| 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 | 72.3 | Confident | 94.9 | Very high | 128 Ų | 128 | 34.7 Ų | 34.7 | 63% | 0.631 | 18% | 0.179 | S | C | * | . | 0 | 125.7 | 0 | -58.9 | 169.2 | -78.1 | 0 | 0 | 106.3 | K3 D101 R103 | M1-K3 PolarHBondContact O-N 3.39Å; M1-D101 WeakPolarHBondContact CB-OD1 3.46Å; M1-D101 WeakPolarHBondContact CE-OD2 3.35Å; M1-R103 HydrophobicContact CG-CG 4.26Å; M1-R103 HydrophobicContact SD-CG 4.39Å; M1-R103 PolarHBondContact SD-NE 3.22Å; M1-R103 PolarHBondContact SD-NH2 2.93Å | |||
| 2 | P | 90.7 | Very high | 95.1 | Very high | 75 Ų | 75 | 32.8 Ų | 32.8 | 49% | 0.487 | 17% | 0.171 | S | C | . | . | trans | -55.8 | 128.8 | 173.8 | -22.9 | 32.9 | 0 | 0 | 0 | 109.6 | C102 | P2-C102 WeakPolarHBondContact CD-O 3.42Å; P2-C102 WeakPolarHBondContact O-CB 3.08Å; P2-C102 PolarHBondContact O-N 2.91Å | ||
| 3 | K | 97.1 | Very high | 95.3 | Very high | 81 Ų | 81 | 37.2 Ų | 37.2 | 35% | 0.352 | 19% | 0.189 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 134 | 170.5 | -63.9 | 171.4 | 178.5 | 174.4 | 0 | 107.9 | M1 M79 V99 F100 R159 V160 | M1-K3 PolarHBondContact O-N 3.39Å; K3-M79 HydrophobicContact CD-CE 4.28Å; K3-M79 HydrophobicContact CD-SD 3.7Å; K3-M79 HydrophobicContact CG-SD 3.99Å; K3-V99 HydrophobicContact CB-CG1 4.08Å; K3-F100 VanDerWaalsContact CA-O 3.31Å; K3-F100 WeakPolarHBondContact CA-O 3.33Å; K3-R159 WeakPolarHBondContact O-CA 3.46Å; K3-V160 HydrophobicContact CB-CG2 3.39Å; K3-V160 HydrophobicContact CD-CG2 4.41Å; K3-V160 PolarHBondContact O-N 2.82Å |
| 4 | V | 98.2 | Very high | 95.5 | Very high | 5 Ų | 5 | 37.2 Ų | 37.2 | 3% | 0.03 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 119.1 | -179.2 | -176.6 | 0 | 0 | 0 | 0 | 108.1 | F100 P107 F157 V158 | V4-F100 PolarHBondContact N-O 2.9Å; V4-F100 PolarHBondContact O-N 3.22Å; V4-P107 HydrophobicContact CB-CG 4.3Å; V4-P107 HydrophobicContact CG1-CG 3.94Å; V4-F157 HydrophobicContact CG1-CB 3.68Å; V4-F157 HydrophobicContact CG1-CD1 3.83Å; V4-F157 HydrophobicContact CG1-CG 4.15Å; V4-V158 CarbonylContact C-O 3.52Å; V4-V158 WeakPolarHBondContact CA-O 3.43Å |
| 5 | A | 98.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 134.2 | 171.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | R96 V98 V99 F157 V158 V160 | A5-R96 HydrophobicContact CB-CG 4.08Å; A5-V98 WeakPolarHBondContact CA-O 3.32Å; A5-V99 HydrophobicContact CB-CG2 4.13Å; A5-F157 CarbonylContact O-C 3.56Å; A5-F157 WeakPolarHBondContact O-CA 3.39Å; A5-V158 PolarHBondContact N-O 3.05Å; A5-V158 PolarHBondContact O-N 3.05Å; A5-V160 HydrophobicContact CB-CG1 3.71Å |
| 6 | L | 98.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 119.8 | 161.7 | 173.7 | 61.8 | 0 | 0 | 0 | 108 | L8 W27 M97 V98 F100 Y110 H155 F157 | L6-L8 HydrophobicContact CD1-CD2 3.74Å; L6-L8 HydrophobicContact CD2-CD2 4.23Å; L6-L8 HydrophobicContact CG-CD2 3.93Å; L6-L8 HydrophobicContact CG-CG 4.27Å; L6-W27 HydrophobicContact CD2-CE3 3.62Å; L6-W27 HydrophobicContact CD2-CZ3 3.66Å; L6-M97 PolarHBondContact O-N 2.77Å; L6-V98 HydrophobicContact CB-CG1 3.84Å; L6-V98 HydrophobicContact CD2-CG1 4.18Å; L6-V98 PolarHBondContact N-O 3.41Å; L6-F100 HydrophobicContact CB-CE2 3.95Å; L6-Y110 HydrophobicContact CD1-CD1 4.23Å; L6-Y110 HydrophobicContact CD1-CG 4.05Å; L6-Y110 HydrophobicContact CD2-CD1 4.1Å; L6-Y110 HydrophobicContact CD2-CD2 3.58Å; L6-Y110 HydrophobicContact CD2-CE1 4.18Å; L6-Y110 HydrophobicContact CD2-CE2 3.68Å; L6-Y110 HydrophobicContact CD2-CG 3.79Å; L6-H155 HydrophobicContact CD1-CB 4Å; L6-F157 HydrophobicContact CB-CD1 4.31Å; L6-F157 HydrophobicContact CB-CE1 4.06Å; L6-F157 HydrophobicContact CD1-CD1 4.19Å; L6-F157 HydrophobicContact CD1-CE1 3.74Å; L6-F157 HydrophobicContact CD1-CZ 4.04Å; L6-F157 HydrophobicContact CG-CE1 4.38Å |
| 7 | E | 98.5 | Very high | 95.4 | Very high | 20 Ų | 20 | 42.3 Ų | 42.3 | 9% | 0.093 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 131.7 | 171.5 | -56.3 | -171.7 | 162 | 0 | 0 | 109 | W94 Q95 R96 H155 R156 V158 | E7-W94 HydrophobicContact CB-CE3 4.31Å; E7-Q95 CarbonylContact C-O 3.56Å; E7-Q95 WeakPolarHBondContact CA-O 3.48Å; E7-R96 HydrophobicContact CG-CB 4.24Å; E7-R96 IonicContact OE1-NH2 2.74Å; E7-H155 WeakPolarHBondContact O-CA 3.18Å; E7-R156 HydrophobicContact CB-CG 3.9Å; E7-R156 PolarHBondContact N-O 3.43Å; E7-R156 PolarHBondContact O-N 3.15Å; E7-R156 IonicContact OE2-CZ 2.67Å; E7-R156 IonicContact OE2-NE 3.98Å; E7-R156 PolarHBondContact OE2-NE 3.1Å; E7-R156 IonicContact OE2-NH2 2.77Å; E7-R156 PolarHBondContact OE2-NH2 3.15Å; E7-V158 HydrophobicContact CG-CG2 4.22Å |
| 8 | L | 98 | Very high | 95.4 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 153.7 | 178.4 | -59.2 | -175.1 | 0 | 0 | 0 | 110.1 | L6 F10 Q95 M97 Y110 W116 E154 H155 | L6-L8 HydrophobicContact CD1-CD2 3.74Å; L6-L8 HydrophobicContact CD2-CD2 4.23Å; L6-L8 HydrophobicContact CG-CD2 3.93Å; L6-L8 HydrophobicContact CG-CG 4.27Å; L8-F10 HydrophobicContact CB-CD2 4.42Å; L8-F10 HydrophobicContact CB-CE2 3.79Å; L8-F10 HydrophobicContact CB-CZ 4.04Å; L8-F10 HydrophobicContact CD1-CE1 4.49Å; L8-F10 HydrophobicContact CD1-CE2 3.88Å; L8-F10 HydrophobicContact CD1-CZ 3.5Å; L8-F10 HydrophobicContact CG-CE2 4.48Å; L8-F10 HydrophobicContact CG-CZ 4.37Å; L8-Q95 PolarHBondContact N-O 3.4Å; L8-Q95 PolarHBondContact O-N 2.99Å; L8-M97 HydrophobicContact CB-CG 3.75Å; L8-M97 HydrophobicContact CD1-CB 4.4Å; L8-M97 HydrophobicContact CD1-CG 3.72Å; L8-M97 HydrophobicContact CG-CB 4.35Å; L8-M97 HydrophobicContact CG-CG 3.56Å; L8-Y110 HydrophobicContact CD1-CE1 3.8Å; L8-Y110 HydrophobicContact CD2-CD1 3.64Å; L8-Y110 HydrophobicContact CD2-CE1 3.53Å; L8-Y110 HydrophobicContact CG-CE1 4.33Å; L8-W116 HydrophobicContact CD1-CH2 3.8Å; L8-W116 HydrophobicContact CD1-CZ2 3.75Å; L8-E154 CarbonylContact C-O 3.59Å; L8-E154 WeakPolarHBondContact CA-O 3.43Å; L8-H155 HydrophobicContact CD2-CB 3.54Å |
| 9 | K | 97.7 | Very high | 95.5 | Very high | 42 Ų | 42 | 38.8 Ų | 38.8 | 18% | 0.183 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 127.7 | 169.9 | 179.8 | -177.5 | 58.9 | 158.6 | 0 | 106.9 | E92 W94 E154 | K9-E92 WeakPolarHBondContact CD-O 3.34Å; K9-W94 HydrophobicContact CB-CD2 3.99Å; K9-W94 HydrophobicContact CB-CE3 3.73Å; K9-W94 HydrophobicContact CB-CH2 4.38Å; K9-W94 HydrophobicContact CB-CZ3 3.93Å; K9-E154 HydrophobicContact CB-CB 4.34Å; K9-E154 WeakPolarHBondContact CE-OE1 3.47Å; K9-E154 VanDerWaalsContact CE-OE2 3.28Å; K9-E154 WeakPolarHBondContact CE-OE2 3.29Å; K9-E154 PolarHBondContact N-O 2.97Å; K9-E154 IonicContact NZ-OE1 2.64Å; K9-E154 PolarHBondContact NZ-OE1 3.29Å; K9-E154 IonicContact NZ-OE2 2.97Å; K9-E154 PolarHBondContact NZ-OE2 3.41Å; K9-E154 PolarHBondContact O-N 2.79Å |
| 10 | F | 96.7 | Very high | 95.6 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 153.3 | 177.7 | -58.8 | -77.2 | 0 | 0 | 0 | 108.9 | L8 C12 L18 Y86 N91 E92 W116 L132 I150 V153 | L8-F10 HydrophobicContact CB-CD2 4.42Å; L8-F10 HydrophobicContact CB-CE2 3.79Å; L8-F10 HydrophobicContact CB-CZ 4.04Å; L8-F10 HydrophobicContact CD1-CE1 4.49Å; L8-F10 HydrophobicContact CD1-CE2 3.88Å; L8-F10 HydrophobicContact CD1-CZ 3.5Å; L8-F10 HydrophobicContact CG-CE2 4.48Å; L8-F10 HydrophobicContact CG-CZ 4.37Å; F10-C12 VanDerWaalsContact CB-SG 3.53Å; F10-L18 HydrophobicContact CD1-CD2 4.42Å; F10-L18 HydrophobicContact CD2-CD2 4.06Å; F10-L18 HydrophobicContact CE2-CD2 4.2Å; F10-L18 HydrophobicContact CG-CD2 4.17Å; F10-L18 HydrophobicContact CZ-CD2 4.42Å; F10-Y86 HydrophobicContact CB-CD1 4.5Å; F10-Y86 HydrophobicContact CB-CE1 4Å; F10-Y86 AromaticContact CD2-CD1 3.67Å; F10-Y86 HydrophobicContact CD2-CD1 3.67Å; F10-Y86 AromaticContact CD2-CD2 3.45Å; F10-Y86 HydrophobicContact CD2-CD2 3.45Å; F10-Y86 VanDerWaalsContact CD2-CD2 3.45Å; F10-Y86 AromaticContact CD2-CE1 3.85Å; F10-Y86 HydrophobicContact CD2-CE1 3.85Å; F10-Y86 AromaticContact CD2-CE2 3.65Å; F10-Y86 HydrophobicContact CD2-CE2 3.65Å; F10-Y86 AromaticContact CD2-CG 3.46Å; F10-Y86 HydrophobicContact CD2-CG 3.46Å; F10-Y86 VanDerWaalsContact CD2-CG 3.46Å; F10-Y86 AromaticContact CD2-CZ 3.85Å; F10-Y86 HydrophobicContact CE2-CD1 4.43Å; F10-Y86 AromaticContact CE2-CD2 3.78Å; F10-Y86 HydrophobicContact CE2-CD2 3.78Å; F10-Y86 HydrophobicContact CE2-CE2 4.34Å; F10-Y86 AromaticContact CE2-CG 3.83Å; F10-Y86 HydrophobicContact CE2-CG 3.83Å; F10-Y86 HydrophobicContact CG-CE1 4.43Å; F10-Y86 PolarHBondContact N-OH 3.46Å; F10-Y86 PolarHBondContact O-OH 2.83Å; F10-N91 PolarHBondContact O-OD1 3.1Å; F10-N91 VanDerWaalsContact O-OD1 3.07Å; F10-E92 WeakPolarHBondContact O-CA 3.13Å; F10-E92 PolarHBondContact O-N 2.98Å; F10-W116 HydrophobicContact CZ-CH2 4.24Å; F10-W116 HydrophobicContact CZ-CZ2 4.04Å; F10-L132 HydrophobicContact CE1-CD1 4.33Å; F10-I150 HydrophobicContact CB-CG2 4.42Å; F10-I150 HydrophobicContact CD1-CG2 3.83Å; F10-I150 HydrophobicContact CE1-CG2 4.49Å; F10-I150 HydrophobicContact CG-CG2 4.43Å; F10-V153 HydrophobicContact CD1-CB 4.07Å; F10-V153 HydrophobicContact CD1-CG1 3.83Å; F10-V153 HydrophobicContact CD1-CG2 3.65Å; F10-V153 HydrophobicContact CE1-CB 4.1Å; F10-V153 HydrophobicContact CE1-CG1 3.42Å; F10-V153 VanDerWaalsContact CE1-CG1 3.42Å; F10-V153 HydrophobicContact CE1-CG2 3.76Å; F10-V153 HydrophobicContact CZ-CG1 4.39Å |
| 11 | T | 97.5 | Very high | 95.6 | Very high | 31 Ų | 31 | 35.6 Ų | 35.6 | 19% | 0.19 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 105.5 | 158.8 | -59.7 | 0 | 0 | 0 | 0 | 107.2 | E92 I150 E151 N152 | T11-E92 HydrophobicContact CG2-CG 4.46Å; T11-I150 CarbonylContact O-C 3.6Å; T11-I150 WeakPolarHBondContact O-CA 3.38Å; T11-E151 PolarHBondContact N-O 2.86Å; T11-E151 PolarHBondContact O-N 3.23Å; T11-N152 PolarHBondContact OG1-ND2 3.44Å |
| 12 | C | 97.6 | Very high | 96.6 | Very high | 12 Ų | 12 | 35.3 Ų | 35.3 | 8% | 0.081 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 138.8 | -179.8 | -56.5 | 0 | 0 | 0 | 0 | 111.5 | F10 L15 L18 T88 N91 S149 | F10-C12 VanDerWaalsContact CB-SG 3.53Å; C12-L15 HydrophobicContact CB-CB 4.39Å; C12-L15 HydrophobicContact CB-CD1 4.27Å; C12-L18 HydrophobicContact CB-CD1 4.46Å; C12-L18 VanDerWaalsContact SG-CD1 3.57Å; C12-T88 HydrophobicContact CB-CG2 3.99Å; C12-N91 PolarHBondContact N-ND2 3.26Å; C12-N91 PolarHBondContact N-OD1 3.26Å; C12-N91 PolarHBondContact O-ND2 2.94Å; C12-S149 WeakPolarHBondContact CA-O 3.25Å |
| 13 | E | 97.7 | Very high | 96.4 | Very high | 89 Ų | 89 | 37 Ų | 37 | 42% | 0.416 | 18% | 0.179 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 129.5 | 171.6 | -156.6 | -169.9 | 158.4 | 0 | 0 | 111.1 | L15 S149 | E13-L15 PolarHBondContact O-N 2.85Å; E13-S149 WeakPolarHBondContact CB-OG 3.46Å; E13-S149 PolarHBondContact N-O 2.77Å; E13-S149 PolarHBondContact O-N 3.38Å |
| 14 | N | 97.7 | Very high | 95.8 | Very high | 38 Ų | 38 | 35.6 Ų | 35.6 | 20% | 0.203 | 18% | 0.179 | C | C | . | . | S | Bend | trans | 55.3 | 19.9 | 176.8 | -61.3 | -56.5 | 0 | 0 | 0 | 116.3 | S121 K122 V146 Q147 L148 | N14-S121 WeakPolarHBondContact CA-OG 3.45Å; N14-S121 VanDerWaalsContact O-CB 3.22Å; N14-S121 WeakPolarHBondContact O-CB 3.34Å; N14-S121 PolarHBondContact O-N 2.88Å; N14-S121 PolarHBondContact O-OG 3.02Å; N14-K122 WeakPolarHBondContact OD1-CE 3.42Å; N14-V146 HydrophobicContact CB-CB 4.36Å; N14-V146 HydrophobicContact CB-CG2 3.97Å; N14-Q147 WeakPolarHBondContact CB-O 3.16Å; N14-Q147 PolarHBondContact ND2-O 3.32Å; N14-L148 HydrophobicContact CB-CD2 3.69Å; N14-L148 WeakPolarHBondContact O-CD2 3.39Å |
| 15 | L | 97.5 | Very high | 95.7 | Very high | 7 Ų | 7 | 35.8 Ų | 35.8 | 4% | 0.037 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 144.7 | 174.4 | -63.9 | 178.6 | 0 | 0 | 0 | 111.9 | C12 E13 L18 T88 V118 M119 W137 L148 I150 | C12-L15 HydrophobicContact CB-CB 4.39Å; C12-L15 HydrophobicContact CB-CD1 4.27Å; E13-L15 PolarHBondContact O-N 2.85Å; L15-L18 HydrophobicContact CB-CD1 4.11Å; L15-L18 HydrophobicContact CD1-CD1 3.63Å; L15-L18 HydrophobicContact CD1-CG 4.3Å; L15-T88 HydrophobicContact CB-CG2 3.93Å; L15-T88 VanDerWaalsContact O-CB 3.3Å; L15-T88 WeakPolarHBondContact O-CB 3.31Å; L15-T88 WeakPolarHBondContact O-CG2 3.2Å; L15-T88 PolarHBondContact O-OG1 2.89Å; L15-V118 HydrophobicContact CD1-CB 4.39Å; L15-V118 HydrophobicContact CD2-CB 4.12Å; L15-V118 HydrophobicContact CD2-CG2 4.27Å; L15-M119 CarbonylContact C-O 3.51Å; L15-M119 WeakPolarHBondContact CA-O 3.35Å; L15-W137 HydrophobicContact CD2-CZ3 4.24Å; L15-L148 HydrophobicContact CD2-CB 3.97Å; L15-L148 HydrophobicContact CD2-CD1 4.11Å; L15-L148 HydrophobicContact CD2-CD2 4.26Å; L15-L148 HydrophobicContact CD2-CG 4.35Å; L15-I150 HydrophobicContact CD1-CD1 3.88Å; L15-I150 HydrophobicContact CD1-CG1 3.44Å; L15-I150 VanDerWaalsContact CD1-CG1 3.44Å |
