ų | 158 | 45.4 Ų | 45.4 | 60% | 0.596 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -64.4 | -26.4 | -179.1 | -79.1 | -174.1 | -63.7 | 161.5 | -1.3 | 113.4 | N49 H50 I51 | N49-R53 VanDerWaalsContact O-CG 3.26Å; N49-R53 WeakPolarHBondContact O-CG 3.38Å; N49-R53 PolarHBondContact O-N 3.17Å; N49-R53 VanDerWaalsContact O-N 3.14Å; N49-R53 PolarHBondContact O-NE 2.9Å; H50-R53 PolarHBondContact CE1-NH2 3.25Å; H50-R53 VanDerWaalsContact CE1-NH2 3.33Å; H50-R53 PolarHBondContact ND1-NH2 2.97Å; I51-R53 PolarHBondContact O-N 2.84Å |
| 54 | N | 92.8 | Very high | 95.9 | Very high | 60 Ų | 60 | 48.4 Ų | 48.4 | 32% | 0.321 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -96.5 | 112 | 176.5 | -178.6 | -27.8 | 0 | 0 | 0 | 109.9 | I51 Y52 N56 Y57 R58 | I51-N54 PolarHBondContact O-N 2.72Å; Y52-N54 PolarHBondContact O-N 3.5Å; N54-N56 PolarHBondContact O-N 3.25Å; N54-N56 WeakPolarHBondContact OD1-CB 3.45Å; N54-N56 PolarHBondContact OD1-N 3.27Å; N54-Y57 HydrophobicContact CB-CD1 4.39Å; N54-Y57 HydrophobicContact CB-CD2 4.46Å; N54-Y57 HydrophobicContact CB-CG 4.01Å; N54-Y57 WeakPolarHBondContact O-CA 3.29Å; N54-Y57 PolarHBondContact O-N 3.17Å; N54-Y57 PolarHBondContact OD1-N 3.19Å; N54-R58 WeakPolarHBondContact O-CB 3.49Å; N54-R58 PolarHBondContact O-N 3.43Å |
| 55 | I | 90.8 | Very high | 96 | Very high | 109 Ų | 109 | 49.3 Ų | 49.3 | 56% | 0.559 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -55.1 | -38.3 | -177.1 | -164.7 | 82.5 | 0 | 0 | 0 | 112.8 | Y57 N59 | I55-Y57 VanDerWaalsContact C-N 3.26Å; I55-Y57 PolarHBondContact O-N 3.44Å; I55-N59 PolarHBondContact O-ND2 3.26Å |
| 56 | N | 91.8 | Very high | 96.1 | Very high | 110 Ų | 110 | 49.1 Ų | 49.1 | 59% | 0.588 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -69.3 | -31.1 | 178.4 | -69.3 | -32.5 | 0 | 0 | 0 | 110.7 | N54 N60 | N54-N56 PolarHBondContact O-N 3.25Å; N54-N56 WeakPolarHBondContact OD1-CB 3.45Å; N54-N56 PolarHBondContact OD1-N 3.27Å; N56-N60 WeakPolarHBondContact O-CB 3.48Å; N56-N60 PolarHBondContact O-ND2 3.46Å |
| 57 | Y | 95.3 | Very high | 96.2 | Very high | 23 Ų | 23 | 49.1 Ų | 49.1 | 9% | 0.09 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -82.7 | -46.3 | -177.2 | -77 | 25.8 | 0 | 0 | 0 | 111.1 | E28 F31 I51 N54 I55 N59 N60 Y61 | E28-Y57 VanDerWaalsContact CB-OH 3.28Å; E28-Y57 WeakPolarHBondContact CB-OH 3.26Å; E28-Y57 WeakPolarHBondContact CG-OH 3.36Å; E28-Y57 PolarHBondContact OE1-OH 3.3Å; F31-Y57 HydrophobicContact CD1-CD2 4.47Å; F31-Y57 AromaticContact CD1-CE2 3.9Å; F31-Y57 HydrophobicContact CD1-CE2 3.9Å; F31-Y57 HydrophobicContact CE1-CD2 4.26Å; F31-Y57 HydrophobicContact CE1-CE2 4.12Å; I51-Y57 HydrophobicContact CD1-CD2 4.02Å; N54-Y57 HydrophobicContact CB-CD1 4.39Å; N54-Y57 HydrophobicContact CB-CD2 4.46Å; N54-Y57 HydrophobicContact CB-CG 4.01Å; N54-Y57 WeakPolarHBondContact O-CA 3.29Å; N54-Y57 PolarHBondContact O-N 3.17Å; N54-Y57 PolarHBondContact OD1-N 3.19Å; I55-Y57 VanDerWaalsContact C-N 3.26Å; I55-Y57 PolarHBondContact O-N 3.44Å; Y57-N59 PolarHBondContact O-N 2.99Å; Y57-N60 PolarHBondContact O-N 3.02Å; Y57-Y61 HydrophobicContact CD1-CD2 4.01Å; Y57-Y61 AromaticContact CD1-CE2 3.66Å; Y57-Y61 HydrophobicContact CD1-CE2 3.66Å; Y57-Y61 HydrophobicContact CD2-CD2 4.1Å; Y57-Y61 HydrophobicContact CD2-CE2 4.27Å; Y57-Y61 AromaticContact CE1-CE2 3.97Å; Y57-Y61 HydrophobicContact CE1-CE2 3.97Å; Y57-Y61 AromaticContact CG-CD2 3.7Å; Y57-Y61 HydrophobicContact CG-CD2 3.7Å; Y57-Y61 AromaticContact CG-CE2 3.82Å; Y57-Y61 HydrophobicContact CG-CE2 3.82Å; Y57-Y61 PolarHBondContact O-N 2.99Å |
| 58 | R | 94 | Very high | 96.2 | Very high | 59 Ų | 59 | 48.9 Ų | 48.9 | 22% | 0.223 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -48.8 | -36.7 | 177.4 | -179.1 | -178.3 | 169.9 | 177 | 2.8 | 113.4 | I51 Y52 N54 F62 F80 | I51-R58 PolarHBondContact O-N 3.12Å; Y52-R58 HydrophobicContact CD2-CG 4.05Å; Y52-R58 HydrophobicContact CE2-CG 4.47Å; Y52-R58 VanDerWaalsContact OH-CZ 3.24Å; Y52-R58 PolarHBondContact OH-NH1 3.48Å; Y52-R58 PolarHBondContact OH-NH2 3.42Å; Y52-R58 VanDerWaalsContact OH-NH2 3.15Å; N54-R58 WeakPolarHBondContact O-CB 3.49Å; N54-R58 PolarHBondContact O-N 3.43Å; R58-F62 WeakPolarHBondContact O-CE1 3.35Å; R58-F62 VanDerWaalsContact O-CZ 3.29Å; R58-F62 WeakPolarHBondContact O-CZ 3.43Å; R58-F80 HydrophobicContact CG-CE1 3.73Å; R58-F80 HydrophobicContact CG-CE2 4.3Å; R58-F80 HydrophobicContact CG-CZ 3.56Å |
| 59 | N | 93.3 | Very high | 96.1 | Very high | 92 Ų | 92 | 50.6 Ų | 50.6 | 49% | 0.492 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | -8.5 | -176.2 | -66.8 | -22.3 | 0 | 0 | 0 | 114.2 | I55 Y57 F62 | I55-N59 PolarHBondContact O-ND2 3.26Å; Y57-N59 PolarHBondContact O-N 2.99Å; N59-F62 WeakPolarHBondContact O-CE2 3.48Å |
| 60 | N | 95.5 | Very high | 96 | Very high | 112 Ų | 112 | 50.9 Ų | 50.9 | 60% | 0.599 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -125.3 | -21.6 | -172.4 | -68.2 | -60.8 | 0 | 0 | 0 | 114 | N56 Y57 | N56-N60 WeakPolarHBondContact O-CB 3.48Å; N56-N60 PolarHBondContact O-ND2 3.46Å; Y57-N60 PolarHBondContact O-N 3.02Å |
| 61 | Y | 96.9 | Very high | 95.9 | Very high | 40 Ų | 40 | 55.7 Ų | 55.7 | 16% | 0.157 | 27% | 0.265 | C | S | . | . | trans | -116.9 | 90 | -175.7 | -58.9 | -65.3 | 0 | 0 | 0 | 111.2 | F31 K32 W35 Y57 | F31-Y61 AromaticContact CE1-CD1 3.84Å; F31-Y61 HydrophobicContact CE1-CD1 3.84Å; F31-Y61 AromaticContact CE1-CD2 3.66Å; F31-Y61 HydrophobicContact CE1-CD2 3.66Å; F31-Y61 AromaticContact CE1-CE1 4Å; F31-Y61 HydrophobicContact CE1-CE1 4Å; F31-Y61 AromaticContact CE1-CE2 3.86Å; F31-Y61 HydrophobicContact CE1-CE2 3.86Å; F31-Y61 AromaticContact CE1-CG 3.68Å; F31-Y61 HydrophobicContact CE1-CG 3.68Å; F31-Y61 HydrophobicContact CZ-CD1 4.17Å; F31-Y61 HydrophobicContact CZ-CD2 4.16Å; F31-Y61 AromaticContact CZ-CG 3.86Å; F31-Y61 HydrophobicContact CZ-CG 3.86Å; K32-Y61 WeakPolarHBondContact CE-OH 3.47Å; W35-Y61 AromaticContact CD1-CD1 3.87Å; W35-Y61 AromaticContact CD1-CE1 3.89Å; W35-Y61 AromaticContact CD2-CD1 3.64Å; W35-Y61 HydrophobicContact CD2-CD1 3.64Å; W35-Y61 HydrophobicContact CD2-CE1 4.31Å; W35-Y61 HydrophobicContact CD2-CG 4.48Å; W35-Y61 AromaticContact CE2-CD1 3.5Å; W35-Y61 VanDerWaalsContact CE2-CD1 3.5Å; W35-Y61 HydrophobicContact CE3-CD1 4.22Å; W35-Y61 AromaticContact CG-CD1 3.91Å; W35-Y61 HydrophobicContact CG-CD1 3.91Å; W35-Y61 HydrophobicContact CG-CE1 4.09Å; W35-Y61 HydrophobicContact CH2-CD1 4.45Å; W35-Y61 AromaticContact CZ2-CD1 3.94Å; W35-Y61 HydrophobicContact CZ2-CD1 3.94Å; W35-Y61 HydrophobicContact CZ2-CG 4.49Å; W35-Y61 AromaticContact NE1-CD1 3.62Å; Y57-Y61 HydrophobicContact CD1-CD2 4.01Å; Y57-Y61 AromaticContact CD1-CE2 3.66Å; Y57-Y61 HydrophobicContact CD1-CE2 3.66Å; Y57-Y61 HydrophobicContact CD2-CD2 4.1Å; Y57-Y61 HydrophobicContact CD2-CE2 4.27Å; Y57-Y61 AromaticContact CE1-CE2 3.97Å; Y57-Y61 HydrophobicContact CE1-CE2 3.97Å; Y57-Y61 AromaticContact CG-CD2 3.7Å; Y57-Y61 HydrophobicContact CG-CD2 3.7Å; Y57-Y61 AromaticContact CG-CE2 3.82Å; Y57-Y61 HydrophobicContact CG-CE2 3.82Å; Y57-Y61 PolarHBondContact O-N 2.99Å | ||
| 62 | F | 97.6 | Very high | 95.9 | Very high | 73 Ų | 73 | 58 Ų | 58 | 32% | 0.32 | 28% | 0.281 | S | S | . | . | trans | -103.9 | 119.8 | 176.5 | -62.6 | -77.6 | 0 | 0 | 0 | 110.5 | W35 R58 N59 F80 Y81 V84 V87 | W35-F62 VanDerWaalsContact CH2-O 3.3Å; W35-F62 WeakPolarHBondContact CH2-O 3.44Å; R58-F62 WeakPolarHBondContact O-CE1 3.35Å; R58-F62 VanDerWaalsContact O-CZ 3.29Å; R58-F62 WeakPolarHBondContact O-CZ 3.43Å; N59-F62 WeakPolarHBondContact O-CE2 3.48Å; F62-F80 HydrophobicContact CE1-CE1 4.2Å; F62-F80 AromaticContact CE1-CZ 3.87Å; F62-F80 HydrophobicContact CE1-CZ 3.87Å; F62-F80 HydrophobicContact CZ-CZ 4.47Å; F62-Y81 HydrophobicContact CD1-CE1 4.41Å; F62-V84 HydrophobicContact CD1-CB 4.45Å; F62-V84 HydrophobicContact CD1-CG1 3.72Å; F62-V84 HydrophobicContact CD1-CG2 4.07Å; F62-V84 HydrophobicContact CE1-CG1 4.01Å; F62-V84 HydrophobicContact CE1-CG2 3.77Å; F62-V84 HydrophobicContact CG-CG1 4.35Å; F62-V87 HydrophobicContact CB-CG2 4.1Å; F62-V87 HydrophobicContact CD1-CG2 4.28Å | ||
| 63 | P | 98.5 | Very high | 95.9 | Very high | 2 Ų | 2 | 55.9 Ų | 55.9 | 1% | 0.013 | 27% | 0.273 | C | S | . | . | trans | -73 | 163.7 | 178.9 | 35.7 | -37.7 | 0 | 0 | 0 | 109.7 | V41 F43 F65 Y81 V87 | V41-P63 HydrophobicContact CG1-CB 4.36Å; F43-P63 HydrophobicContact CB-CB 4.47Å; F43-P63 HydrophobicContact CB-CG 4.34Å; F43-P63 HydrophobicContact CD1-CB 3.95Å; F43-P63 HydrophobicContact CD1-CG 4.4Å; F43-P63 HydrophobicContact CD2-CB 3.93Å; F43-P63 HydrophobicContact CD2-CG 3.47Å; F43-P63 VanDerWaalsContact CD2-CG 3.47Å; F43-P63 HydrophobicContact CE1-CB 4.14Å; F43-P63 HydrophobicContact CE2-CB 4.09Å; F43-P63 HydrophobicContact CE2-CG 3.75Å; F43-P63 HydrophobicContact CG-CB 3.84Å; F43-P63 HydrophobicContact CG-CG 3.81Å; F43-P63 HydrophobicContact CZ-CB 4.19Å; F43-P63 HydrophobicContact CZ-CG 4.34Å; P63-F65 WeakPolarHBondContact CB-O 3.41Å; P63-Y81 HydrophobicContact CG-CE1 4.5Å; P63-V87 HydrophobicContact CG-CG1 4.13Å; P63-V87 HydrophobicContact CG-CG2 4.5Å; P63-V87 WeakPolarHBondContact O-CG2 3.45Å | ||
| 64 | H | 98.5 | Very high | 96.1 | Very high | 63 Ų | 63 | 53.7 Ų | 53.7 | 29% | 0.292 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -73.8 | -35.6 | 167.4 | -62.7 | 82.5 | 0 | 0 | 0 | 110.5 | Y39 P40 V41 S88 | Y39-H64 AromaticContact CD2-CD2 3.95Å; Y39-H64 AromaticContact CD2-CE1 3.55Å; Y39-H64 AromaticContact CD2-NE2 3.23Å; Y39-H64 WeakPolarHBondContact CD2-NE2 3.19Å; Y39-H64 AromaticContact CE2-CD2 3.61Å; Y39-H64 AromaticContact CE2-NE2 3.29Å; Y39-H64 VanDerWaalsContact CE2-NE2 3.29Å; Y39-H64 WeakPolarHBondContact CE2-NE2 3.33Å; P40-H64 HydrophobicContact CB-CB 4.17Å; V41-H64 PolarHBondContact N-ND1 2.9Å; V41-H64 WeakPolarHBondContact O-CA 3.42Å; V41-H64 WeakPolarHBondContact O-CB 3.47Å; V41-H64 PolarHBondContact O-N 3.29Å; H64-S88 WeakPolarHBondContact O-CB 3.25Å; H64-S88 PolarHBondContact O-N 3.24Å |
| 65 | F | 98.8 | Very high | 96.3 | Very high | 25 Ų | 25 | 56.2 Ų | 56.2 | 11% | 0.11 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 137.8 | -178.8 | -55.9 | -77.6 | 0 | 0 | 0 | 112 | P40 V41 A42 F43 P63 T67 S88 I90 I106 I107 S110 | P40-F65 HydrophobicContact CB-CD2 4.19Å; P40-F65 HydrophobicContact CB-CE2 3.76Å; P40-F65 HydrophobicContact CG-CE2 4.33Å; V41-F65 PolarHBondContact O-N 2.82Å; V41-F65 VanDerWaalsContact O-N 3.08Å; A42-F65 CarbonylContact C-O 3.52Å; A42-F65 VanDerWaalsContact CA-O 3.24Å; A42-F65 WeakPolarHBondContact CA-O 3.42Å; A42-F65 HydrophobicContact CB-CB 4.03Å; F43-F65 PolarHBondContact N-O 2.98Å; P63-F65 WeakPolarHBondContact CB-O 3.41Å; F65-T67 HydrophobicContact CB-CG2 3.8Å; F65-S88 CarbonylContact C-O 3.55Å; F65-S88 WeakPolarHBondContact CA-O 3.46Å; F65-I90 HydrophobicContact CD1-CD1 3.76Å; F65-I90 HydrophobicContact CE1-CD1 4.17Å; F65-I106 HydrophobicContact CD1-CG2 3.84Å; F65-I106 HydrophobicContact CD2-CG2 4.39Å; F65-I106 HydrophobicContact CE1-CG2 4.12Å; F65-I106 HydrophobicContact CG-CG2 4Å; F65-I107 HydrophobicContact CD2-CD1 4Å; F65-I107 HydrophobicContact CE2-CD1 4.46Å; F65-S110 WeakPolarHBondContact CE2-OG 3.49Å; F65-S110 VanDerWaalsContact CZ-CB 3.48Å; F65-S110 WeakPolarHBondContact CZ-OG 3.35Å |
| 66 | L | 98.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 115.1 | 161.5 | 171.6 | 60.1 | 0 | 0 | 0 | 107 | F43 A48 F70 I73 L78 Y81 V87 S88 V89 I90 | F43-L66 HydrophobicContact CB-CD1 4.03Å; F43-L66 WeakPolarHBondContact O-CA 3.45Å; A48-L66 HydrophobicContact CB-CD1 3.82Å; L66-F70 HydrophobicContact CG-CE1 4.1Å; L66-I73 HydrophobicContact CD1-CD1 4.18Å; L66-I73 HydrophobicContact CD2-CD1 3.71Å; L66-I73 HydrophobicContact CG-CD1 4.47Å; L66-L78 HydrophobicContact CD2-CD1 4.07Å; L66-Y81 HydrophobicContact CD2-CD2 4.02Å; L66-Y81 HydrophobicContact CD2-CG 3.93Å; L66-V87 HydrophobicContact CB-CG1 4.17Å; L66-S88 PolarHBondContact N-O 3.24Å; L66-V89 HydrophobicContact CB-CG2 4.31Å; L66-V89 HydrophobicContact CD2-CG1 4.35Å; L66-V89 HydrophobicContact CD2-CG2 4.28Å; L66-V89 CarbonylContact O-C 3.58Å; L66-V89 WeakPolarHBondContact O-CA 3.47Å; L66-I90 PolarHBondContact O-N 2.95Å |
| 67 | T | 98.5 | Very high | 96.9 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 147.6 | -170.1 | 70.8 | 0 | 0 | 0 | 0 | 111.8 | F43 V44 D45 F65 I90 C103 I106 | F43-T67 PolarHBondContact O-N 2.88Å; V44-T67 CarbonylContact C-O 3.48Å; V44-T67 WeakPolarHBondContact CA-O 3.18Å; D45-T67 PolarHBondContact N-O 3.42Å; F65-T67 HydrophobicContact CB-CG2 3.8Å; T67-I90 WeakPolarHBondContact CA-O 3.44Å; T67-I90 HydrophobicContact CG2-CB 4.29Å; T67-C103 WeakPolarHBondContact OG1-CB 3.32Å; T67-I106 HydrophobicContact CG2-CD1 3.59Å; T67-I106 HydrophobicContact CG2-CG2 4.35Å |
| 68 | G | 97.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 154.4 | 177.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | I90 E91 T92 D99 | G68-I90 PolarHBondContact N-O 3.06Å; G68-E91 WeakPolarHBondContact O-CA 3.36Å; G68-T92 VanDerWaalsContact CA-OG1 3.24Å; G68-T92 WeakPolarHBondContact CA-OG1 3.48Å; G68-T92 PolarHBondContact N-OG1 2.8Å; G68-T92 PolarHBondContact O-N 3.41Å; G68-T92 PolarHBondContact O-OG1 2.78Å; G68-D99 VanDerWaalsContact CA-OD2 3.24Å; G68-D99 WeakPolarHBondContact CA-OD2 3.39Å |
| 69 | D | 96.1 | Very high | 97.3 | Very high | 35 Ų | 35 | 49.6 Ų | 49.6 | 19% | 0.187 | 26% | 0.26 | C | S | . | . | trans | -78 | -6.6 | 168.4 | 64.3 | 14.1 | 0 | 0 | 0 | 113.2 | D71 Q95 D99 | D69-D71 VanDerWaalsContact C-N 3.32Å; D69-D71 PolarHBondContact O-N 2.77Å; D69-D71 PolarHBondContact OD1-N 2.82Å; D69-Q95 PolarHBondContact OD2-NE2 2.84Å; D69-Q95 VanDerWaalsContact OD2-NE2 3.17Å; D69-D99 PolarHBondContact N-OD1 2.98Å; D69-D99 PolarHBondContact N-OD2 2.89Å | ||
| 70 | F | 96.4 | Very high | 97.5 | Very high | 26 Ų | 26 | 46.7 Ų | 46.7 | 11% | 0.114 | 24% | 0.243 | C | C | . | . | S | Bend | trans | 65.9 | 29.5 | 174.8 | -53.6 | -39.5 | 0 | 0 | 0 | 114.3 | D45 L66 I73 L78 V89 I90 E91 | D45-F70 VanDerWaalsContact OD1-CA 3.29Å; D45-F70 WeakPolarHBondContact OD1-CA 3.36Å; L66-F70 HydrophobicContact CG-CE1 4.1Å; F70-I73 HydrophobicContact CB-CG2 3.65Å; F70-I73 HydrophobicContact CD1-CG2 3.93Å; F70-I73 HydrophobicContact CG-CG2 4.09Å; F70-L78 HydrophobicContact CB-CD2 4.29Å; F70-L78 HydrophobicContact CD1-CD1 4.3Å; F70-L78 HydrophobicContact CD2-CD1 4.18Å; F70-L78 HydrophobicContact CD2-CD2 4.21Å; F70-L78 HydrophobicContact CE1-CD1 4.34Å; F70-L78 HydrophobicContact CE2-CD1 4.19Å; F70-L78 HydrophobicContact CG-CD1 4.24Å; F70-L78 HydrophobicContact CG-CD2 4.29Å; F70-L78 HydrophobicContact CZ-CD1 4.28Å; F70-V89 HydrophobicContact CE2-CG1 3.9Å; F70-V89 HydrophobicContact CZ-CG1 3.61Å; F70-I90 WeakPolarHBondContact CZ-O 2.98Å; F70-E91 HydrophobicContact CD2-CB 4.1Å; F70-E91 HydrophobicContact CD2-CG 3.85Å; F70-E91 VanDerWaalsContact CE2-CA 3.49Å; F70-E91 HydrophobicContact CE2-CB 3.65Å; F70-E91 HydrophobicContact CE2-CG 3.94Å |
| 71 | D | 94.7 | Very high | 97.6 | Very high | 121 Ų | 121 | 41.4 Ų | 41.4 | 65% | 0.647 | 21% | 0.214 | S | C | * | . | S | Bend | trans | -78.6 | -22.4 | 174.9 | 83.1 | -3.8 | 0 | 0 | 0 | 113.5 | D69 | D69-D71 VanDerWaalsContact C-N 3.32Å; D69-D71 PolarHBondContact O-N 2.77Å; D69-D71 PolarHBondContact OD1-N 2.82Å |
| 72 | S | 95.6 | Very high | 97.7 | Very high | 51 Ų | 51 | 46 Ų | 46 | 36% | 0.357 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -106.4 | -24.3 | -175.6 | -59.2 | 0 | 0 | 0 | 0 | 113.4 | N21 D45 N49 | N21-S72 WeakPolarHBondContact ND2-CB 3.5Å; N21-S72 PolarHBondContact ND2-OG 3.34Å; D45-S72 WeakPolarHBondContact OD2-CB 3.36Å; D45-S72 PolarHBondContact OD2-N 3Å; D45-S72 PolarHBondContact OD2-OG 3.04Å; N49-S72 PolarHBondContact ND2-O 2.94Å |
| 73 | I | 97.7 | Very high | 97.6 | Very high | 14 Ų | 14 | 46.8 Ų | 46.8 | 7% | 0.072 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -71.4 | 137.7 | 176.9 | -166.1 | 171.5 | 0 | 0 | 0 | 112.1 | D45 A48 L66 F70 V77 L78 | D45-I73 VanDerWaalsContact OD1-CB 3.27Å; D45-I73 WeakPolarHBondContact OD1-CB 3.49Å; D45-I73 WeakPolarHBondContact OD1-CG2 3.35Å; D45-I73 PolarHBondContact OD1-N 2.72Å; A48-I73 HydrophobicContact CB-CD1 3.62Å; A48-I73 HydrophobicContact CB-CG1 4.24Å; L66-I73 HydrophobicContact CD1-CD1 4.18Å; L66-I73 HydrophobicContact CD2-CD1 3.71Å; L66-I73 HydrophobicContact CG-CD1 4.47Å; F70-I73 HydrophobicContact CB-CG2 3.65Å; F70-I73 HydrophobicContact CD1-CG2 3.93Å; F70-I73 HydrophobicContact CG-CG2 4.09Å; I73-V77 HydrophobicContact CD1-CB 4.45Å; I73-V77 HydrophobicContact CD1-CG1 4.1Å; I73-V77 HydrophobicContact CG1-CB 4.08Å; I73-V77 HydrophobicContact CG1-CG1 4.07Å; I73-L78 HydrophobicContact CD1-CB 3.97Å; I73-L78 HydrophobicContact CD1-CD1 4.21Å; I73-L78 HydrophobicContact CG1-CB 4.29Å; I73-L78 HydrophobicContact CG2-CB 4.14Å; I73-L78 HydrophobicContact CG2-CD1 4.46Å; I73-L78 HydrophobicContact CG2-CD2 4.32Å |
| 74 | Q | 98 | Very high | 97.6 | Very high | 112 Ų | 112 | 48 Ų | 48 | 52% | 0.523 | 25% | 0.254 | S | S | . | . | trans | -72.3 | 139.7 | 174.7 | -66.1 | 177.7 | -6.1 | 0 | 0 | 110.7 | N49 G76 V77 L78 | N49-Q74 PolarHBondContact OD1-N 2.95Å; Q74-G76 PolarHBondContact O-N 2.92Å; Q74-V77 HydrophobicContact CB-CB 4.28Å; Q74-V77 HydrophobicContact CB-CG2 3.81Å; Q74-V77 WeakPolarHBondContact O-CA 3.46Å; Q74-V77 WeakPolarHBondContact O-CB 3.42Å; Q74-V77 PolarHBondContact O-N 3.34Å; Q74-L78 PolarHBondContact O-N 2.91Å | ||