| 16 | R | 94.7 | Very high | 95.7 | Very high | 128 Ų | 128 | 40 Ų | 40 | 48% | 0.483 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | -42.1 | 173.1 | -179.7 | -178.6 | -69.9 | 164.2 | 5.2 | 111.9 | T88 M119 | R16-T88 VanDerWaalsContact C-OG1 3.29Å; R16-T88 PolarHBondContact O-OG1 3.27Å; R16-M119 HydrophobicContact CB-CB 4.33Å; R16-M119 HydrophobicContact CG-CE 4.35Å; R16-M119 PolarHBondContact N-O 2.89Å |
| 17 | E | 93.7 | Very high | 95.6 | Very high | 63 Ų | 63 | 40.2 Ų | 40.2 | 29% | 0.294 | 20% | 0.196 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -159 | 155.7 | 177.9 | 75.6 | -171.6 | -162.7 | 0 | 0 | 110.3 | M119 | E17-M119 HydrophobicContact CG-CB 4.45Å; E17-M119 HydrophobicContact CG-CE 3.57Å; E17-M119 HydrophobicContact CG-CG 4.11Å; E17-M119 HydrophobicContact CG-SD 4.42Å; E17-M119 PolarHBondContact O-N 3.31Å; E17-M119 WeakPolarHBondContact OE1-CE 3.32Å |
| 18 | L | 95.5 | Very high | 95.6 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 129.1 | 164.9 | -66.2 | 60.8 | 0 | 0 | 0 | 107.3 | F10 C12 L15 S85 Y86 T88 W116 T117 V118 I150 | F10-L18 HydrophobicContact CD1-CD2 4.42Å; F10-L18 HydrophobicContact CD2-CD2 4.06Å; F10-L18 HydrophobicContact CE2-CD2 4.2Å; F10-L18 HydrophobicContact CG-CD2 4.17Å; F10-L18 HydrophobicContact CZ-CD2 4.42Å; C12-L18 HydrophobicContact CB-CD1 4.46Å; C12-L18 VanDerWaalsContact SG-CD1 3.57Å; L15-L18 HydrophobicContact CB-CD1 4.11Å; L15-L18 HydrophobicContact CD1-CD1 3.63Å; L15-L18 HydrophobicContact CD1-CG 4.3Å; L18-S85 CarbonylContact O-C 3.55Å; L18-S85 WeakPolarHBondContact O-CA 3.35Å; L18-S85 WeakPolarHBondContact O-CB 3.43Å; L18-Y86 PolarHBondContact N-O 2.72Å; L18-Y86 PolarHBondContact O-N 3.33Å; L18-T88 HydrophobicContact CD1-CG2 3.73Å; L18-W116 HydrophobicContact CB-CE3 4.18Å; L18-T117 CarbonylContact C-O 3.6Å; L18-T117 WeakPolarHBondContact CA-O 3.45Å; L18-V118 HydrophobicContact CB-CG1 4.37Å; L18-V118 HydrophobicContact CG-CG1 3.84Å; L18-I150 HydrophobicContact CD2-CD1 3.38Å; L18-I150 HydrophobicContact CD2-CG1 3.88Å; L18-I150 HydrophobicContact CD2-CG2 4.32Å; L18-I150 HydrophobicContact CG-CD1 3.86Å; L18-I150 HydrophobicContact CG-CG1 4.47Å |
| 19 | S | 96.7 | Very high | 95.6 | Very high | 18 Ų | 18 | 40 Ų | 40 | 13% | 0.126 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 154.8 | -179.1 | 62.5 | 0 | 0 | 0 | 0 | 111.5 | A21 S85 T117 | S19-A21 PolarHBondContact O-N 3.38Å; S19-S85 WeakPolarHBondContact CB-OG 3.47Å; S19-T117 PolarHBondContact N-O 3.24Å; S19-T117 PolarHBondContact O-N 2.88Å |
| 20 | P | 97 | Very high | 95.6 | Very high | 8 Ų | 8 | 39.3 Ų | 39.3 | 5% | 0.052 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -55.2 | 125.8 | 169.9 | -32.5 | 41.3 | 0 | 0 | 0 | 112.5 | Y22 F25 W27 V83 W116 | P20-Y22 HydrophobicContact CB-CE2 4.13Å; P20-F25 HydrophobicContact CB-CB 3.96Å; P20-F25 HydrophobicContact CB-CD1 3.73Å; P20-F25 HydrophobicContact CB-CD2 3.57Å; P20-F25 HydrophobicContact CB-CE1 4.09Å; P20-F25 HydrophobicContact CB-CE2 3.93Å; P20-F25 HydrophobicContact CB-CG 3.46Å; P20-F25 VanDerWaalsContact CB-CG 3.46Å; P20-F25 HydrophobicContact CB-CZ 4.18Å; P20-F25 HydrophobicContact CG-CD1 4.27Å; P20-F25 HydrophobicContact CG-CD2 4.3Å; P20-F25 HydrophobicContact CG-CE1 4.14Å; P20-F25 HydrophobicContact CG-CE2 4.16Å; P20-F25 HydrophobicContact CG-CG 4.36Å; P20-F25 HydrophobicContact CG-CZ 4.07Å; P20-W27 HydrophobicContact CG-CH2 4.42Å; P20-W27 HydrophobicContact CG-CZ2 4.2Å; P20-V83 HydrophobicContact CB-CG1 4.46Å; P20-V83 HydrophobicContact CG-CG1 3.73Å; P20-W116 HydrophobicContact CG-CZ3 4.34Å |
| 21 | A | 95.5 | Very high | 95.7 | Very high | 3 Ų | 3 | 39.7 Ų | 39.7 | 3% | 0.025 | 19% | 0.194 | C | C | . | . | trans | -82.7 | 114.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | S19 C24 F25 G115 T117 | S19-A21 PolarHBondContact O-N 3.38Å; A21-C24 CarbonylContact O-C 3.6Å; A21-C24 PolarHBondContact O-N 3.39Å; A21-F25 WeakPolarHBondContact O-CA 3.12Å; A21-F25 VanDerWaalsContact O-CB 3.23Å; A21-F25 WeakPolarHBondContact O-CB 3.5Å; A21-F25 PolarHBondContact O-N 3.33Å; A21-G115 WeakPolarHBondContact CB-O 3.4Å; A21-G115 PolarHBondContact N-O 3.06Å; A21-T117 VanDerWaalsContact CA-OG1 3.31Å; A21-T117 WeakPolarHBondContact CA-OG1 3.18Å; A21-T117 WeakPolarHBondContact CB-OG1 3.18Å | ||
| 22 | Y | 92.9 | Very high | 95.7 | Very high | 121 Ų | 121 | 42.1 Ų | 42.1 | 48% | 0.475 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | 140.9 | 174.5 | -62.4 | -81.4 | 0 | 0 | 0 | 111.4 | P20 E48 | P20-Y22 HydrophobicContact CB-CE2 4.13Å; Y22-E48 PolarHBondContact OH-OE2 3.49Å |
| 23 | P | 88 | Confident | 95.7 | Very high | 112 Ų | 112 | 41.8 Ų | 41.8 | 73% | 0.727 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | cis | -91.5 | 9.5 | 3.7 | 37.3 | -36.6 | 0 | 0 | 0 | 114.3 | ||
| 24 | C | 84.8 | Confident | 95.6 | Very high | 51 Ų | 51 | 41.4 Ų | 41.4 | 35% | 0.345 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | -18.2 | -167.1 | -60 | 0 | 0 | 0 | 0 | 114.7 | A21 R26 C129 | A21-C24 CarbonylContact O-C 3.6Å; A21-C24 PolarHBondContact O-N 3.39Å; C24-R26 PolarHBondContact O-NE 2.9Å; C24-R26 PolarHBondContact O-NH2 2.96Å; C24-C129 WeakPolarHBondContact CB-SG 3.25Å; C24-C129 PolarHBondContact SG-SG 2.91Å |
| 25 | F | 96.1 | Very high | 95.5 | Very high | 8 Ų | 8 | 42.2 Ų | 42.2 | 4% | 0.035 | 22% | 0.221 | C | C | . | . | trans | -67.6 | 134 | -168.9 | -162.1 | -92.9 | 0 | 0 | 0 | 112.8 | P20 A21 W27 G114 G115 W116 | P20-F25 HydrophobicContact CB-CB 3.96Å; P20-F25 HydrophobicContact CB-CD1 3.73Å; P20-F25 HydrophobicContact CB-CD2 3.57Å; P20-F25 HydrophobicContact CB-CE1 4.09Å; P20-F25 HydrophobicContact CB-CE2 3.93Å; P20-F25 HydrophobicContact CB-CG 3.46Å; P20-F25 VanDerWaalsContact CB-CG 3.46Å; P20-F25 HydrophobicContact CB-CZ 4.18Å; P20-F25 HydrophobicContact CG-CD1 4.27Å; P20-F25 HydrophobicContact CG-CD2 4.3Å; P20-F25 HydrophobicContact CG-CE1 4.14Å; P20-F25 HydrophobicContact CG-CE2 4.16Å; P20-F25 HydrophobicContact CG-CG 4.36Å; P20-F25 HydrophobicContact CG-CZ 4.07Å; A21-F25 WeakPolarHBondContact O-CA 3.12Å; A21-F25 VanDerWaalsContact O-CB 3.23Å; A21-F25 WeakPolarHBondContact O-CB 3.5Å; A21-F25 PolarHBondContact O-N 3.33Å; F25-W27 HydrophobicContact CD1-CD2 4.44Å; F25-W27 HydrophobicContact CD1-CZ2 4.35Å; F25-W27 AromaticContact CE1-CD2 3.55Å; F25-W27 HydrophobicContact CE1-CD2 3.55Å; F25-W27 AromaticContact CE1-CE2 3.4Å; F25-W27 VanDerWaalsContact CE1-CE2 3.4Å; F25-W27 AromaticContact CE1-CE3 3.78Å; F25-W27 HydrophobicContact CE1-CE3 3.78Å; F25-W27 HydrophobicContact CE1-CG 4.08Å; F25-W27 AromaticContact CE1-CH2 3.73Å; F25-W27 HydrophobicContact CE1-CH2 3.73Å; F25-W27 AromaticContact CE1-CZ2 3.52Å; F25-W27 HydrophobicContact CE1-CZ2 3.52Å; F25-W27 AromaticContact CE1-CZ3 3.86Å; F25-W27 HydrophobicContact CE1-CZ3 3.86Å; F25-W27 AromaticContact CE1-NE1 3.86Å; F25-W27 HydrophobicContact CZ-CD2 4.36Å; F25-W27 HydrophobicContact CZ-CE3 4.15Å; F25-W27 AromaticContact CZ-CH2 3.87Å; F25-W27 HydrophobicContact CZ-CH2 3.87Å; F25-W27 HydrophobicContact CZ-CZ2 4.12Å; F25-W27 AromaticContact CZ-CZ3 3.89Å; F25-W27 HydrophobicContact CZ-CZ3 3.89Å; F25-G114 VanDerWaalsContact CA-O 3.26Å; F25-G114 WeakPolarHBondContact CA-O 3.39Å; F25-G115 WeakPolarHBondContact CD2-O 3.41Å; F25-W116 AromaticContact CE2-CD2 3.67Å; F25-W116 HydrophobicContact CE2-CD2 3.67Å; F25-W116 AromaticContact CE2-CE2 3.59Å; F25-W116 HydrophobicContact CE2-CE3 4.05Å; F25-W116 HydrophobicContact CE2-CG 4.09Å; F25-W116 HydrophobicContact CE2-CH2 4.24Å; F25-W116 AromaticContact CE2-CZ2 3.91Å; F25-W116 HydrophobicContact CE2-CZ2 3.91Å; F25-W116 HydrophobicContact CE2-CZ3 4.31Å; F25-W116 AromaticContact CE2-NE1 3.91Å; F25-W116 HydrophobicContact CZ-CD2 4.33Å; F25-W116 AromaticContact CZ-CE2 3.87Å; F25-W116 AromaticContact CZ-CH2 3.99Å; F25-W116 HydrophobicContact CZ-CH2 3.99Å; F25-W116 AromaticContact CZ-CZ2 3.71Å; F25-W116 HydrophobicContact CZ-CZ2 3.71Å; F25-W116 HydrophobicContact CZ-CZ3 4.42Å | ||
| 26 | R | 96.7 | Very high | 95.5 | Very high | 90 Ų | 90 | 44.4 Ų | 44.4 | 34% | 0.34 | 24% | 0.237 | S | C | . | . | trans | -135.9 | 133.4 | 175.4 | 60.5 | -158.7 | 69 | -147.1 | 2.4 | 110.4 | C24 L28 D45 I47 G114 | C24-R26 PolarHBondContact O-NE 2.9Å; C24-R26 PolarHBondContact O-NH2 2.96Å; R26-L28 HydrophobicContact CG-CD2 3.74Å; R26-L28 HydrophobicContact CG-CG 4.02Å; R26-L28 PolarHBondContact O-N 2.87Å; R26-D45 HydrophobicContact CB-CB 4.26Å; R26-D45 WeakPolarHBondContact CD-OD2 3.45Å; R26-D45 IonicContact CZ-OD2 3.05Å; R26-D45 IonicContact NH1-OD2 2.95Å; R26-D45 PolarHBondContact NH1-OD2 3.36Å; R26-I47 HydrophobicContact CB-CG1 4.06Å; R26-G114 PolarHBondContact N-O 3.07Å; R26-G114 VanDerWaalsContact N-O 3.09Å; R26-G114 WeakPolarHBondContact O-CA 3.38Å | ||
| 27 | W | 97.9 | Very high | 95.6 | Very high | 3 Ų | 3 | 40 Ų | 40 | 1% | 0.011 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 104.9 | 167.3 | -60.4 | 97.6 | 0 | 0 | 0 | 108 | L6 P20 F25 L29 V46 V83 M97 V98 F100 Y110 W116 | L6-W27 HydrophobicContact CD2-CE3 3.62Å; L6-W27 HydrophobicContact CD2-CZ3 3.66Å; P20-W27 HydrophobicContact CG-CH2 4.42Å; P20-W27 HydrophobicContact CG-CZ2 4.2Å; F25-W27 HydrophobicContact CD1-CD2 4.44Å; F25-W27 HydrophobicContact CD1-CZ2 4.35Å; F25-W27 AromaticContact CE1-CD2 3.55Å; F25-W27 HydrophobicContact CE1-CD2 3.55Å; F25-W27 AromaticContact CE1-CE2 3.4Å; F25-W27 VanDerWaalsContact CE1-CE2 3.4Å; F25-W27 AromaticContact CE1-CE3 3.78Å; F25-W27 HydrophobicContact CE1-CE3 3.78Å; F25-W27 HydrophobicContact CE1-CG 4.08Å; F25-W27 AromaticContact CE1-CH2 3.73Å; F25-W27 HydrophobicContact CE1-CH2 3.73Å; F25-W27 AromaticContact CE1-CZ2 3.52Å; F25-W27 HydrophobicContact CE1-CZ2 3.52Å; F25-W27 AromaticContact CE1-CZ3 3.86Å; F25-W27 HydrophobicContact CE1-CZ3 3.86Å; F25-W27 AromaticContact CE1-NE1 3.86Å; F25-W27 HydrophobicContact CZ-CD2 4.36Å; F25-W27 HydrophobicContact CZ-CE3 4.15Å; F25-W27 AromaticContact CZ-CH2 3.87Å; F25-W27 HydrophobicContact CZ-CH2 3.87Å; F25-W27 HydrophobicContact CZ-CZ2 4.12Å; F25-W27 AromaticContact CZ-CZ3 3.89Å; F25-W27 HydrophobicContact CZ-CZ3 3.89Å; W27-L29 HydrophobicContact CB-CD1 4.23Å; W27-L29 HydrophobicContact CB-CG 4.3Å; W27-L29 PolarHBondContact O-N 3.05Å; W27-V46 HydrophobicContact CB-CB 4.28Å; W27-V46 PolarHBondContact N-O 3.16Å; W27-V46 PolarHBondContact O-N 3.34Å; W27-V83 HydrophobicContact CZ2-CG1 4.2Å; W27-V83 HydrophobicContact CZ2-CG2 4.45Å; W27-M97 HydrophobicContact CH2-CB 3.91Å; W27-M97 HydrophobicContact CZ3-CB 4.3Å; W27-V98 HydrophobicContact CD2-CG1 3.79Å; W27-V98 HydrophobicContact CE3-CG1 3.85Å; W27-V98 HydrophobicContact CH2-CB 4.1Å; W27-V98 HydrophobicContact CH2-CG1 3.8Å; W27-V98 HydrophobicContact CZ2-CB 3.67Å; W27-V98 HydrophobicContact CZ2-CG1 3.68Å; W27-V98 HydrophobicContact CZ2-CG2 4.27Å; W27-V98 HydrophobicContact CZ3-CG1 3.87Å; W27-F100 HydrophobicContact CB-CE1 4.39Å; W27-F100 HydrophobicContact CB-CZ 4.12Å; W27-F100 HydrophobicContact CD2-CZ 4.19Å; W27-F100 HydrophobicContact CG-CE1 4.21Å; W27-F100 AromaticContact CG-CZ 3.98Å; W27-F100 HydrophobicContact CG-CZ 3.98Å; W27-Y110 AromaticContact CE3-CE2 3.68Å; W27-Y110 HydrophobicContact CE3-CE2 3.68Å; W27-Y110 HydrophobicContact CZ3-CE2 4.21Å; W27-W116 HydrophobicContact CH2-CH2 4.34Å; W27-W116 HydrophobicContact CZ3-CH2 4.44Å |
| 28 | L | 98 | Very high | 95.7 | Very high | 16 Ų | 16 | 41.9 Ų | 41.9 | 8% | 0.084 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 109.5 | 176.9 | -61.1 | 177.9 | 0 | 0 | 0 | 109.7 | R26 W43 D45 Y110 N111 D113 | R26-L28 HydrophobicContact CG-CD2 3.74Å; R26-L28 HydrophobicContact CG-CG 4.02Å; R26-L28 PolarHBondContact O-N 2.87Å; L28-W43 HydrophobicContact CB-CE3 4.23Å; L28-D45 WeakPolarHBondContact CD2-OD1 3.35Å; L28-Y110 WeakPolarHBondContact O-CA 3.43Å; L28-Y110 WeakPolarHBondContact O-CD2 3.38Å; L28-N111 HydrophobicContact CB-CB 3.82Å; L28-N111 HydrophobicContact CD1-CB 3.99Å; L28-N111 PolarHBondContact O-N 2.88Å; L28-D113 HydrophobicContact CD1-CB 4.22Å; L28-D113 VanDerWaalsContact CD1-O 3.29Å; L28-D113 WeakPolarHBondContact CD1-O 3.38Å |
| 29 | L | 98.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 143.8 | -172.5 | -62 | 169.7 | 0 | 0 | 0 | 111.4 | W27 F31 H44 V46 F100 P107 D109 Y110 F157 | W27-L29 HydrophobicContact CB-CD1 4.23Å; W27-L29 HydrophobicContact CB-CG 4.3Å; W27-L29 PolarHBondContact O-N 3.05Å; L29-F31 HydrophobicContact CB-CE1 3.77Å; L29-F31 HydrophobicContact CB-CE2 4.13Å; L29-F31 HydrophobicContact CB-CZ 3.51Å; L29-F31 HydrophobicContact CD1-CE1 3.91Å; L29-F31 HydrophobicContact CD1-CZ 3.81Å; L29-F31 HydrophobicContact CG-CE1 4.49Å; L29-F31 HydrophobicContact CG-CZ 4.32Å; L29-H44 PolarHBondContact N-O 2.96Å; L29-H44 PolarHBondContact O-N 3Å; L29-V46 HydrophobicContact CD1-CB 4.44Å; L29-V46 HydrophobicContact CD1-CG2 3.93Å; L29-F100 HydrophobicContact CD1-CE1 3.92Å; L29-F100 HydrophobicContact CD1-CE2 3.98Å; L29-F100 HydrophobicContact CD1-CZ 3.63Å; L29-F100 HydrophobicContact CD2-CE2 4.39Å; L29-F100 HydrophobicContact CD2-CZ 4.47Å; L29-P107 HydrophobicContact CD2-CB 4.2Å; L29-D109 WeakPolarHBondContact CA-O 3.33Å; L29-Y110 HydrophobicContact CD2-CD2 3.84Å; L29-F157 HydrophobicContact CD2-CE1 4.05Å; L29-F157 HydrophobicContact CD2-CZ 3.8Å |
| 30 | K | 98.2 | Very high | 95.3 | Very high | 28 Ų | 28 | 46.7 Ų | 46.7 | 12% | 0.122 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 150 | 158.3 | -62.4 | -177.8 | 178.6 | 175.7 | 0 | 109.6 | D41 W43 P107 V108 D109 | K30-D41 WeakPolarHBondContact CE-O 3.14Å; K30-D41 IonicContact NZ-OD1 3.13Å; K30-D41 PolarHBondContact NZ-OD1 3.4Å; K30-W43 HydrophobicContact CD-CH2 4.42Å; K30-W43 HydrophobicContact CD-CZ2 4.4Å; K30-W43 HydrophobicContact CG-CD2 4.02Å; K30-W43 HydrophobicContact CG-CE3 3.77Å; K30-W43 HydrophobicContact CG-CH2 4.22Å; K30-W43 HydrophobicContact CG-CZ2 4.47Å; K30-W43 HydrophobicContact CG-CZ3 3.87Å; K30-P107 WeakPolarHBondContact O-CA 3.48Å; K30-V108 HydrophobicContact CB-CG2 4.12Å; K30-V108 PolarHBondContact O-N 3.23Å; K30-D109 HydrophobicContact CB-CB 3.83Å; K30-D109 HydrophobicContact CD-CB 3.92Å; K30-D109 HydrophobicContact CG-CB 4.04Å; K30-D109 PolarHBondContact N-O 3Å; K30-D109 VanDerWaalsContact N-O 3.12Å; K30-D109 IonicContact NZ-OD2 3.83Å |
| 31 | F | 97.5 | Very high | 95.1 | Very high | 8 Ų | 8 | 52.8 Ų | 52.8 | 4% | 0.035 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 152.1 | -176.8 | -58.6 | -67.3 | 0 | 0 | 0 | 112.7 | L29 H44 V46 F63 I76 M105 E106 P107 | L29-F31 HydrophobicContact CB-CE1 3.77Å; L29-F31 HydrophobicContact CB-CE2 4.13Å; L29-F31 HydrophobicContact CB-CZ 3.51Å; L29-F31 HydrophobicContact CD1-CE1 3.91Å; L29-F31 HydrophobicContact CD1-CZ 3.81Å; L29-F31 HydrophobicContact CG-CE1 4.49Å; L29-F31 HydrophobicContact CG-CZ 4.32Å; F31-H44 HydrophobicContact CD2-CB 4.31Å; F31-H44 AromaticContact CD2-CD2 3.76Å; F31-H44 HydrophobicContact CE2-CB 3.75Å; F31-V46 HydrophobicContact CE2-CG2 4.46Å; F31-V46 HydrophobicContact CZ-CG2 3.89Å; F31-F63 HydrophobicContact CD2-CD1 4.43Å; F31-F63 AromaticContact CD2-CE1 3.82Å; F31-F63 HydrophobicContact CD2-CE1 3.82Å; F31-F63 HydrophobicContact CD2-CZ 4.3Å; F31-F63 AromaticContact CE2-CD1 3.85Å; F31-F63 HydrophobicContact CE2-CD1 3.85Å; F31-F63 AromaticContact CE2-CE1 3.61Å; F31-F63 HydrophobicContact CE2-CE1 3.61Å; F31-F63 HydrophobicContact CE2-CG 4.48Å; F31-F63 HydrophobicContact CE2-CZ 4.07Å; F31-F63 HydrophobicContact CZ-CD1 4.33Å; F31-F63 HydrophobicContact CZ-CE1 4.49Å; F31-I76 HydrophobicContact CD1-CD1 4.23Å; F31-I76 HydrophobicContact CD1-CG1 4.16Å; F31-I76 HydrophobicContact CE1-CD1 3.89Å; F31-I76 HydrophobicContact CE1-CG1 3.58Å; F31-I76 HydrophobicContact CZ-CG1 3.84Å; F31-M105 HydrophobicContact CB-CB 4.39Å; F31-M105 HydrophobicContact CB-CE 3.93Å; F31-M105 HydrophobicContact CB-SD 4.12Å; F31-M105 HydrophobicContact CD1-CG 4.48Å; F31-M105 HydrophobicContact CD1-SD 4.27Å; F31-M105 HydrophobicContact CD2-SD 4.19Å; F31-M105 HydrophobicContact CG-CE 4.31Å; F31-M105 HydrophobicContact CG-SD 3.94Å; F31-E106 WeakPolarHBondContact CA-O 3.49Å; F31-P107 HydrophobicContact CD1-CB 4.11Å; F31-P107 HydrophobicContact CE1-CB 3.99Å |
| 32 | K | 97.2 | Very high | 95.1 | Very high | 81 Ų | 81 | 56.3 Ų | 56.3 | 35% | 0.352 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 131.7 | 167 | 178.9 | -178.9 | -179.9 | -179.2 | 0 | 109.8 | T34 G37 E38 M105 E106 V108 | K32-T34 PolarHBondContact O-N 2.67Å; K32-G37 VanDerWaalsContact CE-O 3.26Å; K32-G37 WeakPolarHBondContact CE-O 3.33Å; K32-G37 WeakPolarHBondContact CG-O 3.4Å; K32-E38 CarbonylContact C-O 3.54Å; K32-E38 WeakPolarHBondContact CA-O 3.11Å; K32-M105 CarbonylContact O-C 3.5Å; K32-M105 WeakPolarHBondContact O-CA 3.18Å; K32-M105 WeakPolarHBondContact O-CB 3.3Å; K32-E106 PolarHBondContact N-O 2.86Å; K32-E106 PolarHBondContact O-N 3.27Å; K32-V108 HydrophobicContact CB-CG1 3.43Å; K32-V108 VanDerWaalsContact CB-CG1 3.43Å; K32-V108 HydrophobicContact CB-CG2 4.37Å; K32-V108 HydrophobicContact CD-CG1 4.28Å |
| 33 | C | 97.8 | Very high | 95.3 | Very high | 6 Ų | 6 | 55 Ų | 55 | 4% | 0.041 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 128.4 | 173.1 | -179.5 | 0 | 0 | 0 | 0 | 110.4 | G35 G37 E38 C67 G104 | C33-G35 VanDerWaalsContact C-N 3.31Å; C33-G35 PolarHBondContact SG-N 2.8Å; C33-G35 VanDerWaalsContact SG-N 3.38Å; C33-G37 WeakPolarHBondContact O-CA 2.97Å; C33-G37 PolarHBondContact O-N 3.07Å; C33-E38 PolarHBondContact N-O 2.75Å; C33-C67 HydrophobicContact CB-CB 4.32Å; C33-G104 WeakPolarHBondContact CA-O 3.3Å |
| 34 | T | 96 | Very high | 95.8 | Very high | 80 Ų | 80 | 52.3 Ų | 52.3 | 49% | 0.491 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80 | -13.8 | 178.2 | 57.3 | 0 | 0 | 0 | 0 | 113.1 | K32 G104 E106 | K32-T34 PolarHBondContact O-N 2.67Å; T34-G104 PolarHBondContact N-O 3.38Å; T34-G104 WeakPolarHBondContact OG1-CA 3.34Å; T34-G104 PolarHBondContact OG1-O 2.9Å; T34-E106 HydrophobicContact CG2-CB 4.45Å; T34-E106 HydrophobicContact CG2-CG 4.22Å |
| 35 | G | 95.2 | Very high | 96.3 | Very high | 55 Ų | 55 | 53 Ų | 53 | 57% | 0.567 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.1 | -51.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | C33 | C33-G35 VanDerWaalsContact C-N 3.31Å; C33-G35 PolarHBondContact SG-N 2.8Å; C33-G35 VanDerWaalsContact SG-N 3.38Å |
| 36 | C | 97.4 | Very high | 96.4 | Very high | 54 Ų | 54 | 52.6 Ų | 52.6 | 37% | 0.365 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.8 | -10.1 | -178.5 | 63.7 | 0 | 0 | 0 | 0 | 114.6 | E38 C67 L69 C70 | C36-E38 VanDerWaalsContact C-N 3.3Å; C36-E38 PolarHBondContact O-N 2.8Å; C36-E38 VanDerWaalsContact SG-CB 3.53Å; C36-C67 PolarHBondContact SG-SG 3.49Å; C36-L69 HydrophobicContact CB-CD2 4.3Å; C36-C70 HydrophobicContact CB-CB 3.97Å; C36-C70 VanDerWaalsContact SG-SG 3.61Å |
| 37 | G | 96.3 | Very high | 96.4 | Very high | 34 Ų | 34 | 49.7 Ų | 49.7 | 35% | 0.351 | 29% | 0.287 | S | S | . | . | trans | 83.3 | -2.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | K32 C33 S39 | K32-G37 VanDerWaalsContact CE-O 3.26Å; K32-G37 WeakPolarHBondContact CE-O 3.33Å; K32-G37 WeakPolarHBondContact CG-O 3.4Å; C33-G37 WeakPolarHBondContact O-CA 2.97Å; C33-G37 PolarHBondContact O-N 3.07Å; G37-S39 PolarHBondContact O-N 2.98Å | ||
| 38 | E | 96.1 | Very high | 96.3 | Very high | 104 Ų | 104 | 52.2 Ų | 52.2 | 49% | 0.486 | 30% | 0.299 | S | S | . | . | trans | -61.6 | 130.2 | 179.6 | -176.7 | 65.5 | -172.7 | 0 | 0 | 111.6 | K32 C33 C36 L69 | K32-E38 CarbonylContact C-O 3.54Å; K32-E38 WeakPolarHBondContact CA-O 3.11Å; C33-E38 PolarHBondContact N-O 2.75Å; C36-E38 VanDerWaalsContact C-N 3.3Å; C36-E38 PolarHBondContact O-N 2.8Å; C36-E38 VanDerWaalsContact SG-CB 3.53Å; E38-L69 HydrophobicContact CB-CB 4.5Å; E38-L69 HydrophobicContact CB-CD2 4.19Å; E38-L69 HydrophobicContact CG-CB 4.47Å | ||
| 39 | S | 94.7 | Very high | 96.1 | Very high | 69 Ų | 69 | 57.5 Ų | 57.5 | 48% | 0.483 | 33% | 0.327 | S | S | . | . | B | Isolated β-bridge | trans | -120.9 | 134.9 | 172.8 | 54.2 | 0 | 0 | 0 | 0 | 109.8 | G37 | G37-S39 PolarHBondContact O-N 2.98Å |
| 40 | S | 89.4 | Confident | 96 | Very high | 50 Ų | 50 | 61.4 Ų | 61.4 | 35% | 0.35 | 35% | 0.346 | S | S | . | . | trans | -105.3 | 146.8 | 174.7 | 62.7 | 0 | 0 | 0 | 0 | 111.7 | V42 | S40-V42 PolarHBondContact O-N 2.77Š| ||
| 41 | D | 92.8 | Very high | 96 | Very high | 136 Ų | 136 | 64.1 Ų | 64.1 | 73% | 0.727 | 36% | 0.358 | S | S | * | . | S | Bend | trans | -78.1 | 13 | 172.6 | -79.2 | -47.8 | 0 | 0 | 0 | 114.9 | K30 | K30-D41 WeakPolarHBondContact CE-O 3.14Å; K30-D41 IonicContact NZ-OD1 3.13Å; K30-D41 PolarHBondContact NZ-OD1 3.4Å |
| 42 | V | 95.7 | Very high | 96 | Very high | 76 Ų | 76 | 68.3 Ų | 68.3 | 46% | 0.461 | 38% | 0.376 | S | S | . | . | trans | -87.6 | 126.3 | -179.6 | -179.3 | 0 | 0 | 0 | 0 | 110 | S40 H44 | S40-V42 PolarHBondContact O-N 2.77Å; V42-H44 PolarHBondContact O-CD2 2.88Å | ||
| 43 | W | 97.2 | Very high | 96 | Very high | 94 Ų | 94 | 70.2 Ų | 70.2 | 36% | 0.356 | 39% | 0.39 | S | S | . | . | trans | -73.7 | 136.7 | 169.4 | -66.3 | 108.4 | 0 | 0 | 0 | 110.7 | L28 K30 D109 N111 | L28-W43 HydrophobicContact CB-CE3 4.23Å; K30-W43 HydrophobicContact CD-CH2 4.42Å; K30-W43 HydrophobicContact CD-CZ2 4.4Å; K30-W43 HydrophobicContact CG-CD2 4.02Å; K30-W43 HydrophobicContact CG-CE3 3.77Å; K30-W43 HydrophobicContact CG-CH2 4.22Å; K30-W43 HydrophobicContact CG-CZ2 4.47Å; K30-W43 HydrophobicContact CG-CZ3 3.87Å; W43-D109 HydrophobicContact CH2-CB 4.01Å; W43-D109 HydrophobicContact CZ3-CB 4.26Å; W43-N111 HydrophobicContact CD2-CB 4.17Å; W43-N111 HydrophobicContact CE3-CB 3.89Å; W43-N111 HydrophobicContact CH2-CB 3.6Å; W43-N111 HydrophobicContact CZ2-CB 3.86Å; W43-N111 HydrophobicContact CZ3-CB 3.61Å; W43-N111 VanDerWaalsContact CZ3-N 3.28Å | ||
| 44 | H | 97.7 | Very high | 95.9 | Very high | 55 Ų | 55 | 70.9 Ų | 70.9 | 26% | 0.255 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 133.1 | 176.4 | -68.3 | -66.4 | 0 | 0 | 0 | 110.4 | L29 F31 V42 F63 | L29-H44 PolarHBondContact N-O 2.96Å; L29-H44 PolarHBondContact O-N 3Å; F31-H44 HydrophobicContact CD2-CB 4.31Å; F31-H44 AromaticContact CD2-CD2 3.76Å; F31-H44 HydrophobicContact CE2-CB 3.75Å; V42-H44 PolarHBondContact O-CD2 2.88Å; H44-F63 HydrophobicContact CB-CE2 3.88Å; H44-F63 HydrophobicContact CB-CZ 4.04Å; H44-F63 AromaticContact CG-CE2 3.84Å; H44-F63 AromaticContact CG-CZ 3.68Å; H44-F63 AromaticContact ND1-CE2 3.77Å; H44-F63 AromaticContact ND1-CZ 3.78Å |
| 45 | D | 96.7 | Very high | 95.8 | Very high | 65 Ų | 65 | 70.2 Ų | 70.2 | 35% | 0.348 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 127.3 | 173.9 | -62.1 | 11.7 | 0 | 0 | 0 | 108.9 | R26 L28 | R26-D45 HydrophobicContact CB-CB 4.26Å; R26-D45 WeakPolarHBondContact CD-OD2 3.45Å; R26-D45 IonicContact CZ-OD2 3.05Å; R26-D45 IonicContact NH1-OD2 2.95Å; R26-D45 PolarHBondContact NH1-OD2 3.36Å; L28-D45 WeakPolarHBondContact CD2-OD1 3.35Å |
| 46 | V | 97.7 | Very high | 95.7 | Very high | 0 Ų | 0 | 74.4 Ų | 74.4 | 0% | 0 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 111.7 | 167.1 | -171.6 | 0 | 0 | 0 | 0 | 108.2 | W27 L29 F31 N62 F63 I76 I78 | W27-V46 HydrophobicContact CB-CB 4.28Å; W27-V46 PolarHBondContact N-O 3.16Å; W27-V46 PolarHBondContact O-N 3.34Å; L29-V46 HydrophobicContact CD1-CB 4.44Å; L29-V46 HydrophobicContact CD1-CG2 3.93Å; F31-V46 HydrophobicContact CE2-CG2 4.46Å; F31-V46 HydrophobicContact CZ-CG2 3.89Å; V46-N62 HydrophobicContact CG1-CB 3.53Å; V46-F63 HydrophobicContact CG1-CB 4.35Å; V46-F63 HydrophobicContact CG2-CB 3.97Å; V46-F63 HydrophobicContact CG2-CG 4.38Å; V46-I76 HydrophobicContact CG1-CG2 4.3Å; V46-I78 HydrophobicContact CG1-CD1 3.88Å; V46-I78 HydrophobicContact CG1-CG1 4.11Å |
| 47 | I | 97 | Very high | 95.4 | Very high | 30 Ų | 30 | 74.5 Ų | 74.5 | 15% | 0.154 | 41% | 0.412 | C | S | . | . | trans | -109.2 | 134.4 | -173.6 | -61.3 | 169.1 | 0 | 0 | 0 | 108.9 | R26 D49 E50 N62 | R26-I47 HydrophobicContact CB-CG1 4.06Å; I47-D49 VanDerWaalsContact C-N 3.34Å; I47-D49 PolarHBondContact O-N 2.86Å; I47-E50 HydrophobicContact CB-CB 4.21Å; I47-E50 HydrophobicContact CB-CG 3.93Å; I47-E50 HydrophobicContact CD1-CG 4.39Å; I47-E50 HydrophobicContact CG2-CG 4.03Å; I47-E50 PolarHBondContact O-N 2.98Å; I47-N62 PolarHBondContact O-ND2 3.48Å | ||
| 48 | E | 95.3 | Very high | 95.2 | Very high | 56 Ų | 56 | 85.3 Ų | 85.3 | 26% | 0.262 | 44% | 0.442 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -39.1 | -173.8 | -175.6 | 167.2 | -170.4 | 0 | 0 | 113.4 | Y22 N62 I78 | Y22-E48 PolarHBondContact OH-OE2 3.49Å; E48-N62 PolarHBondContact O-ND2 2.95Å; E48-I78 HydrophobicContact CB-CD1 4.06Å; E48-I78 HydrophobicContact CG-CG2 4.41Å |