| 75 | L | 97.5 | Very high | 97.4 | Very high | 114 Ų | 114 | 54.6 Ų | 54.6 | 60% | 0.597 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -52 | -48.9 | -176.7 | -179.2 | 61.9 | 0 | 0 | 0 | 113.3 | V77 L78 E79 | L75-V77 PolarHBondContact O-N 2.7Å; L75-L78 WeakPolarHBondContact O-CB 3.27Å; L75-L78 PolarHBondContact O-N 3.05Å; L75-E79 HydrophobicContact CD1-CG 4.3Å; L75-E79 HydrophobicContact CG-CG 4.48Å; L75-E79 WeakPolarHBondContact O-CG 3.11Å; L75-E79 PolarHBondContact O-N 3.23Å |
| 76 | G | 97.8 | Very high | 97.2 | Very high | 37 Ų | 37 | 59.7 Ų | 59.7 | 38% | 0.381 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -65.2 | -25.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q74 F80 | Q74-G76 PolarHBondContact O-N 2.92Å; G76-F80 WeakPolarHBondContact O-CB 3.46Å; G76-F80 PolarHBondContact O-N 2.76Å; G76-F80 VanDerWaalsContact O-N 3.11Å |
| 77 | V | 98.1 | Very high | 97.2 | Very high | 2 Ų | 2 | 60.3 Ų | 60.3 | 1% | 0.012 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -75.4 | -44.3 | 174.4 | -178 | 0 | 0 | 0 | 0 | 110 | A48 Y52 I73 Q74 L75 F80 Y81 | A48-V77 HydrophobicContact CB-CG1 4.08Å; Y52-V77 HydrophobicContact CD1-CG2 3.56Å; Y52-V77 HydrophobicContact CD2-CB 4.34Å; Y52-V77 HydrophobicContact CD2-CG1 3.96Å; Y52-V77 HydrophobicContact CD2-CG2 4.12Å; Y52-V77 HydrophobicContact CE1-CG2 3.98Å; Y52-V77 HydrophobicContact CE2-CG2 4.49Å; Y52-V77 HydrophobicContact CG-CB 4.23Å; Y52-V77 HydrophobicContact CG-CG1 3.87Å; Y52-V77 HydrophobicContact CG-CG2 3.62Å; I73-V77 HydrophobicContact CD1-CB 4.45Å; I73-V77 HydrophobicContact CD1-CG1 4.1Å; I73-V77 HydrophobicContact CG1-CB 4.08Å; I73-V77 HydrophobicContact CG1-CG1 4.07Å; Q74-V77 HydrophobicContact CB-CB 4.28Å; Q74-V77 HydrophobicContact CB-CG2 3.81Å; Q74-V77 WeakPolarHBondContact O-CA 3.46Å; Q74-V77 WeakPolarHBondContact O-CB 3.42Å; Q74-V77 PolarHBondContact O-N 3.34Å; L75-V77 PolarHBondContact O-N 2.7Å; V77-F80 WeakPolarHBondContact O-CB 3.33Å; V77-F80 PolarHBondContact O-N 3.17Å; V77-Y81 HydrophobicContact CG1-CD2 3.86Å; V77-Y81 HydrophobicContact CG1-CE2 3.77Å; V77-Y81 VanDerWaalsContact O-CD2 3.3Å; V77-Y81 WeakPolarHBondContact O-CD2 3.22Å; V77-Y81 PolarHBondContact O-N 2.83Å |
| 78 | L | 98.4 | Very high | 97.1 | Very high | 12 Ų | 12 | 63.1 Ų | 63.1 | 6% | 0.063 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -60.6 | -45.9 | 175.1 | -179.1 | 60.7 | 0 | 0 | 0 | 111.4 | L66 F70 I73 Q74 L75 F80 Y81 R82 V89 | L66-L78 HydrophobicContact CD2-CD1 4.07Å; F70-L78 HydrophobicContact CB-CD2 4.29Å; F70-L78 HydrophobicContact CD1-CD1 4.3Å; F70-L78 HydrophobicContact CD2-CD1 4.18Å; F70-L78 HydrophobicContact CD2-CD2 4.21Å; F70-L78 HydrophobicContact CE1-CD1 4.34Å; F70-L78 HydrophobicContact CE2-CD1 4.19Å; F70-L78 HydrophobicContact CG-CD1 4.24Å; F70-L78 HydrophobicContact CG-CD2 4.29Å; F70-L78 HydrophobicContact CZ-CD1 4.28Å; I73-L78 HydrophobicContact CD1-CB 3.97Å; I73-L78 HydrophobicContact CD1-CD1 4.21Å; I73-L78 HydrophobicContact CG1-CB 4.29Å; I73-L78 HydrophobicContact CG2-CB 4.14Å; I73-L78 HydrophobicContact CG2-CD1 4.46Å; I73-L78 HydrophobicContact CG2-CD2 4.32Å; Q74-L78 PolarHBondContact O-N 2.91Å; L75-L78 WeakPolarHBondContact O-CB 3.27Å; L75-L78 PolarHBondContact O-N 3.05Å; L78-F80 VanDerWaalsContact C-N 3.33Å; L78-F80 PolarHBondContact O-N 3.19Å; L78-Y81 PolarHBondContact O-N 3.16Å; L78-R82 WeakPolarHBondContact O-CB 3.36Å; L78-R82 WeakPolarHBondContact O-CG 3.39Å; L78-R82 PolarHBondContact O-N 3.13Å; L78-V89 HydrophobicContact CD1-CG1 3.77Å |
| 79 | E | 98.1 | Very high | 97.2 | Very high | 111 Ų | 111 | 65.1 Ų | 65.1 | 52% | 0.519 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -60.1 | -42.3 | 175.4 | -73.4 | 177.3 | 165 | 0 | 0 | 112 | L75 R82 S83 | L75-E79 HydrophobicContact CD1-CG 4.3Å; L75-E79 HydrophobicContact CG-CG 4.48Å; L75-E79 WeakPolarHBondContact O-CG 3.11Å; L75-E79 PolarHBondContact O-N 3.23Å; E79-R82 PolarHBondContact O-N 2.93Å; E79-S83 PolarHBondContact O-N 3.03Å |
| 80 | F | 97.9 | Very high | 97.3 | Very high | 31 Ų | 31 | 66.2 Ų | 66.2 | 14% | 0.136 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -57.6 | -52.4 | 173.7 | 167.6 | -102.5 | 0 | 0 | 0 | 111.6 | Y52 R58 F62 G76 V77 L78 R82 S83 V84 | Y52-F80 HydrophobicContact CD2-CB 4.21Å; Y52-F80 AromaticContact CD2-CD1 3.6Å; Y52-F80 HydrophobicContact CD2-CD1 3.6Å; Y52-F80 HydrophobicContact CD2-CE1 4.14Å; Y52-F80 AromaticContact CD2-CG 3.97Å; Y52-F80 HydrophobicContact CD2-CG 3.97Å; Y52-F80 HydrophobicContact CE2-CB 3.57Å; Y52-F80 AromaticContact CE2-CD1 3.69Å; Y52-F80 HydrophobicContact CE2-CD1 3.69Å; Y52-F80 HydrophobicContact CE2-CD2 4.17Å; Y52-F80 HydrophobicContact CE2-CE1 4.4Å; Y52-F80 AromaticContact CE2-CG 3.53Å; Y52-F80 HydrophobicContact CE2-CG 3.53Å; R58-F80 HydrophobicContact CG-CE1 3.73Å; R58-F80 HydrophobicContact CG-CE2 4.3Å; R58-F80 HydrophobicContact CG-CZ 3.56Å; F62-F80 HydrophobicContact CE1-CE1 4.2Å; F62-F80 AromaticContact CE1-CZ 3.87Å; F62-F80 HydrophobicContact CE1-CZ 3.87Å; F62-F80 HydrophobicContact CZ-CZ 4.47Å; G76-F80 WeakPolarHBondContact O-CB 3.46Å; G76-F80 PolarHBondContact O-N 2.76Å; G76-F80 VanDerWaalsContact O-N 3.11Å; V77-F80 WeakPolarHBondContact O-CB 3.33Å; V77-F80 PolarHBondContact O-N 3.17Å; L78-F80 VanDerWaalsContact C-N 3.33Å; L78-F80 PolarHBondContact O-N 3.19Å; F80-R82 VanDerWaalsContact C-N 3.33Å; F80-R82 PolarHBondContact O-N 3.46Å; F80-S83 WeakPolarHBondContact O-CB 3.43Å; F80-S83 PolarHBondContact O-N 2.78Å; F80-S83 PolarHBondContact O-OG 3.03Å; F80-V84 HydrophobicContact CE1-CG2 4.35Å; F80-V84 HydrophobicContact CE2-CG2 4.45Å; F80-V84 HydrophobicContact CZ-CG2 4.23Å; F80-V84 WeakPolarHBondContact O-CG2 3.43Å; F80-V84 PolarHBondContact O-N 3.17Å |
| 81 | Y | 98.1 | Very high | 97.3 | Very high | 0 Ų | 0 | 70.4 Ų | 70.4 | 0% | 0 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -66.5 | -33.4 | -179 | -78.8 | -70.1 | 0 | 0 | 0 | 112.7 | A48 I51 F62 P63 L66 V77 L78 S83 V84 V87 | A48-Y81 HydrophobicContact CB-CD2 4.06Å; A48-Y81 HydrophobicContact CB-CE2 3.7Å; I51-Y81 WeakPolarHBondContact CG2-OH 3.5Å; F62-Y81 HydrophobicContact CD1-CE1 4.41Å; P63-Y81 HydrophobicContact CG-CE1 4.5Å; L66-Y81 HydrophobicContact CD2-CD2 4.02Å; L66-Y81 HydrophobicContact CD2-CG 3.93Å; V77-Y81 HydrophobicContact CG1-CD2 3.86Å; V77-Y81 HydrophobicContact CG1-CE2 3.77Å; V77-Y81 VanDerWaalsContact O-CD2 3.3Å; V77-Y81 WeakPolarHBondContact O-CD2 3.22Å; V77-Y81 PolarHBondContact O-N 2.83Å; L78-Y81 PolarHBondContact O-N 3.16Å; Y81-S83 PolarHBondContact O-N 3.28Å; Y81-V84 PolarHBondContact O-N 2.93Å; Y81-V84 VanDerWaalsContact O-N 3.13Å; Y81-V87 HydrophobicContact CD1-CG1 4.18Å; Y81-V87 HydrophobicContact CD1-CG2 4.21Å |
| 82 | R | 97.9 | Very high | 97.4 | Very high | 136 Ų | 136 | 65.4 Ų | 65.4 | 51% | 0.513 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -61.1 | -29.4 | 170.3 | -76.3 | 176.9 | 171.6 | 168.7 | -1.9 | 113 | L78 E79 F80 V84 V89 | L78-R82 WeakPolarHBondContact O-CB 3.36Å; L78-R82 WeakPolarHBondContact O-CG 3.39Å; L78-R82 PolarHBondContact O-N 3.13Å; E79-R82 PolarHBondContact O-N 2.93Å; F80-R82 VanDerWaalsContact C-N 3.33Å; F80-R82 PolarHBondContact O-N 3.46Å; R82-V84 VanDerWaalsContact C-N 3.33Å; R82-V89 HydrophobicContact CG-CB 4.17Å; R82-V89 HydrophobicContact CG-CG1 4.09Å; R82-V89 HydrophobicContact CG-CG2 3.93Å |
| 83 | S | 97.4 | Very high | 97.3 | Very high | 90 Ų | 90 | 67.1 Ų | 67.1 | 63% | 0.629 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -78.9 | -13.8 | 176.8 | 79.9 | 0 | 0 | 0 | 0 | 113.9 | E79 F80 Y81 K85 | E79-S83 PolarHBondContact O-N 3.03Å; F80-S83 WeakPolarHBondContact O-CB 3.43Å; F80-S83 PolarHBondContact O-N 2.78Å; F80-S83 PolarHBondContact O-OG 3.03Å; Y81-S83 PolarHBondContact O-N 3.28Å; S83-K85 PolarHBondContact O-N 3.49Å |
| 84 | V | 96.9 | Very high | 96.9 | Very high | 29 Ų | 29 | 69.6 Ų | 69.6 | 18% | 0.176 | 37% | 0.368 | C | S | . | . | trans | -86 | 111.4 | -178.9 | -178.3 | 0 | 0 | 0 | 0 | 110.1 | F62 F80 Y81 R82 N86 V87 | F62-V84 HydrophobicContact CD1-CB 4.45Å; F62-V84 HydrophobicContact CD1-CG1 3.72Å; F62-V84 HydrophobicContact CD1-CG2 4.07Å; F62-V84 HydrophobicContact CE1-CG1 4.01Å; F62-V84 HydrophobicContact CE1-CG2 3.77Å; F62-V84 HydrophobicContact CG-CG1 4.35Å; F80-V84 HydrophobicContact CE1-CG2 4.35Å; F80-V84 HydrophobicContact CE2-CG2 4.45Å; F80-V84 HydrophobicContact CZ-CG2 4.23Å; F80-V84 WeakPolarHBondContact O-CG2 3.43Å; F80-V84 PolarHBondContact O-N 3.17Å; Y81-V84 PolarHBondContact O-N 2.93Å; Y81-V84 VanDerWaalsContact O-N 3.13Å; R82-V84 VanDerWaalsContact C-N 3.33Å; V84-N86 PolarHBondContact O-N 3.2Å; V84-V87 HydrophobicContact CB-CB 4.19Å; V84-V87 HydrophobicContact CB-CG2 3.82Å; V84-V87 HydrophobicContact CG1-CB 4.29Å; V84-V87 HydrophobicContact CG1-CG2 3.54Å; V84-V87 PolarHBondContact O-N 2.89Å; V84-V87 VanDerWaalsContact O-N 3.08Å | ||
| 85 | K | 95 | Very high | 96.5 | Very high | 201 Ų | 201 | 71.2 Ų | 71.2 | 87% | 0.874 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.6 | -34.8 | -173.7 | -173.1 | 177.3 | 179.6 | -178.5 | 0 | 115.6 | S83 | S83-K85 PolarHBondContact O-N 3.49Š|
| 86 | N | 94.1 | Very high | 96.2 | Very high | 132 Ų | 132 | 74.1 Ų | 74.1 | 71% | 0.706 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.6 | 7.8 | -173.6 | -63.4 | -22.2 | 0 | 0 | 0 | 113.6 | V84 | V84-N86 PolarHBondContact O-N 3.2Š|
| 87 | V | 98.2 | Very high | 95.9 | Very high | 12 Ų | 12 | 74 Ų | 74 | 7% | 0.073 | 38% | 0.375 | C | S | . | . | trans | -103.7 | 119.5 | 175 | 177.3 | 0 | 0 | 0 | 0 | 108 | F62 P63 L66 Y81 V84 V89 | F62-V87 HydrophobicContact CB-CG2 4.1Å; F62-V87 HydrophobicContact CD1-CG2 4.28Å; P63-V87 HydrophobicContact CG-CG1 4.13Å; P63-V87 HydrophobicContact CG-CG2 4.5Å; P63-V87 WeakPolarHBondContact O-CG2 3.45Å; L66-V87 HydrophobicContact CB-CG1 4.17Å; Y81-V87 HydrophobicContact CD1-CG1 4.18Å; Y81-V87 HydrophobicContact CD1-CG2 4.21Å; V84-V87 HydrophobicContact CB-CB 4.19Å; V84-V87 HydrophobicContact CB-CG2 3.82Å; V84-V87 HydrophobicContact CG1-CB 4.29Å; V84-V87 HydrophobicContact CG1-CG2 3.54Å; V84-V87 PolarHBondContact O-N 2.89Å; V84-V87 VanDerWaalsContact O-N 3.08Å; V87-V89 HydrophobicContact CG1-CG2 4.2Å; V87-V89 PolarHBondContact O-N 2.87Å | ||
| 88 | S | 98.3 | Very high | 95.6 | Very high | 60 Ų | 60 | 76.4 Ų | 76.4 | 42% | 0.42 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 108.3 | 173.4 | -62.9 | 0 | 0 | 0 | 0 | 109.7 | H64 F65 L66 | H64-S88 WeakPolarHBondContact O-CB 3.25Å; H64-S88 PolarHBondContact O-N 3.24Å; F65-S88 CarbonylContact C-O 3.55Å; F65-S88 WeakPolarHBondContact CA-O 3.46Å; L66-S88 PolarHBondContact N-O 3.24Å |
| 89 | V | 98.5 | Very high | 95.5 | Very high | 41 Ų | 41 | 77 Ų | 77 | 25% | 0.248 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 114.1 | 176 | -175 | 0 | 0 | 0 | 0 | 108.9 | L66 F70 L78 R82 V87 | L66-V89 HydrophobicContact CB-CG2 4.31Å; L66-V89 HydrophobicContact CD2-CG1 4.35Å; L66-V89 HydrophobicContact CD2-CG2 4.28Å; L66-V89 CarbonylContact O-C 3.58Å; L66-V89 WeakPolarHBondContact O-CA 3.47Å; F70-V89 HydrophobicContact CE2-CG1 3.9Å; F70-V89 HydrophobicContact CZ-CG1 3.61Å; L78-V89 HydrophobicContact CD1-CG1 3.77Å; R82-V89 HydrophobicContact CG-CB 4.17Å; R82-V89 HydrophobicContact CG-CG1 4.09Å; R82-V89 HydrophobicContact CG-CG2 3.93Å; V87-V89 HydrophobicContact CG1-CG2 4.2Å; V87-V89 PolarHBondContact O-N 2.87Å |
| 90 | I | 98.2 | Very high | 95.4 | Very high | 58 Ų | 58 | 72.1 Ų | 72.1 | 30% | 0.297 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 110.1 | -174.9 | -55.6 | 174.2 | 0 | 0 | 0 | 109 | F65 L66 T67 G68 F70 T92 I106 | F65-I90 HydrophobicContact CD1-CD1 3.76Å; F65-I90 HydrophobicContact CE1-CD1 4.17Å; L66-I90 PolarHBondContact O-N 2.95Å; T67-I90 WeakPolarHBondContact CA-O 3.44Å; T67-I90 HydrophobicContact CG2-CB 4.29Å; G68-I90 PolarHBondContact N-O 3.06Å; F70-I90 WeakPolarHBondContact CZ-O 2.98Å; I90-T92 HydrophobicContact CG2-CG2 4.24Å; I90-I106 HydrophobicContact CB-CD1 4.26Å; I90-I106 HydrophobicContact CD1-CD1 4.25Å; I90-I106 HydrophobicContact CD1-CG2 3.86Å; I90-I106 HydrophobicContact CG2-CD1 3.9Å |
| 91 | E | 97.7 | Very high | 95.4 | Very high | 114 Ų | 114 | 70.7 Ų | 70.7 | 53% | 0.533 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 131.8 | 173.4 | -164.2 | 171.3 | 163.8 | 0 | 0 | 110 | G68 F70 P93 | G68-E91 WeakPolarHBondContact O-CA 3.36Å; F70-E91 HydrophobicContact CD2-CB 4.1Å; F70-E91 HydrophobicContact CD2-CG 3.85Å; F70-E91 VanDerWaalsContact CE2-CA 3.49Å; F70-E91 HydrophobicContact CE2-CB 3.65Å; F70-E91 HydrophobicContact CE2-CG 3.94Å; E91-P93 WeakPolarHBondContact O-CD 3.24Å |
| 92 | T | 96.5 | Very high | 95.4 | Very high | 16 Ų | 16 | 71.3 Ų | 71.3 | 10% | 0.098 | 37% | 0.367 | C | S | . | . | trans | -125.1 | 75.8 | -179 | 57.9 | 0 | 0 | 0 | 0 | 109.8 | G68 I90 D94 K102 I106 | G68-T92 VanDerWaalsContact CA-OG1 3.24Å; G68-T92 WeakPolarHBondContact CA-OG1 3.48Å; G68-T92 PolarHBondContact N-OG1 2.8Å; G68-T92 PolarHBondContact O-N 3.41Å; G68-T92 PolarHBondContact O-OG1 2.78Å; I90-T92 HydrophobicContact CG2-CG2 4.24Å; T92-D94 PolarHBondContact O-N 3.27Å; T92-K102 HydrophobicContact CG2-CB 4.18Å; T92-K102 PolarHBondContact O-NZ 2.89Å; T92-K102 WeakPolarHBondContact OG1-CE 3.24Å; T92-I106 HydrophobicContact CG2-CD1 3.85Å | ||
| 93 | P | 92.5 | Very high | 95.4 | Very high | 88 Ų | 88 | 64.8 Ų | 64.8 | 57% | 0.571 | 34% | 0.342 | S | S | * | . | trans | -73.2 | -9.3 | -169.8 | 30 | -36.6 | 0 | 0 | 0 | 114.4 | E91 Q95 | E91-P93 WeakPolarHBondContact O-CD 3.24Å; P93-Q95 PolarHBondContact O-N 3.16Å; P93-Q95 PolarHBondContact O-NE2 3.49Å | ||
| 94 | D | 90.8 | Very high | 95.4 | Very high | 66 Ų | 66 | 60.5 Ų | 60.5 | 35% | 0.353 | 31% | 0.312 | S | S | . | . | trans | -56 | 126.8 | 178.1 | 177 | 22.7 | 0 | 0 | 0 | 111.6 | T92 E96 K102 | T92-D94 PolarHBondContact O-N 3.27Å; D94-E96 WeakPolarHBondContact OD1-CB 3.45Å; D94-E96 PolarHBondContact OD1-N 2.82Å; D94-K102 HydrophobicContact CB-CD 4.02Å; D94-K102 PolarHBondContact O-NZ 2.81Å | ||
| 95 | Q | 89.3 | Confident | 95.5 | Very high | 145 Ų | 145 | 63.8 Ų | 63.8 | 68% | 0.678 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -100.9 | -3 | -177.1 | -63.3 | -63.4 | -48.6 | 0 | 0 | 112.8 | D69 P93 | D69-Q95 PolarHBondContact OD2-NE2 2.84Å; D69-Q95 VanDerWaalsContact OD2-NE2 3.17Å; P93-Q95 PolarHBondContact O-N 3.16Å; P93-Q95 PolarHBondContact O-NE2 3.49Å |
| 96 | E | 90 | Very high | 95.6 | Very high | 175 Ų | 175 | 55.6 Ų | 55.6 | 82% | 0.818 | 29% | 0.287 | S | S | * | . | S | Bend | trans | -80.7 | -23.9 | 176.6 | -61.1 | -168.6 | 164.5 | 0 | 0 | 112.5 | D94 | D94-E96 WeakPolarHBondContact OD1-CB 3.45Å; D94-E96 PolarHBondContact OD1-N 2.82Å |
| 97 | E | 91.5 | Very high | 95.8 | Very high | 36 Ų | 36 | 49.3 Ų | 49.3 | 17% | 0.168 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -118 | 145.2 | 177.8 | -67.2 | -166.3 | 147.6 | 0 | 0 | 112.2 | T101 K102 R105 | E97-T101 HydrophobicContact CB-CG2 4.32Å; E97-T101 HydrophobicContact CG-CG2 4.27Å; E97-K102 HydrophobicContact CB-CD 4.18Å; E97-K102 HydrophobicContact CB-CG 3.82Å; E97-K102 WeakPolarHBondContact O-CE 3.22Å; E97-K102 PolarHBondContact O-NZ 2.91Å; E97-R105 IonicContact OE1-CZ 2.9Å; E97-R105 IonicContact OE1-NE 3.5Å; E97-R105 PolarHBondContact OE1-NE 3.38Å; E97-R105 IonicContact OE1-NH2 3.5Å; E97-R105 PolarHBondContact OE1-NH2 3.49Å; E97-R105 IonicContact OE2-CZ 3.56Å; E97-R105 IonicContact OE2-NE 3.88Å; E97-R105 PolarHBondContact OE2-NE 3.19Å; E97-R105 IonicContact OE2-NH2 2.72Å |
| 98 | T | 93 | Very high | 95.8 | Very high | 51 Ų | 51 | 49.1 Ų | 49.1 | 31% | 0.313 | 25% | 0.252 | S | S | . | . | trans | -64.2 | 150.1 | 172 | 61 | 0 | 0 | 0 | 0 | 110.3 | F100 T101 K102 T140 | T98-F100 PolarHBondContact O-N 2.92Å; T98-F100 VanDerWaalsContact O-N 3.13Å; T98-T101 WeakPolarHBondContact O-CB 3.5Å; T98-T101 PolarHBondContact O-N 3.38Å; T98-T101 PolarHBondContact OG1-N 2.76Å; T98-T101 PolarHBondContact OG1-OG1 2.82Å; T98-K102 PolarHBondContact O-N 2.82Å; T98-T140 PolarHBondContact OG1-OG1 3.45Å | ||
| 99 | D | 94.7 | Very high | 95.8 | Very high | 25 Ų | 25 | 48.8 Ų | 48.8 | 13% | 0.134 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -52.9 | -34.2 | 172.2 | -83.7 | -3.2 | 0 | 0 | 0 | 112.9 | V44 G68 D69 K102 C103 | V44-D99 HydrophobicContact CG1-CB 3.59Å; G68-D99 VanDerWaalsContact CA-OD2 3.24Å; G68-D99 WeakPolarHBondContact CA-OD2 3.39Å; D69-D99 PolarHBondContact N-OD1 2.98Å; D69-D99 PolarHBondContact N-OD2 2.89Å; D99-K102 VanDerWaalsContact CA-CE 3.46Å; D99-K102 PolarHBondContact O-N 3.38Å; D99-K102 WeakPolarHBondContact OD1-CE 3.37Å; D99-K102 IonicContact OD1-NZ 3.25Å; D99-K102 PolarHBondContact OD1-NZ 3.19Å; D99-C103 VanDerWaalsContact O-CB 3.22Å; D99-C103 WeakPolarHBondContact O-CB 3.49Å; D99-C103 PolarHBondContact O-N 3.29Å |