| 49 | D | 94.3 | Very high | 95.1 | Very high | 126 Ų | 126 | 81.8 Ų | 81.8 | 67% | 0.674 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.1 | -12.2 | -176.8 | -69.4 | -31 | 0 | 0 | 0 | 113.9 | I47 | I47-D49 VanDerWaalsContact C-N 3.34Å; I47-D49 PolarHBondContact O-N 2.86Å |
| 50 | E | 95.9 | Very high | 95.2 | Very high | 83 Ų | 83 | 83.5 Ų | 83.5 | 39% | 0.388 | 43% | 0.434 | S | S | . | . | trans | -85.1 | 133.3 | 176 | -68.3 | -168.2 | 168.8 | 0 | 0 | 110.9 | I47 F52 N62 | I47-E50 HydrophobicContact CB-CB 4.21Å; I47-E50 HydrophobicContact CB-CG 3.93Å; I47-E50 HydrophobicContact CD1-CG 4.39Å; I47-E50 HydrophobicContact CG2-CG 4.03Å; I47-E50 PolarHBondContact O-N 2.98Å; E50-F52 HydrophobicContact CB-CE2 3.93Å; E50-F52 HydrophobicContact CB-CZ 4.26Å; E50-F52 WeakPolarHBondContact OE2-CZ 3.42Å; E50-N62 VanDerWaalsContact O-CA 3.32Å; E50-N62 WeakPolarHBondContact O-CA 3.12Å; E50-N62 PolarHBondContact O-ND2 2.95Å | ||
| 51 | K | 97 | Very high | 95.6 | Very high | 85 Ų | 85 | 81.1 Ų | 81.1 | 37% | 0.37 | 42% | 0.418 | S | S | . | . | trans | -134.7 | 128.7 | 176.6 | -65.6 | -64.1 | -178.7 | -169.5 | 0 | 110 | Q60 N62 D77 | K51-Q60 HydrophobicContact CB-CB 4.16Å; K51-N62 WeakPolarHBondContact CE-ND2 3.48Å; K51-N62 PolarHBondContact NZ-ND2 2.77Å; K51-N62 PolarHBondContact NZ-OD1 3.48Å; K51-D77 IonicContact NZ-OD1 2.67Å; K51-D77 PolarHBondContact NZ-OD1 3.38Å | ||
| 52 | F | 97.9 | Very high | 95.8 | Very high | 96 Ų | 96 | 74.7 Ų | 74.7 | 42% | 0.421 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 140 | 179.5 | -56.9 | -83.5 | 0 | 0 | 0 | 110.4 | E50 I54 Q60 A61 N62 V64 | E50-F52 HydrophobicContact CB-CE2 3.93Å; E50-F52 HydrophobicContact CB-CZ 4.26Å; E50-F52 WeakPolarHBondContact OE2-CZ 3.42Å; F52-I54 PolarHBondContact O-N 2.97Å; F52-Q60 CarbonylContact O-C 3.56Å; F52-Q60 WeakPolarHBondContact O-CA 3.41Å; F52-Q60 WeakPolarHBondContact O-CB 3.23Å; F52-A61 PolarHBondContact N-O 2.96Å; F52-A61 PolarHBondContact O-N 3.1Å; F52-N62 WeakPolarHBondContact CD2-O 3.35Å; F52-N62 WeakPolarHBondContact CE2-O 3.31Å; F52-V64 HydrophobicContact CB-CB 4.29Å; F52-V64 HydrophobicContact CB-CG2 3.92Å |
| 53 | D | 97.8 | Very high | 95.9 | Very high | 121 Ų | 121 | 72.3 Ų | 72.3 | 65% | 0.647 | 37% | 0.367 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65 | 131.2 | 176.2 | -67.7 | -30.7 | 0 | 0 | 0 | 110.9 | P55 Q60 | D53-P55 WeakPolarHBondContact O-CD 3.42Å; D53-Q60 WeakPolarHBondContact OD1-CG 3.46Å; D53-Q60 PolarHBondContact OD1-NE2 2.87Å |
| 54 | I | 96.5 | Very high | 95.9 | Very high | 20 Ų | 20 | 69.5 Ų | 69.5 | 10% | 0.103 | 36% | 0.36 | C | S | . | . | P | Polyproline II helix | trans | -83.9 | 120.8 | 175.2 | -59.2 | 169 | 0 | 0 | 0 | 108.3 | F52 S56 S57 G59 A61 V64 | F52-I54 PolarHBondContact O-N 2.97Å; I54-S56 PolarHBondContact O-N 2.9Å; I54-S57 WeakPolarHBondContact O-CB 3.47Å; I54-S57 PolarHBondContact O-N 3.04Å; I54-G59 WeakPolarHBondContact CB-O 2.99Å; I54-G59 PolarHBondContact N-O 3.35Å; I54-A61 HydrophobicContact CD1-CB 3.97Å; I54-A61 HydrophobicContact CG1-CB 4.14Å; I54-V64 HydrophobicContact CG1-CG2 3.92Å |
| 55 | P | 94 | Very high | 95.9 | Very high | 65 Ų | 65 | 68.6 Ų | 68.6 | 42% | 0.422 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.1 | 135.6 | 177.9 | -30 | 37.3 | 0 | 0 | 0 | 112.7 | D53 S57 | D53-P55 WeakPolarHBondContact O-CD 3.42Å; P55-S57 PolarHBondContact O-N 3.44Å; P55-S57 VanDerWaalsContact O-N 3.15Å |
| 56 | S | 91.2 | Very high | 95.8 | Very high | 143 Ų | 143 | 72 Ų | 72 | 100% | 1 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.3 | 17.5 | -179 | -52.4 | 0 | 0 | 0 | 0 | 115.1 | I54 | I54-S56 PolarHBondContact O-N 2.9Š|
| 57 | S | 92.7 | Very high | 95.8 | Very high | 56 Ų | 56 | 72.8 Ų | 72.8 | 39% | 0.392 | 38% | 0.376 | S | S | . | . | S | Bend | trans | -125.8 | 160.2 | 175.2 | 177.8 | 0 | 0 | 0 | 0 | 109.9 | I54 P55 G59 | I54-S57 WeakPolarHBondContact O-CB 3.47Å; I54-S57 PolarHBondContact O-N 3.04Å; P55-S57 PolarHBondContact O-N 3.44Å; P55-S57 VanDerWaalsContact O-N 3.15Å; S57-G59 VanDerWaalsContact C-N 3.32Å; S57-G59 PolarHBondContact OG-N 2.66Å; S57-G59 VanDerWaalsContact OG-N 3.1Å |
| 58 | R | 90.8 | Very high | 95.6 | Very high | 262 Ų | 262 | 81.5 Ų | 81.5 | 99% | 0.989 | 41% | 0.413 | S | S | * | . | S | Bend | trans | -91.1 | 0.7 | 169.8 | -64.1 | -174.1 | -66.8 | 169.2 | -0.8 | 112.6 | ||
| 59 | G | 94 | Very high | 95.6 | Very high | 30 Ų | 30 | 84.6 Ų | 84.6 | 31% | 0.309 | 43% | 0.43 | S | S | . | . | trans | -96.9 | 161.5 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | I54 S57 | I54-G59 WeakPolarHBondContact CB-O 2.99Å; I54-G59 PolarHBondContact N-O 3.35Å; S57-G59 VanDerWaalsContact C-N 3.32Å; S57-G59 PolarHBondContact OG-N 2.66Å; S57-G59 VanDerWaalsContact OG-N 3.1Å | ||
| 60 | Q | 97.2 | Very high | 95.8 | Very high | 104 Ų | 104 | 81.6 Ų | 81.6 | 49% | 0.486 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 159.7 | 172.9 | -60 | -176.8 | -49.5 | 0 | 0 | 109.5 | K51 F52 D53 | K51-Q60 HydrophobicContact CB-CB 4.16Å; F52-Q60 CarbonylContact O-C 3.56Å; F52-Q60 WeakPolarHBondContact O-CA 3.41Å; F52-Q60 WeakPolarHBondContact O-CB 3.23Å; D53-Q60 WeakPolarHBondContact OD1-CG 3.46Å; D53-Q60 PolarHBondContact OD1-NE2 2.87Å |
| 61 | A | 97.6 | Very high | 95.8 | Very high | 1 Ų | 1 | 79.8 Ų | 79.8 | 1% | 0.008 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 160.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | F52 I54 F63 V64 D77 | F52-A61 PolarHBondContact N-O 2.96Å; F52-A61 PolarHBondContact O-N 3.1Å; I54-A61 HydrophobicContact CD1-CB 3.97Å; I54-A61 HydrophobicContact CG1-CB 4.14Å; A61-F63 VanDerWaalsContact C-N 3.25Å; A61-F63 PolarHBondContact O-N 2.69Å; A61-V64 HydrophobicContact CB-CG2 4.04Å; A61-D77 WeakPolarHBondContact CA-OD1 3.26Å; A61-D77 HydrophobicContact CB-CB 4.05Å |
| 62 | N | 97.7 | Very high | 95.7 | Very high | 0 Ų | 0 | 80.1 Ų | 80.1 | 0% | 0 | 43% | 0.426 | C | S | . | . | S | Bend | trans | -68 | -23.2 | 177.5 | -63.9 | 106.8 | 0 | 0 | 0 | 114.1 | V46 I47 E48 E50 K51 F52 I76 D77 I78 | V46-N62 HydrophobicContact CG1-CB 3.53Å; I47-N62 PolarHBondContact O-ND2 3.48Å; E48-N62 PolarHBondContact O-ND2 2.95Å; E50-N62 VanDerWaalsContact O-CA 3.32Å; E50-N62 WeakPolarHBondContact O-CA 3.12Å; E50-N62 PolarHBondContact O-ND2 2.95Å; K51-N62 WeakPolarHBondContact CE-ND2 3.48Å; K51-N62 PolarHBondContact NZ-ND2 2.77Å; K51-N62 PolarHBondContact NZ-OD1 3.48Å; F52-N62 WeakPolarHBondContact CD2-O 3.35Å; F52-N62 WeakPolarHBondContact CE2-O 3.31Å; N62-I76 PolarHBondContact N-O 2.92Å; N62-D77 PolarHBondContact N-OD1 2.81Å; N62-D77 PolarHBondContact OD1-OD1 2.89Å; N62-I78 HydrophobicContact CB-CD1 4.36Å; N62-I78 WeakPolarHBondContact OD1-CB 3.21Å; N62-I78 PolarHBondContact OD1-N 2.93Å |
| 63 | F | 97.8 | Very high | 95.6 | Very high | 27 Ų | 27 | 77.9 Ų | 77.9 | 12% | 0.118 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 136.2 | 174.7 | 176.6 | -99.5 | 0 | 0 | 0 | 109.9 | F31 H44 V46 A61 C65 S75 I76 M105 | F31-F63 HydrophobicContact CD2-CD1 4.43Å; F31-F63 AromaticContact CD2-CE1 3.82Å; F31-F63 HydrophobicContact CD2-CE1 3.82Å; F31-F63 HydrophobicContact CD2-CZ 4.3Å; F31-F63 AromaticContact CE2-CD1 3.85Å; F31-F63 HydrophobicContact CE2-CD1 3.85Å; F31-F63 AromaticContact CE2-CE1 3.61Å; F31-F63 HydrophobicContact CE2-CE1 3.61Å; F31-F63 HydrophobicContact CE2-CG 4.48Å; F31-F63 HydrophobicContact CE2-CZ 4.07Å; F31-F63 HydrophobicContact CZ-CD1 4.33Å; F31-F63 HydrophobicContact CZ-CE1 4.49Å; H44-F63 HydrophobicContact CB-CE2 3.88Å; H44-F63 HydrophobicContact CB-CZ 4.04Å; H44-F63 AromaticContact CG-CE2 3.84Å; H44-F63 AromaticContact CG-CZ 3.68Å; H44-F63 AromaticContact ND1-CE2 3.77Å; H44-F63 AromaticContact ND1-CZ 3.78Å; V46-F63 HydrophobicContact CG1-CB 4.35Å; V46-F63 HydrophobicContact CG2-CB 3.97Å; V46-F63 HydrophobicContact CG2-CG 4.38Å; A61-F63 VanDerWaalsContact C-N 3.25Å; A61-F63 PolarHBondContact O-N 2.69Å; F63-C65 HydrophobicContact CE1-CB 4Å; F63-C65 HydrophobicContact CZ-CB 3.99Å; F63-S75 CarbonylContact O-C 3.57Å; F63-S75 WeakPolarHBondContact O-CA 3.26Å; F63-I76 HydrophobicContact CB-CB 4.22Å; F63-I76 HydrophobicContact CD1-CB 4.5Å; F63-I76 HydrophobicContact CD1-CG1 4.28Å; F63-I76 PolarHBondContact N-O 3.3Å; F63-I76 PolarHBondContact O-N 3.09Å; F63-M105 HydrophobicContact CD1-SD 4.19Å; F63-M105 HydrophobicContact CE1-CE 4.42Å; F63-M105 HydrophobicContact CE1-SD 3.9Å |
| 64 | V | 97.8 | Very high | 95.5 | Very high | 35 Ų | 35 | 72.2 Ų | 72.2 | 21% | 0.212 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 128.8 | -178.1 | 178.7 | 0 | 0 | 0 | 0 | 108.9 | F52 I54 A61 | F52-V64 HydrophobicContact CB-CB 4.29Å; F52-V64 HydrophobicContact CB-CG2 3.92Å; I54-V64 HydrophobicContact CG1-CG2 3.92Å; A61-V64 HydrophobicContact CB-CG2 4.04Å |
| 65 | C | 96.3 | Very high | 95.5 | Very high | 36 Ų | 36 | 71.5 Ų | 71.5 | 24% | 0.243 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 174.2 | 176.2 | 79.3 | 0 | 0 | 0 | 0 | 112.1 | F63 Q73 S74 M105 | F63-C65 HydrophobicContact CE1-CB 4Å; F63-C65 HydrophobicContact CZ-CB 3.99Å; C65-Q73 PolarHBondContact O-NE2 2.74Å; C65-Q73 VanDerWaalsContact O-NE2 3.15Å; C65-S74 PolarHBondContact N-O 3.38Å; C65-S74 PolarHBondContact O-N 3.27Å; C65-S74 VanDerWaalsContact O-O 3.13Å; C65-M105 WeakPolarHBondContact SG-CE 3.48Å |
| 66 | K | 96.1 | Very high | 95.7 | Very high | 137 Ų | 137 | 68.4 Ų | 68.4 | 60% | 0.596 | 36% | 0.363 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 138.5 | 168.7 | -72.1 | -176.1 | 178 | -178.5 | 0 | 109.7 | K68 E72 Q73 | K66-K68 PolarHBondContact O-N 2.9Å; K66-E72 CarbonylContact C-O 3.59Å; K66-E72 VanDerWaalsContact CA-O 3.31Å; K66-E72 WeakPolarHBondContact CA-O 3.41Å; K66-Q73 VanDerWaalsContact CG-OE1 3.25Å |
| 67 | C | 96.2 | Very high | 96.1 | Very high | 15 Ų | 15 | 63.6 Ų | 63.6 | 10% | 0.101 | 33% | 0.326 | C | S | . | . | trans | -60.4 | 125.1 | 169.9 | -179.8 | 0 | 0 | 0 | 0 | 109.6 | C33 C36 L69 C70 G71 E72 | C33-C67 HydrophobicContact CB-CB 4.32Å; C36-C67 PolarHBondContact SG-SG 3.49Å; C67-L69 PolarHBondContact O-N 3.31Å; C67-L69 PolarHBondContact SG-N 2.9Å; C67-C70 VanDerWaalsContact SG-SG 3.62Å; C67-G71 VanDerWaalsContact O-CA 3.25Å; C67-G71 WeakPolarHBondContact O-CA 3.36Å; C67-G71 PolarHBondContact O-N 2.94Å; C67-E72 HydrophobicContact CB-CB 4.22Å; C67-E72 PolarHBondContact N-O 2.79Å | ||
| 68 | K | 93.8 | Very high | 96.3 | Very high | 214 Ų | 214 | 61.1 Ų | 61.1 | 93% | 0.93 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66 | -21.4 | -180 | -65.7 | -178.4 | -179.2 | 175.1 | 0 | 113.3 | K66 | K66-K68 PolarHBondContact O-N 2.9Š|
| 69 | L | 95.6 | Very high | 96.6 | Very high | 120 Ų | 120 | 51.2 Ų | 51.2 | 63% | 0.628 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.9 | -55.5 | -177.5 | -174.8 | 63.4 | 0 | 0 | 0 | 112.6 | C36 E38 C67 | C36-L69 HydrophobicContact CB-CD2 4.3Å; E38-L69 HydrophobicContact CB-CB 4.5Å; E38-L69 HydrophobicContact CB-CD2 4.19Å; E38-L69 HydrophobicContact CG-CB 4.47Å; C67-L69 PolarHBondContact O-N 3.31Å; C67-L69 PolarHBondContact SG-N 2.9Å |
| 70 | C | 97.4 | Very high | 96.6 | Very high | 63 Ų | 63 | 58.7 Ų | 58.7 | 43% | 0.426 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.2 | -5.2 | -174.9 | 67.1 | 0 | 0 | 0 | 0 | 114.8 | C36 C67 E72 | C36-C70 HydrophobicContact CB-CB 3.97Å; C36-C70 VanDerWaalsContact SG-SG 3.61Å; C67-C70 VanDerWaalsContact SG-SG 3.62Å; C70-E72 PolarHBondContact O-N 3.46Å; C70-E72 VanDerWaalsContact SG-CB 3.54Å |
| 71 | G | 95.5 | Very high | 96.5 | Very high | 46 Ų | 46 | 60.4 Ų | 60.4 | 47% | 0.474 | 31% | 0.31 | S | S | . | . | trans | 74.4 | 3.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | C67 Q73 | C67-G71 VanDerWaalsContact O-CA 3.25Å; C67-G71 WeakPolarHBondContact O-CA 3.36Å; C67-G71 PolarHBondContact O-N 2.94Å; G71-Q73 PolarHBondContact O-N 3.49Å | ||
| 72 | E | 95.2 | Very high | 96.4 | Very high | 92 Ų | 92 | 60.9 Ų | 60.9 | 43% | 0.43 | 31% | 0.314 | S | S | . | . | trans | -54.3 | 131.4 | 177.2 | -172.6 | 65.2 | -149.5 | 0 | 0 | 110.7 | K66 C67 C70 | K66-E72 CarbonylContact C-O 3.59Å; K66-E72 VanDerWaalsContact CA-O 3.31Å; K66-E72 WeakPolarHBondContact CA-O 3.41Å; C67-E72 HydrophobicContact CB-CB 4.22Å; C67-E72 PolarHBondContact N-O 2.79Å; C70-E72 PolarHBondContact O-N 3.46Å; C70-E72 VanDerWaalsContact SG-CB 3.54Å | ||
| 73 | Q | 96.1 | Very high | 96.4 | Very high | 49 Ų | 49 | 62.1 Ų | 62.1 | 23% | 0.229 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 119.5 | 176.7 | -176.2 | 69.4 | 52.1 | 0 | 0 | 109.5 | C65 K66 G71 | C65-Q73 PolarHBondContact O-NE2 2.74Å; C65-Q73 VanDerWaalsContact O-NE2 3.15Å; K66-Q73 VanDerWaalsContact CG-OE1 3.25Å; G71-Q73 PolarHBondContact O-N 3.49Å |
| 74 | S | 96.5 | Very high | 96.4 | Very high | 1 Ų | 1 | 66.8 Ų | 66.8 | 1% | 0.007 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 153.1 | -174.6 | -58.5 | 0 | 0 | 0 | 0 | 112 | C65 R103 G104 | C65-S74 PolarHBondContact N-O 3.38Å; C65-S74 PolarHBondContact O-N 3.27Å; C65-S74 VanDerWaalsContact O-O 3.13Å; S74-R103 CarbonylContact C-O 3.57Å; S74-R103 WeakPolarHBondContact CA-O 3.19Å; S74-R103 VanDerWaalsContact CB-O 3.25Å; S74-R103 WeakPolarHBondContact CB-O 3.23Å; S74-G104 WeakPolarHBondContact OG-CA 3.48Å; S74-G104 PolarHBondContact OG-O 2.99Å; S74-G104 VanDerWaalsContact OG-O 3.05Å |
| 75 | S | 97.2 | Very high | 96.3 | Very high | 5 Ų | 5 | 67.5 Ų | 67.5 | 4% | 0.035 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 149.8 | 176 | 66.2 | 0 | 0 | 0 | 0 | 112.2 | F63 R103 | F63-S75 CarbonylContact O-C 3.57Å; F63-S75 WeakPolarHBondContact O-CA 3.26Å; S75-R103 PolarHBondContact N-O 2.76Å; S75-R103 PolarHBondContact O-N 3.3Å |
| 76 | I | 97.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 126.1 | 171.7 | -59.9 | -68.3 | 0 | 0 | 0 | 108.2 | F31 V46 N62 F63 F100 D101 C102 M105 | F31-I76 HydrophobicContact CD1-CD1 4.23Å; F31-I76 HydrophobicContact CD1-CG1 4.16Å; F31-I76 HydrophobicContact CE1-CD1 3.89Å; F31-I76 HydrophobicContact CE1-CG1 3.58Å; F31-I76 HydrophobicContact CZ-CG1 3.84Å; V46-I76 HydrophobicContact CG1-CG2 4.3Å; N62-I76 PolarHBondContact N-O 2.92Å; F63-I76 HydrophobicContact CB-CB 4.22Å; F63-I76 HydrophobicContact CD1-CB 4.5Å; F63-I76 HydrophobicContact CD1-CG1 4.28Å; F63-I76 PolarHBondContact N-O 3.3Å; F63-I76 PolarHBondContact O-N 3.09Å; I76-F100 HydrophobicContact CG2-CB 4.08Å; I76-F100 HydrophobicContact CG2-CD1 3.76Å; I76-F100 HydrophobicContact CG2-CG 4.16Å; I76-D101 WeakPolarHBondContact CA-O 3.36Å; I76-C102 HydrophobicContact CD1-CB 3.99Å; I76-M105 HydrophobicContact CD1-CG 3.88Å; I76-M105 HydrophobicContact CD1-SD 4.41Å; I76-M105 HydrophobicContact CG1-CG 4.12Å; I76-M105 HydrophobicContact CG1-SD 3.99Å |
| 77 | D | 97.8 | Very high | 96.2 | Very high | 43 Ų | 43 | 64.2 Ų | 64.2 | 23% | 0.23 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 131.4 | 174.9 | -163.9 | 47.2 | 0 | 0 | 0 | 110 | K51 A61 N62 M79 F100 D101 | K51-D77 IonicContact NZ-OD1 2.67Å; K51-D77 PolarHBondContact NZ-OD1 3.38Å; A61-D77 WeakPolarHBondContact CA-OD1 3.26Å; A61-D77 HydrophobicContact CB-CB 4.05Å; N62-D77 PolarHBondContact N-OD1 2.81Å; N62-D77 PolarHBondContact OD1-OD1 2.89Å; D77-M79 PolarHBondContact O-N 3.42Å; D77-F100 CarbonylContact O-C 3.51Å; D77-F100 WeakPolarHBondContact O-CA 3.22Å; D77-D101 HydrophobicContact CB-CB 4.34Å; D77-D101 PolarHBondContact N-O 2.88Å; D77-D101 PolarHBondContact O-N 3.12Å |
| 78 | I | 97.9 | Very high | 96.1 | Very high | 3 Ų | 3 | 64.8 Ų | 64.8 | 2% | 0.015 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 120.2 | 172 | -67.3 | 160.3 | 0 | 0 | 0 | 107.3 | V46 E48 N62 K80 V83 V98 F100 | V46-I78 HydrophobicContact CG1-CD1 3.88Å; V46-I78 HydrophobicContact CG1-CG1 4.11Å; E48-I78 HydrophobicContact CB-CD1 4.06Å; E48-I78 HydrophobicContact CG-CG2 4.41Å; N62-I78 HydrophobicContact CB-CD1 4.36Å; N62-I78 WeakPolarHBondContact OD1-CB 3.21Å; N62-I78 PolarHBondContact OD1-N 2.93Å; I78-K80 PolarHBondContact O-N 2.89Å; I78-V83 HydrophobicContact CG2-CG2 3.84Å; I78-V98 HydrophobicContact CG1-CG2 4.43Å; I78-V98 HydrophobicContact CG2-CG2 3.77Å; I78-F100 HydrophobicContact CG1-CD1 3.99Å; I78-F100 HydrophobicContact CG1-CE1 3.81Å |
| 79 | M | 96.8 | Very high | 96.1 | Very high | 54 Ų | 54 | 60.3 Ų | 60.3 | 27% | 0.266 | 31% | 0.311 | S | S | . | . | P | Polyproline II helix | trans | -64.8 | 131 | 179.1 | -73.1 | -167.4 | 62.1 | 0 | 0 | 110.4 | K3 D77 N81 S82 V99 D101 | K3-M79 HydrophobicContact CD-CE 4.28Å; K3-M79 HydrophobicContact CD-SD 3.7Å; K3-M79 HydrophobicContact CG-SD 3.99Å; D77-M79 PolarHBondContact O-N 3.42Å; M79-N81 PolarHBondContact O-N 3.05Å; M79-S82 WeakPolarHBondContact O-CB 3.35Å; M79-S82 PolarHBondContact O-N 2.83Å; M79-S82 PolarHBondContact O-OG 2.94Å; M79-V99 HydrophobicContact CB-CB 4.25Å; M79-V99 WeakPolarHBondContact CB-O 3.39Å; M79-V99 HydrophobicContact CG-CB 4.29Å; M79-V99 HydrophobicContact CG-CG1 4.13Å; M79-V99 PolarHBondContact N-O 3.42Å; M79-V99 HydrophobicContact SD-CB 4Å; M79-V99 HydrophobicContact SD-CG1 3.42Å; M79-V99 WeakPolarHBondContact SD-CG1 3.16Å; M79-D101 HydrophobicContact CG-CB 4.29Å |
| 80 | K | 94.1 | Very high | 95.9 | Very high | 187 Ų | 187 | 58.1 Ų | 58.1 | 81% | 0.813 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.1 | 138 | 176.1 | -65.5 | -172.6 | 179.2 | -173.3 | 0 | 111.4 | I78 S82 | I78-K80 PolarHBondContact O-N 2.89Å; K80-S82 PolarHBondContact O-N 2.78Å; K80-S82 VanDerWaalsContact O-N 3.16Å |
| 81 | N | 94.5 | Very high | 95.8 | Very high | 141 Ų | 141 | 57.2 Ų | 57.2 | 75% | 0.754 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.3 | 28.8 | -179.2 | -50.9 | -43.8 | 0 | 0 | 0 | 112.8 | M79 R84 | M79-N81 PolarHBondContact O-N 3.05Å; N81-R84 VanDerWaalsContact C-NH1 3.29Å; N81-R84 PolarHBondContact O-NH1 2.95Å; N81-R84 PolarHBondContact O-NH2 3.16Å |
| 82 | S | 97 | Very high | 95.8 | Very high | 11 Ų | 11 | 60.9 Ų | 60.9 | 8% | 0.077 | 30% | 0.295 | C | S | . | . | trans | -99.3 | -23.7 | 174.9 | 75 | 0 | 0 | 0 | 0 | 113.4 | M79 K80 R84 V99 | M79-S82 WeakPolarHBondContact O-CB 3.35Å; M79-S82 PolarHBondContact O-N 2.83Å; M79-S82 PolarHBondContact O-OG 2.94Å; K80-S82 PolarHBondContact O-N 2.78Å; K80-S82 VanDerWaalsContact O-N 3.16Å; S82-R84 PolarHBondContact O-NH1 2.93Å; S82-V99 PolarHBondContact OG-N 3.17Å; S82-V99 VanDerWaalsContact OG-N 3.1Å; S82-V99 PolarHBondContact OG-O 2.91Å | ||
| 83 | V | 97.3 | Very high | 96 | Very high | 25 Ų | 25 | 61.6 Ų | 61.6 | 15% | 0.152 | 30% | 0.3 | C | S | . | . | trans | -66.4 | 133.4 | 178.1 | 180 | 0 | 0 | 0 | 0 | 110.8 | P20 W27 I78 M97 V98 | P20-V83 HydrophobicContact CB-CG1 4.46Å; P20-V83 HydrophobicContact CG-CG1 3.73Å; W27-V83 HydrophobicContact CZ2-CG1 4.2Å; W27-V83 HydrophobicContact CZ2-CG2 4.45Å; I78-V83 HydrophobicContact CG2-CG2 3.84Å; V83-M97 CarbonylContact C-O 3.51Å; V83-M97 WeakPolarHBondContact CA-O 3.46Å; V83-V98 HydrophobicContact CG2-CB 4.3Å; V83-V98 HydrophobicContact CG2-CG2 3.81Å | ||
| 84 | R | 96.6 | Very high | 96.1 | Very high | 126 Ų | 126 | 63.3 Ų | 63.3 | 48% | 0.475 | 31% | 0.305 | S | S | . | . | trans | -134.6 | 155.9 | -177.7 | -63.2 | -65.7 | 178.4 | -82.4 | -2.7 | 110.9 | N81 S82 M97 | N81-R84 VanDerWaalsContact C-NH1 3.29Å; N81-R84 PolarHBondContact O-NH1 2.95Å; N81-R84 PolarHBondContact O-NH2 3.16Å; S82-R84 PolarHBondContact O-NH1 2.93Å; R84-M97 PolarHBondContact N-O 2.6Å; R84-M97 WeakPolarHBondContact O-CE 3.31Å | ||
| 85 | S | 96.4 | Very high | 96.1 | Very high | 50 Ų | 50 | 64.1 Ų | 64.1 | 35% | 0.35 | 31% | 0.308 | S | S | . | . | trans | -79.5 | 148.4 | 163.7 | -47.6 | 0 | 0 | 0 | 0 | 110.3 | L18 S19 | L18-S85 CarbonylContact O-C 3.55Å; L18-S85 WeakPolarHBondContact O-CA 3.35Å; L18-S85 WeakPolarHBondContact O-CB 3.43Å; S19-S85 WeakPolarHBondContact CB-OG 3.47Å | ||
| 86 | Y | 96.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 69.7 Ų | 69.7 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 124.3 | 169 | -171.3 | -93.7 | 0 | 0 | 0 | 108.9 | F10 L18 L90 E92 M93 Q95 M97 | F10-Y86 HydrophobicContact CB-CD1 4.5Å; F10-Y86 HydrophobicContact CB-CE1 4Å; F10-Y86 AromaticContact CD2-CD1 3.67Å; F10-Y86 HydrophobicContact CD2-CD1 3.67Å; F10-Y86 AromaticContact CD2-CD2 3.45Å; F10-Y86 HydrophobicContact CD2-CD2 3.45Å; F10-Y86 VanDerWaalsContact CD2-CD2 3.45Å; F10-Y86 AromaticContact CD2-CE1 3.85Å; F10-Y86 HydrophobicContact CD2-CE1 3.85Å; F10-Y86 AromaticContact CD2-CE2 3.65Å; F10-Y86 HydrophobicContact CD2-CE2 3.65Å; F10-Y86 AromaticContact CD2-CG 3.46Å; F10-Y86 HydrophobicContact CD2-CG 3.46Å; F10-Y86 VanDerWaalsContact CD2-CG 3.46Å; F10-Y86 AromaticContact CD2-CZ 3.85Å; F10-Y86 HydrophobicContact CE2-CD1 4.43Å; F10-Y86 AromaticContact CE2-CD2 3.78Å; F10-Y86 HydrophobicContact CE2-CD2 3.78Å; F10-Y86 HydrophobicContact CE2-CE2 4.34Å; F10-Y86 AromaticContact CE2-CG 3.83Å; F10-Y86 HydrophobicContact CE2-CG 3.83Å; F10-Y86 HydrophobicContact CG-CE1 4.43Å; F10-Y86 PolarHBondContact N-OH 3.46Å; F10-Y86 PolarHBondContact O-OH 2.83Å; L18-Y86 PolarHBondContact N-O 2.72Å; L18-Y86 PolarHBondContact O-N 3.33Å; Y86-L90 PolarHBondContact OH-O 2.78Å; Y86-E92 PolarHBondContact OH-N 2.9Å; Y86-M93 PolarHBondContact OH-O 3.41Å; Y86-M93 VanDerWaalsContact OH-O 3.06Å; Y86-Q95 HydrophobicContact CD2-CB 3.81Å; Y86-Q95 HydrophobicContact CD2-CG 4.01Å; Y86-Q95 HydrophobicContact CE2-CB 3.82Å; Y86-Q95 VanDerWaalsContact CE2-CD 3.43Å; Y86-Q95 HydrophobicContact CE2-CG 3.68Å; Y86-M97 HydrophobicContact CD2-SD 4.07Å |
| 87 | K | 94 | Very high | 96.2 | Very high | 103 Ų | 103 | 69.7 Ų | 69.7 | 45% | 0.448 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 110.4 | -175.7 | -83.9 | 164.8 | 157.3 | -94.3 | 0 | 109.7 | E89 L90 Q95 | K87-E89 WeakPolarHBondContact CA-OE2 3.33Å; K87-E89 HydrophobicContact CB-CG 4.32Å; K87-E89 WeakPolarHBondContact CB-OE1 3.29Å; K87-E89 WeakPolarHBondContact CB-OE2 3.45Å; K87-E89 WeakPolarHBondContact CD-OE1 3.22Å; K87-E89 VanDerWaalsContact CG-OE1 3.23Å; K87-E89 WeakPolarHBondContact CG-OE1 3.06Å; K87-E89 IonicContact NZ-OE1 2.9Å; K87-E89 PolarHBondContact NZ-OE1 3.39Å; K87-E89 PolarHBondContact O-N 3.31Å; K87-L90 CarbonylContact O-C 3.58Å; K87-L90 PolarHBondContact O-N 2.78Å; K87-Q95 PolarHBondContact O-NE2 2.91Å |
| 88 | T | 92.9 | Very high | 96.2 | Very high | 27 Ų | 27 | 67.6 Ų | 67.6 | 17% | 0.166 | 32% | 0.318 | C | S | . | . | G | 310 helix | trans | -70.6 | -13 | -178.7 | 63.7 | 0 | 0 | 0 | 0 | 112.3 | C12 L15 R16 L18 L90 N91 | C12-T88 HydrophobicContact CB-CG2 3.99Å; L15-T88 HydrophobicContact CB-CG2 3.93Å; L15-T88 VanDerWaalsContact O-CB 3.3Å; L15-T88 WeakPolarHBondContact O-CB 3.31Å; L15-T88 WeakPolarHBondContact O-CG2 3.2Å; L15-T88 PolarHBondContact O-OG1 2.89Å; R16-T88 VanDerWaalsContact C-OG1 3.29Å; R16-T88 PolarHBondContact O-OG1 3.27Å; L18-T88 HydrophobicContact CD1-CG2 3.73Å; T88-L90 PolarHBondContact O-N 3.04Å; T88-N91 WeakPolarHBondContact O-CB 3.37Å; T88-N91 PolarHBondContact O-N 3.46Å; T88-N91 VanDerWaalsContact O-N 3.14Å |
| 89 | E | 93.6 | Very high | 96.2 | Very high | 121 Ų | 121 | 68 Ų | 68 | 57% | 0.565 | 32% | 0.32 | S | S | * | . | G | 310 helix | trans | -65.2 | -19.2 | 167.5 | 72 | -89.2 | -157.9 | 0 | 0 | 113.2 | K87 | K87-E89 WeakPolarHBondContact CA-OE2 3.33Å; K87-E89 HydrophobicContact CB-CG 4.32Å; K87-E89 WeakPolarHBondContact CB-OE1 3.29Å; K87-E89 WeakPolarHBondContact CB-OE2 3.45Å; K87-E89 WeakPolarHBondContact CD-OE1 3.22Å; K87-E89 VanDerWaalsContact CG-OE1 3.23Å; K87-E89 WeakPolarHBondContact CG-OE1 3.06Å; K87-E89 IonicContact NZ-OE1 2.9Å; K87-E89 PolarHBondContact NZ-OE1 3.39Å; K87-E89 PolarHBondContact O-N 3.31Å |
| 90 | L | 93.2 | Very high | 96.3 | Very high | 73 Ų | 73 | 65.5 Ų | 65.5 | 38% | 0.382 | 31% | 0.308 | S | S | . | . | G | 310 helix | trans | -112.6 | 38 | 173.3 | -60 | 176.2 | 0 | 0 | 0 | 110.3 | Y86 K87 T88 M93 Q95 | Y86-L90 PolarHBondContact OH-O 2.78Å; K87-L90 CarbonylContact O-C 3.58Å; K87-L90 PolarHBondContact O-N 2.78Å; T88-L90 PolarHBondContact O-N 3.04Å; L90-M93 HydrophobicContact CB-CB 4.37Å; L90-M93 HydrophobicContact CB-SD 4.29Å; L90-M93 HydrophobicContact CD2-SD 3.97Å; L90-M93 VanDerWaalsContact O-CB 3.28Å; L90-M93 WeakPolarHBondContact O-CB 3.08Å; L90-M93 PolarHBondContact O-N 3.31Å; L90-M93 VanDerWaalsContact O-N 3.15Å; L90-Q95 HydrophobicContact CB-CG 4.5Å; L90-Q95 VanDerWaalsContact CB-NE2 3.34Å; L90-Q95 PolarHBondContact O-NE2 2.67Å |
| 91 | N | 94.3 | Very high | 96.4 | Very high | 45 Ų | 45 | 57.7 Ų | 57.7 | 24% | 0.241 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -49.9 | 145.2 | 176.6 | -159.6 | 27 | 0 | 0 | 0 | 111.5 | F10 C12 T88 M93 | F10-N91 PolarHBondContact O-OD1 3.1Å; F10-N91 VanDerWaalsContact O-OD1 3.07Å; C12-N91 PolarHBondContact N-ND2 3.26Å; C12-N91 PolarHBondContact N-OD1 3.26Å; C12-N91 PolarHBondContact O-ND2 2.94Å; T88-N91 WeakPolarHBondContact O-CB 3.37Å; T88-N91 PolarHBondContact O-N 3.46Å; T88-N91 VanDerWaalsContact O-N 3.14Å; N91-M93 PolarHBondContact O-N 2.75Å |