| 100 | F | 97.5 | Very high | 95.8 | Very high | 8 Ų | 8 | 47 Ų | 47 | 4% | 0.035 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61.7 | -47.6 | 173 | 178.8 | -149 | 0 | 0 | 0 | 112.4 | I18 L20 T98 K102 C103 V104 A123 L137 T140 L152 L154 | I18-F100 HydrophobicContact CD1-CD2 4.47Å; I18-F100 HydrophobicContact CD1-CE2 4.06Å; I18-F100 HydrophobicContact CG2-CD2 4.24Å; I18-F100 HydrophobicContact CG2-CE2 4.42Å; L20-F100 HydrophobicContact CD1-CB 4.48Å; L20-F100 HydrophobicContact CD1-CD1 4.08Å; L20-F100 HydrophobicContact CD1-CD2 4.11Å; L20-F100 HydrophobicContact CD1-CE1 4.34Å; L20-F100 HydrophobicContact CD1-CE2 4.36Å; L20-F100 HydrophobicContact CD1-CG 3.96Å; L20-F100 HydrophobicContact CD1-CZ 4.47Å; L20-F100 HydrophobicContact CD2-CB 3.9Å; L20-F100 HydrophobicContact CD2-CD2 3.62Å; L20-F100 HydrophobicContact CD2-CE2 4.35Å; L20-F100 HydrophobicContact CD2-CG 3.85Å; L20-F100 HydrophobicContact CG-CD2 4.43Å; T98-F100 PolarHBondContact O-N 2.92Å; T98-F100 VanDerWaalsContact O-N 3.13Å; F100-K102 PolarHBondContact O-N 3.38Å; F100-C103 PolarHBondContact O-N 3.43Å; F100-V104 HydrophobicContact CD2-CG2 3.88Å; F100-V104 HydrophobicContact CE2-CG2 3.54Å; F100-V104 HydrophobicContact CZ-CG2 4.22Å; F100-V104 WeakPolarHBondContact O-CG2 3.11Å; F100-V104 PolarHBondContact O-N 2.76Å; F100-A123 HydrophobicContact CE1-CB 4.39Å; F100-A123 HydrophobicContact CE2-CB 3.48Å; F100-A123 VanDerWaalsContact CE2-CB 3.48Å; F100-A123 HydrophobicContact CZ-CB 3.4Å; F100-A123 VanDerWaalsContact CZ-CB 3.4Å; F100-L137 HydrophobicContact CD1-CD2 3.73Å; F100-L137 HydrophobicContact CE1-CD2 4.3Å; F100-L137 HydrophobicContact CG-CD2 4.43Å; F100-T140 HydrophobicContact CD1-CG2 3.38Å; F100-T140 WeakPolarHBondContact CD1-OG1 3.45Å; F100-T140 HydrophobicContact CD2-CG2 4.28Å; F100-T140 VanDerWaalsContact CE1-CB 3.46Å; F100-T140 HydrophobicContact CE1-CG2 3.42Å; F100-T140 VanDerWaalsContact CE1-CG2 3.42Å; F100-T140 HydrophobicContact CE2-CG2 4.32Å; F100-T140 HydrophobicContact CG-CG2 3.83Å; F100-T140 HydrophobicContact CZ-CG2 3.92Å; F100-L152 HydrophobicContact CZ-CD1 4.23Å; F100-L152 HydrophobicContact CZ-CD2 3.89Å; F100-L152 HydrophobicContact CZ-CG 4.44Å; F100-L154 HydrophobicContact CE1-CD2 3.69Å; F100-L154 HydrophobicContact CZ-CD2 3.77Å |
| 101 | T | 97.2 | Very high | 95.8 | Very high | 1 Ų | 1 | 44.8 Ų | 44.8 | 1% | 0.006 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61.8 | -45.1 | 178.2 | -56.6 | 0 | 0 | 0 | 0 | 111.1 | E97 T98 C103 V104 R105 T140 E143 | E97-T101 HydrophobicContact CB-CG2 4.32Å; E97-T101 HydrophobicContact CG-CG2 4.27Å; T98-T101 WeakPolarHBondContact O-CB 3.5Å; T98-T101 PolarHBondContact O-N 3.38Å; T98-T101 PolarHBondContact OG1-N 2.76Å; T98-T101 PolarHBondContact OG1-OG1 2.82Å; T101-C103 VanDerWaalsContact C-N 3.34Å; T101-C103 PolarHBondContact O-N 2.86Å; T101-V104 WeakPolarHBondContact O-CB 3.4Å; T101-V104 PolarHBondContact O-N 2.56Å; T101-R105 PolarHBondContact O-N 3.03Å; T101-T140 WeakPolarHBondContact OG1-CG2 3.27Å; T101-T140 PolarHBondContact OG1-OG1 2.93Å; T101-E143 HydrophobicContact CG2-CB 4.37Å |
| 102 | K | 97.3 | Very high | 95.7 | Very high | 13 Ų | 13 | 46.2 Ų | 46.2 | 6% | 0.057 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -61.4 | -42.7 | 177.9 | -63.3 | 174.7 | -56.4 | -172.3 | 0 | 110.9 | T92 D94 E97 T98 D99 F100 V104 R105 I106 | T92-K102 HydrophobicContact CG2-CB 4.18Å; T92-K102 PolarHBondContact O-NZ 2.89Å; T92-K102 WeakPolarHBondContact OG1-CE 3.24Å; D94-K102 HydrophobicContact CB-CD 4.02Å; D94-K102 PolarHBondContact O-NZ 2.81Å; E97-K102 HydrophobicContact CB-CD 4.18Å; E97-K102 HydrophobicContact CB-CG 3.82Å; E97-K102 WeakPolarHBondContact O-CE 3.22Å; E97-K102 PolarHBondContact O-NZ 2.91Å; T98-K102 PolarHBondContact O-N 2.82Å; D99-K102 VanDerWaalsContact CA-CE 3.46Å; D99-K102 PolarHBondContact O-N 3.38Å; D99-K102 WeakPolarHBondContact OD1-CE 3.37Å; D99-K102 IonicContact OD1-NZ 3.25Å; D99-K102 PolarHBondContact OD1-NZ 3.19Å; F100-K102 PolarHBondContact O-N 3.38Å; K102-V104 PolarHBondContact O-N 2.87Å; K102-R105 WeakPolarHBondContact O-CB 3.3Å; K102-R105 PolarHBondContact O-N 3.47Å; K102-I106 WeakPolarHBondContact O-CG1 3.46Å; K102-I106 PolarHBondContact O-N 3.25Å |
| 103 | C | 98.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62.9 | -40.7 | 174.7 | -175.6 | 0 | 0 | 0 | 0 | 112.8 | I18 A42 V44 T67 D99 F100 T101 R105 I106 I107 | I18-C103 HydrophobicContact CG2-CB 4.43Å; A42-C103 WeakPolarHBondContact CB-SG 3.42Å; V44-C103 HydrophobicContact CG2-CB 3.87Å; T67-C103 WeakPolarHBondContact OG1-CB 3.32Å; D99-C103 VanDerWaalsContact O-CB 3.22Å; D99-C103 WeakPolarHBondContact O-CB 3.49Å; D99-C103 PolarHBondContact O-N 3.29Å; F100-C103 PolarHBondContact O-N 3.43Å; T101-C103 VanDerWaalsContact C-N 3.34Å; T101-C103 PolarHBondContact O-N 2.86Å; C103-R105 VanDerWaalsContact C-N 3.28Å; C103-R105 PolarHBondContact O-N 3.27Å; C103-I106 PolarHBondContact O-N 3.2Å; C103-I107 WeakPolarHBondContact O-CG1 3.4Å; C103-I107 PolarHBondContact O-N 3.07Å |
| 104 | V | 98.4 | Very high | 96 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -58.3 | -42.2 | 176.1 | 167.8 | 0 | 0 | 0 | 0 | 110.7 | I18 F100 T101 K102 I107 I108 L121 T140 A144 L147 L152 | I18-V104 HydrophobicContact CD1-CG2 3.65Å; F100-V104 HydrophobicContact CD2-CG2 3.88Å; F100-V104 HydrophobicContact CE2-CG2 3.54Å; F100-V104 HydrophobicContact CZ-CG2 4.22Å; F100-V104 WeakPolarHBondContact O-CG2 3.11Å; F100-V104 PolarHBondContact O-N 2.76Å; T101-V104 WeakPolarHBondContact O-CB 3.4Å; T101-V104 PolarHBondContact O-N 2.56Å; K102-V104 PolarHBondContact O-N 2.87Å; V104-I107 PolarHBondContact O-N 3.18Å; V104-I108 HydrophobicContact CG1-CD1 3.58Å; V104-I108 HydrophobicContact CG1-CG1 4.4Å; V104-I108 WeakPolarHBondContact O-CD1 3.35Å; V104-I108 VanDerWaalsContact O-CG1 3.24Å; V104-I108 WeakPolarHBondContact O-CG1 3.33Å; V104-I108 PolarHBondContact O-N 3.48Å; V104-L121 HydrophobicContact CG1-CD1 4.44Å; V104-T140 HydrophobicContact CG2-CG2 4.27Å; V104-A144 HydrophobicContact CG1-CB 4.38Å; V104-L147 HydrophobicContact CG1-CD1 4.2Å; V104-L152 HydrophobicContact CG2-CD2 4.11Å |
| 105 | R | 97.8 | Very high | 96.2 | Very high | 98 Ų | 98 | 56.5 Ų | 56.5 | 37% | 0.37 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -60.2 | -47.3 | 175.4 | -65.8 | 175.1 | -178.1 | -75.7 | -3.1 | 111.9 | E97 T101 K102 C103 I107 I108 S109 L147 | E97-R105 IonicContact OE1-CZ 2.9Å; E97-R105 IonicContact OE1-NE 3.5Å; E97-R105 PolarHBondContact OE1-NE 3.38Å; E97-R105 IonicContact OE1-NH2 3.5Å; E97-R105 PolarHBondContact OE1-NH2 3.49Å; E97-R105 IonicContact OE2-CZ 3.56Å; E97-R105 IonicContact OE2-NE 3.88Å; E97-R105 PolarHBondContact OE2-NE 3.19Å; E97-R105 IonicContact OE2-NH2 2.72Å; T101-R105 PolarHBondContact O-N 3.03Å; K102-R105 WeakPolarHBondContact O-CB 3.3Å; K102-R105 PolarHBondContact O-N 3.47Å; C103-R105 VanDerWaalsContact C-N 3.28Å; C103-R105 PolarHBondContact O-N 3.27Å; R105-I107 PolarHBondContact O-N 3.47Å; R105-I108 PolarHBondContact O-N 3.19Å; R105-S109 PolarHBondContact O-N 3.31Å; R105-S109 PolarHBondContact O-OG 3.41Å; R105-L147 HydrophobicContact CG-CD1 3.77Å |
| 106 | I | 98.1 | Very high | 96.5 | Very high | 28 Ų | 28 | 54.7 Ų | 54.7 | 14% | 0.144 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -58.9 | -47.2 | 178.7 | -68.5 | 167.3 | 0 | 0 | 0 | 110.8 | F65 T67 I90 T92 K102 C103 I108 S109 S110 | F65-I106 HydrophobicContact CD1-CG2 3.84Å; F65-I106 HydrophobicContact CD2-CG2 4.39Å; F65-I106 HydrophobicContact CE1-CG2 4.12Å; F65-I106 HydrophobicContact CG-CG2 4Å; T67-I106 HydrophobicContact CG2-CD1 3.59Å; T67-I106 HydrophobicContact CG2-CG2 4.35Å; I90-I106 HydrophobicContact CB-CD1 4.26Å; I90-I106 HydrophobicContact CD1-CD1 4.25Å; I90-I106 HydrophobicContact CD1-CG2 3.86Å; I90-I106 HydrophobicContact CG2-CD1 3.9Å; T92-I106 HydrophobicContact CG2-CD1 3.85Å; K102-I106 WeakPolarHBondContact O-CG1 3.46Å; K102-I106 PolarHBondContact O-N 3.25Å; C103-I106 PolarHBondContact O-N 3.2Å; I106-I108 PolarHBondContact O-N 3.45Å; I106-S109 PolarHBondContact O-N 2.86Å; I106-S110 WeakPolarHBondContact O-CB 3.4Å; I106-S110 PolarHBondContact O-N 2.8Å |
| 107 | I | 98.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61.3 | -46.1 | 178.9 | -70.4 | -74 | 0 | 0 | 0 | 111.2 | A16 I18 P40 A42 F65 C103 V104 R105 S109 S110 I111 L121 | A16-I107 HydrophobicContact CB-CG2 3.92Å; I18-I107 HydrophobicContact CD1-CG1 4.11Å; I18-I107 HydrophobicContact CG1-CG1 3.97Å; P40-I107 HydrophobicContact CB-CD1 3.96Å; P40-I107 HydrophobicContact CG-CD1 3.56Å; P40-I107 HydrophobicContact CG-CG2 4.02Å; A42-I107 HydrophobicContact CB-CD1 3.84Å; A42-I107 HydrophobicContact CB-CG1 4.28Å; F65-I107 HydrophobicContact CD2-CD1 4Å; F65-I107 HydrophobicContact CE2-CD1 4.46Å; C103-I107 WeakPolarHBondContact O-CG1 3.4Å; C103-I107 PolarHBondContact O-N 3.07Å; V104-I107 PolarHBondContact O-N 3.18Å; R105-I107 PolarHBondContact O-N 3.47Å; I107-S109 VanDerWaalsContact C-N 3.35Å; I107-S109 PolarHBondContact O-N 3.3Å; I107-S110 PolarHBondContact O-N 2.99Å; I107-I111 HydrophobicContact CG2-CD1 3.8Å; I107-I111 VanDerWaalsContact O-CG1 3.26Å; I107-I111 WeakPolarHBondContact O-CG1 3.5Å; I107-I111 PolarHBondContact O-N 2.89Å; I107-L121 HydrophobicContact CG2-CD2 3.91Å |
| 108 | I | 98 | Very high | 97.1 | Very high | 8 Ų | 8 | 53 Ų | 53 | 4% | 0.041 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -61.4 | -43.9 | 178.3 | -69.4 | 161.3 | 0 | 0 | 0 | 111.1 | V104 R105 I106 I111 K112 L121 L147 T148 | V104-I108 HydrophobicContact CG1-CD1 3.58Å; V104-I108 HydrophobicContact CG1-CG1 4.4Å; V104-I108 WeakPolarHBondContact O-CD1 3.35Å; V104-I108 VanDerWaalsContact O-CG1 3.24Å; V104-I108 WeakPolarHBondContact O-CG1 3.33Å; V104-I108 PolarHBondContact O-N 3.48Å; R105-I108 PolarHBondContact O-N 3.19Å; I106-I108 PolarHBondContact O-N 3.45Å; I108-I111 PolarHBondContact O-N 2.68Å; I108-K112 HydrophobicContact CG2-CD 4.16Å; I108-K112 WeakPolarHBondContact O-CG 3.42Å; I108-K112 PolarHBondContact O-N 3.28Å; I108-K112 VanDerWaalsContact O-N 3.13Å; I108-L121 HydrophobicContact CG1-CD1 4.17Å; I108-L147 HydrophobicContact CD1-CB 3.73Å; I108-T148 HydrophobicContact CD1-CG2 3.5Å; I108-T148 HydrophobicContact CG1-CG2 4.04Å |
| 109 | S | 97.7 | Very high | 97.3 | Very high | 53 Ų | 53 | 53.3 Ų | 53.3 | 37% | 0.371 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -61.8 | -46.5 | 176.7 | -64.3 | 0 | 0 | 0 | 0 | 111.2 | R105 I106 I107 I111 K112 E113 | R105-S109 PolarHBondContact O-N 3.31Å; R105-S109 PolarHBondContact O-OG 3.41Å; I106-S109 PolarHBondContact O-N 2.86Å; I107-S109 VanDerWaalsContact C-N 3.35Å; I107-S109 PolarHBondContact O-N 3.3Å; S109-I111 VanDerWaalsContact C-N 3.34Å; S109-I111 PolarHBondContact O-N 2.94Å; S109-K112 PolarHBondContact O-N 3.48Å; S109-K112 VanDerWaalsContact O-N 3.16Å; S109-E113 WeakPolarHBondContact O-CB 3.36Å; S109-E113 VanDerWaalsContact O-CG 3.3Å; S109-E113 WeakPolarHBondContact O-CG 3.21Å; S109-E113 PolarHBondContact O-N 3.08Å |
| 110 | S | 97.9 | Very high | 97.4 | Very high | 4 Ų | 4 | 52.5 Ų | 52.5 | 3% | 0.028 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -57.6 | -45 | 176.8 | 172.8 | 0 | 0 | 0 | 0 | 112.5 | F65 I106 I107 K112 E113 N114 | F65-S110 WeakPolarHBondContact CE2-OG 3.49Å; F65-S110 VanDerWaalsContact CZ-CB 3.48Å; F65-S110 WeakPolarHBondContact CZ-OG 3.35Å; I106-S110 WeakPolarHBondContact O-CB 3.4Å; I106-S110 PolarHBondContact O-N 2.8Å; I107-S110 PolarHBondContact O-N 2.99Å; S110-K112 VanDerWaalsContact C-N 3.33Å; S110-K112 PolarHBondContact O-N 2.89Å; S110-E113 PolarHBondContact O-N 3.17Å; S110-N114 WeakPolarHBondContact O-CB 3.46Å; S110-N114 PolarHBondContact O-N 3.34Å; S110-N114 PolarHBondContact O-ND2 2.82Å |
| 111 | I | 98.1 | Very high | 97.5 | Very high | 11 Ų | 11 | 52.1 Ų | 52.1 | 6% | 0.056 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -58.9 | -46 | 177.9 | -69.1 | 164.3 | 0 | 0 | 0 | 110.6 | A16 P40 I107 I108 S109 N115 K116 V118 L121 I150 | A16-I111 HydrophobicContact CB-CD1 4.18Å; P40-I111 HydrophobicContact CG-CG1 4.09Å; I107-I111 HydrophobicContact CG2-CD1 3.8Å; I107-I111 VanDerWaalsContact O-CG1 3.26Å; I107-I111 WeakPolarHBondContact O-CG1 3.5Å; I107-I111 PolarHBondContact O-N 2.89Å; I108-I111 PolarHBondContact O-N 2.68Å; S109-I111 VanDerWaalsContact C-N 3.34Å; S109-I111 PolarHBondContact O-N 2.94Å; I111-N115 PolarHBondContact O-N 2.78Å; I111-K116 VanDerWaalsContact CG2-O 3.27Å; I111-K116 WeakPolarHBondContact CG2-O 3.35Å; I111-K116 PolarHBondContact O-N 3.13Å; I111-V118 HydrophobicContact CD1-CB 4.01Å; I111-V118 HydrophobicContact CD1-CG1 4.23Å; I111-V118 HydrophobicContact CD1-CG2 3.77Å; I111-V118 HydrophobicContact CG1-CG2 3.84Å; I111-V118 HydrophobicContact CG2-CB 4.45Å; I111-V118 HydrophobicContact CG2-CG2 4.16Å; I111-L121 HydrophobicContact CD1-CD2 3.78Å; I111-I150 HydrophobicContact CD1-CD1 4.29Å; I111-I150 HydrophobicContact CG2-CD1 4.47Å |
| 112 | K | 96.9 | Very high | 97.6 | Very high | 144 Ų | 144 | 52 Ų | 52 | 63% | 0.626 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -65 | -49.9 | 179.3 | -71.2 | 173.3 | -178.7 | 173.6 | 0 | 111.7 | I108 S109 S110 N114 N115 | I108-K112 HydrophobicContact CG2-CD 4.16Å; I108-K112 WeakPolarHBondContact O-CG 3.42Å; I108-K112 PolarHBondContact O-N 3.28Å; I108-K112 VanDerWaalsContact O-N 3.13Å; S109-K112 PolarHBondContact O-N 3.48Å; S109-K112 VanDerWaalsContact O-N 3.16Å; S110-K112 VanDerWaalsContact C-N 3.33Å; S110-K112 PolarHBondContact O-N 2.89Å; K112-N114 VanDerWaalsContact C-N 3.31Å; K112-N114 PolarHBondContact O-N 2.85Å; K112-N115 PolarHBondContact O-N 2.76Å; K112-N115 VanDerWaalsContact O-N 3.13Å |
| 113 | E | 97.2 | Very high | 97.6 | Very high | 156 Ų | 156 | 51.4 Ų | 51.4 | 73% | 0.729 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -62.1 | -37.3 | -177.9 | -73 | 167.6 | -169.8 | 0 | 0 | 112.6 | S109 S110 N115 | S109-E113 WeakPolarHBondContact O-CB 3.36Å; S109-E113 VanDerWaalsContact O-CG 3.3Å; S109-E113 WeakPolarHBondContact O-CG 3.21Å; S109-E113 PolarHBondContact O-N 3.08Å; S110-E113 PolarHBondContact O-N 3.17Å; E113-N115 VanDerWaalsContact C-N 3.3Å |
| 114 | N | 97.1 | Very high | 97.6 | Very high | 79 Ų | 79 | 51.4 Ų | 51.4 | 42% | 0.422 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | 2.8 | 179.9 | -68.6 | -87.8 | 0 | 0 | 0 | 113.1 | S110 K112 K116 | S110-N114 WeakPolarHBondContact O-CB 3.46Å; S110-N114 PolarHBondContact O-N 3.34Å; S110-N114 PolarHBondContact O-ND2 2.82Å; K112-N114 VanDerWaalsContact C-N 3.31Å; K112-N114 PolarHBondContact O-N 2.85Å; N114-K116 HydrophobicContact CB-CG 3.79Å; N114-K116 PolarHBondContact O-N 3.31Å |
| 115 | N | 96.1 | Very high | 97.6 | Very high | 151 Ų | 151 | 52.1 Ų | 52.1 | 81% | 0.807 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.6 | 42.3 | -176 | -166.2 | 29.2 | 0 | 0 | 0 | 112.8 | I111 K112 E113 | I111-N115 PolarHBondContact O-N 2.78Å; K112-N115 PolarHBondContact O-N 2.76Å; K112-N115 VanDerWaalsContact O-N 3.13Å; E113-N115 VanDerWaalsContact C-N 3.3Å |
| 116 | K | 95.6 | Very high | 97.5 | Very high | 108 Ų | 108 | 48.5 Ų | 48.5 | 47% | 0.47 | 24% | 0.239 | S | C | . | . | trans | -92.2 | 143.2 | -178.1 | -68.8 | -77.5 | -172.6 | 175.9 | 0 | 109.9 | Y39 I111 N114 | Y39-K116 HydrophobicContact CD1-CB 4.31Å; Y39-K116 HydrophobicContact CD1-CD 4.26Å; Y39-K116 HydrophobicContact CD1-CG 3.98Å; Y39-K116 HydrophobicContact CE1-CB 4.16Å; Y39-K116 HydrophobicContact CE1-CD 4.11Å; Y39-K116 HydrophobicContact CE1-CG 3.54Å; I111-K116 VanDerWaalsContact CG2-O 3.27Å; I111-K116 WeakPolarHBondContact CG2-O 3.35Å; I111-K116 PolarHBondContact O-N 3.13Å; N114-K116 HydrophobicContact CB-CG 3.79Å; N114-K116 PolarHBondContact O-N 3.31Å | ||
| 117 | K | 95.6 | Very high | 97.1 | Very high | 157 Ų | 157 | 49.8 Ų | 49.8 | 68% | 0.683 | 25% | 0.25 | S | S | * | . | trans | -92.1 | 122.9 | 171.2 | -67.3 | -173.1 | 177.9 | -177.4 | 0 | 108.9 | R14 | R14-K117 WeakPolarHBondContact CD-O 3.41Š| ||
| 118 | V | 97.6 | Very high | 96.7 | Very high | 17 Ų | 17 | 51.6 Ų | 51.6 | 10% | 0.103 | 27% | 0.269 | C | S | . | . | trans | -127 | 128.8 | 174.9 | 174 | 0 | 0 | 0 | 0 | 107.5 | A16 Y39 I111 V120 L121 I150 | A16-V118 HydrophobicContact CB-CG1 3.98Å; Y39-V118 WeakPolarHBondContact O-CG2 3.41Å; I111-V118 HydrophobicContact CD1-CB 4.01Å; I111-V118 HydrophobicContact CD1-CG1 4.23Å; I111-V118 HydrophobicContact CD1-CG2 3.77Å; I111-V118 HydrophobicContact CG1-CG2 3.84Å; I111-V118 HydrophobicContact CG2-CB 4.45Å; I111-V118 HydrophobicContact CG2-CG2 4.16Å; V118-V120 WeakPolarHBondContact CG1-O 3.3Å; V118-L121 HydrophobicContact CG1-CD2 4.11Å; V118-I150 HydrophobicContact CB-CD1 4.45Å; V118-I150 HydrophobicContact CG1-CG2 4.36Å | ||
| 119 | D | 97.2 | Very high | 96.3 | Very high | 58 Ų | 58 | 54.2 Ų | 54.2 | 31% | 0.31 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -85.9 | -28.9 | -179.1 | -60 | -54.4 | 0 | 0 | 0 | 111.6 | I13 R14 P151 | I13-D119 HydrophobicContact CD1-CB 3.69Å; I13-D119 HydrophobicContact CG1-CB 4.23Å; R14-D119 VanDerWaalsContact CB-OD2 3.28Å; R14-D119 WeakPolarHBondContact CB-OD2 3.47Å; R14-D119 IonicContact CZ-OD1 3.52Å; R14-D119 IonicContact CZ-OD2 3.5Å; R14-D119 PolarHBondContact N-OD2 3.27Å; R14-D119 VanDerWaalsContact N-OD2 3.08Å; R14-D119 IonicContact NE-OD1 3.55Å; R14-D119 IonicContact NE-OD2 2.81Å; R14-D119 PolarHBondContact NE-OD2 3.23Å; R14-D119 IonicContact NH2-OD1 3.46Å; R14-D119 PolarHBondContact NH2-OD1 2.81Å; R14-D119 IonicContact NH2-OD2 3.51Å; R14-D119 PolarHBondContact NH2-OD2 2.81Å; R14-D119 WeakPolarHBondContact O-CB 3.44Å; R14-D119 PolarHBondContact O-N 2.68Å; D119-P151 WeakPolarHBondContact O-CD 2.86Å |
| 120 | V | 98.2 | Very high | 96.1 | Very high | 8 Ų | 8 | 58.8 Ų | 58.8 | 5% | 0.048 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 139.3 | -173.7 | 62 | 0 | 0 | 0 | 0 | 111.8 | I8 I13 R14 K15 A16 V118 V122 L153 | I8-V120 HydrophobicContact CG2-CG1 3.98Å; I8-V120 HydrophobicContact CG2-CG2 4.15Å; I13-V120 HydrophobicContact CG1-CG1 4Å; R14-V120 PolarHBondContact O-N 3.36Å; K15-V120 WeakPolarHBondContact CA-O 3.29Å; K15-V120 HydrophobicContact CB-CG1 3.73Å; A16-V120 PolarHBondContact N-O 3.48Å; V118-V120 WeakPolarHBondContact CG1-O 3.3Å; V120-V122 HydrophobicContact CG1-CG2 4.31Å; V120-V122 HydrophobicContact CG2-CG2 4.17Å; V120-L153 HydrophobicContact CG2-CD1 3.68Å; V120-L153 HydrophobicContact CG2-CG 3.69Å |