| 92 | E | 96.6 | Very high | 96.6 | Very high | 122 Ų | 122 | 51 Ų | 51 | 57% | 0.57 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.6 | 14.6 | -179.8 | -53 | -178.2 | 94.9 | 0 | 0 | 114.4 | K9 F10 T11 Y86 | K9-E92 WeakPolarHBondContact CD-O 3.34Å; F10-E92 WeakPolarHBondContact O-CA 3.13Å; F10-E92 PolarHBondContact O-N 2.98Å; T11-E92 HydrophobicContact CG2-CG 4.46Å; Y86-E92 PolarHBondContact OH-N 2.9Å |
| 93 | M | 97.7 | Very high | 96.6 | Very high | 108 Ų | 108 | 56.1 Ų | 56.1 | 53% | 0.532 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -105.6 | 147.9 | 169.9 | -54.5 | -170.1 | -179.5 | 0 | 0 | 110.7 | Y86 L90 N91 Q95 | Y86-M93 PolarHBondContact OH-O 3.41Å; Y86-M93 VanDerWaalsContact OH-O 3.06Å; L90-M93 HydrophobicContact CB-CB 4.37Å; L90-M93 HydrophobicContact CB-SD 4.29Å; L90-M93 HydrophobicContact CD2-SD 3.97Å; L90-M93 VanDerWaalsContact O-CB 3.28Å; L90-M93 WeakPolarHBondContact O-CB 3.08Å; L90-M93 PolarHBondContact O-N 3.31Å; L90-M93 VanDerWaalsContact O-N 3.15Å; N91-M93 PolarHBondContact O-N 2.75Å; M93-Q95 PolarHBondContact O-N 2.91Å |
| 94 | W | 98.3 | Very high | 96.5 | Very high | 84 Ų | 84 | 55.7 Ų | 55.7 | 32% | 0.318 | 26% | 0.257 | S | S | . | . | trans | -66.1 | 122.3 | 171.9 | -68.4 | 106.5 | 0 | 0 | 0 | 110.3 | E7 K9 E154 R156 | E7-W94 HydrophobicContact CB-CE3 4.31Å; K9-W94 HydrophobicContact CB-CD2 3.99Å; K9-W94 HydrophobicContact CB-CE3 3.73Å; K9-W94 HydrophobicContact CB-CH2 4.38Å; K9-W94 HydrophobicContact CB-CZ3 3.93Å; W94-E154 HydrophobicContact CH2-CB 3.67Å; W94-E154 HydrophobicContact CZ2-CB 4.4Å; W94-E154 HydrophobicContact CZ3-CB 4.17Å; W94-R156 HydrophobicContact CD2-CG 4.3Å; W94-R156 HydrophobicContact CE3-CG 3.8Å; W94-R156 VanDerWaalsContact CG-CZ 3.46Å; W94-R156 HydrophobicContact CH2-CB 4.25Å; W94-R156 HydrophobicContact CH2-CG 4.18Å; W94-R156 HydrophobicContact CZ3-CB 4.15Å; W94-R156 HydrophobicContact CZ3-CG 3.75Å | ||
| 95 | Q | 98.1 | Very high | 96.5 | Very high | 18 Ų | 18 | 50.4 Ų | 50.4 | 8% | 0.084 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 135 | 179.3 | -61.3 | -176 | 44.6 | 0 | 0 | 110.3 | E7 L8 Y86 K87 L90 M93 M97 | E7-Q95 CarbonylContact C-O 3.56Å; E7-Q95 WeakPolarHBondContact CA-O 3.48Å; L8-Q95 PolarHBondContact N-O 3.4Å; L8-Q95 PolarHBondContact O-N 2.99Å; Y86-Q95 HydrophobicContact CD2-CB 3.81Å; Y86-Q95 HydrophobicContact CD2-CG 4.01Å; Y86-Q95 HydrophobicContact CE2-CB 3.82Å; Y86-Q95 VanDerWaalsContact CE2-CD 3.43Å; Y86-Q95 HydrophobicContact CE2-CG 3.68Å; K87-Q95 PolarHBondContact O-NE2 2.91Å; L90-Q95 HydrophobicContact CB-CG 4.5Å; L90-Q95 VanDerWaalsContact CB-NE2 3.34Å; L90-Q95 PolarHBondContact O-NE2 2.67Å; M93-Q95 PolarHBondContact O-N 2.91Å; Q95-M97 HydrophobicContact CB-SD 4.47Å; Q95-M97 PolarHBondContact O-N 2.74Å |
| 96 | R | 97.8 | Very high | 96.5 | Very high | 122 Ų | 122 | 50.1 Ų | 50.1 | 46% | 0.46 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 122.5 | 176.2 | -178.8 | 178.4 | -59 | 165 | 3.2 | 110.5 | A5 E7 V99 | A5-R96 HydrophobicContact CB-CG 4.08Å; E7-R96 HydrophobicContact CG-CB 4.24Å; E7-R96 IonicContact OE1-NH2 2.74Å; R96-V99 HydrophobicContact CG-CG2 4.43Å |
| 97 | M | 97.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | -39.3 | -175.7 | -62.4 | -51.7 | -67.9 | 0 | 0 | 112.9 | L6 L8 W27 V83 R84 Y86 Q95 W116 | L6-M97 PolarHBondContact O-N 2.77Å; L8-M97 HydrophobicContact CB-CG 3.75Å; L8-M97 HydrophobicContact CD1-CB 4.4Å; L8-M97 HydrophobicContact CD1-CG 3.72Å; L8-M97 HydrophobicContact CG-CB 4.35Å; L8-M97 HydrophobicContact CG-CG 3.56Å; W27-M97 HydrophobicContact CH2-CB 3.91Å; W27-M97 HydrophobicContact CZ3-CB 4.3Å; V83-M97 CarbonylContact C-O 3.51Å; V83-M97 WeakPolarHBondContact CA-O 3.46Å; R84-M97 PolarHBondContact N-O 2.6Å; R84-M97 WeakPolarHBondContact O-CE 3.31Å; Y86-M97 HydrophobicContact CD2-SD 4.07Å; Q95-M97 HydrophobicContact CB-SD 4.47Å; Q95-M97 PolarHBondContact O-N 2.74Å; M97-W116 HydrophobicContact CE-CH2 3.65Å; M97-W116 HydrophobicContact CE-CZ3 3.66Å |
| 98 | V | 98.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.1 | 155.2 | -178.8 | 59.6 | 0 | 0 | 0 | 0 | 109.7 | A5 L6 W27 I78 V83 F100 | A5-V98 WeakPolarHBondContact CA-O 3.32Å; L6-V98 HydrophobicContact CB-CG1 3.84Å; L6-V98 HydrophobicContact CD2-CG1 4.18Å; L6-V98 PolarHBondContact N-O 3.41Å; W27-V98 HydrophobicContact CD2-CG1 3.79Å; W27-V98 HydrophobicContact CE3-CG1 3.85Å; W27-V98 HydrophobicContact CH2-CB 4.1Å; W27-V98 HydrophobicContact CH2-CG1 3.8Å; W27-V98 HydrophobicContact CZ2-CB 3.67Å; W27-V98 HydrophobicContact CZ2-CG1 3.68Å; W27-V98 HydrophobicContact CZ2-CG2 4.27Å; W27-V98 HydrophobicContact CZ3-CG1 3.87Å; I78-V98 HydrophobicContact CG1-CG2 4.43Å; I78-V98 HydrophobicContact CG2-CG2 3.77Å; V83-V98 HydrophobicContact CG2-CB 4.3Å; V83-V98 HydrophobicContact CG2-CG2 3.81Å; V98-F100 HydrophobicContact CB-CZ 4.43Å; V98-F100 HydrophobicContact CG1-CD2 4.48Å; V98-F100 HydrophobicContact CG1-CE1 4.1Å; V98-F100 HydrophobicContact CG1-CE2 3.61Å; V98-F100 HydrophobicContact CG1-CZ 3.37Å; V98-F100 HydrophobicContact CG2-CE1 4.05Å; V98-F100 HydrophobicContact CG2-CZ 4.18Å |
| 99 | V | 98.5 | Very high | 97 | Very high | 12 Ų | 12 | 49.6 Ų | 49.6 | 7% | 0.073 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 128.9 | 171.9 | -174.5 | 0 | 0 | 0 | 0 | 109.6 | K3 A5 M79 S82 R96 V160 | K3-V99 HydrophobicContact CB-CG1 4.08Å; A5-V99 HydrophobicContact CB-CG2 4.13Å; M79-V99 HydrophobicContact CB-CB 4.25Å; M79-V99 WeakPolarHBondContact CB-O 3.39Å; M79-V99 HydrophobicContact CG-CB 4.29Å; M79-V99 HydrophobicContact CG-CG1 4.13Å; M79-V99 PolarHBondContact N-O 3.42Å; M79-V99 HydrophobicContact SD-CB 4Å; M79-V99 HydrophobicContact SD-CG1 3.42Å; M79-V99 WeakPolarHBondContact SD-CG1 3.16Å; S82-V99 PolarHBondContact OG-N 3.17Å; S82-V99 VanDerWaalsContact OG-N 3.1Å; S82-V99 PolarHBondContact OG-O 2.91Å; R96-V99 HydrophobicContact CG-CG2 4.43Å; V99-V160 HydrophobicContact CG1-CG2 3.64Å |
| 100 | F | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 131.4 | 176.4 | -56.8 | -69.3 | 0 | 0 | 0 | 110.8 | K3 V4 L6 W27 L29 I76 D77 I78 V98 P107 | K3-F100 VanDerWaalsContact CA-O 3.31Å; K3-F100 WeakPolarHBondContact CA-O 3.33Å; V4-F100 PolarHBondContact N-O 2.9Å; V4-F100 PolarHBondContact O-N 3.22Å; L6-F100 HydrophobicContact CB-CE2 3.95Å; W27-F100 HydrophobicContact CB-CE1 4.39Å; W27-F100 HydrophobicContact CB-CZ 4.12Å; W27-F100 HydrophobicContact CD2-CZ 4.19Å; W27-F100 HydrophobicContact CG-CE1 4.21Å; W27-F100 AromaticContact CG-CZ 3.98Å; W27-F100 HydrophobicContact CG-CZ 3.98Å; L29-F100 HydrophobicContact CD1-CE1 3.92Å; L29-F100 HydrophobicContact CD1-CE2 3.98Å; L29-F100 HydrophobicContact CD1-CZ 3.63Å; L29-F100 HydrophobicContact CD2-CE2 4.39Å; L29-F100 HydrophobicContact CD2-CZ 4.47Å; I76-F100 HydrophobicContact CG2-CB 4.08Å; I76-F100 HydrophobicContact CG2-CD1 3.76Å; I76-F100 HydrophobicContact CG2-CG 4.16Å; D77-F100 CarbonylContact O-C 3.51Å; D77-F100 WeakPolarHBondContact O-CA 3.22Å; I78-F100 HydrophobicContact CG1-CD1 3.99Å; I78-F100 HydrophobicContact CG1-CE1 3.81Å; V98-F100 HydrophobicContact CB-CZ 4.43Å; V98-F100 HydrophobicContact CG1-CD2 4.48Å; V98-F100 HydrophobicContact CG1-CE1 4.1Å; V98-F100 HydrophobicContact CG1-CE2 3.61Å; V98-F100 HydrophobicContact CG1-CZ 3.37Å; V98-F100 HydrophobicContact CG2-CE1 4.05Å; V98-F100 HydrophobicContact CG2-CZ 4.18Å; F100-P107 HydrophobicContact CD2-CG 4.39Å |
| 101 | D | 97.4 | Very high | 97.4 | Very high | 24 Ų | 24 | 42.5 Ų | 42.5 | 13% | 0.128 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 117.1 | 163.4 | -167.5 | -37.7 | 0 | 0 | 0 | 108.7 | M1 I76 D77 M79 | M1-D101 WeakPolarHBondContact CB-OD1 3.46Å; M1-D101 WeakPolarHBondContact CE-OD2 3.35Å; I76-D101 WeakPolarHBondContact CA-O 3.36Å; D77-D101 HydrophobicContact CB-CB 4.34Å; D77-D101 PolarHBondContact N-O 2.88Å; D77-D101 PolarHBondContact O-N 3.12Å; M79-D101 HydrophobicContact CG-CB 4.29Å |
| 102 | C | 97.5 | Very high | 97.5 | Very high | 1 Ų | 1 | 40.4 Ų | 40.4 | 1% | 0.007 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 136.5 | -167.6 | -59.1 | 0 | 0 | 0 | 0 | 111.9 | P2 I76 M105 | P2-C102 WeakPolarHBondContact CD-O 3.42Å; P2-C102 WeakPolarHBondContact O-CB 3.08Å; P2-C102 PolarHBondContact O-N 2.91Å; I76-C102 HydrophobicContact CD1-CB 3.99Å; C102-M105 WeakPolarHBondContact CB-O 3.43Å |
| 103 | R | 96.2 | Very high | 97.5 | Very high | 118 Ų | 118 | 37 Ų | 37 | 45% | 0.445 | 18% | 0.175 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 129.9 | 172.1 | -59.7 | -173.8 | 176.9 | -149.5 | 4.9 | 111 | M1 S74 S75 M105 | M1-R103 HydrophobicContact CG-CG 4.26Å; M1-R103 HydrophobicContact SD-CG 4.39Å; M1-R103 PolarHBondContact SD-NE 3.22Å; M1-R103 PolarHBondContact SD-NH2 2.93Å; S74-R103 CarbonylContact C-O 3.57Å; S74-R103 WeakPolarHBondContact CA-O 3.19Å; S74-R103 VanDerWaalsContact CB-O 3.25Å; S74-R103 WeakPolarHBondContact CB-O 3.23Å; S75-R103 PolarHBondContact N-O 2.76Å; S75-R103 PolarHBondContact O-N 3.3Å; R103-M105 PolarHBondContact O-N 3.47Å |
| 104 | G | 96.1 | Very high | 97.4 | Very high | 15 Ų | 15 | 32 Ų | 32 | 16% | 0.155 | 15% | 0.151 | C | C | . | . | S | Bend | trans | 67.8 | -6.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | C33 T34 S74 | C33-G104 WeakPolarHBondContact CA-O 3.3Å; T34-G104 PolarHBondContact N-O 3.38Å; T34-G104 WeakPolarHBondContact OG1-CA 3.34Å; T34-G104 PolarHBondContact OG1-O 2.9Å; S74-G104 WeakPolarHBondContact OG-CA 3.48Å; S74-G104 PolarHBondContact OG-O 2.99Å; S74-G104 VanDerWaalsContact OG-O 3.05Å |
| 105 | M | 96.7 | Very high | 97.2 | Very high | 15 Ų | 15 | 28.5 Ų | 28.5 | 7% | 0.074 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.2 | 161.8 | 178.2 | 66.2 | -173.1 | 12.1 | 0 | 0 | 111.1 | F31 K32 F63 C65 I76 C102 R103 | F31-M105 HydrophobicContact CB-CB 4.39Å; F31-M105 HydrophobicContact CB-CE 3.93Å; F31-M105 HydrophobicContact CB-SD 4.12Å; F31-M105 HydrophobicContact CD1-CG 4.48Å; F31-M105 HydrophobicContact CD1-SD 4.27Å; F31-M105 HydrophobicContact CD2-SD 4.19Å; F31-M105 HydrophobicContact CG-CE 4.31Å; F31-M105 HydrophobicContact CG-SD 3.94Å; K32-M105 CarbonylContact O-C 3.5Å; K32-M105 WeakPolarHBondContact O-CA 3.18Å; K32-M105 WeakPolarHBondContact O-CB 3.3Å; F63-M105 HydrophobicContact CD1-SD 4.19Å; F63-M105 HydrophobicContact CE1-CE 4.42Å; F63-M105 HydrophobicContact CE1-SD 3.9Å; C65-M105 WeakPolarHBondContact SG-CE 3.48Å; I76-M105 HydrophobicContact CD1-CG 3.88Å; I76-M105 HydrophobicContact CD1-SD 4.41Å; I76-M105 HydrophobicContact CG1-CG 4.12Å; I76-M105 HydrophobicContact CG1-SD 3.99Å; C102-M105 WeakPolarHBondContact CB-O 3.43Å; R103-M105 PolarHBondContact O-N 3.47Å |
| 106 | E | 97 | Very high | 97.2 | Very high | 45 Ų | 45 | 27.6 Ų | 27.6 | 21% | 0.21 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 146.9 | 172.3 | 61.7 | -170.6 | 172.9 | 0 | 0 | 109.7 | F31 K32 T34 R159 | F31-E106 WeakPolarHBondContact CA-O 3.49Å; K32-E106 PolarHBondContact N-O 2.86Å; K32-E106 PolarHBondContact O-N 3.27Å; T34-E106 HydrophobicContact CG2-CB 4.45Å; T34-E106 HydrophobicContact CG2-CG 4.22Å; E106-R159 IonicContact OE2-NH2 3.81Å; E106-R159 PolarHBondContact OE2-NH2 2.97Å |
| 107 | P | 97.8 | Very high | 97.1 | Very high | 7 Ų | 7 | 22.7 Ų | 22.7 | 5% | 0.045 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 139.7 | 174.1 | 30.4 | -35.3 | 0 | 0 | 0 | 110.1 | V4 L29 K30 F31 F100 F157 | V4-P107 HydrophobicContact CB-CG 4.3Å; V4-P107 HydrophobicContact CG1-CG 3.94Å; L29-P107 HydrophobicContact CD2-CB 4.2Å; K30-P107 WeakPolarHBondContact O-CA 3.48Å; F31-P107 HydrophobicContact CD1-CB 4.11Å; F31-P107 HydrophobicContact CE1-CB 3.99Å; F100-P107 HydrophobicContact CD2-CG 4.39Å; P107-F157 HydrophobicContact CB-CD1 4.07Å; P107-F157 HydrophobicContact CB-CE1 3.56Å; P107-F157 HydrophobicContact CB-CE2 4.27Å; P107-F157 HydrophobicContact CB-CZ 3.68Å; P107-F157 HydrophobicContact CG-CD1 3.68Å; P107-F157 HydrophobicContact CG-CE1 3.62Å; P107-F157 HydrophobicContact CG-CG 4.29Å; P107-F157 HydrophobicContact CG-CZ 4.23Å |
| 108 | V | 97.3 | Very high | 97.1 | Very high | 64 Ų | 64 | 22.7 Ų | 22.7 | 39% | 0.388 | 12% | 0.121 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | -15.9 | -177.3 | -67.3 | 0 | 0 | 0 | 0 | 113.8 | K30 K32 | K30-V108 HydrophobicContact CB-CG2 4.12Å; K30-V108 PolarHBondContact O-N 3.23Å; K32-V108 HydrophobicContact CB-CG1 3.43Å; K32-V108 VanDerWaalsContact CB-CG1 3.43Å; K32-V108 HydrophobicContact CB-CG2 4.37Å; K32-V108 HydrophobicContact CD-CG1 4.28Å |