| 121 | L | 98.7 | Very high | 96 | Very high | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 130 | 164.3 | -52.5 | -175 | 0 | 0 | 0 | 108.3 | A16 V104 I107 I108 I111 V118 T148 I150 P151 L152 L153 | A16-L121 HydrophobicContact CB-CD2 3.72Å; V104-L121 HydrophobicContact CG1-CD1 4.44Å; I107-L121 HydrophobicContact CG2-CD2 3.91Å; I108-L121 HydrophobicContact CG1-CD1 4.17Å; I111-L121 HydrophobicContact CD1-CD2 3.78Å; V118-L121 HydrophobicContact CG1-CD2 4.11Å; L121-T148 HydrophobicContact CD1-CG2 4.18Å; L121-I150 HydrophobicContact CD2-CG2 4.09Å; L121-I150 HydrophobicContact CG-CB 4.27Å; L121-I150 HydrophobicContact CG-CG2 3.79Å; L121-P151 PolarHBondContact N-O 2.93Å; L121-L152 HydrophobicContact CB-CB 4.36Å; L121-L152 HydrophobicContact CB-CD1 3.59Å; L121-L152 WeakPolarHBondContact O-CA 3.5Å; L121-L153 PolarHBondContact O-N 3.38Å |
| 122 | V | 98.7 | Very high | 95.8 | Very high | 0 Ų | 0 | 69.4 Ų | 69.4 | 0% | 0 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 124.5 | 178 | 173.7 | 0 | 0 | 0 | 0 | 108.8 | I8 K15 A16 V17 I18 L34 V120 V155 | I8-V122 HydrophobicContact CB-CG2 4.25Å; I8-V122 HydrophobicContact CG2-CG2 3.68Å; K15-V122 HydrophobicContact CB-CG2 4.47Å; A16-V122 PolarHBondContact O-N 3.17Å; V17-V122 CarbonylContact C-O 3.54Å; V17-V122 WeakPolarHBondContact CA-O 2.94Å; V17-V122 HydrophobicContact CG2-CB 4.27Å; I18-V122 PolarHBondContact N-O 3.03Å; L34-V122 HydrophobicContact CD1-CG1 4.02Å; L34-V122 HydrophobicContact CD2-CG1 4.12Å; V120-V122 HydrophobicContact CG1-CG2 4.31Å; V120-V122 HydrophobicContact CG2-CG2 4.17Å; V122-V155 HydrophobicContact CG1-CB 4.18Å; V122-V155 HydrophobicContact CG1-CG2 3.55Å |
| 123 | A | 98.7 | Very high | 95.7 | Very high | 0 Ų | 0 | 67.2 Ų | 67.2 | 0% | 0 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 103.8 | 169.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | I18 L20 F100 L152 L153 L154 V155 | I18-A123 CarbonylContact O-C 3.59Å; I18-A123 VanDerWaalsContact O-CA 3.3Å; I18-A123 WeakPolarHBondContact O-CA 3.38Å; L20-A123 HydrophobicContact CD1-CB 4.19Å; F100-A123 HydrophobicContact CE1-CB 4.39Å; F100-A123 HydrophobicContact CE2-CB 3.48Å; F100-A123 VanDerWaalsContact CE2-CB 3.48Å; F100-A123 HydrophobicContact CZ-CB 3.4Å; F100-A123 VanDerWaalsContact CZ-CB 3.4Å; A123-L152 HydrophobicContact CB-CD1 4.35Å; A123-L153 PolarHBondContact N-O 3.22Å; A123-L154 HydrophobicContact CB-CD2 3.77Å; A123-L154 WeakPolarHBondContact O-CA 3.45Å; A123-V155 PolarHBondContact O-N 3.33Å |
| 124 | A | 98.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 124.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | I18 Y19 L20 L26 L34 V155 | I18-A124 PolarHBondContact O-N 2.98Å; Y19-A124 HydrophobicContact CD1-CB 3.61Å; Y19-A124 HydrophobicContact CE1-CB 3.86Å; Y19-A124 HydrophobicContact CG-CB 4.42Å; L20-A124 PolarHBondContact N-O 3.3Å; L26-A124 HydrophobicContact CD1-CB 3.75Å; L34-A124 HydrophobicContact CD1-CB 3.68Å; A124-V155 WeakPolarHBondContact CA-O 3.3Å |
| 125 | Q | 96.6 | Very high | 95.6 | Very high | 14 Ų | 14 | 61.8 Ų | 61.8 | 7% | 0.065 | 32% | 0.322 | C | S | . | . | trans | -141.5 | 170.7 | -176.9 | 58.5 | 88.4 | -23.5 | 0 | 0 | 110.6 | L20 L26 S127 L137 V155 S156 | L20-Q125 HydrophobicContact CB-CB 4.34Å; L20-Q125 HydrophobicContact CD1-CB 4.21Å; L26-Q125 WeakPolarHBondContact CD2-O 3.47Å; Q125-S127 VanDerWaalsContact OE1-N 3.11Å; Q125-L137 HydrophobicContact CB-CD1 4.22Å; Q125-L137 HydrophobicContact CG-CD1 4.01Å; Q125-V155 PolarHBondContact N-O 2.74Å; Q125-S156 WeakPolarHBondContact O-CA 3.41Å | ||
| 126 | M | 95.8 | Very high | 95.6 | Very high | 22 Ų | 22 | 55.2 Ų | 55.2 | 11% | 0.108 | 29% | 0.289 | C | S | . | . | trans | -114.6 | 135.3 | 168.7 | -77.5 | -66.9 | -56.4 | 0 | 0 | 108.3 | H22 I24 L26 E157 | H22-M126 HydrophobicContact CB-CB 4.04Å; H22-M126 PolarHBondContact CD2-O 2.93Å; H22-M126 WeakPolarHBondContact ND1-CB 3.27Å; I24-M126 HydrophobicContact CG2-CE 4.22Å; L26-M126 HydrophobicContact CD2-CG 4.09Å; L26-M126 HydrophobicContact CD2-SD 4.03Å; L26-M126 HydrophobicContact CG-CG 4.43Å; M126-E157 HydrophobicContact CE-CB 4.11Å; M126-E157 HydrophobicContact CE-CG 3.95Å; M126-E157 HydrophobicContact SD-CB 3.89Å; M126-E157 HydrophobicContact SD-CG 4.36Å | ||
| 127 | S | 91.2 | Very high | 95.7 | Very high | 55 Ų | 55 | 51.1 Ų | 51.1 | 39% | 0.385 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -71.2 | 139.6 | -178.2 | 81.5 | 0 | 0 | 0 | 0 | 111.3 | Q125 E157 | Q125-S127 VanDerWaalsContact OE1-N 3.11Å; S127-E157 WeakPolarHBondContact CB-OE1 3.33Å; S127-E157 PolarHBondContact N-OE2 3.14Å; S127-E157 PolarHBondContact OG-OE1 2.77Å |
| 128 | G | 90.3 | Very high | 95.7 | Very high | 38 Ų | 38 | 44.7 Ų | 44.7 | 39% | 0.392 | 25% | 0.245 | S | C | . | . | trans | 101.3 | -149.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114 | E134 | G128-E134 PolarHBondContact N-OE1 3.13Š| ||
| 129 | G | 89.4 | Confident | 95.7 | Very high | 63 Ų | 63 | 47.8 Ų | 47.8 | 65% | 0.649 | 26% | 0.258 | S | S | * | . | S | Bend | trans | 74.8 | -131.3 | -171.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | F131 | G129-F131 PolarHBondContact O-N 2.59Š|
| 130 | R | 93.1 | Very high | 95.8 | Very high | 149 Ų | 149 | 45.1 Ų | 45.1 | 56% | 0.562 | 24% | 0.243 | S | C | * | . | trans | -77.4 | 116.7 | -178.7 | -89.4 | 178.7 | 65.8 | -177.6 | -3.6 | 110.1 | D132 H133 E134 | R130-D132 VanDerWaalsContact C-N 3.28Å; R130-D132 WeakPolarHBondContact CB-OD1 3.34Å; R130-D132 IonicContact CZ-OD2 2.76Å; R130-D132 IonicContact NE-OD1 2.87Å; R130-D132 PolarHBondContact NE-OD1 3.41Å; R130-D132 IonicContact NE-OD2 3.98Å; R130-D132 PolarHBondContact NE-OD2 2.81Å; R130-D132 IonicContact NH2-OD1 3.38Å; R130-D132 IonicContact NH2-OD2 2.82Å; R130-D132 PolarHBondContact NH2-OD2 3.25Å; R130-D132 PolarHBondContact O-N 3.16Å; R130-H133 HydrophobicContact CB-CB 4.05Å; R130-H133 PolarHBondContact NE-NE2 3.14Å; R130-H133 PolarHBondContact NH1-NE2 3.46Å; R130-H133 VanDerWaalsContact NH1-NE2 3.16Å; R130-H133 PolarHBondContact NH2-NE2 3.05Å; R130-H133 VanDerWaalsContact NH2-NE2 3.17Å; R130-H133 WeakPolarHBondContact O-CA 3.29Å; R130-H133 VanDerWaalsContact O-CB 3.29Å; R130-H133 WeakPolarHBondContact O-CB 3.49Å; R130-H133 PolarHBondContact O-N 3.4Å; R130-E134 PolarHBondContact O-N 3.32Å | ||
| 131 | F | 95.2 | Very high | 95.8 | Very high | 151 Ų | 151 | 44.9 Ų | 44.9 | 66% | 0.662 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -62 | -34.3 | -177 | -176.4 | -106.8 | 0 | 0 | 0 | 113.5 | G129 H133 E134 M135 | G129-F131 PolarHBondContact O-N 2.59Å; F131-H133 VanDerWaalsContact C-N 3.27Å; F131-H133 PolarHBondContact O-N 2.89Å; F131-E134 WeakPolarHBondContact O-CB 3.24Å; F131-E134 PolarHBondContact O-N 2.96Å; F131-M135 HydrophobicContact CD2-CE 4.5Å; F131-M135 HydrophobicContact CE1-CE 4.17Å; F131-M135 HydrophobicContact CE1-CG 4.15Å; F131-M135 HydrophobicContact CE2-CE 3.58Å; F131-M135 HydrophobicContact CZ-CE 3.4Å; F131-M135 VanDerWaalsContact CZ-CE 3.4Å; F131-M135 HydrophobicContact CZ-CG 4.31Å; F131-M135 PolarHBondContact O-N 2.84Å; F131-M135 VanDerWaalsContact O-N 3.12Å |
| 132 | D | 94.4 | Very high | 95.7 | Very high | 87 Ų | 87 | 47.6 Ų | 47.6 | 47% | 0.465 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -64.5 | -33.5 | 174 | 61.2 | -56.8 | 0 | 0 | 0 | 112 | R130 M135 G136 | R130-D132 VanDerWaalsContact C-N 3.28Å; R130-D132 WeakPolarHBondContact CB-OD1 3.34Å; R130-D132 IonicContact CZ-OD2 2.76Å; R130-D132 IonicContact NE-OD1 2.87Å; R130-D132 PolarHBondContact NE-OD1 3.41Å; R130-D132 IonicContact NE-OD2 3.98Å; R130-D132 PolarHBondContact NE-OD2 2.81Å; R130-D132 IonicContact NH2-OD1 3.38Å; R130-D132 IonicContact NH2-OD2 2.82Å; R130-D132 PolarHBondContact NH2-OD2 3.25Å; R130-D132 PolarHBondContact O-N 3.16Å; D132-M135 PolarHBondContact O-N 2.91Å; D132-G136 PolarHBondContact O-N 2.98Å |
| 133 | H | 93.7 | Very high | 95.6 | Very high | 98 Ų | 98 | 49.5 Ų | 49.5 | 45% | 0.454 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -66.8 | -42.6 | 173.7 | -69.6 | -163.1 | 0 | 0 | 0 | 111.5 | R130 F131 M135 G136 L137 | R130-H133 HydrophobicContact CB-CB 4.05Å; R130-H133 PolarHBondContact NE-NE2 3.14Å; R130-H133 PolarHBondContact NH1-NE2 3.46Å; R130-H133 VanDerWaalsContact NH1-NE2 3.16Å; R130-H133 PolarHBondContact NH2-NE2 3.05Å; R130-H133 VanDerWaalsContact NH2-NE2 3.17Å; R130-H133 WeakPolarHBondContact O-CA 3.29Å; R130-H133 VanDerWaalsContact O-CB 3.29Å; R130-H133 WeakPolarHBondContact O-CB 3.49Å; R130-H133 PolarHBondContact O-N 3.4Å; F131-H133 VanDerWaalsContact C-N 3.27Å; F131-H133 PolarHBondContact O-N 2.89Å; H133-M135 VanDerWaalsContact C-N 3.31Å; H133-M135 PolarHBondContact O-N 3.17Å; H133-G136 CarbonylContact O-C 3.52Å; H133-G136 VanDerWaalsContact O-CA 3.29Å; H133-G136 WeakPolarHBondContact O-CA 3.48Å; H133-G136 PolarHBondContact O-N 2.84Å; H133-L137 WeakPolarHBondContact O-CG 3.42Å; H133-L137 PolarHBondContact O-N 3.46Å |
| 134 | E | 95.7 | Very high | 95.5 | Very high | 35 Ų | 35 | 49.8 Ų | 49.8 | 16% | 0.164 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -57.4 | -45.4 | 175.9 | -69.7 | -68.8 | -179.7 | 0 | 0 | 111.4 | G128 R130 F131 G136 L137 I138 | G128-E134 PolarHBondContact N-OE1 3.13Å; R130-E134 PolarHBondContact O-N 3.32Å; F131-E134 WeakPolarHBondContact O-CB 3.24Å; F131-E134 PolarHBondContact O-N 2.96Å; E134-G136 VanDerWaalsContact C-N 3.27Å; E134-G136 PolarHBondContact O-N 3.45Å; E134-L137 WeakPolarHBondContact O-CB 3.36Å; E134-L137 PolarHBondContact O-N 3.39Å; E134-I138 PolarHBondContact O-N 2.94Å; E134-I138 VanDerWaalsContact O-N 3.17Å |
| 135 | M | 96.4 | Very high | 95.3 | Very high | 86 Ų | 86 | 52.7 Ų | 52.7 | 42% | 0.424 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -65.4 | -31.9 | 174.2 | -66.8 | -59.1 | 145.4 | 0 | 0 | 112.5 | F131 D132 H133 L137 I138 K139 | F131-M135 HydrophobicContact CD2-CE 4.5Å; F131-M135 HydrophobicContact CE1-CE 4.17Å; F131-M135 HydrophobicContact CE1-CG 4.15Å; F131-M135 HydrophobicContact CE2-CE 3.58Å; F131-M135 HydrophobicContact CZ-CE 3.4Å; F131-M135 VanDerWaalsContact CZ-CE 3.4Å; F131-M135 HydrophobicContact CZ-CG 4.31Å; F131-M135 PolarHBondContact O-N 2.84Å; F131-M135 VanDerWaalsContact O-N 3.12Å; D132-M135 PolarHBondContact O-N 2.91Å; H133-M135 VanDerWaalsContact C-N 3.31Å; H133-M135 PolarHBondContact O-N 3.17Å; M135-L137 VanDerWaalsContact C-N 3.32Å; M135-L137 PolarHBondContact O-N 3.41Å; M135-I138 PolarHBondContact O-N 3.49Å; M135-K139 WeakPolarHBondContact O-CB 3.36Å; M135-K139 PolarHBondContact O-N 2.98Å |
| 136 | G | 96.2 | Very high | 95.3 | Very high | 13 Ų | 13 | 59.1 Ų | 59.1 | 13% | 0.134 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -60.8 | -36.5 | 169.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | D132 H133 E134 T140 | D132-G136 PolarHBondContact O-N 2.98Å; H133-G136 CarbonylContact O-C 3.52Å; H133-G136 VanDerWaalsContact O-CA 3.29Å; H133-G136 WeakPolarHBondContact O-CA 3.48Å; H133-G136 PolarHBondContact O-N 2.84Å; E134-G136 VanDerWaalsContact C-N 3.27Å; E134-G136 PolarHBondContact O-N 3.45Å; G136-T140 PolarHBondContact O-N 3.03Å; G136-T140 PolarHBondContact O-OG1 3.18Å |
| 137 | L | 97.5 | Very high | 95.2 | Very high | 23 Ų | 23 | 60 Ų | 60 | 12% | 0.12 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -64.7 | -46.6 | 173.6 | -54.2 | -171.9 | 0 | 0 | 0 | 110.9 | L20 F100 Q125 H133 E134 M135 T140 L141 L154 | L20-L137 HydrophobicContact CD1-CD1 4.39Å; L20-L137 HydrophobicContact CD1-CD2 3.48Å; L20-L137 VanDerWaalsContact CD1-CD2 3.48Å; F100-L137 HydrophobicContact CD1-CD2 3.73Å; F100-L137 HydrophobicContact CE1-CD2 4.3Å; F100-L137 HydrophobicContact CG-CD2 4.43Å; Q125-L137 HydrophobicContact CB-CD1 4.22Å; Q125-L137 HydrophobicContact CG-CD1 4.01Å; H133-L137 WeakPolarHBondContact O-CG 3.42Å; H133-L137 PolarHBondContact O-N 3.46Å; E134-L137 WeakPolarHBondContact O-CB 3.36Å; E134-L137 PolarHBondContact O-N 3.39Å; M135-L137 VanDerWaalsContact C-N 3.32Å; M135-L137 PolarHBondContact O-N 3.41Å; L137-T140 WeakPolarHBondContact O-CB 3.36Å; L137-T140 PolarHBondContact O-N 3.41Å; L137-T140 VanDerWaalsContact O-N 3.17Å; L137-L141 PolarHBondContact O-N 3.17Å; L137-L154 HydrophobicContact CB-CD1 3.8Å; L137-L154 HydrophobicContact CB-CD2 4.43Å |
| 138 | I | 97.7 | Very high | 95.5 | Very high | 21 Ų | 21 | 58.3 Ų | 58.3 | 11% | 0.108 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -63.2 | -44.3 | 177.9 | -54.9 | -52.4 | 0 | 0 | 0 | 110.9 | E134 M135 T140 L141 Y142 L154 V187 L233 | E134-I138 PolarHBondContact O-N 2.94Å; E134-I138 VanDerWaalsContact O-N 3.17Å; M135-I138 PolarHBondContact O-N 3.49Å; I138-T140 PolarHBondContact O-N 3.21Å; I138-L141 HydrophobicContact CD1-CD1 4.36Å; I138-L141 WeakPolarHBondContact O-CB 3.19Å; I138-L141 PolarHBondContact O-N 3.32Å; I138-Y142 HydrophobicContact CG2-CD2 4.49Å; I138-Y142 HydrophobicContact CG2-CE2 4.16Å; I138-Y142 WeakPolarHBondContact O-CD2 3.32Å; I138-Y142 PolarHBondContact O-N 3Å; I138-L154 HydrophobicContact CD1-CD1 3.96Å; I138-V187 HydrophobicContact CG2-CB 4.33Å; I138-V187 HydrophobicContact CG2-CG1 3.99Å; I138-V187 HydrophobicContact CG2-CG2 4.25Å; I138-L233 HydrophobicContact CD1-CD1 4.24Å; I138-L233 HydrophobicContact CD1-CD2 3.84Å; I138-L233 HydrophobicContact CG2-CD1 4.41Å |
| 139 | K | 97.1 | Very high | 95.7 | Very high | 83 Ų | 83 | 63.9 Ų | 63.9 | 36% | 0.361 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -55.8 | -40.3 | 174.3 | -176.1 | -115.6 | 177.5 | -173 | 0 | 111.6 | M135 L141 Y142 E143 | M135-K139 WeakPolarHBondContact O-CB 3.36Å; M135-K139 PolarHBondContact O-N 2.98Å; K139-L141 VanDerWaalsContact C-N 3.3Å; K139-L141 PolarHBondContact O-N 2.81Å; K139-Y142 WeakPolarHBondContact O-CB 3.31Å; K139-Y142 PolarHBondContact O-N 2.99Å; K139-Y142 VanDerWaalsContact O-N 3.14Å; K139-E143 HydrophobicContact CD-CG 4.39Å; K139-E143 PolarHBondContact O-N 2.78Å |
| 140 | T | 97.8 | Very high | 96 | Very high | 1 Ų | 1 | 62.6 Ų | 62.6 | 1% | 0.006 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -64.6 | -33.2 | 178.1 | -53.2 | 0 | 0 | 0 | 0 | 112.2 | T98 F100 T101 V104 G136 L137 I138 Y142 E143 A144 | T98-T140 PolarHBondContact OG1-OG1 3.45Å; F100-T140 HydrophobicContact CD1-CG2 3.38Å; F100-T140 WeakPolarHBondContact CD1-OG1 3.45Å; F100-T140 HydrophobicContact CD2-CG2 4.28Å; F100-T140 VanDerWaalsContact CE1-CB 3.46Å; F100-T140 HydrophobicContact CE1-CG2 3.42Å; F100-T140 VanDerWaalsContact CE1-CG2 3.42Å; F100-T140 HydrophobicContact CE2-CG2 4.32Å; F100-T140 HydrophobicContact CG-CG2 3.83Å; F100-T140 HydrophobicContact CZ-CG2 3.92Å; T101-T140 WeakPolarHBondContact OG1-CG2 3.27Å; T101-T140 PolarHBondContact OG1-OG1 2.93Å; V104-T140 HydrophobicContact CG2-CG2 4.27Å; G136-T140 PolarHBondContact O-N 3.03Å; G136-T140 PolarHBondContact O-OG1 3.18Å; L137-T140 WeakPolarHBondContact O-CB 3.36Å; L137-T140 PolarHBondContact O-N 3.41Å; L137-T140 VanDerWaalsContact O-N 3.17Å; I138-T140 PolarHBondContact O-N 3.21Å; T140-Y142 VanDerWaalsContact C-N 3.3Å; T140-Y142 PolarHBondContact O-N 2.91Å; T140-E143 PolarHBondContact O-N 2.77Å; T140-A144 VanDerWaalsContact O-CB 3.27Å; T140-A144 WeakPolarHBondContact O-CB 3.26Å; T140-A144 PolarHBondContact O-N 2.91Å |
| 141 | L | 98.1 | Very high | 96.2 | Very high | 4 Ų | 4 | 57.2 Ų | 57.2 | 2% | 0.021 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -61 | -38.5 | 173.2 | -66.7 | 177.6 | 0 | 0 | 0 | 112.3 | L137 I138 K139 L152 L154 L163 L233 | L137-L141 PolarHBondContact O-N 3.17Å; I138-L141 HydrophobicContact CD1-CD1 4.36Å; I138-L141 WeakPolarHBondContact O-CB 3.19Å; I138-L141 PolarHBondContact O-N 3.32Å; K139-L141 VanDerWaalsContact C-N 3.3Å; K139-L141 PolarHBondContact O-N 2.81Å; L141-L152 HydrophobicContact CD2-CB 4.25Å; L141-L152 HydrophobicContact CD2-CD2 3.9Å; L141-L152 HydrophobicContact CD2-CG 3.76Å; L141-L154 HydrophobicContact CD1-CD1 3.83Å; L141-L154 HydrophobicContact CD1-CG 4.01Å; L141-L154 HydrophobicContact CD2-CD2 4.24Å; L141-L154 HydrophobicContact CD2-CG 4.02Å; L141-L154 HydrophobicContact CG-CD1 4.18Å; L141-L154 HydrophobicContact CG-CG 4.16Å; L141-L163 HydrophobicContact CB-CB 4.12Å; L141-L233 HydrophobicContact CD1-CD1 3.59Å |
| 142 | Y | 97.4 | Very high | 96.4 | Very high | 57 Ų | 57 | 50.7 Ų | 50.7 | 22% | 0.224 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -69.1 | -42.6 | 175.3 | -78.4 | -102.5 | 0 | 0 | 0 | 111.8 | I138 K139 T140 L163 G188 P231 | I138-Y142 HydrophobicContact CG2-CD2 4.49Å; I138-Y142 HydrophobicContact CG2-CE2 4.16Å; I138-Y142 WeakPolarHBondContact O-CD2 3.32Å; I138-Y142 PolarHBondContact O-N 3Å; K139-Y142 WeakPolarHBondContact O-CB 3.31Å; K139-Y142 PolarHBondContact O-N 2.99Å; K139-Y142 VanDerWaalsContact O-N 3.14Å; T140-Y142 VanDerWaalsContact C-N 3.3Å; T140-Y142 PolarHBondContact O-N 2.91Å; Y142-L163 HydrophobicContact CD1-CD2 3.81Å; Y142-L163 HydrophobicContact CD2-CD1 4.3Å; Y142-L163 HydrophobicContact CD2-CD2 3.7Å; Y142-L163 HydrophobicContact CE1-CD1 4.29Å; Y142-L163 HydrophobicContact CE1-CD2 4.01Å; Y142-L163 HydrophobicContact CE2-CD1 3.67Å; Y142-L163 HydrophobicContact CE2-CD2 3.89Å; Y142-L163 HydrophobicContact CE2-CG 4.45Å; Y142-L163 HydrophobicContact CG-CD2 3.65Å; Y142-G188 PolarHBondContact OH-N 2.85Å; Y142-P231 HydrophobicContact CD1-CB 4.5Å; Y142-P231 HydrophobicContact CE1-CB 3.69Å; Y142-P231 HydrophobicContact CE1-CG 4.23Å |
| 143 | E | 96.5 | Very high | 96.6 | Very high | 40 Ų | 40 | 46.8 Ų | 46.8 | 19% | 0.187 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -65.6 | -40.9 | 177.6 | -68.8 | -55.5 | 148.1 | 0 | 0 | 111.8 | T101 K139 T140 K145 K146 | T101-E143 HydrophobicContact CG2-CB 4.37Å; K139-E143 HydrophobicContact CD-CG 4.39Å; K139-E143 PolarHBondContact O-N 2.78Å; T140-E143 PolarHBondContact O-N 2.77Å; E143-K145 PolarHBondContact O-N 2.84Å; E143-K145 VanDerWaalsContact O-N 3.16Å; E143-K146 WeakPolarHBondContact O-CB 3.25Å; E143-K146 PolarHBondContact O-N 2.91Å; E143-K146 IonicContact OE1-NZ 2.72Å; E143-K146 PolarHBondContact OE1-NZ 2.94Å; E143-K146 WeakPolarHBondContact OE2-CD 3.4Å; E143-K146 WeakPolarHBondContact OE2-CE 3.48Å; E143-K146 IonicContact OE2-NZ 3.71Å; E143-K146 PolarHBondContact OE2-NZ 3.15Å |
| 144 | A | 96.7 | Very high | 96.8 | Very high | 5 Ų | 5 | 42.2 Ų | 42.2 | 4% | 0.041 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -57.7 | -33.3 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | V104 T140 K146 L147 T148 L152 | V104-A144 HydrophobicContact CG1-CB 4.38Å; T140-A144 VanDerWaalsContact O-CB 3.27Å; T140-A144 WeakPolarHBondContact O-CB 3.26Å; T140-A144 PolarHBondContact O-N 2.91Å; A144-K146 PolarHBondContact O-N 2.85Å; A144-L147 PolarHBondContact O-N 3.02Å; A144-T148 PolarHBondContact O-N 3.29Å; A144-L152 HydrophobicContact CB-CB 4.35Å; A144-L152 HydrophobicContact CB-CD2 3.47Å; A144-L152 VanDerWaalsContact CB-CD2 3.47Å |
| 145 | K | 95 | Very high | 96.9 | Very high | 61 Ų | 61 | 40.5 Ų | 40.5 | 27% | 0.265 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -59.9 | -27.2 | 174.8 | -66.7 | -66.7 | -170.7 | 165 | 0 | 113.4 | Y3 E143 L163 D165 | Y3-K145 PolarHBondContact OH-NZ 3.49Å; E143-K145 PolarHBondContact O-N 2.84Å; E143-K145 VanDerWaalsContact O-N 3.16Å; K145-L163 WeakPolarHBondContact CE-O 3.25Å; K145-L163 HydrophobicContact CG-CD2 4.21Å; K145-L163 PolarHBondContact NZ-O 2.84Å; K145-D165 WeakPolarHBondContact CD-OD1 3.26Å; K145-D165 WeakPolarHBondContact CE-OD1 3.27Å; K145-D165 WeakPolarHBondContact CE-OD2 3.45Å; K145-D165 IonicContact NZ-OD1 3.72Å; K145-D165 IonicContact NZ-OD2 2.68Å; K145-D165 PolarHBondContact NZ-OD2 2.92Å |
| 146 | K | 95.6 | Very high | 96.9 | Very high | 150 Ų | 150 | 36.5 Ų | 36.5 | 65% | 0.652 | 18% | 0.181 | S | C | * | . | H | α-helix | trans | -82 | -18.8 | 175.6 | -52 | 175.1 | -163.5 | 159.2 | 0 | 112.2 | E143 A144 | E143-K146 WeakPolarHBondContact O-CB 3.25Å; E143-K146 PolarHBondContact O-N 2.91Å; E143-K146 IonicContact OE1-NZ 2.72Å; E143-K146 PolarHBondContact OE1-NZ 2.94Å; E143-K146 WeakPolarHBondContact OE2-CD 3.4Å; E143-K146 WeakPolarHBondContact OE2-CE 3.48Å; E143-K146 IonicContact OE2-NZ 3.71Å; E143-K146 PolarHBondContact OE2-NZ 3.15Å; A144-K146 PolarHBondContact O-N 2.85Å |
| 147 | L | 95.2 | Very high | 96.9 | Very high | 39 Ų | 39 | 37.8 Ų | 37.8 | 20% | 0.204 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -97 | -33.2 | -172.7 | -56.3 | -179.2 | 0 | 0 | 0 | 113 | V104 R105 I108 A144 | V104-L147 HydrophobicContact CG1-CD1 4.2Å; R105-L147 HydrophobicContact CG-CD1 3.77Å; I108-L147 HydrophobicContact CD1-CB 3.73Å; A144-L147 PolarHBondContact O-N 3.02Å |
| 148 | T | 95.6 | Very high | 96.7 | Very high | 21 Ų | 21 | 39 Ų | 39 | 13% | 0.129 | 19% | 0.194 | C | C | . | . | trans | -156.7 | 153.6 | -173.7 | -172.9 | 0 | 0 | 0 | 0 | 112.5 | I108 L121 A144 I150 | I108-T148 HydrophobicContact CD1-CG2 3.5Å; I108-T148 HydrophobicContact CG1-CG2 4.04Å; L121-T148 HydrophobicContact CD1-CG2 4.18Å; A144-T148 PolarHBondContact O-N 3.29Å; T148-I150 HydrophobicContact CG2-CB 4.3Å; T148-I150 WeakPolarHBondContact OG1-CG1 3.39Å; T148-I150 PolarHBondContact OG1-N 3.21Å | ||
| 149 | N | 95 | Very high | 96.7 | Very high | 154 Ų | 154 | 39 Ų | 39 | 82% | 0.824 | 20% | 0.196 | S | C | * | . | S | Bend | trans | -88.3 | -5.8 | 168.6 | -67.9 | -33.3 | 0 | 0 | 0 | 112.6 | P151 | N149-P151 WeakPolarHBondContact O-CD 3.42Š|
| 150 | I | 96.8 | Very high | 96.7 | Very high | 37 Ų | 37 | 35 Ų | 35 | 19% | 0.19 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -69.7 | 125.7 | 175.2 | -56.5 | 170.5 | 0 | 0 | 0 | 107.8 | I111 V118 L121 T148 L152 | I111-I150 HydrophobicContact CD1-CD1 4.29Å; I111-I150 HydrophobicContact CG2-CD1 4.47Å; V118-I150 HydrophobicContact CB-CD1 4.45Å; V118-I150 HydrophobicContact CG1-CG2 4.36Å; L121-I150 HydrophobicContact CD2-CG2 4.09Å; L121-I150 HydrophobicContact CG-CB 4.27Å; L121-I150 HydrophobicContact CG-CG2 3.79Å; T148-I150 HydrophobicContact CG2-CB 4.3Å; T148-I150 WeakPolarHBondContact OG1-CG1 3.39Å; T148-I150 PolarHBondContact OG1-N 3.21Å; I150-L152 PolarHBondContact O-N 3.18Å |
| 151 | P | 97.4 | Very high | 96.8 | Very high | 35 Ų | 35 | 35.7 Ų | 35.7 | 23% | 0.227 | 18% | 0.182 | C | C | . | . | trans | -55.1 | 134.3 | 176.1 | -25.8 | 34.4 | 0 | 0 | 0 | 112 | Y3 D119 L121 N149 | Y3-P151 HydrophobicContact CE1-CB 4.27Å; Y3-P151 HydrophobicContact CE1-CG 4.41Å; D119-P151 WeakPolarHBondContact O-CD 2.86Å; L121-P151 PolarHBondContact N-O 2.93Å; N149-P151 WeakPolarHBondContact O-CD 3.42Å | ||
| 152 | L | 98.5 | Very high | 96.8 | Very high | 14 Ų | 14 | 35.6 Ų | 35.6 | 7% | 0.073 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 121.4 | 171.7 | 177 | 61.4 | 0 | 0 | 0 | 109.4 | F100 V104 L121 A123 L141 A144 I150 | F100-L152 HydrophobicContact CZ-CD1 4.23Å; F100-L152 HydrophobicContact CZ-CD2 3.89Å; F100-L152 HydrophobicContact CZ-CG 4.44Å; V104-L152 HydrophobicContact CG2-CD2 4.11Å; L121-L152 HydrophobicContact CB-CB 4.36Å; L121-L152 HydrophobicContact CB-CD1 3.59Å; L121-L152 WeakPolarHBondContact O-CA 3.5Å; A123-L152 HydrophobicContact CB-CD1 4.35Å; L141-L152 HydrophobicContact CD2-CB 4.25Å; L141-L152 HydrophobicContact CD2-CD2 3.9Å; L141-L152 HydrophobicContact CD2-CG 3.76Å; A144-L152 HydrophobicContact CB-CB 4.35Å; A144-L152 HydrophobicContact CB-CD2 3.47Å; A144-L152 VanDerWaalsContact CB-CD2 3.47Å; I150-L152 PolarHBondContact O-N 3.18Å |
| 153 | L | 98.7 | Very high | 96.8 | Very high | 5 Ų | 5 | 33.1 Ų | 33.1 | 3% | 0.026 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 130 | 179.1 | -46.2 | -176.1 | 0 | 0 | 0 | 109.7 | P5 I8 V120 L121 A123 V160 F162 | P5-L153 HydrophobicContact CB-CD1 4.46Å; I8-L153 HydrophobicContact CG2-CD1 3.76Å; V120-L153 HydrophobicContact CG2-CD1 3.68Å; V120-L153 HydrophobicContact CG2-CG 3.69Å; L121-L153 PolarHBondContact O-N 3.38Å; A123-L153 PolarHBondContact N-O 3.22Å; L153-V160 HydrophobicContact CB-CG1 3.98Å; L153-V160 HydrophobicContact CD1-CG1 3.99Å; L153-V160 HydrophobicContact CG-CG1 4.45Å; L153-F162 HydrophobicContact CD2-CB 3.37Å; L153-F162 HydrophobicContact CD2-CD1 3.96Å; L153-F162 HydrophobicContact CD2-CD2 4.36Å; L153-F162 HydrophobicContact CD2-CG 3.66Å |
| 154 | L | 98.5 | Very high | 96.9 | Very high | 2 Ų | 2 | 31.2 Ų | 31.2 | 1% | 0.01 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 131 | 163.5 | -56.8 | -178.5 | 0 | 0 | 0 | 108.4 | F100 A123 L137 I138 L141 V160 T161 | F100-L154 HydrophobicContact CE1-CD2 3.69Å; F100-L154 HydrophobicContact CZ-CD2 3.77Å; A123-L154 HydrophobicContact CB-CD2 3.77Å; A123-L154 WeakPolarHBondContact O-CA 3.45Å; L137-L154 HydrophobicContact CB-CD1 3.8Å; L137-L154 HydrophobicContact CB-CD2 4.43Å; I138-L154 HydrophobicContact CD1-CD1 3.96Å; L141-L154 HydrophobicContact CD1-CD1 3.83Å; L141-L154 HydrophobicContact CD1-CG 4.01Å; L141-L154 HydrophobicContact CD2-CD2 4.24Å; L141-L154 HydrophobicContact CD2-CG 4.02Å; L141-L154 HydrophobicContact CG-CD1 4.18Å; L141-L154 HydrophobicContact CG-CG 4.16Å; L154-V160 CarbonylContact O-C 3.58Å; L154-V160 WeakPolarHBondContact O-CA 3.38Å; L154-T161 PolarHBondContact N-O 3.13Å; L154-T161 PolarHBondContact O-N 3.38Å |
| 155 | V | 98.2 | Very high | 96.9 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 107.9 | 179.2 | -176 | 0 | 0 | 0 | 0 | 107.6 | I8 F9 L30 L34 V122 A123 A124 Q125 V160 Y238 | I8-V155 HydrophobicContact CD1-CG1 4.28Å; I8-V155 HydrophobicContact CD1-CG2 3.44Å; I8-V155 VanDerWaalsContact CD1-CG2 3.44Å; F9-V155 HydrophobicContact CZ-CG1 4.28Å; L30-V155 HydrophobicContact CD1-CG1 4.11Å; L34-V155 HydrophobicContact CD1-CB 4.38Å; L34-V155 HydrophobicContact CD1-CG1 4.15Å; V122-V155 HydrophobicContact CG1-CB 4.18Å; V122-V155 HydrophobicContact CG1-CG2 3.55Å; A123-V155 PolarHBondContact O-N 3.33Å; A124-V155 WeakPolarHBondContact CA-O 3.3Å; Q125-V155 PolarHBondContact N-O 2.74Å; V155-V160 HydrophobicContact CG1-CG2 4.35Å; V155-V160 HydrophobicContact CG2-CG1 4.48Å; V155-V160 HydrophobicContact CG2-CG2 4.15Å; V155-Y238 HydrophobicContact CG1-CE1 4.41Å |
| 156 | S | 96.6 | Very high | 97 | Very high | 1 Ų | 1 | 36.7 Ų | 36.7 | 1% | 0.007 | 19% | 0.191 | C | C | . | . | trans | -88 | -173.8 | 171.2 | 76.5 | 0 | 0 | 0 | 0 | 110.5 | L30 Q125 C158 S159 Y238 | L30-S156 WeakPolarHBondContact CD2-O 3.43Å; Q125-S156 WeakPolarHBondContact O-CA 3.41Å; S156-C158 PolarHBondContact O-N 3.21Å; S156-C158 PolarHBondContact OG-N 3.19Å; S156-C158 PolarHBondContact OG-SG 3.29Å; S156-C158 VanDerWaalsContact OG-SG 3.36Å; S156-S159 PolarHBondContact N-O 2.74Å; S156-S159 PolarHBondContact OG-N 3.41Å; S156-S159 PolarHBondContact OG-O 3.31Å; S156-S159 PolarHBondContact OG-OG 3.45Å; S156-Y238 PolarHBondContact O-OH 3.34Å | ||
| 157 | E | 94.7 | Very high | 97.2 | Very high | 41 Ų | 41 | 30.9 Ų | 30.9 | 19% | 0.192 | 17% | 0.174 | C | C | . | . | S | Bend | trans | -70.2 | -4.3 | 171.4 | 75.2 | -69.5 | 169.6 | 0 | 0 | 115.1 | P27 M126 S127 Y238 N240 | P27-E157 HydrophobicContact CG-CB 4.13Å; M126-E157 HydrophobicContact CE-CB 4.11Å; M126-E157 HydrophobicContact CE-CG 3.95Å; M126-E157 HydrophobicContact SD-CB 3.89Å; M126-E157 HydrophobicContact SD-CG 4.36Å; S127-E157 WeakPolarHBondContact CB-OE1 3.33Å; S127-E157 PolarHBondContact N-OE2 3.14Å; S127-E157 PolarHBondContact OG-OE1 2.77Å; E157-Y238 WeakPolarHBondContact CA-OH 3.38Å; E157-Y238 PolarHBondContact O-OH 2.63Å; E157-N240 PolarHBondContact O-ND2 3.15Å; E157-N240 PolarHBondContact O-OD1 3.29Å |
| 158 | C | 93.9 | Very high | 97.3 | Very high | 47 Ų | 47 | 35.1 Ų | 35.1 | 32% | 0.318 | 19% | 0.193 | S | C | . | . | S | Bend | trans | -144 | -13.2 | -175.8 | 61.9 | 0 | 0 | 0 | 0 | 114.6 | S156 E237 Y238 | S156-C158 PolarHBondContact O-N 3.21Å; S156-C158 PolarHBondContact OG-N 3.19Å; S156-C158 PolarHBondContact OG-SG 3.29Å; S156-C158 VanDerWaalsContact OG-SG 3.36Å; C158-E237 WeakPolarHBondContact O-CA 2.99Å; C158-Y238 VanDerWaalsContact C-CE1 3.48Å; C158-Y238 PolarHBondContact N-OH 2.99Å; C158-Y238 PolarHBondContact O-N 3.2Å |
| 159 | S | 96.9 | Very high | 97.5 | Very high | 22 Ų | 22 | 34.6 Ų | 34.6 | 15% | 0.154 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 154.6 | -173.1 | 70.5 | 0 | 0 | 0 | 0 | 113.7 | S156 M236 Y238 | S156-S159 PolarHBondContact N-O 2.74Å; S156-S159 PolarHBondContact OG-N 3.41Å; S156-S159 PolarHBondContact OG-O 3.31Å; S156-S159 PolarHBondContact OG-OG 3.45Å; S159-M236 CarbonylContact C-O 3.5Å; S159-M236 VanDerWaalsContact CA-O 3.25Å; S159-M236 WeakPolarHBondContact CA-O 3.43Å; S159-Y238 VanDerWaalsContact N-CE1 3.26Å |
| 160 | V | 98.3 | Very high | 97.6 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 126.2 | 164.6 | 179.8 | 0 | 0 | 0 | 0 | 108.5 | P5 L6 I8 L153 L154 V155 F162 T235 M236 Y238 | P5-V160 HydrophobicContact CB-CG1 4.07Å; L6-V160 HydrophobicContact CD2-CB 3.94Å; L6-V160 HydrophobicContact CD2-CG2 3.42Å; L6-V160 VanDerWaalsContact CD2-CG2 3.42Å; I8-V160 HydrophobicContact CD1-CG2 3.86Å; L153-V160 HydrophobicContact CB-CG1 3.98Å; L153-V160 HydrophobicContact CD1-CG1 3.99Å; L153-V160 HydrophobicContact CG-CG1 4.45Å; L154-V160 CarbonylContact O-C 3.58Å; L154-V160 WeakPolarHBondContact O-CA 3.38Å; V155-V160 HydrophobicContact CG1-CG2 4.35Å; V155-V160 HydrophobicContact CG2-CG1 4.48Å; V155-V160 HydrophobicContact CG2-CG2 4.15Å; V160-F162 HydrophobicContact CG1-CD1 4.4Å; V160-T235 WeakPolarHBondContact O-CA 3.42Å; V160-M236 HydrophobicContact CB-CG 4.38Å; V160-M236 PolarHBondContact N-O 3.02Å; V160-M236 PolarHBondContact O-N 2.86Å; V160-Y238 HydrophobicContact CG2-CD1 3.96Å; V160-Y238 HydrophobicContact CG2-CE1 4.33Å |
| 161 | T | 98.6 | Very high | 97.7 | Very high | 14 Ų | 14 | 27.1 Ų | 27.1 | 9% | 0.086 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 134 | -175.4 | -61.1 | 0 | 0 | 0 | 0 | 110.8 | L154 L233 F234 T235 | L154-T161 PolarHBondContact N-O 3.13Å; L154-T161 PolarHBondContact O-N 3.38Å; T161-L233 HydrophobicContact CG2-CD1 3.74Å; T161-L233 HydrophobicContact CG2-CD2 3.71Å; T161-L233 HydrophobicContact CG2-CG 3.63Å; T161-F234 CarbonylContact C-O 3.55Å; T161-F234 WeakPolarHBondContact CA-O 3.39Å; T161-T235 WeakPolarHBondContact OG1-CB 3.05Å; T161-T235 PolarHBondContact OG1-OG1 3.43Å |
| 162 | F | 98.5 | Very high | 97.8 | Very high | 2 Ų | 2 | 27 Ų | 27 | 1% | 0.009 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 161.5 | -177.8 | 58.9 | -80.3 | 0 | 0 | 0 | 112.3 | Y3 P5 L153 V160 L164 I171 F234 | Y3-F162 HydrophobicContact CD1-CD2 4.04Å; Y3-F162 AromaticContact CD1-CE2 3.84Å; Y3-F162 HydrophobicContact CD1-CE2 3.84Å; Y3-F162 HydrophobicContact CD2-CE2 4.2Å; Y3-F162 HydrophobicContact CE1-CD2 4.04Å; Y3-F162 HydrophobicContact CE1-CE2 4.18Å; Y3-F162 HydrophobicContact CG-CD2 4.49Å; Y3-F162 AromaticContact CG-CE2 3.85Å; Y3-F162 HydrophobicContact CG-CE2 3.85Å; P5-F162 HydrophobicContact CB-CD1 4.31Å; P5-F162 HydrophobicContact CB-CE1 3.72Å; P5-F162 HydrophobicContact CB-CZ 4.28Å; P5-F162 HydrophobicContact CG-CD1 4.32Å; P5-F162 HydrophobicContact CG-CE1 3.36Å; P5-F162 HydrophobicContact CG-CE2 4.43Å; P5-F162 HydrophobicContact CG-CZ 3.43Å; P5-F162 VanDerWaalsContact CG-CZ 3.43Å; L153-F162 HydrophobicContact CD2-CB 3.37Å; L153-F162 HydrophobicContact CD2-CD1 3.96Å; L153-F162 HydrophobicContact CD2-CD2 4.36Å; L153-F162 HydrophobicContact CD2-CG 3.66Å; V160-F162 HydrophobicContact CG1-CD1 4.4Å; F162-L164 HydrophobicContact CD2-CD2 4.15Å; F162-L164 HydrophobicContact CE2-CD2 3.64Å; F162-L164 HydrophobicContact CE2-CG 4.46Å; F162-I171 HydrophobicContact CZ-CD1 4.35Å; F162-I171 HydrophobicContact CZ-CG1 4.49Å; F162-F234 HydrophobicContact CD1-CD1 4.45Å; F162-F234 HydrophobicContact CE1-CB 4.24Å; F162-F234 AromaticContact CE1-CD1 3.48Å; F162-F234 HydrophobicContact CE1-CD1 3.48Å; F162-F234 VanDerWaalsContact CE1-CD1 3.48Å; F162-F234 HydrophobicContact CE1-CE1 4.26Å; F162-F234 HydrophobicContact CE1-CG 4.22Å; F162-F234 HydrophobicContact CE2-CB 4.14Å; F162-F234 HydrophobicContact CE2-CD1 4.43Å; F162-F234 HydrophobicContact CE2-CG 4.48Å; F162-F234 HydrophobicContact CZ-CB 3.96Å; F162-F234 AromaticContact CZ-CD1 3.46Å; F162-F234 HydrophobicContact CZ-CD1 3.46Å; F162-F234 VanDerWaalsContact CZ-CD1 3.46Å; F162-F234 HydrophobicContact CZ-CE1 4.2Å; F162-F234 AromaticContact CZ-CG 3.9Å; F162-F234 HydrophobicContact CZ-CG 3.9Å; F162-F234 PolarHBondContact N-O 3.16Å; F162-F234 PolarHBondContact O-N 3.2Å |
| 163 | L | 98.4 | Very high | 97.7 | Very high | 6 Ų | 6 | 26.7 Ų | 26.7 | 3% | 0.031 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 120.3 | -176.8 | -169.7 | 69.4 | 0 | 0 | 0 | 111 | L141 Y142 K145 P231 L233 | L141-L163 HydrophobicContact CB-CB 4.12Å; Y142-L163 HydrophobicContact CD1-CD2 3.81Å; Y142-L163 HydrophobicContact CD2-CD1 4.3Å; Y142-L163 HydrophobicContact CD2-CD2 3.7Å; Y142-L163 HydrophobicContact CE1-CD1 4.29Å; Y142-L163 HydrophobicContact CE1-CD2 4.01Å; Y142-L163 HydrophobicContact CE2-CD1 3.67Å; Y142-L163 HydrophobicContact CE2-CD2 3.89Å; Y142-L163 HydrophobicContact CE2-CG 4.45Å; Y142-L163 HydrophobicContact CG-CD2 3.65Å; K145-L163 WeakPolarHBondContact CE-O 3.25Å; K145-L163 HydrophobicContact CG-CD2 4.21Å; K145-L163 PolarHBondContact NZ-O 2.84Å; L163-P231 HydrophobicContact CD1-CB 4.07Å; L163-P231 HydrophobicContact CD2-CB 4.36Å; L163-P231 HydrophobicContact CG-CB 4.32Å; L163-L233 HydrophobicContact CD1-CD1 4.37Å |
| 164 | L | 98.3 | Very high | 97.7 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 136.9 | 166.8 | -58.6 | 177.5 | 0 | 0 | 0 | 109.1 | Y3 F162 H169 I171 V226 P231 L232 F234 | Y3-L164 HydrophobicContact CD2-CD2 4.05Å; Y3-L164 HydrophobicContact CE2-CD2 3.63Å; F162-L164 HydrophobicContact CD2-CD2 4.15Å; F162-L164 HydrophobicContact CE2-CD2 3.64Å; F162-L164 HydrophobicContact CE2-CG 4.46Å; L164-H169 HydrophobicContact CD2-CB 4.14Å; L164-I171 HydrophobicContact CD1-CD1 4.47Å; L164-V226 HydrophobicContact CD1-CB 4.02Å; L164-V226 HydrophobicContact CD1-CG1 3.73Å; L164-V226 HydrophobicContact CD1-CG2 4.38Å; L164-P231 CarbonylContact O-C 3.53Å; L164-P231 WeakPolarHBondContact O-CA 3.45Å; L164-L232 HydrophobicContact CB-CB 4.45Å; L164-L232 WeakPolarHBondContact CB-O 3.48Å; L164-L232 PolarHBondContact N-O 3Å; L164-L232 PolarHBondContact O-N 3.31Å; L164-F234 HydrophobicContact CD1-CB 4.08Å; L164-F234 HydrophobicContact CD1-CD2 4.32Å; L164-F234 HydrophobicContact CG-CB 4.11Å |
| 165 | D | 96.9 | Very high | 97.5 | Very high | 52 Ų | 52 | 30.8 Ų | 30.8 | 28% | 0.278 | 17% | 0.17 | S | C | . | . | P | Polyproline II helix | trans | -77.6 | 172.9 | 170.1 | -61.9 | -58.3 | 0 | 0 | 0 | 110.8 | K145 G167 H169 C228 | K145-D165 WeakPolarHBondContact CD-OD1 3.26Å; K145-D165 WeakPolarHBondContact CE-OD1 3.27Å; K145-D165 WeakPolarHBondContact CE-OD2 3.45Å; K145-D165 IonicContact NZ-OD1 3.72Å; K145-D165 IonicContact NZ-OD2 2.68Å; K145-D165 PolarHBondContact NZ-OD2 2.92Å; D165-G167 PolarHBondContact O-N 3.36Å; D165-H169 PolarHBondContact O-NE2 3.3Å; D165-C228 PolarHBondContact O-SG 2.76Å |