| 109 | D | 97.9 | Very high | 97 | Very high | 48 Ų | 48 | 24.4 Ų | 24.4 | 26% | 0.257 | 13% | 0.129 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 154 | 178.2 | -157 | -3.5 | 0 | 0 | 0 | 109.3 | L29 K30 W43 H155 | L29-D109 WeakPolarHBondContact CA-O 3.33Å; K30-D109 HydrophobicContact CB-CB 3.83Å; K30-D109 HydrophobicContact CD-CB 3.92Å; K30-D109 HydrophobicContact CG-CB 4.04Å; K30-D109 PolarHBondContact N-O 3Å; K30-D109 VanDerWaalsContact N-O 3.12Å; K30-D109 IonicContact NZ-OD2 3.83Å; W43-D109 HydrophobicContact CH2-CB 4.01Å; W43-D109 HydrophobicContact CZ3-CB 4.26Å; D109-H155 IonicContact OD1-CE1 3.22Å; D109-H155 PolarHBondContact OD1-CE1 3.18Å; D109-H155 VanDerWaalsContact OD1-CE1 3.22Å; D109-H155 IonicContact OD1-NE2 3.47Å; D109-H155 PolarHBondContact OD1-NE2 2.91Å |
| 110 | Y | 98 | Very high | 97 | Very high | 8 Ų | 8 | 23.9 Ų | 23.9 | 3% | 0.031 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 132.7 | -179.7 | 173.5 | -109.2 | 0 | 0 | 0 | 111 | L6 L8 W27 L28 L29 A112 W116 H155 | L6-Y110 HydrophobicContact CD1-CD1 4.23Å; L6-Y110 HydrophobicContact CD1-CG 4.05Å; L6-Y110 HydrophobicContact CD2-CD1 4.1Å; L6-Y110 HydrophobicContact CD2-CD2 3.58Å; L6-Y110 HydrophobicContact CD2-CE1 4.18Å; L6-Y110 HydrophobicContact CD2-CE2 3.68Å; L6-Y110 HydrophobicContact CD2-CG 3.79Å; L8-Y110 HydrophobicContact CD1-CE1 3.8Å; L8-Y110 HydrophobicContact CD2-CD1 3.64Å; L8-Y110 HydrophobicContact CD2-CE1 3.53Å; L8-Y110 HydrophobicContact CG-CE1 4.33Å; W27-Y110 AromaticContact CE3-CE2 3.68Å; W27-Y110 HydrophobicContact CE3-CE2 3.68Å; W27-Y110 HydrophobicContact CZ3-CE2 4.21Å; L28-Y110 WeakPolarHBondContact O-CA 3.43Å; L28-Y110 WeakPolarHBondContact O-CD2 3.38Å; L29-Y110 HydrophobicContact CD2-CD2 3.84Å; Y110-A112 HydrophobicContact CE1-CB 3.83Å; Y110-W116 WeakPolarHBondContact OH-CZ2 3.2Å; Y110-H155 HydrophobicContact CD1-CB 3.91Å; Y110-H155 PolarHBondContact N-NE2 2.86Å |
| 111 | N | 97.4 | Very high | 96.9 | Very high | 36 Ų | 36 | 25.9 Ų | 25.9 | 19% | 0.193 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 126.6 | 170.2 | -178.8 | -12.8 | 0 | 0 | 0 | 109 | L28 W43 D113 | L28-N111 HydrophobicContact CB-CB 3.82Å; L28-N111 HydrophobicContact CD1-CB 3.99Å; L28-N111 PolarHBondContact O-N 2.88Å; W43-N111 HydrophobicContact CD2-CB 4.17Å; W43-N111 HydrophobicContact CE3-CB 3.89Å; W43-N111 HydrophobicContact CH2-CB 3.6Å; W43-N111 HydrophobicContact CZ2-CB 3.86Å; W43-N111 HydrophobicContact CZ3-CB 3.61Å; W43-N111 VanDerWaalsContact CZ3-N 3.28Å; N111-D113 VanDerWaalsContact C-N 3.26Å; N111-D113 PolarHBondContact O-N 2.91Å; N111-D113 VanDerWaalsContact OD1-CB 3.3Å; N111-D113 WeakPolarHBondContact OD1-CB 3.48Å; N111-D113 PolarHBondContact OD1-N 2.99Å |
| 112 | A | 96.8 | Very high | 96.8 | Very high | 1 Ų | 1 | 30.6 Ų | 30.6 | 1% | 0.008 | 16% | 0.159 | C | C | . | . | S | Bend | trans | -77.8 | -6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y110 G114 W116 L132 V153 | Y110-A112 HydrophobicContact CE1-CB 3.83Å; A112-G114 PolarHBondContact O-N 3.36Å; A112-W116 VanDerWaalsContact O-CD1 3.29Å; A112-W116 PolarHBondContact O-NE1 2.81Å; A112-L132 HydrophobicContact CB-CB 4.2Å; A112-L132 HydrophobicContact CB-CD1 4.06Å; A112-V153 HydrophobicContact CB-CG1 3.62Å |
| 113 | D | 96.5 | Very high | 96.8 | Very high | 51 Ų | 51 | 31 Ų | 31 | 27% | 0.273 | 16% | 0.163 | S | C | . | . | trans | -73.4 | 47.8 | 178 | -164.2 | 38.9 | 0 | 0 | 0 | 113.5 | L28 N111 S131 L132 D133 | L28-D113 HydrophobicContact CD1-CB 4.22Å; L28-D113 VanDerWaalsContact CD1-O 3.29Å; L28-D113 WeakPolarHBondContact CD1-O 3.38Å; N111-D113 VanDerWaalsContact C-N 3.26Å; N111-D113 PolarHBondContact O-N 2.91Å; N111-D113 VanDerWaalsContact OD1-CB 3.3Å; N111-D113 WeakPolarHBondContact OD1-CB 3.48Å; N111-D113 PolarHBondContact OD1-N 2.99Å; D113-S131 WeakPolarHBondContact OD1-CA 3.37Å; D113-S131 VanDerWaalsContact OD1-CB 3.3Å; D113-S131 WeakPolarHBondContact OD1-CB 2.99Å; D113-S131 PolarHBondContact OD1-OG 3.02Å; D113-L132 PolarHBondContact OD1-N 2.98Å; D113-D133 PolarHBondContact OD1-N 3.23Å | ||
| 114 | G | 94.9 | Very high | 96.8 | Very high | 2 Ų | 2 | 31.7 Ų | 31.7 | 2% | 0.021 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -87.7 | -10.6 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | F25 R26 A112 | F25-G114 VanDerWaalsContact CA-O 3.26Å; F25-G114 WeakPolarHBondContact CA-O 3.39Å; R26-G114 PolarHBondContact N-O 3.07Å; R26-G114 VanDerWaalsContact N-O 3.09Å; R26-G114 WeakPolarHBondContact O-CA 3.38Å; A112-G114 PolarHBondContact O-N 3.36Å |
| 115 | G | 95.4 | Very high | 96.8 | Very high | 11 Ų | 11 | 32 Ų | 32 | 11% | 0.113 | 18% | 0.176 | C | C | . | . | trans | 90 | 82.1 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | A21 F25 I130 | A21-G115 WeakPolarHBondContact CB-O 3.4Å; A21-G115 PolarHBondContact N-O 3.06Å; F25-G115 WeakPolarHBondContact CD2-O 3.41Å; G115-I130 WeakPolarHBondContact CA-O 3.2Å | ||
| 116 | W | 96.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 155.9 | -176 | -65.8 | 81.3 | 0 | 0 | 0 | 113.1 | L8 F10 L18 P20 F25 W27 M97 Y110 A112 V118 E128 C129 I130 L132 | L8-W116 HydrophobicContact CD1-CH2 3.8Å; L8-W116 HydrophobicContact CD1-CZ2 3.75Å; F10-W116 HydrophobicContact CZ-CH2 4.24Å; F10-W116 HydrophobicContact CZ-CZ2 4.04Å; L18-W116 HydrophobicContact CB-CE3 4.18Å; P20-W116 HydrophobicContact CG-CZ3 4.34Å; F25-W116 AromaticContact CE2-CD2 3.67Å; F25-W116 HydrophobicContact CE2-CD2 3.67Å; F25-W116 AromaticContact CE2-CE2 3.59Å; F25-W116 HydrophobicContact CE2-CE3 4.05Å; F25-W116 HydrophobicContact CE2-CG 4.09Å; F25-W116 HydrophobicContact CE2-CH2 4.24Å; F25-W116 AromaticContact CE2-CZ2 3.91Å; F25-W116 HydrophobicContact CE2-CZ2 3.91Å; F25-W116 HydrophobicContact CE2-CZ3 4.31Å; F25-W116 AromaticContact CE2-NE1 3.91Å; F25-W116 HydrophobicContact CZ-CD2 4.33Å; F25-W116 AromaticContact CZ-CE2 3.87Å; F25-W116 AromaticContact CZ-CH2 3.99Å; F25-W116 HydrophobicContact CZ-CH2 3.99Å; F25-W116 AromaticContact CZ-CZ2 3.71Å; F25-W116 HydrophobicContact CZ-CZ2 3.71Å; F25-W116 HydrophobicContact CZ-CZ3 4.42Å; W27-W116 HydrophobicContact CH2-CH2 4.34Å; W27-W116 HydrophobicContact CZ3-CH2 4.44Å; M97-W116 HydrophobicContact CE-CH2 3.65Å; M97-W116 HydrophobicContact CE-CZ3 3.66Å; Y110-W116 WeakPolarHBondContact OH-CZ2 3.2Å; A112-W116 VanDerWaalsContact O-CD1 3.29Å; A112-W116 PolarHBondContact O-NE1 2.81Å; W116-V118 HydrophobicContact CB-CG1 4.45Å; W116-E128 CarbonylContact O-C 3.5Å; W116-C129 WeakPolarHBondContact O-CA 3.43Å; W116-C129 PolarHBondContact O-N 3.48Å; W116-I130 HydrophobicContact CB-CD1 4.31Å; W116-I130 HydrophobicContact CB-CG1 3.78Å; W116-I130 PolarHBondContact N-O 3.18Å; W116-I130 VanDerWaalsContact N-O 3.16Å; W116-I130 WeakPolarHBondContact O-CG1 3.28Å; W116-I130 PolarHBondContact O-N 2.83Å; W116-L132 HydrophobicContact CG-CD1 4.26Å |
| 117 | T | 97.4 | Very high | 96.8 | Very high | 19 Ų | 19 | 36.1 Ų | 36.1 | 12% | 0.117 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 131 | 162.8 | -59.9 | 0 | 0 | 0 | 0 | 108.7 | L18 S19 A21 I126 Y127 E128 | L18-T117 CarbonylContact C-O 3.6Å; L18-T117 WeakPolarHBondContact CA-O 3.45Å; S19-T117 PolarHBondContact N-O 3.24Å; S19-T117 PolarHBondContact O-N 2.88Å; A21-T117 VanDerWaalsContact CA-OG1 3.31Å; A21-T117 WeakPolarHBondContact CA-OG1 3.18Å; A21-T117 WeakPolarHBondContact CB-OG1 3.18Å; T117-I126 HydrophobicContact CG2-CG2 3.68Å; T117-Y127 CarbonylContact C-O 3.44Å; T117-Y127 WeakPolarHBondContact CA-O 3.24Å; T117-E128 HydrophobicContact CG2-CG 4.3Å |
| 118 | V | 96.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 140.2 | 178.5 | -51.4 | 0 | 0 | 0 | 0 | 110.2 | L15 L18 W116 I126 Y127 I130 W137 I150 | L15-V118 HydrophobicContact CD1-CB 4.39Å; L15-V118 HydrophobicContact CD2-CB 4.12Å; L15-V118 HydrophobicContact CD2-CG2 4.27Å; L18-V118 HydrophobicContact CB-CG1 4.37Å; L18-V118 HydrophobicContact CG-CG1 3.84Å; W116-V118 HydrophobicContact CB-CG1 4.45Å; V118-I126 WeakPolarHBondContact O-CA 3.38Å; V118-Y127 HydrophobicContact CG2-CD2 4.11Å; V118-Y127 HydrophobicContact CG2-CG 4.33Å; V118-Y127 PolarHBondContact N-O 2.79Å; V118-Y127 PolarHBondContact O-N 2.8Å; V118-I130 HydrophobicContact CB-CD1 4.44Å; V118-I130 HydrophobicContact CG1-CD1 3.4Å; V118-I130 VanDerWaalsContact CG1-CD1 3.4Å; V118-I130 HydrophobicContact CG1-CG1 4.02Å; V118-I130 HydrophobicContact CG2-CD1 4.09Å; V118-I130 HydrophobicContact CG2-CG2 4.24Å; V118-W137 HydrophobicContact CG2-CE3 4.36Å; V118-W137 HydrophobicContact CG2-CH2 3.51Å; V118-W137 HydrophobicContact CG2-CZ2 4.07Å; V118-W137 HydrophobicContact CG2-CZ3 3.69Å; V118-I150 HydrophobicContact CG1-CD1 3.83Å |
| 119 | M | 96.5 | Very high | 96.6 | Very high | 35 Ų | 35 | 42.5 Ų | 42.5 | 17% | 0.172 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 135.2 | 179.9 | -54.7 | -160.4 | -54.1 | 0 | 0 | 110.2 | L15 R16 E17 I126 | L15-M119 CarbonylContact C-O 3.51Å; L15-M119 WeakPolarHBondContact CA-O 3.35Å; R16-M119 HydrophobicContact CB-CB 4.33Å; R16-M119 HydrophobicContact CG-CE 4.35Å; R16-M119 PolarHBondContact N-O 2.89Å; E17-M119 HydrophobicContact CG-CB 4.45Å; E17-M119 HydrophobicContact CG-CE 3.57Å; E17-M119 HydrophobicContact CG-CG 4.11Å; E17-M119 HydrophobicContact CG-SD 4.42Å; E17-M119 PolarHBondContact O-N 3.31Å; E17-M119 WeakPolarHBondContact OE1-CE 3.32Å; M119-I126 HydrophobicContact CG-CG1 4.13Å; M119-I126 HydrophobicContact SD-CD1 4.25Å; M119-I126 HydrophobicContact SD-CG1 4.27Å |
| 120 | S | 97.5 | Very high | 96.5 | Very high | 1 Ų | 1 | 40.8 Ų | 40.8 | 1% | 0.007 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62 | 145.5 | 172 | 176.3 | 0 | 0 | 0 | 0 | 111.4 | K122 S123 A125 D141 | S120-K122 PolarHBondContact OG-N 3.24Å; S120-S123 PolarHBondContact OG-N 3.02Å; S120-A125 PolarHBondContact N-O 2.51Å; S120-D141 VanDerWaalsContact CB-OD2 3.22Å; S120-D141 WeakPolarHBondContact CB-OD2 3.22Å; S120-D141 PolarHBondContact OG-OD2 3.06Å |
| 121 | S | 96.4 | Very high | 96.3 | Very high | 43 Ų | 43 | 42.8 Ų | 42.8 | 30% | 0.301 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -83.5 | -12.3 | 168.7 | 68.4 | 0 | 0 | 0 | 0 | 113.4 | N14 | N14-S121 WeakPolarHBondContact CA-OG 3.45Å; N14-S121 VanDerWaalsContact O-CB 3.22Å; N14-S121 WeakPolarHBondContact O-CB 3.34Å; N14-S121 PolarHBondContact O-N 2.88Å; N14-S121 PolarHBondContact O-OG 3.02Å |
| 122 | K | 96.3 | Very high | 96.2 | Very high | 122 Ų | 122 | 41.1 Ų | 41.1 | 53% | 0.53 | 22% | 0.223 | S | C | . | . | S | Bend | trans | -111.6 | -19.5 | -171.6 | -56.3 | -53.6 | -179.1 | -174.4 | 0 | 114.5 | N14 S120 V146 | N14-K122 WeakPolarHBondContact OD1-CE 3.42Å; S120-K122 PolarHBondContact OG-N 3.24Å; K122-V146 HydrophobicContact CB-CG2 3.88Å; K122-V146 HydrophobicContact CG-CB 4.3Å; K122-V146 HydrophobicContact CG-CG1 3.93Å; K122-V146 HydrophobicContact CG-CG2 3.46Å; K122-V146 VanDerWaalsContact CG-CG2 3.46Å |
| 123 | S | 96.6 | Very high | 95.9 | Very high | 11 Ų | 11 | 45.6 Ų | 45.6 | 8% | 0.077 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -139.1 | -168.4 | 176.3 | 75.4 | 0 | 0 | 0 | 0 | 110.9 | S120 A125 D141 | S120-S123 PolarHBondContact OG-N 3.02Å; S123-A125 VanDerWaalsContact C-N 3.33Å; S123-A125 VanDerWaalsContact OG-CB 3.24Å; S123-A125 WeakPolarHBondContact OG-CB 3.22Å; S123-A125 PolarHBondContact OG-N 3.27Å; S123-D141 WeakPolarHBondContact CB-OD2 3.4Å; S123-D141 PolarHBondContact OG-OD1 3.36Å; S123-D141 PolarHBondContact OG-OD2 2.75Å |
| 124 | N | 96.2 | Very high | 95.7 | Very high | 132 Ų | 132 | 48.5 Ų | 48.5 | 71% | 0.706 | 26% | 0.263 | S | S | * | . | S | Bend | trans | -94.8 | 15.1 | 170.1 | -64.3 | -45.9 | 0 | 0 | 0 | 112.4 | I126 | N124-I126 PolarHBondContact O-N 2.95Š|
| 125 | A | 96.7 | Very high | 95.7 | Very high | 22 Ų | 22 | 51.6 Ų | 51.6 | 18% | 0.182 | 28% | 0.279 | C | S | . | . | trans | -62 | 129.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | S120 S123 Y127 | S120-A125 PolarHBondContact N-O 2.51Å; S123-A125 VanDerWaalsContact C-N 3.33Å; S123-A125 VanDerWaalsContact OG-CB 3.24Å; S123-A125 WeakPolarHBondContact OG-CB 3.22Å; S123-A125 PolarHBondContact OG-N 3.27Å; A125-Y127 HydrophobicContact CB-CE2 3.78Å | ||