| 166 | E | 97.3 | Very high | 97.4 | Very high | 129 Ų | 129 | 32.9 Ų | 32.9 | 60% | 0.603 | 19% | 0.191 | S | C | * | . | S | Bend | trans | -59.5 | 135.3 | 165.5 | 175.5 | 175 | 174.3 | 0 | 0 | 110.6 | N229 | E166-N229 WeakPolarHBondContact CG-O 3.34Š|
| 167 | G | 98.1 | Very high | 97.5 | Very high | 28 Ų | 28 | 34.6 Ų | 34.6 | 29% | 0.289 | 20% | 0.198 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 131.2 | -153.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | D165 K227 C228 | D165-G167 PolarHBondContact O-N 3.36Å; G167-K227 WeakPolarHBondContact O-CA 3.43Å; G167-C228 PolarHBondContact N-O 2.8Å; G167-C228 PolarHBondContact O-N 3.05Å |
| 168 | E | 98.5 | Very high | 97.6 | Very high | 128 Ų | 128 | 33.4 Ų | 33.4 | 60% | 0.598 | 19% | 0.192 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 131.6 | -177.3 | -66.3 | -178.6 | -170.8 | 0 | 0 | 110.8 | M1 K227 | M1-E168 PolarHBondContact N-O 3.03Å; E168-K227 HydrophobicContact CG-CB 4.04Å; E168-K227 HydrophobicContact CG-CD 3.88Å; E168-K227 HydrophobicContact CG-CG 3.78Å; E168-K227 WeakPolarHBondContact OE1-CD 3.42Å; E168-K227 WeakPolarHBondContact OE1-CE 3.3Å; E168-K227 IonicContact OE1-NZ 2.77Å; E168-K227 PolarHBondContact OE1-NZ 3.01Å |
| 169 | H | 98.7 | Very high | 97.7 | Very high | 9 Ų | 9 | 31.9 Ų | 31.9 | 4% | 0.042 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 145 | -175.9 | -51.7 | -76.5 | 0 | 0 | 0 | 111.6 | M1 Y3 L164 D165 H225 V226 | M1-H169 PolarHBondContact N-ND1 2.86Å; M1-H169 CarbonylContact O-C 3.53Å; M1-H169 VanDerWaalsContact O-CA 3.22Å; M1-H169 WeakPolarHBondContact O-CA 3.39Å; Y3-H169 HydrophobicContact CE2-CB 4.44Å; Y3-H169 AromaticContact CE2-ND1 3.76Å; L164-H169 HydrophobicContact CD2-CB 4.14Å; D165-H169 PolarHBondContact O-NE2 3.3Å; H169-H225 WeakPolarHBondContact O-CA 3.46Å; H169-V226 PolarHBondContact N-O 3.23Å; H169-V226 PolarHBondContact O-N 3.11Å |
| 170 | T | 98.7 | Very high | 97.6 | Very high | 35 Ų | 35 | 36.6 Ų | 36.6 | 22% | 0.215 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 126.5 | 171.3 | -58.1 | 0 | 0 | 0 | 0 | 107.6 | M1 I2 Y3 I223 V224 H225 | M1-T170 PolarHBondContact O-N 3.06Å; I2-T170 CarbonylContact C-O 3.55Å; I2-T170 WeakPolarHBondContact CA-O 3.5Å; Y3-T170 PolarHBondContact N-O 2.98Å; T170-I223 HydrophobicContact CG2-CG2 3.61Å; T170-V224 CarbonylContact C-O 3.6Å; T170-V224 WeakPolarHBondContact CA-O 3.46Å; T170-H225 PolarHBondContact OG1-CE1 2.67Å; T170-H225 PolarHBondContact OG1-ND1 3.37Å |
| 171 | I | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 112.5 | 179.5 | -58.9 | 163.4 | 0 | 0 | 0 | 106.8 | Y3 P5 F162 L164 V224 V226 F234 | Y3-I171 CarbonylContact O-C 3.58Å; Y3-I171 WeakPolarHBondContact O-CA 3.32Å; P5-I171 HydrophobicContact CG-CG2 4.04Å; F162-I171 HydrophobicContact CZ-CD1 4.35Å; F162-I171 HydrophobicContact CZ-CG1 4.49Å; L164-I171 HydrophobicContact CD1-CD1 4.47Å; I171-V224 HydrophobicContact CB-CB 4.23Å; I171-V224 PolarHBondContact N-O 3.11Å; I171-V224 PolarHBondContact O-N 3.28Å; I171-V226 HydrophobicContact CD1-CG2 3.88Å; I171-F234 HydrophobicContact CD1-CD1 4.15Å; I171-F234 HydrophobicContact CD1-CD2 3.41Å; I171-F234 VanDerWaalsContact CD1-CD2 3.41Å; I171-F234 HydrophobicContact CD1-CE1 4.04Å; I171-F234 HydrophobicContact CD1-CE2 3.34Å; I171-F234 HydrophobicContact CD1-CG 3.86Å; I171-F234 HydrophobicContact CD1-CZ 3.66Å; I171-F234 HydrophobicContact CG2-CE1 4.26Å; I171-F234 HydrophobicContact CG2-CZ 4.3Å |
| 172 | N | 98.4 | Very high | 97.6 | Very high | 31 Ų | 31 | 39.3 Ų | 39.3 | 17% | 0.166 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 113.7 | 176.1 | -60.5 | -37.6 | 0 | 0 | 0 | 108.8 | I2 Y3 T4 | I2-N172 WeakPolarHBondContact CG2-ND2 3.46Å; Y3-N172 PolarHBondContact O-N 2.79Å; T4-N172 HydrophobicContact CG2-CB 4.08Å; T4-N172 PolarHBondContact OG1-ND2 2.9Å; T4-N172 VanDerWaalsContact OG1-ND2 3.13Å |
| 173 | A | 97.8 | Very high | 97.6 | Very high | 8 Ų | 8 | 39.3 Ų | 39.3 | 7% | 0.066 | 22% | 0.216 | C | C | . | . | trans | -112.7 | 52.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | E178 L219 E222 M236 | A173-E178 VanDerWaalsContact C-OE1 3.25Å; A173-E178 WeakPolarHBondContact CA-OE1 3.37Å; A173-E178 HydrophobicContact CB-CG 3.91Å; A173-L219 HydrophobicContact CB-CD1 3.8Å; A173-L219 HydrophobicContact CB-CD2 3.93Å; A173-E222 CarbonylContact C-O 3.46Å; A173-E222 WeakPolarHBondContact CA-O 3.24Å; A173-E222 PolarHBondContact N-O 2.87Å; A173-M236 HydrophobicContact CB-CE 4.45Å | ||
| 174 | N | 96.9 | Very high | 97.6 | Very high | 76 Ų | 76 | 39 Ų | 39 | 41% | 0.406 | 21% | 0.214 | S | C | . | . | trans | -135.1 | 29.3 | -172 | 65.4 | -6.4 | 0 | 0 | 0 | 113.2 | E178 E222 | N174-E178 PolarHBondContact N-OE1 3.1Å; N174-E178 VanDerWaalsContact N-OE1 3.16Å; N174-E222 HydrophobicContact CB-CB 3.98Å; N174-E222 HydrophobicContact CB-CG 4.05Å | ||
| 175 | T | 96.1 | Very high | 97.6 | Very high | 17 Ų | 17 | 41.2 Ų | 41.2 | 10% | 0.104 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -84.1 | -21.3 | 179.7 | 66.8 | 0 | 0 | 0 | 0 | 113.2 | T4 L6 Y177 E178 | T4-T175 HydrophobicContact CG2-CG2 3.49Å; T4-T175 VanDerWaalsContact CG2-CG2 3.49Å; L6-T175 HydrophobicContact CB-CG2 4.2Å; L6-T175 WeakPolarHBondContact CB-OG1 3.31Å; T175-Y177 WeakPolarHBondContact OG1-CD2 3.46Å; T175-Y177 PolarHBondContact OG1-N 3.01Å; T175-E178 VanDerWaalsContact CB-OE1 3.29Å; T175-E178 WeakPolarHBondContact CB-OE1 3.26Å; T175-E178 WeakPolarHBondContact CG2-OE1 3.41Å; T175-E178 VanDerWaalsContact N-CD 3.3Å; T175-E178 PolarHBondContact N-OE1 2.99Å; T175-E178 PolarHBondContact N-OE2 3.08Å; T175-E178 PolarHBondContact OG1-OE1 2.81Å; T175-E178 PolarHBondContact OG1-OE2 2.79Å |
| 176 | G | 96 | Very high | 97.7 | Very high | 44 Ų | 44 | 38.8 Ų | 38.8 | 45% | 0.454 | 21% | 0.213 | S | C | . | . | S | Bend | trans | 98.2 | -20.2 | -171.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | E178 K239 | G176-E178 VanDerWaalsContact C-N 3.33Å; G176-E178 WeakPolarHBondContact CA-OE2 3.43Å; G176-E178 PolarHBondContact N-OE2 2.87Å; G176-K239 PolarHBondContact O-NZ 2.73Å |
| 177 | Y | 96.9 | Very high | 97.7 | Very high | 37 Ų | 37 | 35.1 Ų | 35.1 | 15% | 0.145 | 20% | 0.199 | C | C | . | . | trans | -83.3 | -9 | -179.8 | -61.6 | -71.3 | 0 | 0 | 0 | 113.4 | L6 F9 K10 R33 T175 A179 Y238 K239 M242 I243 | L6-Y177 VanDerWaalsContact CD1-C 3.49Å; F9-Y177 HydrophobicContact CB-CD1 4.23Å; F9-Y177 HydrophobicContact CB-CD2 3.84Å; F9-Y177 HydrophobicContact CB-CE1 4.07Å; F9-Y177 HydrophobicContact CB-CE2 3.65Å; F9-Y177 HydrophobicContact CB-CG 4.14Å; F9-Y177 HydrophobicContact CD2-CD1 4.34Å; F9-Y177 HydrophobicContact CD2-CD2 4.25Å; F9-Y177 AromaticContact CD2-CG 3.97Å; F9-Y177 HydrophobicContact CD2-CG 3.97Å; F9-Y177 PolarHBondContact O-OH 2.89Å; K10-Y177 HydrophobicContact CG-CE2 3.97Å; R33-Y177 PolarHBondContact NH2-OH 3.08Å; T175-Y177 WeakPolarHBondContact OG1-CD2 3.46Å; T175-Y177 PolarHBondContact OG1-N 3.01Å; Y177-A179 PolarHBondContact O-N 3.27Å; Y177-Y238 CarbonylContact O-C 3.5Å; Y177-Y238 VanDerWaalsContact O-CA 3.3Å; Y177-Y238 WeakPolarHBondContact O-CA 3.49Å; Y177-Y238 WeakPolarHBondContact O-CB 3.29Å; Y177-K239 PolarHBondContact O-N 3.07Å; Y177-M242 HydrophobicContact CD1-CB 3.85Å; Y177-M242 HydrophobicContact CE1-CB 4.18Å; Y177-M242 WeakPolarHBondContact CE1-O 3.49Å; Y177-I243 HydrophobicContact CD1-CG1 4.49Å | ||
| 178 | E | 97.2 | Very high | 97.6 | Very high | 16 Ų | 16 | 36.2 Ų | 36.2 | 8% | 0.075 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 129.2 | -175.6 | -65.2 | 74.2 | -163.9 | 0 | 0 | 111.2 | L6 A173 N174 T175 G176 L219 M236 K239 | L6-E178 HydrophobicContact CD1-CB 4.22Å; L6-E178 HydrophobicContact CD1-CG 3.77Å; A173-E178 VanDerWaalsContact C-OE1 3.25Å; A173-E178 WeakPolarHBondContact CA-OE1 3.37Å; A173-E178 HydrophobicContact CB-CG 3.91Å; N174-E178 PolarHBondContact N-OE1 3.1Å; N174-E178 VanDerWaalsContact N-OE1 3.16Å; T175-E178 VanDerWaalsContact CB-OE1 3.29Å; T175-E178 WeakPolarHBondContact CB-OE1 3.26Å; T175-E178 WeakPolarHBondContact CG2-OE1 3.41Å; T175-E178 VanDerWaalsContact N-CD 3.3Å; T175-E178 PolarHBondContact N-OE1 2.99Å; T175-E178 PolarHBondContact N-OE2 3.08Å; T175-E178 PolarHBondContact OG1-OE1 2.81Å; T175-E178 PolarHBondContact OG1-OE2 2.79Å; G176-E178 VanDerWaalsContact C-N 3.33Å; G176-E178 WeakPolarHBondContact CA-OE2 3.43Å; G176-E178 PolarHBondContact N-OE2 2.87Å; E178-L219 HydrophobicContact CB-CD1 3.98Å; E178-L219 HydrophobicContact CG-CD1 4.17Å; E178-M236 HydrophobicContact CG-CE 3.76Å; E178-K239 WeakPolarHBondContact O-CE 3.47Å; E178-K239 PolarHBondContact O-NZ 2.8Å |
| 179 | A | 96.4 | Very high | 97.5 | Very high | 16 Ų | 16 | 34 Ų | 34 | 13% | 0.132 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | -163.6 | 158.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | Y177 E237 K239 | Y177-A179 PolarHBondContact O-N 3.27Å; A179-E237 HydrophobicContact CB-CB 3.81Å; A179-E237 HydrophobicContact CB-CG 3.52Å; A179-E237 WeakPolarHBondContact CB-OE2 3.42Å; A179-E237 PolarHBondContact N-O 3.46Å; A179-E237 VanDerWaalsContact N-O 3.14Å; A179-K239 HydrophobicContact CB-CG 4.36Å |
| 180 | Q | 94.9 | Very high | 97.5 | Very high | 121 Ų | 121 | 37.2 Ų | 37.2 | 57% | 0.565 | 22% | 0.222 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -93.9 | -33.6 | -175.1 | -70.2 | -170.5 | -18.5 | 0 | 0 | 113.5 | R218 L219 | Q180-R218 HydrophobicContact CB-CG 4.45Å; Q180-R218 CarbonylContact O-C 3.47Å; Q180-R218 WeakPolarHBondContact O-CA 3.28Å; Q180-L219 PolarHBondContact O-N 3.32Å |
| 181 | H | 97.9 | Very high | 97.4 | Very high | 64 Ų | 64 | 35.6 Ų | 35.6 | 30% | 0.296 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 140.9 | -168.2 | -61.7 | 95.7 | 0 | 0 | 0 | 113.3 | N217 R218 E237 | H181-N217 CarbonylContact C-O 3.59Å; H181-N217 VanDerWaalsContact CA-O 3.32Å; H181-N217 WeakPolarHBondContact CA-O 3.39Å; H181-R218 PolarHBondContact NE2-NE 3.18Å; H181-E237 HydrophobicContact CB-CB 4.14Å; H181-E237 WeakPolarHBondContact CB-OE2 3.28Å; H181-E237 IonicContact CE1-OE2 2.67Å; H181-E237 IonicContact CG-OE2 2.79Å; H181-E237 PolarHBondContact N-OE2 3.08Å; H181-E237 IonicContact ND1-OE2 3.37Å; H181-E237 PolarHBondContact ND1-OE2 3.05Å; H181-E237 WeakPolarHBondContact O-CB 3.5Å; H181-E237 PolarHBondContact O-N 3.06Å |
| 182 | V | 98.6 | Very high | 97.4 | Very high | 6 Ų | 6 | 38.8 Ų | 38.8 | 4% | 0.036 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 164.9 | 170.2 | -55.1 | 0 | 0 | 0 | 0 | 110.4 | L198 N217 L219 F234 T235 M236 | V182-L198 HydrophobicContact CG2-CD1 4.46Å; V182-L198 HydrophobicContact CG2-CD2 3.67Å; V182-N217 HydrophobicContact CG2-CB 3.95Å; V182-N217 PolarHBondContact N-O 2.95Å; V182-N217 CarbonylContact O-C 3.57Å; V182-N217 WeakPolarHBondContact O-CA 3.42Å; V182-N217 WeakPolarHBondContact O-CB 3.46Å; V182-N217 PolarHBondContact O-N 2.91Å; V182-L219 HydrophobicContact CG1-CD2 3.69Å; V182-L219 HydrophobicContact CG1-CG 3.78Å; V182-F234 HydrophobicContact CB-CZ 4.14Å; V182-F234 HydrophobicContact CG1-CE1 4.48Å; V182-F234 HydrophobicContact CG1-CZ 4.16Å; V182-T235 CarbonylContact C-O 3.57Å; V182-T235 WeakPolarHBondContact CA-O 3.37Å; V182-T235 WeakPolarHBondContact CB-O 3.5Å; V182-M236 HydrophobicContact CG1-CB 3.81Å |
| 183 | G | 98.6 | Very high | 97.4 | Very high | 3 Ų | 3 | 37.3 Ų | 37.3 | 3% | 0.031 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 153.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | S214 F234 T235 | G183-S214 CarbonylContact C-O 3.53Å; G183-S214 WeakPolarHBondContact CA-O 3.3Å; G183-F234 WeakPolarHBondContact O-CA 3.49Å; G183-T235 PolarHBondContact N-O 3.24Å; G183-T235 PolarHBondContact O-N 2.63Å |
| 184 | L | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 114.4 | 175.2 | -54.3 | 158.9 | 0 | 0 | 0 | 108.5 | T195 L198 L202 L207 S214 V226 L232 L233 F234 | L184-T195 HydrophobicContact CD1-CG2 3.83Å; L184-L198 HydrophobicContact CD1-CD1 3.97Å; L184-L202 HydrophobicContact CD1-CD1 4.09Å; L184-L207 HydrophobicContact CB-CD1 3.58Å; L184-L207 HydrophobicContact CD1-CD1 4.34Å; L184-S214 PolarHBondContact N-O 2.84Å; L184-S214 PolarHBondContact O-N 3.43Å; L184-V226 HydrophobicContact CD2-CG1 4.39Å; L184-V226 HydrophobicContact CD2-CG2 4.36Å; L184-L232 HydrophobicContact CB-CD1 4.36Å; L184-L232 HydrophobicContact CB-CD2 4.16Å; L184-L232 HydrophobicContact CB-CG 4.41Å; L184-L232 HydrophobicContact CD2-CD2 3.92Å; L184-L233 CarbonylContact C-O 3.48Å; L184-L233 WeakPolarHBondContact CA-O 3.32Å; L184-F234 HydrophobicContact CD2-CD2 3.39Å; L184-F234 HydrophobicContact CD2-CE2 3.87Å; L184-F234 HydrophobicContact CD2-CG 4.41Å |
| 185 | I | 98.6 | Very high | 97.6 | Very high | 45 Ų | 45 | 36 Ų | 36 | 23% | 0.231 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 113.3 | -168.6 | -48 | 171.8 | 0 | 0 | 0 | 110.4 | V187 F209 V213 L233 T235 | I185-V187 VanDerWaalsContact C-N 3.27Å; I185-V187 HydrophobicContact CB-CG2 4.28Å; I185-V187 HydrophobicContact CG2-CG2 3.66Å; I185-V187 PolarHBondContact O-N 3.37Å; I185-F209 HydrophobicContact CG2-CE2 3.83Å; I185-F209 HydrophobicContact CG2-CZ 3.59Å; I185-V213 HydrophobicContact CB-CG1 4.34Å; I185-V213 HydrophobicContact CG1-CG1 4.06Å; I185-V213 HydrophobicContact CG2-CG1 4.11Å; I185-L233 HydrophobicContact CB-CB 4.14Å; I185-L233 HydrophobicContact CB-CD2 4.39Å; I185-L233 HydrophobicContact CD1-CD2 4.32Å; I185-L233 PolarHBondContact N-O 3.15Å; I185-L233 VanDerWaalsContact O-CB 3.27Å; I185-L233 WeakPolarHBondContact O-CB 3.26Å; I185-L233 PolarHBondContact O-N 2.97Å; I185-T235 HydrophobicContact CD1-CG2 4.33Å |
| 186 | P | 98.2 | Very high | 97.7 | Very high | 2 Ų | 2 | 38.6 Ų | 38.6 | 1% | 0.013 | 23% | 0.229 | C | C | . | . | trans | -84.2 | 62.2 | -176.8 | 36.5 | -37.9 | 0 | 0 | 0 | 111.5 | G188 Q189 C191 L207 F209 V213 L232 | P186-G188 PolarHBondContact O-N 3.35Å; P186-Q189 WeakPolarHBondContact CB-O 3.36Å; P186-C191 HydrophobicContact CB-CB 4.31Å; P186-L207 HydrophobicContact CB-CB 4.13Å; P186-L207 HydrophobicContact CG-CB 3.87Å; P186-F209 HydrophobicContact CG-CD2 4.22Å; P186-F209 HydrophobicContact CG-CE2 4.36Å; P186-V213 HydrophobicContact CG-CG2 4.49Å; P186-L232 HydrophobicContact CB-CD1 4.24Å | ||
| 187 | V | 97.3 | Very high | 97.8 | Very high | 51 Ų | 51 | 36.8 Ų | 36.8 | 31% | 0.309 | 21% | 0.21 | S | C | . | . | trans | -58.8 | -44.2 | -170.1 | -178.8 | 0 | 0 | 0 | 0 | 113.4 | I138 I185 L233 | I138-V187 HydrophobicContact CG2-CB 4.33Å; I138-V187 HydrophobicContact CG2-CG1 3.99Å; I138-V187 HydrophobicContact CG2-CG2 4.25Å; I185-V187 VanDerWaalsContact C-N 3.27Å; I185-V187 HydrophobicContact CB-CG2 4.28Å; I185-V187 HydrophobicContact CG2-CG2 3.66Å; I185-V187 PolarHBondContact O-N 3.37Å; V187-L233 HydrophobicContact CG2-CB 4.31Å; V187-L233 HydrophobicContact CG2-CD2 4.09Å | ||
| 188 | G | 95.7 | Very high | 97.9 | Very high | 52 Ų | 52 | 35 Ų | 35 | 54% | 0.536 | 20% | 0.203 | S | C | . | . | S | Bend | trans | -77.9 | -40.2 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y142 P186 | Y142-G188 PolarHBondContact OH-N 2.85Å; P186-G188 PolarHBondContact O-N 3.35Å |
| 189 | Q | 97 | Very high | 98 | Very high | 82 Ų | 82 | 39.2 Ų | 39.2 | 38% | 0.383 | 22% | 0.223 | S | C | . | . | S | Bend | trans | -169.2 | 161.3 | -174.8 | 52.6 | 178.1 | 89.8 | 0 | 0 | 111.3 | P186 R230 | P186-Q189 WeakPolarHBondContact CB-O 3.36Å; Q189-R230 HydrophobicContact CG-CB 4.32Å; Q189-R230 HydrophobicContact CG-CG 4.29Å; Q189-R230 VanDerWaalsContact NE2-NE 3.14Å |
| 190 | P | 98.2 | Very high | 98.1 | Very high | 76 Ų | 76 | 45 Ų | 45 | 49% | 0.494 | 24% | 0.241 | S | C | . | . | trans | -51.3 | 140.4 | 171.2 | -27.3 | 35 | 0 | 0 | 0 | 112.9 | L207 | P190-L207 CarbonylContact C-O 3.39Å; P190-L207 VanDerWaalsContact CA-O 3.31Å; P190-L207 WeakPolarHBondContact CA-O 3.47Å | ||
| 191 | C | 98.1 | Very high | 98.3 | Very high | 1 Ų | 1 | 42.9 Ų | 42.9 | 1% | 0.007 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 131.7 | -172.8 | -170.3 | 0 | 0 | 0 | 0 | 110.8 | P186 V193 L207 R230 | P186-C191 HydrophobicContact CB-CB 4.31Å; C191-V193 HydrophobicContact CB-CG2 4.13Å; C191-L207 PolarHBondContact N-O 2.9Å; C191-L207 PolarHBondContact O-N 3.42Å; C191-R230 HydrophobicContact CB-CB 4.19Å; C191-R230 PolarHBondContact SG-O 2.88Å; C191-R230 VanDerWaalsContact SG-O 3.41Å |
| 192 | Q | 98.4 | Very high | 98.3 | Very high | 66 Ų | 66 | 41.2 Ų | 41.2 | 31% | 0.308 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 126.6 | 168.4 | -63.9 | -63 | -18.2 | 0 | 0 | 108.8 | N204 G205 T206 C228 N229 | Q192-N204 PolarHBondContact OE1-O 2.97Å; Q192-G205 PolarHBondContact OE1-O 2.91Å; Q192-T206 VanDerWaalsContact CD-OG1 3.28Å; Q192-T206 PolarHBondContact NE2-OG1 3.42Å; Q192-T206 PolarHBondContact OE1-OG1 2.96Å; Q192-T206 VanDerWaalsContact OE1-OG1 3.06Å; Q192-C228 WeakPolarHBondContact O-CA 3.3Å; Q192-N229 HydrophobicContact CB-CB 4.46Å; Q192-N229 PolarHBondContact N-OD1 3.37Å; Q192-N229 PolarHBondContact O-N 3.31Å; Q192-N229 VanDerWaalsContact O-N 3.12Å; Q192-N229 PolarHBondContact O-OD1 3.43Å |
| 193 | V | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 133.9 | -170.4 | -171.8 | 0 | 0 | 0 | 0 | 111.1 | C191 T195 L202 N204 G205 L207 V226 K227 C228 L232 | C191-V193 HydrophobicContact CB-CG2 4.13Å; V193-T195 HydrophobicContact CG1-CG2 3.69Å; V193-L202 HydrophobicContact CB-CD1 3.92Å; V193-L202 HydrophobicContact CG1-CD1 3.88Å; V193-L202 WeakPolarHBondContact O-CB 3.28Å; V193-N204 PolarHBondContact O-N 3.02Å; V193-G205 PolarHBondContact N-O 3.42Å; V193-G205 PolarHBondContact O-N 3.27Å; V193-L207 HydrophobicContact CB-CD1 4.32Å; V193-L207 HydrophobicContact CB-CG 4.42Å; V193-L207 HydrophobicContact CG2-CB 4.46Å; V193-L207 HydrophobicContact CG2-CD1 3.85Å; V193-L207 HydrophobicContact CG2-CG 4.03Å; V193-V226 HydrophobicContact CG1-CG1 4.13Å; V193-K227 CarbonylContact C-O 3.59Å; V193-K227 VanDerWaalsContact CA-O 3.26Å; V193-K227 WeakPolarHBondContact CA-O 3.41Å; V193-C228 HydrophobicContact CG2-CB 4.26Å; V193-L232 HydrophobicContact CG1-CD2 4.07Å; V193-L232 HydrophobicContact CG2-CD2 3.77Å |
| 194 | T | 98.8 | Very high | 98.2 | Very high | 52 Ų | 52 | 54.9 Ų | 54.9 | 32% | 0.319 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 133.6 | 165.7 | -62.4 | 0 | 0 | 0 | 0 | 108.5 | L202 N204 K227 | T194-L202 CarbonylContact C-O 3.59Å; T194-L202 VanDerWaalsContact CA-O 3.26Å; T194-L202 WeakPolarHBondContact CA-O 3.33Å; T194-N204 WeakPolarHBondContact OG1-CA 3.3Å; T194-N204 PolarHBondContact OG1-N 3.34Å; T194-K227 PolarHBondContact N-O 3.15Å; T194-K227 PolarHBondContact O-N 3.2Å |
| 195 | T | 98.8 | Very high | 98.1 | Very high | 5 Ų | 5 | 55.8 Ų | 55.8 | 3% | 0.031 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 154.4 | 178.7 | 70.7 | 0 | 0 | 0 | 0 | 112.6 | L184 V193 L198 N201 L202 H225 V226 | L184-T195 HydrophobicContact CD1-CG2 3.83Å; V193-T195 HydrophobicContact CG1-CG2 3.69Å; T195-L198 HydrophobicContact CG2-CD1 4.22Å; T195-N201 WeakPolarHBondContact O-CB 3.32Å; T195-N201 PolarHBondContact O-OD1 3.5Å; T195-N201 VanDerWaalsContact OG1-CA 3.26Å; T195-N201 WeakPolarHBondContact OG1-CA 3.37Å; T195-N201 PolarHBondContact OG1-OD1 3.02Å; T195-N201 VanDerWaalsContact OG1-OD1 3.07Å; T195-L202 HydrophobicContact CG2-CB 4.47Å; T195-L202 HydrophobicContact CG2-CD1 4.34Å; T195-L202 PolarHBondContact N-O 3.14Å; T195-L202 PolarHBondContact OG1-N 3.47Å; T195-H225 CarbonylContact C-O 3.5Å; T195-H225 WeakPolarHBondContact CA-O 3.29Å; T195-H225 WeakPolarHBondContact CB-O 3.23Å; T195-V226 HydrophobicContact CG2-CG1 4.35Å; T195-V226 HydrophobicContact CG2-CG2 4.25Å |
| 196 | T | 98.8 | Very high | 98.1 | Very high | 71 Ų | 71 | 56.2 Ų | 56.2 | 44% | 0.436 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 160.6 | 162.6 | 68 | 0 | 0 | 0 | 0 | 109.8 | L198 N201 V224 H225 | T196-L198 VanDerWaalsContact C-N 3.31Å; T196-L198 PolarHBondContact O-N 3.45Å; T196-N201 WeakPolarHBondContact CA-OD1 3.48Å; T196-N201 PolarHBondContact N-OD1 2.99Å; T196-V224 WeakPolarHBondContact O-CA 3.4Å; T196-V224 WeakPolarHBondContact O-CG1 3.36Å; T196-H225 PolarHBondContact N-O 3.02Å; T196-H225 PolarHBondContact O-N 3.29Å; T196-H225 WeakPolarHBondContact OG1-CB 3.41Å; T196-H225 PolarHBondContact OG1-CD2 3.04Å; T196-H225 VanDerWaalsContact OG1-CD2 3.25Å |
| 197 | G | 98.5 | Very high | 98.1 | Very high | 6 Ų | 6 | 56.1 Ų | 56.1 | 6% | 0.062 | 31% | 0.307 | C | S | . | . | S | Bend | trans | 84.8 | -4.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | N201 S220 H221 | G197-N201 PolarHBondContact N-OD1 2.81Å; G197-S220 CarbonylContact O-C 3.58Å; G197-S220 WeakPolarHBondContact O-CA 3.21Å; G197-S220 WeakPolarHBondContact O-CB 3.3Å; G197-S220 PolarHBondContact O-N 2.91Å; G197-H221 PolarHBondContact O-N 2.85Å |
| 198 | L | 98.7 | Very high | 98.1 | Very high | 1 Ų | 1 | 54.1 Ų | 54.1 | 1% | 0.005 | 30% | 0.295 | C | S | . | . | B | Isolated β-bridge | trans | -94.7 | 160.1 | 173 | -56.4 | -175.2 | 0 | 0 | 0 | 111.8 | V182 L184 T195 T196 N201 R218 L219 V224 | V182-L198 HydrophobicContact CG2-CD1 4.46Å; V182-L198 HydrophobicContact CG2-CD2 3.67Å; L184-L198 HydrophobicContact CD1-CD1 3.97Å; T195-L198 HydrophobicContact CG2-CD1 4.22Å; T196-L198 VanDerWaalsContact C-N 3.31Å; T196-L198 PolarHBondContact O-N 3.45Å; L198-N201 WeakPolarHBondContact CB-OD1 3.33Å; L198-N201 PolarHBondContact N-OD1 2.85Å; L198-N201 PolarHBondContact O-ND2 3.44Å; L198-N201 PolarHBondContact O-OD1 3.01Å; L198-R218 CarbonylContact C-O 3.28Å; L198-R218 WeakPolarHBondContact CA-O 3.21Å; L198-L219 HydrophobicContact CD2-CD2 4.32Å; L198-V224 HydrophobicContact CD1-CG1 4.46Å; L198-V224 HydrophobicContact CD2-CB 4.35Å; L198-V224 HydrophobicContact CD2-CG1 3.65Å; L198-V224 HydrophobicContact CD2-CG2 3.69Å; L198-V224 HydrophobicContact CG-CG1 3.91Å |
| 199 | Q | 98.5 | Very high | 98.2 | Very high | 103 Ų | 103 | 58 Ų | 58 | 48% | 0.481 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -68.1 | -41.3 | 174.3 | 178.9 | 161.1 | 7 | 0 | 0 | 111.1 | R218 | Q199-R218 HydrophobicContact CB-CB 3.88Å; Q199-R218 PolarHBondContact N-O 2.89Å |
| 200 | W | 98.4 | Very high | 98.1 | Very high | 137 Ų | 137 | 61.6 Ų | 61.6 | 52% | 0.519 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -111.1 | 84.6 | 172.3 | -59.5 | -86.1 | 0 | 0 | 0 | 108.6 | S216 N217 R218 | W200-S216 VanDerWaalsContact CZ3-O 3.32Å; W200-S216 WeakPolarHBondContact CZ3-O 3.36Å; W200-N217 HydrophobicContact CE3-CB 4.27Å; W200-N217 PolarHBondContact N-OD1 3.38Å; W200-N217 PolarHBondContact O-ND2 3.41Å; W200-R218 HydrophobicContact CZ3-CB 4.12Å; W200-R218 HydrophobicContact CZ3-CG 3.98Å |
| 201 | N | 98.6 | Very high | 97.9 | Very high | 77 Ų | 77 | 63.4 Ų | 63.4 | 41% | 0.412 | 33% | 0.325 | S | S | . | . | trans | -72.2 | 150.2 | 175.9 | -73.6 | -53.5 | 0 | 0 | 0 | 111.7 | T195 T196 G197 L198 | T195-N201 WeakPolarHBondContact O-CB 3.32Å; T195-N201 PolarHBondContact O-OD1 3.5Å; T195-N201 VanDerWaalsContact OG1-CA 3.26Å; T195-N201 WeakPolarHBondContact OG1-CA 3.37Å; T195-N201 PolarHBondContact OG1-OD1 3.02Å; T195-N201 VanDerWaalsContact OG1-OD1 3.07Å; T196-N201 WeakPolarHBondContact CA-OD1 3.48Å; T196-N201 PolarHBondContact N-OD1 2.99Å; G197-N201 PolarHBondContact N-OD1 2.81Å; L198-N201 WeakPolarHBondContact CB-OD1 3.33Å; L198-N201 PolarHBondContact N-OD1 2.85Å; L198-N201 PolarHBondContact O-ND2 3.44Å; L198-N201 PolarHBondContact O-OD1 3.01Å | ||
| 202 | L | 98.2 | Very high | 97.8 | Very high | 29 Ų | 29 | 67.3 Ų | 67.3 | 15% | 0.152 | 35% | 0.345 | C | S | . | . | trans | -103.1 | 136.1 | 174 | -61.5 | 163.6 | 0 | 0 | 0 | 109.2 | L184 V193 T194 T195 L207 | L184-L202 HydrophobicContact CD1-CD1 4.09Å; V193-L202 HydrophobicContact CB-CD1 3.92Å; V193-L202 HydrophobicContact CG1-CD1 3.88Å; V193-L202 WeakPolarHBondContact O-CB 3.28Å; T194-L202 CarbonylContact C-O 3.59Å; T194-L202 VanDerWaalsContact CA-O 3.26Å; T194-L202 WeakPolarHBondContact CA-O 3.33Å; T195-L202 HydrophobicContact CG2-CB 4.47Å; T195-L202 HydrophobicContact CG2-CD1 4.34Å; T195-L202 PolarHBondContact N-O 3.14Å; T195-L202 PolarHBondContact OG1-N 3.47Å; L202-L207 HydrophobicContact CD1-CD1 3.91Å; L202-L207 HydrophobicContact CD1-CD2 3.83Å; L202-L207 HydrophobicContact CD1-CG 3.94Å; L202-L207 HydrophobicContact CD2-CD2 4.38Å | ||
| 203 | E | 97.8 | Very high | 97.8 | Very high | 182 Ų | 182 | 66 Ų | 66 | 85% | 0.85 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -115.6 | 95.7 | 171.4 | -174.5 | 175.6 | -173 | 0 | 0 | 108.4 | G205 | E203-G205 PolarHBondContact O-N 2.92Å; E203-G205 VanDerWaalsContact O-N 3.17Å |
| 204 | N | 97.1 | Very high | 97.8 | Very high | 114 Ų | 114 | 66.6 Ų | 66.6 | 61% | 0.61 | 35% | 0.346 | S | S | * | . | S | Bend | trans | 48.5 | 41.6 | -173 | -167 | 57 | 0 | 0 | 0 | 112.5 | Q192 V193 T194 | Q192-N204 PolarHBondContact OE1-O 2.97Å; V193-N204 PolarHBondContact O-N 3.02Å; T194-N204 WeakPolarHBondContact OG1-CA 3.3Å; T194-N204 PolarHBondContact OG1-N 3.34Å |
| 205 | G | 97.5 | Very high | 97.7 | Very high | 19 Ų | 19 | 68.2 Ų | 68.2 | 20% | 0.196 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 147.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q192 V193 E203 | Q192-G205 PolarHBondContact OE1-O 2.91Å; V193-G205 PolarHBondContact N-O 3.42Å; V193-G205 PolarHBondContact O-N 3.27Å; E203-G205 PolarHBondContact O-N 2.92Å; E203-G205 VanDerWaalsContact O-N 3.17Å |
| 206 | T | 98.1 | Very high | 97.6 | Very high | 54 Ų | 54 | 72 Ų | 72 | 33% | 0.331 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 121.9 | 175 | -54.8 | 0 | 0 | 0 | 0 | 109.9 | Q192 | Q192-T206 VanDerWaalsContact CD-OG1 3.28Å; Q192-T206 PolarHBondContact NE2-OG1 3.42Å; Q192-T206 PolarHBondContact OE1-OG1 2.96Å; Q192-T206 VanDerWaalsContact OE1-OG1 3.06Å |
| 207 | L | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 68.8 Ų | 68.8 | 0% | 0 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 127.3 | 165.4 | -62.1 | -175.1 | 0 | 0 | 0 | 109.4 | L184 P186 P190 C191 V193 L202 I212 L232 | L184-L207 HydrophobicContact CB-CD1 3.58Å; L184-L207 HydrophobicContact CD1-CD1 4.34Å; P186-L207 HydrophobicContact CB-CB 4.13Å; P186-L207 HydrophobicContact CG-CB 3.87Å; P190-L207 CarbonylContact C-O 3.39Å; P190-L207 VanDerWaalsContact CA-O 3.31Å; P190-L207 WeakPolarHBondContact CA-O 3.47Å; C191-L207 PolarHBondContact N-O 2.9Å; C191-L207 PolarHBondContact O-N 3.42Å; V193-L207 HydrophobicContact CB-CD1 4.32Å; V193-L207 HydrophobicContact CB-CG 4.42Å; V193-L207 HydrophobicContact CG2-CB 4.46Å; V193-L207 HydrophobicContact CG2-CD1 3.85Å; V193-L207 HydrophobicContact CG2-CG 4.03Å; L202-L207 HydrophobicContact CD1-CD1 3.91Å; L202-L207 HydrophobicContact CD1-CD2 3.83Å; L202-L207 HydrophobicContact CD1-CG 3.94Å; L202-L207 HydrophobicContact CD2-CD2 4.38Å; L207-I212 CarbonylContact C-O 3.55Å; L207-I212 WeakPolarHBondContact CA-O 3.12Å; L207-I212 HydrophobicContact CD2-CB 4.21Å; L207-I212 HydrophobicContact CD2-CG2 3.8Å; L207-I212 WeakPolarHBondContact CD2-O 3.26Å; L207-L232 HydrophobicContact CD1-CD1 4.09Å; L207-L232 HydrophobicContact CD1-CD2 4.47Å |
| 208 | S | 98.2 | Very high | 97.6 | Very high | 10 Ų | 10 | 72.8 Ų | 72.8 | 7% | 0.07 | 38% | 0.379 | C | S | . | . | trans | -156 | 157.6 | 172.1 | 76.1 | 0 | 0 | 0 | 0 | 110.8 | D210 D211 I212 | S208-D210 PolarHBondContact O-N 3.2Å; S208-D210 PolarHBondContact OG-N 3.26Å; S208-D211 CarbonylContact O-C 3.56Å; S208-D211 PolarHBondContact O-N 3.32Å; S208-D211 WeakPolarHBondContact OG-CB 3.4Å; S208-D211 PolarHBondContact OG-N 3.39Å; S208-I212 PolarHBondContact N-O 3.41Å; S208-I212 CarbonylContact O-C 3.58Å; S208-I212 VanDerWaalsContact O-C 3.28Å; S208-I212 PolarHBondContact O-N 3.01Å; S208-I212 VanDerWaalsContact O-O 3.08Å | ||
| 209 | F | 97.3 | Very high | 97.6 | Very high | 133 Ų | 133 | 74.4 Ų | 74.4 | 58% | 0.583 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.3 | -15.4 | 172.3 | -82.7 | -96.2 | 0 | 0 | 0 | 113.3 | I185 P186 D211 V213 | I185-F209 HydrophobicContact CG2-CE2 3.83Å; I185-F209 HydrophobicContact CG2-CZ 3.59Å; P186-F209 HydrophobicContact CG-CD2 4.22Å; P186-F209 HydrophobicContact CG-CE2 4.36Å; F209-D211 VanDerWaalsContact C-N 3.33Å; F209-V213 HydrophobicContact CD1-CG2 4.23Å; F209-V213 HydrophobicContact CD2-CG2 4.35Å; F209-V213 HydrophobicContact CE1-CG2 4.36Å; F209-V213 HydrophobicContact CE2-CG2 4.45Å; F209-V213 HydrophobicContact CG-CG2 4.24Å; F209-V213 HydrophobicContact CZ-CG2 4.47Å |
| 210 | D | 95.6 | Very high | 97.5 | Very high | 157 Ų | 157 | 72.8 Ų | 72.8 | 84% | 0.84 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.3 | -7 | 174.1 | -63.4 | -43 | 0 | 0 | 0 | 112.9 | S208 | S208-D210 PolarHBondContact O-N 3.2Å; S208-D210 PolarHBondContact OG-N 3.26Å |
| 211 | D | 92.9 | Very high | 97.5 | Very high | 114 Ų | 114 | 72 Ų | 72 | 61% | 0.61 | 39% | 0.389 | S | S | * | . | S | Bend | trans | -144.4 | -108.8 | -176.9 | -171.1 | 17.9 | 0 | 0 | 0 | 109.9 | S208 F209 | S208-D211 CarbonylContact O-C 3.56Å; S208-D211 PolarHBondContact O-N 3.32Å; S208-D211 WeakPolarHBondContact OG-CB 3.4Å; S208-D211 PolarHBondContact OG-N 3.39Å; F209-D211 VanDerWaalsContact C-N 3.33Å |
| 212 | I | 95.8 | Very high | 97.4 | Very high | 83 Ų | 83 | 74.5 Ų | 74.5 | 43% | 0.426 | 40% | 0.399 | S | S | . | . | B | Isolated β-bridge | trans | -96.2 | 125.5 | -176.8 | -58.8 | 175.6 | 0 | 0 | 0 | 110.9 | L207 S208 | L207-I212 CarbonylContact C-O 3.55Å; L207-I212 WeakPolarHBondContact CA-O 3.12Å; L207-I212 HydrophobicContact CD2-CB 4.21Å; L207-I212 HydrophobicContact CD2-CG2 3.8Å; L207-I212 WeakPolarHBondContact CD2-O 3.26Å; S208-I212 PolarHBondContact N-O 3.41Å; S208-I212 CarbonylContact O-C 3.58Å; S208-I212 VanDerWaalsContact O-C 3.28Å; S208-I212 PolarHBondContact O-N 3.01Å; S208-I212 VanDerWaalsContact O-O 3.08Å |
| 213 | V | 98.3 | Very high | 97.4 | Very high | 40 Ų | 40 | 76.7 Ų | 76.7 | 24% | 0.242 | 41% | 0.41 | C | S | . | . | trans | -105.4 | 128.9 | 153.9 | 178.1 | 0 | 0 | 0 | 0 | 107.2 | I185 P186 F209 S215 | I185-V213 HydrophobicContact CB-CG1 4.34Å; I185-V213 HydrophobicContact CG1-CG1 4.06Å; I185-V213 HydrophobicContact CG2-CG1 4.11Å; P186-V213 HydrophobicContact CG-CG2 4.49Å; F209-V213 HydrophobicContact CD1-CG2 4.23Å; F209-V213 HydrophobicContact CD2-CG2 4.35Å; F209-V213 HydrophobicContact CE1-CG2 4.36Å; F209-V213 HydrophobicContact CE2-CG2 4.45Å; F209-V213 HydrophobicContact CG-CG2 4.24Å; F209-V213 HydrophobicContact CZ-CG2 4.47Å; V213-S215 PolarHBondContact O-N 2.98Å | ||
| 214 | S | 98.4 | Very high | 97.5 | Very high | 12 Ų | 12 | 68 Ų | 68 | 8% | 0.084 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 75.5 | 179.9 | -171.2 | 0 | 0 | 0 | 0 | 109.2 | G183 L184 N217 | G183-S214 CarbonylContact C-O 3.53Å; G183-S214 WeakPolarHBondContact CA-O 3.3Å; L184-S214 PolarHBondContact N-O 2.84Å; L184-S214 PolarHBondContact O-N 3.43Å; S214-N217 PolarHBondContact OG-ND2 3.21Å |
| 215 | S | 97.2 | Very high | 97.6 | Very high | 85 Ų | 85 | 66.7 Ų | 66.7 | 59% | 0.594 | 36% | 0.359 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94 | 147 | 174.8 | 57.4 | 0 | 0 | 0 | 0 | 111 | V213 N217 | V213-S215 PolarHBondContact O-N 2.98Å; S215-N217 PolarHBondContact O-N 3.45Å |
| 216 | S | 97.2 | Very high | 97.6 | Very high | 86 Ų | 86 | 65.9 Ų | 65.9 | 60% | 0.601 | 35% | 0.35 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 57.5 | 28.2 | 180 | -55.2 | 0 | 0 | 0 | 0 | 114 | W200 | W200-S216 VanDerWaalsContact CZ3-O 3.32Å; W200-S216 WeakPolarHBondContact CZ3-O 3.36Å |
| 217 | N | 98.5 | Very high | 97.7 | Very high | 3 Ų | 3 | 68.4 Ų | 68.4 | 2% | 0.016 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 169.2 | 168.9 | -155.8 | -34.5 | 0 | 0 | 0 | 109.2 | H181 V182 W200 S214 S215 | H181-N217 CarbonylContact C-O 3.59Å; H181-N217 VanDerWaalsContact CA-O 3.32Å; H181-N217 WeakPolarHBondContact CA-O 3.39Å; V182-N217 HydrophobicContact CG2-CB 3.95Å; V182-N217 PolarHBondContact N-O 2.95Å; V182-N217 CarbonylContact O-C 3.57Å; V182-N217 WeakPolarHBondContact O-CA 3.42Å; V182-N217 WeakPolarHBondContact O-CB 3.46Å; V182-N217 PolarHBondContact O-N 2.91Å; W200-N217 HydrophobicContact CE3-CB 4.27Å; W200-N217 PolarHBondContact N-OD1 3.38Å; W200-N217 PolarHBondContact O-ND2 3.41Å; S214-N217 PolarHBondContact OG-ND2 3.21Å; S215-N217 PolarHBondContact O-N 3.45Å |
| 218 | R | 98.5 | Very high | 97.7 | Very high | 90 Ų | 90 | 68.5 Ų | 68.5 | 34% | 0.34 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 148.9 | -176.8 | -72.8 | 174.3 | 179 | -178.4 | 3.6 | 112.3 | Q180 H181 L198 Q199 W200 S220 | Q180-R218 HydrophobicContact CB-CG 4.45Å; Q180-R218 CarbonylContact O-C 3.47Å; Q180-R218 WeakPolarHBondContact O-CA 3.28Å; H181-R218 PolarHBondContact NE2-NE 3.18Å; L198-R218 CarbonylContact C-O 3.28Å; L198-R218 WeakPolarHBondContact CA-O 3.21Å; Q199-R218 HydrophobicContact CB-CB 3.88Å; Q199-R218 PolarHBondContact N-O 2.89Å; W200-R218 HydrophobicContact CZ3-CB 4.12Å; W200-R218 HydrophobicContact CZ3-CG 3.98Å; R218-S220 PolarHBondContact O-N 3.13Å |
| 219 | L | 98.4 | Very high | 97.7 | Very high | 34 Ų | 34 | 70.9 Ų | 70.9 | 18% | 0.178 | 37% | 0.369 | C | S | . | . | B | Isolated β-bridge | trans | -65.2 | 126.9 | 166.8 | -63.6 | 174.5 | 0 | 0 | 0 | 109.4 | A173 E178 Q180 V182 L198 V224 | A173-L219 HydrophobicContact CB-CD1 3.8Å; A173-L219 HydrophobicContact CB-CD2 3.93Å; E178-L219 HydrophobicContact CB-CD1 3.98Å; E178-L219 HydrophobicContact CG-CD1 4.17Å; Q180-L219 PolarHBondContact O-N 3.32Å; V182-L219 HydrophobicContact CG1-CD2 3.69Å; V182-L219 HydrophobicContact CG1-CG 3.78Å; L198-L219 HydrophobicContact CD2-CD2 4.32Å; L219-V224 HydrophobicContact CD2-CG2 3.57Å |
| 220 | S | 97.8 | Very high | 97.7 | Very high | 69 Ų | 69 | 69.7 Ų | 69.7 | 48% | 0.483 | 36% | 0.361 | S | S | . | . | trans | -106.1 | -22 | 169.4 | 178.4 | 0 | 0 | 0 | 0 | 112 | G197 R218 | G197-S220 CarbonylContact O-C 3.58Å; G197-S220 WeakPolarHBondContact O-CA 3.21Å; G197-S220 WeakPolarHBondContact O-CB 3.3Å; G197-S220 PolarHBondContact O-N 2.91Å; R218-S220 PolarHBondContact O-N 3.13Å | ||
| 221 | H | 97.3 | Very high | 97.8 | Very high | 120 Ų | 120 | 64 Ų | 64 | 56% | 0.556 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -138.5 | 161.4 | 180 | -64.5 | 74 | 0 | 0 | 0 | 110.2 | G197 I223 | G197-H221 PolarHBondContact O-N 2.85Å; H221-I223 PolarHBondContact O-N 3.46Å |
| 222 | E | 97.6 | Very high | 98.1 | Very high | 130 Ų | 130 | 58.5 Ų | 58.5 | 61% | 0.607 | 30% | 0.303 | S | S | * | . | S | Bend | trans | -68.4 | -18.9 | 174.5 | -78.8 | -174.3 | -179 | 0 | 0 | 113.9 | A173 N174 | A173-E222 CarbonylContact C-O 3.46Å; A173-E222 WeakPolarHBondContact CA-O 3.24Å; A173-E222 PolarHBondContact N-O 2.87Å; N174-E222 HydrophobicContact CB-CB 3.98Å; N174-E222 HydrophobicContact CB-CG 4.05Å |
| 223 | I | 98.4 | Very high | 98.2 | Very high | 76 Ų | 76 | 54.9 Ų | 54.9 | 39% | 0.39 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 122.2 | 177.9 | -57.6 | 177.9 | 0 | 0 | 0 | 107.6 | T170 H221 | T170-I223 HydrophobicContact CG2-CG2 3.61Å; H221-I223 PolarHBondContact O-N 3.46Å |
| 224 | V | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 129.9 | 175 | 176.1 | 0 | 0 | 0 | 0 | 108.3 | T170 I171 T196 L198 L219 V226 | T170-V224 CarbonylContact C-O 3.6Å; T170-V224 WeakPolarHBondContact CA-O 3.46Å; I171-V224 HydrophobicContact CB-CB 4.23Å; I171-V224 PolarHBondContact N-O 3.11Å; I171-V224 PolarHBondContact O-N 3.28Å; T196-V224 WeakPolarHBondContact O-CA 3.4Å; T196-V224 WeakPolarHBondContact O-CG1 3.36Å; L198-V224 HydrophobicContact CD1-CG1 4.46Å; L198-V224 HydrophobicContact CD2-CB 4.35Å; L198-V224 HydrophobicContact CD2-CG1 3.65Å; L198-V224 HydrophobicContact CD2-CG2 3.69Å; L198-V224 HydrophobicContact CG-CG1 3.91Å; L219-V224 HydrophobicContact CD2-CG2 3.57Å; V224-V226 HydrophobicContact CG1-CG2 3.94Å |
| 225 | H | 98.8 | Very high | 98.2 | Very high | 85 Ų | 85 | 53.8 Ų | 53.8 | 39% | 0.394 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 136.5 | 169 | -60.9 | -83.8 | 0 | 0 | 0 | 109.6 | H169 T170 T195 T196 | H169-H225 WeakPolarHBondContact O-CA 3.46Å; T170-H225 PolarHBondContact OG1-CE1 2.67Å; T170-H225 PolarHBondContact OG1-ND1 3.37Å; T195-H225 CarbonylContact C-O 3.5Å; T195-H225 WeakPolarHBondContact CA-O 3.29Å; T195-H225 WeakPolarHBondContact CB-O 3.23Å; T196-H225 PolarHBondContact N-O 3.02Å; T196-H225 PolarHBondContact O-N 3.29Å; T196-H225 WeakPolarHBondContact OG1-CB 3.41Å; T196-H225 PolarHBondContact OG1-CD2 3.04Å; T196-H225 VanDerWaalsContact OG1-CD2 3.25Å |
| 226 | V | 98.8 | Very high | 98.3 | Very high | 2 Ų | 2 | 49.8 Ų | 49.8 | 1% | 0.012 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 119.4 | 175.9 | -176.8 | 0 | 0 | 0 | 0 | 108.4 | L164 H169 I171 L184 V193 T195 V224 L232 F234 | L164-V226 HydrophobicContact CD1-CB 4.02Å; L164-V226 HydrophobicContact CD1-CG1 3.73Å; L164-V226 HydrophobicContact CD1-CG2 4.38Å; H169-V226 PolarHBondContact N-O 3.23Å; H169-V226 PolarHBondContact O-N 3.11Å; I171-V226 HydrophobicContact CD1-CG2 3.88Å; L184-V226 HydrophobicContact CD2-CG1 4.39Å; L184-V226 HydrophobicContact CD2-CG2 4.36Å; V193-V226 HydrophobicContact CG1-CG1 4.13Å; T195-V226 HydrophobicContact CG2-CG1 4.35Å; T195-V226 HydrophobicContact CG2-CG2 4.25Å; V224-V226 HydrophobicContact CG1-CG2 3.94Å; V226-L232 HydrophobicContact CG1-CD2 4.12Å; V226-F234 HydrophobicContact CG2-CD2 4.41Å; V226-F234 HydrophobicContact CG2-CE2 4.31Å |
| 227 | K | 98.8 | Very high | 98.3 | Very high | 107 Ų | 107 | 49.3 Ų | 49.3 | 47% | 0.465 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 122.5 | 167.1 | -179.8 | 172.7 | -173.1 | 151.5 | 0 | 108.2 | G167 E168 V193 T194 | G167-K227 WeakPolarHBondContact O-CA 3.43Å; E168-K227 HydrophobicContact CG-CB 4.04Å; E168-K227 HydrophobicContact CG-CD 3.88Å; E168-K227 HydrophobicContact CG-CG 3.78Å; E168-K227 WeakPolarHBondContact OE1-CD 3.42Å; E168-K227 WeakPolarHBondContact OE1-CE 3.3Å; E168-K227 IonicContact OE1-NZ 2.77Å; E168-K227 PolarHBondContact OE1-NZ 3.01Å; V193-K227 CarbonylContact C-O 3.59Å; V193-K227 VanDerWaalsContact CA-O 3.26Å; V193-K227 WeakPolarHBondContact CA-O 3.41Å; T194-K227 PolarHBondContact N-O 3.15Å; T194-K227 PolarHBondContact O-N 3.2Å |
| 228 | C | 98.5 | Very high | 98.2 | Very high | 2 Ų | 2 | 49.4 Ų | 49.4 | 1% | 0.014 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 139.4 | 178.8 | 49.2 | 0 | 0 | 0 | 0 | 110.4 | D165 G167 Q192 V193 R230 L232 | D165-C228 PolarHBondContact O-SG 2.76Å; G167-C228 PolarHBondContact N-O 2.8Å; G167-C228 PolarHBondContact O-N 3.05Å; Q192-C228 WeakPolarHBondContact O-CA 3.3Å; V193-C228 HydrophobicContact CG2-CB 4.26Å; C228-R230 VanDerWaalsContact C-N 3.32Å; C228-L232 HydrophobicContact CB-CB 4.2Å; C228-L232 HydrophobicContact CB-CD2 4.01Å |
| 229 | N | 98.2 | Very high | 98.1 | Very high | 60 Ų | 60 | 49.2 Ų | 49.2 | 32% | 0.321 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -88.3 | 0 | 179.2 | 75.4 | -20.7 | 0 | 0 | 0 | 113.6 | E166 Q192 | E166-N229 WeakPolarHBondContact CG-O 3.34Å; Q192-N229 HydrophobicContact CB-CB 4.46Å; Q192-N229 PolarHBondContact N-OD1 3.37Å; Q192-N229 PolarHBondContact O-N 3.31Å; Q192-N229 VanDerWaalsContact O-N 3.12Å; Q192-N229 PolarHBondContact O-OD1 3.43Å |
| 230 | R | 97.9 | Very high | 97.6 | Very high | 109 Ų | 109 | 51.6 Ų | 51.6 | 41% | 0.411 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -148.7 | 162.9 | 179.5 | -62.2 | -62.5 | 179.1 | 159.2 | 1.9 | 109.5 | Q189 C191 C228 L232 | Q189-R230 HydrophobicContact CG-CB 4.32Å; Q189-R230 HydrophobicContact CG-CG 4.29Å; Q189-R230 VanDerWaalsContact NE2-NE 3.14Å; C191-R230 HydrophobicContact CB-CB 4.19Å; C191-R230 PolarHBondContact SG-O 2.88Å; C191-R230 VanDerWaalsContact SG-O 3.41Å; C228-R230 VanDerWaalsContact C-N 3.32Å; R230-L232 PolarHBondContact O-N 2.88Å |
| 231 | P | 97.9 | Very high | 97 | Very high | 36 Ų | 36 | 53.1 Ų | 53.1 | 23% | 0.234 | 26% | 0.255 | C | S | . | . | trans | -53.2 | 134.3 | 173.5 | -26.8 | 35.2 | 0 | 0 | 0 | 112.1 | Y142 L163 L164 | Y142-P231 HydrophobicContact CD1-CB 4.5Å; Y142-P231 HydrophobicContact CE1-CB 3.69Å; Y142-P231 HydrophobicContact CE1-CG 4.23Å; L163-P231 HydrophobicContact CD1-CB 4.07Å; L163-P231 HydrophobicContact CD2-CB 4.36Å; L163-P231 HydrophobicContact CG-CB 4.32Å; L164-P231 CarbonylContact O-C 3.53Å; L164-P231 WeakPolarHBondContact O-CA 3.45Å | ||
| 232 | L | 98.7 | Very high | 96.3 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 125.6 | -173.3 | -176.2 | 64.6 | 0 | 0 | 0 | 109.8 | L164 L184 P186 V193 L207 V226 C228 R230 F234 | L164-L232 HydrophobicContact CB-CB 4.45Å; L164-L232 WeakPolarHBondContact CB-O 3.48Å; L164-L232 PolarHBondContact N-O 3Å; L164-L232 PolarHBondContact O-N 3.31Å; L184-L232 HydrophobicContact CB-CD1 4.36Å; L184-L232 HydrophobicContact CB-CD2 4.16Å; L184-L232 HydrophobicContact CB-CG 4.41Å; L184-L232 HydrophobicContact CD2-CD2 3.92Å; P186-L232 HydrophobicContact CB-CD1 4.24Å; V193-L232 HydrophobicContact CG1-CD2 4.07Å; V193-L232 HydrophobicContact CG2-CD2 3.77Å; L207-L232 HydrophobicContact CD1-CD1 4.09Å; L207-L232 HydrophobicContact CD1-CD2 4.47Å; V226-L232 HydrophobicContact CG1-CD2 4.12Å; C228-L232 HydrophobicContact CB-CB 4.2Å; C228-L232 HydrophobicContact CB-CD2 4.01Å; R230-L232 PolarHBondContact O-N 2.88Å; L232-F234 PolarHBondContact O-N 2.74Å |
| 233 | L | 98.6 | Very high | 95.4 | Very high | 7 Ų | 7 | 45.6 Ų | 45.6 | 4% | 0.037 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 124 | 176.6 | -162.4 | 75.9 | 0 | 0 | 0 | 108.7 | I138 L141 T161 L163 L184 I185 V187 | I138-L233 HydrophobicContact CD1-CD1 4.24Å; I138-L233 HydrophobicContact CD1-CD2 3.84Å; I138-L233 HydrophobicContact CG2-CD1 4.41Å; L141-L233 HydrophobicContact CD1-CD1 3.59Å; T161-L233 HydrophobicContact CG2-CD1 3.74Å; T161-L233 HydrophobicContact CG2-CD2 3.71Å; T161-L233 HydrophobicContact CG2-CG 3.63Å; L163-L233 HydrophobicContact CD1-CD1 4.37Å; L184-L233 CarbonylContact C-O 3.48Å; L184-L233 WeakPolarHBondContact CA-O 3.32Å; I185-L233 HydrophobicContact CB-CB 4.14Å; I185-L233 HydrophobicContact CB-CD2 4.39Å; I185-L233 HydrophobicContact CD1-CD2 4.32Å; I185-L233 PolarHBondContact N-O 3.15Å; I185-L233 VanDerWaalsContact O-CB 3.27Å; I185-L233 WeakPolarHBondContact O-CB 3.26Å; I185-L233 PolarHBondContact O-N 2.97Å; V187-L233 HydrophobicContact CG2-CB 4.31Å; V187-L233 HydrophobicContact CG2-CD2 4.09Å |
| 234 | F | 98.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 131.4 | 171.6 | -170 | -81.9 | 0 | 0 | 0 | 108.5 | T161 F162 L164 I171 V182 G183 L184 V226 L232 M236 | T161-F234 CarbonylContact C-O 3.55Å; T161-F234 WeakPolarHBondContact CA-O 3.39Å; F162-F234 HydrophobicContact CD1-CD1 4.45Å; F162-F234 HydrophobicContact CE1-CB 4.24Å; F162-F234 AromaticContact CE1-CD1 3.48Å; F162-F234 HydrophobicContact CE1-CD1 3.48Å; F162-F234 VanDerWaalsContact CE1-CD1 3.48Å; F162-F234 HydrophobicContact CE1-CE1 4.26Å; F162-F234 HydrophobicContact CE1-CG 4.22Å; F162-F234 HydrophobicContact CE2-CB 4.14Å; F162-F234 HydrophobicContact CE2-CD1 4.43Å; F162-F234 HydrophobicContact CE2-CG 4.48Å; F162-F234 HydrophobicContact CZ-CB 3.96Å; F162-F234 AromaticContact CZ-CD1 3.46Å; F162-F234 HydrophobicContact CZ-CD1 3.46Å; F162-F234 VanDerWaalsContact CZ-CD1 3.46Å; F162-F234 HydrophobicContact CZ-CE1 4.2Å; F162-F234 AromaticContact CZ-CG 3.9Å; F162-F234 HydrophobicContact CZ-CG 3.9Å; F162-F234 PolarHBondContact N-O 3.16Å; F162-F234 PolarHBondContact O-N 3.2Å; L164-F234 HydrophobicContact CD1-CB 4.08Å; L164-F234 HydrophobicContact CD1-CD2 4.32Å; L164-F234 HydrophobicContact CG-CB 4.11Å; I171-F234 HydrophobicContact CD1-CD1 4.15Å; I171-F234 HydrophobicContact CD1-CD2 3.41Å; I171-F234 VanDerWaalsContact CD1-CD2 3.41Å; I171-F234 HydrophobicContact CD1-CE1 4.04Å; I171-F234 HydrophobicContact CD1-CE2 3.34Å; I171-F234 HydrophobicContact CD1-CG 3.86Å; I171-F234 HydrophobicContact CD1-CZ 3.66Å; I171-F234 HydrophobicContact CG2-CE1 4.26Å; I171-F234 HydrophobicContact CG2-CZ 4.3Å; V182-F234 HydrophobicContact CB-CZ 4.14Å; V182-F234 HydrophobicContact CG1-CE1 4.48Å; V182-F234 HydrophobicContact CG1-CZ 4.16Å; G183-F234 WeakPolarHBondContact O-CA 3.49Å; L184-F234 HydrophobicContact CD2-CD2 3.39Å; L184-F234 HydrophobicContact CD2-CE2 3.87Å; L184-F234 HydrophobicContact CD2-CG 4.41Å; V226-F234 HydrophobicContact CG2-CD2 4.41Å; V226-F234 HydrophobicContact CG2-CE2 4.31Å; L232-F234 PolarHBondContact O-N 2.74Å; F234-M236 HydrophobicContact CE1-CB 3.95Å; F234-M236 HydrophobicContact CE1-CG 4.33Å; F234-M236 HydrophobicContact CE1-SD 4.28Å |
| 235 | T | 98.7 | Very high | 93.5 | Very high | 28 Ų | 28 | 51.8 Ų | 51.8 | 17% | 0.172 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 141.8 | 174 | -173.5 | 0 | 0 | 0 | 0 | 109.9 | V160 T161 V182 G183 I185 | V160-T235 WeakPolarHBondContact O-CA 3.42Å; T161-T235 WeakPolarHBondContact OG1-CB 3.05Å; T161-T235 PolarHBondContact OG1-OG1 3.43Å; V182-T235 CarbonylContact C-O 3.57Å; V182-T235 WeakPolarHBondContact CA-O 3.37Å; V182-T235 WeakPolarHBondContact CB-O 3.5Å; G183-T235 PolarHBondContact N-O 3.24Å; G183-T235 PolarHBondContact O-N 2.63Å; I185-T235 HydrophobicContact CD1-CG2 4.33Å |
| 236 | M | 98.2 | Very high | 93.3 | Very high | 1 Ų | 1 | 50.1 Ų | 50.1 | 1% | 0.005 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 140.2 | 174.6 | 63.7 | -174.9 | -55.9 | 0 | 0 | 111.9 | P5 L6 S159 V160 A173 E178 V182 F234 | P5-M236 HydrophobicContact CB-SD 3.78Å; P5-M236 HydrophobicContact CG-SD 3.77Å; L6-M236 HydrophobicContact CD1-CE 3.82Å; L6-M236 HydrophobicContact CD2-CE 4.46Å; L6-M236 HydrophobicContact CD2-CG 4.27Å; L6-M236 HydrophobicContact CD2-SD 4.16Å; L6-M236 HydrophobicContact CG-CE 3.87Å; L6-M236 HydrophobicContact CG-SD 4.01Å; S159-M236 CarbonylContact C-O 3.5Å; S159-M236 VanDerWaalsContact CA-O 3.25Å; S159-M236 WeakPolarHBondContact CA-O 3.43Å; V160-M236 HydrophobicContact CB-CG 4.38Å; V160-M236 PolarHBondContact N-O 3.02Å; V160-M236 PolarHBondContact O-N 2.86Å; A173-M236 HydrophobicContact CB-CE 4.45Å; E178-M236 HydrophobicContact CG-CE 3.76Å; V182-M236 HydrophobicContact CG1-CB 3.81Å; F234-M236 HydrophobicContact CE1-CB 3.95Å; F234-M236 HydrophobicContact CE1-CG 4.33Å; F234-M236 HydrophobicContact CE1-SD 4.28Å |
| 237 | E | 97.7 | Very high | 93 | Very high | 76 Ų | 76 | 52.7 Ų | 52.7 | 36% | 0.355 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 146.7 | 173.7 | -171.3 | -170.3 | -160.6 | 0 | 0 | 110.4 | C158 A179 H181 | C158-E237 WeakPolarHBondContact O-CA 2.99Å; A179-E237 HydrophobicContact CB-CB 3.81Å; A179-E237 HydrophobicContact CB-CG 3.52Å; A179-E237 WeakPolarHBondContact CB-OE2 3.42Å; A179-E237 PolarHBondContact N-O 3.46Å; A179-E237 VanDerWaalsContact N-O 3.14Å; H181-E237 HydrophobicContact CB-CB 4.14Å; H181-E237 WeakPolarHBondContact CB-OE2 3.28Å; H181-E237 IonicContact CE1-OE2 2.67Å; H181-E237 IonicContact CG-OE2 2.79Å; H181-E237 PolarHBondContact N-OE2 3.08Å; H181-E237 IonicContact ND1-OE2 3.37Å; H181-E237 PolarHBondContact ND1-OE2 3.05Å; H181-E237 WeakPolarHBondContact O-CB 3.5Å; H181-E237 PolarHBondContact O-N 3.06Å |
| 238 | Y | 97.1 | Very high | 92.6 | Very high | 6 Ų | 6 | 49.5 Ų | 49.5 | 2% | 0.024 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 158.7 | 173.8 | 65.9 | -102.6 | 0 | 0 | 0 | 111.4 | F9 V155 S156 E157 C158 S159 V160 Y177 N240 I243 | F9-Y238 HydrophobicContact CE2-CD1 4.12Å; F9-Y238 HydrophobicContact CE2-CD2 4.11Å; F9-Y238 AromaticContact CE2-CG 3.88Å; F9-Y238 HydrophobicContact CE2-CG 3.88Å; F9-Y238 HydrophobicContact CZ-CD1 4.16Å; F9-Y238 HydrophobicContact CZ-CD2 4.28Å; F9-Y238 HydrophobicContact CZ-CE1 4.12Å; F9-Y238 HydrophobicContact CZ-CE2 4.27Å; F9-Y238 HydrophobicContact CZ-CG 4.23Å; V155-Y238 HydrophobicContact CG1-CE1 4.41Å; S156-Y238 PolarHBondContact O-OH 3.34Å; E157-Y238 WeakPolarHBondContact CA-OH 3.38Å; E157-Y238 PolarHBondContact O-OH 2.63Å; C158-Y238 VanDerWaalsContact C-CE1 3.48Å; C158-Y238 PolarHBondContact N-OH 2.99Å; C158-Y238 PolarHBondContact O-N 3.2Å; S159-Y238 VanDerWaalsContact N-CE1 3.26Å; V160-Y238 HydrophobicContact CG2-CD1 3.96Å; V160-Y238 HydrophobicContact CG2-CE1 4.33Å; Y177-Y238 CarbonylContact O-C 3.5Å; Y177-Y238 VanDerWaalsContact O-CA 3.3Å; Y177-Y238 WeakPolarHBondContact O-CA 3.49Å; Y177-Y238 WeakPolarHBondContact O-CB 3.29Å; Y238-N240 WeakPolarHBondContact CE2-OD1 3.36Å; Y238-N240 PolarHBondContact O-N 3.41Å; Y238-I243 HydrophobicContact CD2-CD1 3.16Å; Y238-I243 HydrophobicContact CD2-CG1 4.48Å; Y238-I243 HydrophobicContact CE2-CD1 3Å; Y238-I243 HydrophobicContact CE2-CG1 4.48Å; Y238-I243 HydrophobicContact CG-CD1 4.2Å |
| 239 | K | 95.4 | Very high | 92.2 | Very high | 85 Ų | 85 | 52.5 Ų | 52.5 | 37% | 0.37 | 26% | 0.262 | S | S | . | . | trans | -76.1 | 103.3 | 179.5 | -68.7 | 174.9 | -176.8 | 133.2 | 0 | 111.1 | G176 Y177 E178 A179 D241 M242 | G176-K239 PolarHBondContact O-NZ 2.73Å; Y177-K239 PolarHBondContact O-N 3.07Å; E178-K239 WeakPolarHBondContact O-CE 3.47Å; E178-K239 PolarHBondContact O-NZ 2.8Å; A179-K239 HydrophobicContact CB-CG 4.36Å; K239-D241 VanDerWaalsContact C-N 3.26Å; K239-D241 WeakPolarHBondContact CB-OD1 3.46Å; K239-D241 PolarHBondContact O-N 2.86Å; K239-M242 HydrophobicContact CB-CB 4.09Å; K239-M242 HydrophobicContact CB-CG 3.73Å; K239-M242 HydrophobicContact CD-CG 3.96Å; K239-M242 PolarHBondContact O-N 3.02Å; K239-M242 VanDerWaalsContact O-N 3.15Å | ||
| 240 | N | 87 | Confident | 91.9 | Very high | 84 Ų | 84 | 52 Ų | 52 | 45% | 0.449 | 26% | 0.259 | S | S | . | . | G | 310 helix | trans | -57.8 | -35.8 | -179.3 | -82 | -12.8 | 0 | 0 | 0 | 113.8 | E157 Y238 M242 I243 | E157-N240 PolarHBondContact O-ND2 3.15Å; E157-N240 PolarHBondContact O-OD1 3.29Å; Y238-N240 WeakPolarHBondContact CE2-OD1 3.36Å; Y238-N240 PolarHBondContact O-N 3.41Å; N240-M242 PolarHBondContact O-N 3.44Å; N240-I243 PolarHBondContact O-N 3.39Å |
| 241 | D | 85.7 | Confident | 91.4 | Very high | 101 Ų | 101 | 47.9 Ų | 47.9 | 54% | 0.54 | 25% | 0.248 | S | C | . | . | G | 310 helix | trans | -67.9 | -18.8 | -179.9 | 59 | -44.7 | 0 | 0 | 0 | 113.8 | K239 N244 | K239-D241 VanDerWaalsContact C-N 3.26Å; K239-D241 WeakPolarHBondContact CB-OD1 3.46Å; K239-D241 PolarHBondContact O-N 2.86Å; D241-N244 PolarHBondContact O-ND2 3.37Å |
| 242 | M | 82 | Confident | 90.9 | Very high | 89 Ų | 89 | 48.8 Ų | 48.8 | 44% | 0.438 | 25% | 0.249 | S | C | . | . | G | 310 helix | trans | -90.9 | -7.4 | -178.8 | -64.3 | -70.4 | 97.7 | 0 | 0 | 114 | Y177 K239 N240 N244 | Y177-M242 HydrophobicContact CD1-CB 3.85Å; Y177-M242 HydrophobicContact CE1-CB 4.18Å; Y177-M242 WeakPolarHBondContact CE1-O 3.49Å; K239-M242 HydrophobicContact CB-CB 4.09Å; K239-M242 HydrophobicContact CB-CG 3.73Å; K239-M242 HydrophobicContact CD-CG 3.96Å; K239-M242 PolarHBondContact O-N 3.02Å; K239-M242 VanDerWaalsContact O-N 3.15Å; N240-M242 PolarHBondContact O-N 3.44Å; M242-N244 VanDerWaalsContact C-N 3.29Å |
| 243 | I | 79.7 | Confident | 90.3 | Very high | 4 Ų | 4 | 52.9 Ų | 52.9 | 2% | 0.021 | 27% | 0.269 | C | S | . | . | trans | -87.3 | -0.9 | -177.9 | -74 | 160.1 | 0 | 0 | 0 | 113 | F9 L30 R33 Y177 Y238 N240 | F9-I243 HydrophobicContact CD1-CD1 4.22Å; F9-I243 HydrophobicContact CD1-CG1 4.14Å; F9-I243 HydrophobicContact CD2-CD1 4.14Å; F9-I243 HydrophobicContact CD2-CG1 4.23Å; F9-I243 HydrophobicContact CE1-CD1 3.81Å; F9-I243 HydrophobicContact CE1-CG1 4.21Å; F9-I243 HydrophobicContact CE2-CD1 3.71Å; F9-I243 HydrophobicContact CE2-CG1 4.3Å; F9-I243 HydrophobicContact CG-CD1 4.38Å; F9-I243 HydrophobicContact CG-CG1 4.15Å; F9-I243 HydrophobicContact CZ-CD1 3.52Å; F9-I243 HydrophobicContact CZ-CG1 4.29Å; L30-I243 HydrophobicContact CD1-CG2 4.43Å; R33-I243 HydrophobicContact CB-CG2 3.8Å; R33-I243 HydrophobicContact CG-CG2 4Å; Y177-I243 HydrophobicContact CD1-CG1 4.49Å; Y238-I243 HydrophobicContact CD2-CD1 3.16Å; Y238-I243 HydrophobicContact CD2-CG1 4.48Å; Y238-I243 HydrophobicContact CE2-CD1 3Å; Y238-I243 HydrophobicContact CE2-CG1 4.48Å; Y238-I243 HydrophobicContact CG-CD1 4.2Å; N240-I243 PolarHBondContact O-N 3.39Å | ||
| 244 | N | 64.6 | Low | 89.5 | Confident | 154 Ų | 154 | 57.1 Ų | 57.1 | 82% | 0.824 | 29% | 0.291 | S | S | * | . | trans | -60.9 | 0 | 174.4 | -65.3 | -37.7 | 0 | 0 | 0 | 113.6 | T29 D241 M242 | T29-N244 WeakPolarHBondContact CG2-OD1 3.26Å; D241-N244 PolarHBondContact O-ND2 3.37Å; M242-N244 VanDerWaalsContact C-N 3.29Å |
Retrieved 244 of 244 residues in 337.1 ms
(Link to these results)