| 126 | I | 96.8 | Very high | 95.7 | Very high | 94 Ų | 94 | 56.3 Ų | 56.3 | 48% | 0.482 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 131 | 176.4 | -58.9 | 175.7 | 0 | 0 | 0 | 107 | T117 V118 M119 N124 E128 | T117-I126 HydrophobicContact CG2-CG2 3.68Å; V118-I126 WeakPolarHBondContact O-CA 3.38Å; M119-I126 HydrophobicContact CG-CG1 4.13Å; M119-I126 HydrophobicContact SD-CD1 4.25Å; M119-I126 HydrophobicContact SD-CG1 4.27Å; N124-I126 PolarHBondContact O-N 2.95Å; I126-E128 HydrophobicContact CG2-CG 4.08Å |
| 127 | Y | 96.4 | Very high | 95.8 | Very high | 51 Ų | 51 | 58 Ų | 58 | 20% | 0.2 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 115 | 176.4 | -53.9 | -99.5 | 0 | 0 | 0 | 107.4 | T117 V118 A125 W137 E139 Y140 L148 | T117-Y127 CarbonylContact C-O 3.44Å; T117-Y127 WeakPolarHBondContact CA-O 3.24Å; V118-Y127 HydrophobicContact CG2-CD2 4.11Å; V118-Y127 HydrophobicContact CG2-CG 4.33Å; V118-Y127 PolarHBondContact N-O 2.79Å; V118-Y127 PolarHBondContact O-N 2.8Å; A125-Y127 HydrophobicContact CB-CE2 3.78Å; Y127-W137 HydrophobicContact CD1-CH2 4.42Å; Y127-W137 HydrophobicContact CD1-CZ2 4.08Å; Y127-W137 AromaticContact CD2-CH2 3.93Å; Y127-W137 HydrophobicContact CD2-CH2 3.93Å; Y127-W137 HydrophobicContact CD2-CZ2 4.33Å; Y127-W137 HydrophobicContact CE2-CH2 4.36Å; Y127-W137 AromaticContact CG-CH2 3.96Å; Y127-W137 HydrophobicContact CG-CH2 3.96Å; Y127-W137 AromaticContact CG-CZ2 3.88Å; Y127-W137 HydrophobicContact CG-CZ2 3.88Å; Y127-E139 HydrophobicContact CD1-CG 4.01Å; Y127-E139 HydrophobicContact CE1-CB 4.49Å; Y127-E139 HydrophobicContact CE1-CG 3.34Å; Y127-Y140 PolarHBondContact OH-O 3.02Å; Y127-L148 HydrophobicContact CD2-CD1 4.12Å; Y127-L148 HydrophobicContact CE2-CD1 3.4Å; Y127-L148 VanDerWaalsContact CE2-CD1 3.4Å |
| 128 | E | 95.8 | Very high | 95.8 | Very high | 146 Ų | 146 | 62 Ų | 62 | 68% | 0.682 | 33% | 0.325 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 150.2 | -177.4 | -62 | -177.5 | 147.5 | 0 | 0 | 110.5 | W116 T117 I126 I130 | W116-E128 CarbonylContact O-C 3.5Å; T117-E128 HydrophobicContact CG2-CG 4.3Å; I126-E128 HydrophobicContact CG2-CG 4.08Å; E128-I130 PolarHBondContact O-N 2.72Å |
| 129 | C | 94.8 | Very high | 95.8 | Very high | 59 Ų | 59 | 66.1 Ų | 66.1 | 40% | 0.399 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 54.4 | 36 | 176.1 | -51.6 | 0 | 0 | 0 | 0 | 113.8 | C24 W116 | C24-C129 WeakPolarHBondContact CB-SG 3.25Å; C24-C129 PolarHBondContact SG-SG 2.91Å; W116-C129 WeakPolarHBondContact O-CA 3.43Å; W116-C129 PolarHBondContact O-N 3.48Å |
| 130 | I | 96 | Very high | 95.9 | Very high | 12 Ų | 12 | 68.8 Ų | 68.8 | 6% | 0.062 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 145.6 | 176.9 | 68 | 154.2 | 0 | 0 | 0 | 110.4 | G115 W116 V118 E128 W137 I150 | G115-I130 WeakPolarHBondContact CA-O 3.2Å; W116-I130 HydrophobicContact CB-CD1 4.31Å; W116-I130 HydrophobicContact CB-CG1 3.78Å; W116-I130 PolarHBondContact N-O 3.18Å; W116-I130 VanDerWaalsContact N-O 3.16Å; W116-I130 WeakPolarHBondContact O-CG1 3.28Å; W116-I130 PolarHBondContact O-N 2.83Å; V118-I130 HydrophobicContact CB-CD1 4.44Å; V118-I130 HydrophobicContact CG1-CD1 3.4Å; V118-I130 VanDerWaalsContact CG1-CD1 3.4Å; V118-I130 HydrophobicContact CG1-CG1 4.02Å; V118-I130 HydrophobicContact CG2-CD1 4.09Å; V118-I130 HydrophobicContact CG2-CG2 4.24Å; E128-I130 PolarHBondContact O-N 2.72Å; I130-W137 HydrophobicContact CB-CG 4.42Å; I130-W137 HydrophobicContact CD1-CB 4.09Å; I130-W137 HydrophobicContact CD1-CD2 3.63Å; I130-W137 HydrophobicContact CD1-CE3 4.07Å; I130-W137 HydrophobicContact CD1-CG 3.64Å; I130-W137 HydrophobicContact CG2-CZ2 3.88Å; I130-I150 HydrophobicContact CD1-CD1 3.64Å |
| 131 | S | 94.6 | Very high | 95.9 | Very high | 51 Ų | 51 | 68.9 Ų | 68.9 | 36% | 0.357 | 35% | 0.353 | S | S | . | . | trans | -90.6 | 142.8 | 175.5 | 179.9 | 0 | 0 | 0 | 0 | 110.6 | D113 D133 | D113-S131 WeakPolarHBondContact OD1-CA 3.37Å; D113-S131 VanDerWaalsContact OD1-CB 3.3Å; D113-S131 WeakPolarHBondContact OD1-CB 2.99Å; D113-S131 PolarHBondContact OD1-OG 3.02Å; S131-D133 PolarHBondContact OG-N 3.07Å | ||
| 132 | L | 95.7 | Very high | 95.9 | Very high | 0 Ų | 0 | 73.8 Ų | 73.8 | 0% | 0 | 37% | 0.371 | C | S | . | . | trans | -125.7 | 36.6 | 172.7 | -69.8 | 174.8 | 0 | 0 | 0 | 109.8 | F10 A112 D113 W116 N134 N135 W137 I150 V153 | F10-L132 HydrophobicContact CE1-CD1 4.33Å; A112-L132 HydrophobicContact CB-CB 4.2Å; A112-L132 HydrophobicContact CB-CD1 4.06Å; D113-L132 PolarHBondContact OD1-N 2.98Å; W116-L132 HydrophobicContact CG-CD1 4.26Å; L132-N134 PolarHBondContact O-N 3.31Å; L132-N135 WeakPolarHBondContact O-CA 3.44Å; L132-N135 PolarHBondContact O-N 3.36Å; L132-W137 HydrophobicContact CD2-CB 3.58Å; L132-I150 HydrophobicContact CD2-CB 4.07Å; L132-I150 HydrophobicContact CD2-CD1 4.23Å; L132-I150 HydrophobicContact CD2-CG2 3.92Å; L132-V153 HydrophobicContact CD1-CG2 4.45Å | ||
| 133 | D | 90.5 | Very high | 95.9 | Very high | 95 Ų | 95 | 74.7 Ų | 74.7 | 51% | 0.508 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.4 | -37.2 | -177.6 | 68.9 | -27.9 | 0 | 0 | 0 | 113.2 | D113 S131 | D113-D133 PolarHBondContact OD1-N 3.23Å; S131-D133 PolarHBondContact OG-N 3.07Å |
| 134 | N | 91.2 | Very high | 96 | Very high | 112 Ų | 112 | 75.1 Ų | 75.1 | 60% | 0.599 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.8 | 15.3 | 177.4 | -63.9 | -65.2 | 0 | 0 | 0 | 113.5 | L132 E136 | L132-N134 PolarHBondContact O-N 3.31Å; N134-E136 PolarHBondContact O-N 2.97Å |
| 135 | N | 94.9 | Very high | 96 | Very high | 68 Ų | 68 | 76.4 Ų | 76.4 | 36% | 0.364 | 38% | 0.383 | S | S | . | . | S | Bend | trans | 57.2 | 23.6 | -168.5 | -64.3 | -55.5 | 0 | 0 | 0 | 113.7 | L132 V153 | L132-N135 WeakPolarHBondContact O-CA 3.44Å; L132-N135 PolarHBondContact O-N 3.36Å; N135-V153 HydrophobicContact CB-CB 3.81Å; N135-V153 HydrophobicContact CB-CG2 3.85Å; N135-V153 WeakPolarHBondContact O-CG2 3.38Å |
| 136 | E | 96.2 | Very high | 96.1 | Very high | 110 Ų | 110 | 76.7 Ų | 76.7 | 51% | 0.514 | 38% | 0.382 | S | S | . | . | trans | -142.2 | 147.8 | -177.5 | -67.1 | 178.3 | 175.1 | 0 | 0 | 109.8 | N134 I150 E151 | N134-E136 PolarHBondContact O-N 2.97Å; E136-I150 CarbonylContact C-O 3.58Å; E136-I150 WeakPolarHBondContact CA-O 3.3Å; E136-E151 HydrophobicContact CG-CG 4.47Å | ||
| 137 | W | 97.7 | Very high | 96.2 | Very high | 34 Ų | 34 | 76.3 Ų | 76.3 | 13% | 0.129 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 139.7 | 170.5 | 177.4 | 82 | 0 | 0 | 0 | 109.4 | L15 V118 Y127 I130 L132 E139 L148 S149 I150 | L15-W137 HydrophobicContact CD2-CZ3 4.24Å; V118-W137 HydrophobicContact CG2-CE3 4.36Å; V118-W137 HydrophobicContact CG2-CH2 3.51Å; V118-W137 HydrophobicContact CG2-CZ2 4.07Å; V118-W137 HydrophobicContact CG2-CZ3 3.69Å; Y127-W137 HydrophobicContact CD1-CH2 4.42Å; Y127-W137 HydrophobicContact CD1-CZ2 4.08Å; Y127-W137 AromaticContact CD2-CH2 3.93Å; Y127-W137 HydrophobicContact CD2-CH2 3.93Å; Y127-W137 HydrophobicContact CD2-CZ2 4.33Å; Y127-W137 HydrophobicContact CE2-CH2 4.36Å; Y127-W137 AromaticContact CG-CH2 3.96Å; Y127-W137 HydrophobicContact CG-CH2 3.96Å; Y127-W137 AromaticContact CG-CZ2 3.88Å; Y127-W137 HydrophobicContact CG-CZ2 3.88Å; I130-W137 HydrophobicContact CB-CG 4.42Å; I130-W137 HydrophobicContact CD1-CB 4.09Å; I130-W137 HydrophobicContact CD1-CD2 3.63Å; I130-W137 HydrophobicContact CD1-CE3 4.07Å; I130-W137 HydrophobicContact CD1-CG 3.64Å; I130-W137 HydrophobicContact CG2-CZ2 3.88Å; L132-W137 HydrophobicContact CD2-CB 3.58Å; W137-E139 HydrophobicContact CH2-CB 3.44Å; W137-E139 VanDerWaalsContact CH2-CB 3.44Å; W137-E139 HydrophobicContact CH2-CG 4.16Å; W137-E139 HydrophobicContact CZ2-CB 3.37Å; W137-E139 HydrophobicContact CZ2-CG 3.97Å; W137-E139 HydrophobicContact CZ3-CB 4.11Å; W137-L148 HydrophobicContact CH2-CB 4.14Å; W137-L148 HydrophobicContact CH2-CD1 4.16Å; W137-L148 HydrophobicContact CZ3-CB 3.7Å; W137-L148 HydrophobicContact CZ3-CD1 4.42Å; W137-S149 CarbonylContact O-C 3.54Å; W137-S149 WeakPolarHBondContact O-CA 3.21Å; W137-I150 HydrophobicContact CB-CB 4.31Å; W137-I150 HydrophobicContact CB-CD1 4.47Å; W137-I150 HydrophobicContact CE3-CD1 4.21Å; W137-I150 HydrophobicContact CE3-CG1 4.32Å; W137-I150 PolarHBondContact N-O 2.64Å; W137-I150 PolarHBondContact O-N 2.88Å |
| 138 | L | 97.6 | Very high | 96.3 | Very high | 105 Ų | 105 | 73.9 Ų | 73.9 | 55% | 0.55 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 132.5 | -176.7 | -175.5 | 71.5 | 0 | 0 | 0 | 109.4 | Q147 L148 | L138-Q147 HydrophobicContact CD1-CG 3.43Å; L138-Q147 VanDerWaalsContact CD1-CG 3.43Å; L138-Q147 HydrophobicContact CG-CG 4.49Å; L138-L148 WeakPolarHBondContact CA-O 3.38Å |
| 139 | E | 97.8 | Very high | 96.3 | Very high | 85 Ų | 85 | 67.1 Ų | 67.1 | 40% | 0.397 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 164.5 | 174.5 | -173.7 | 52.3 | -79 | 0 | 0 | 110.5 | Y127 W137 L148 | Y127-E139 HydrophobicContact CD1-CG 4.01Å; Y127-E139 HydrophobicContact CE1-CB 4.49Å; Y127-E139 HydrophobicContact CE1-CG 3.34Å; W137-E139 HydrophobicContact CH2-CB 3.44Å; W137-E139 VanDerWaalsContact CH2-CB 3.44Å; W137-E139 HydrophobicContact CH2-CG 4.16Å; W137-E139 HydrophobicContact CZ2-CB 3.37Å; W137-E139 HydrophobicContact CZ2-CG 3.97Å; W137-E139 HydrophobicContact CZ3-CB 4.11Å; E139-L148 PolarHBondContact N-O 2.67Å; E139-L148 PolarHBondContact O-N 2.72Å |
| 140 | Y | 97.8 | Very high | 96.5 | Very high | 92 Ų | 92 | 64.3 Ų | 64.3 | 36% | 0.361 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 126.4 | 173.2 | -168.9 | -103.8 | 0 | 0 | 0 | 111.2 | Y127 E142 K145 V146 | Y127-Y140 PolarHBondContact OH-O 3.02Å; Y140-E142 HydrophobicContact CD1-CG 4.12Å; Y140-E142 WeakPolarHBondContact CD1-OE1 3.48Å; Y140-E142 PolarHBondContact O-N 2.97Å; Y140-K145 VanDerWaalsContact OH-C 3.29Å; Y140-K145 VanDerWaalsContact OH-CA 3.29Å; Y140-K145 WeakPolarHBondContact OH-CA 3.28Å; Y140-K145 PolarHBondContact OH-O 3.27Å; Y140-V146 WeakPolarHBondContact CD2-O 3.26Å |
| 141 | D | 97.7 | Very high | 96.5 | Very high | 3 Ų | 3 | 67.2 Ų | 67.2 | 2% | 0.016 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 98.3 | 171.1 | 178.1 | 2 | 0 | 0 | 0 | 109.1 | S120 S123 E143 G144 K145 V146 L148 | S120-D141 VanDerWaalsContact CB-OD2 3.22Å; S120-D141 WeakPolarHBondContact CB-OD2 3.22Å; S120-D141 PolarHBondContact OG-OD2 3.06Å; S123-D141 WeakPolarHBondContact CB-OD2 3.4Å; S123-D141 PolarHBondContact OG-OD1 3.36Å; S123-D141 PolarHBondContact OG-OD2 2.75Å; D141-E143 VanDerWaalsContact C-N 3.28Å; D141-E143 PolarHBondContact O-N 3.22Å; D141-E143 PolarHBondContact OD1-N 3.35Å; D141-G144 VanDerWaalsContact CG-N 3.3Å; D141-G144 CarbonylContact O-C 3.5Å; D141-G144 PolarHBondContact O-N 3.14Å; D141-G144 PolarHBondContact OD1-N 3.15Å; D141-G144 WeakPolarHBondContact OD2-CA 3.32Å; D141-G144 PolarHBondContact OD2-N 3.36Å; D141-K145 VanDerWaalsContact O-CA 3.26Å; D141-K145 WeakPolarHBondContact O-CA 3.18Å; D141-K145 PolarHBondContact O-N 3.27Å; D141-V146 HydrophobicContact CB-CG2 4.09Å; D141-V146 PolarHBondContact N-O 2.91Å; D141-V146 PolarHBondContact O-N 2.98Å; D141-L148 HydrophobicContact CB-CD1 4.08Å; D141-L148 HydrophobicContact CB-CD2 4.12Å; D141-L148 HydrophobicContact CB-CG 4.05Å |
| 142 | E | 97.1 | Very high | 96.5 | Very high | 145 Ų | 145 | 69.2 Ų | 69.2 | 68% | 0.678 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | -35.4 | -179 | -68.7 | -67.6 | 169.5 | 0 | 0 | 113.3 | Y140 | Y140-E142 HydrophobicContact CD1-CG 4.12Å; Y140-E142 WeakPolarHBondContact CD1-OE1 3.48Å; Y140-E142 PolarHBondContact O-N 2.97Å |
| 143 | E | 96.9 | Very high | 96.6 | Very high | 141 Ų | 141 | 70 Ų | 70 | 66% | 0.659 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.1 | -46 | 179.4 | -175.4 | 179.6 | 175.9 | 0 | 0 | 110.6 | D141 K145 | D141-E143 VanDerWaalsContact C-N 3.28Å; D141-E143 PolarHBondContact O-N 3.22Å; D141-E143 PolarHBondContact OD1-N 3.35Å; E143-K145 VanDerWaalsContact C-N 3.26Å; E143-K145 PolarHBondContact O-N 2.88Å |
| 144 | G | 97.2 | Very high | 97 | Very high | 20 Ų | 20 | 69.4 Ų | 69.4 | 21% | 0.206 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -17.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | D141 V146 | D141-G144 VanDerWaalsContact CG-N 3.3Å; D141-G144 CarbonylContact O-C 3.5Å; D141-G144 PolarHBondContact O-N 3.14Å; D141-G144 PolarHBondContact OD1-N 3.15Å; D141-G144 WeakPolarHBondContact OD2-CA 3.32Å; D141-G144 PolarHBondContact OD2-N 3.36Å; G144-V146 VanDerWaalsContact C-N 3.29Å; G144-V146 PolarHBondContact O-N 2.86Å |
| 145 | K | 97.7 | Very high | 97.3 | Very high | 159 Ų | 159 | 67.1 Ų | 67.1 | 69% | 0.691 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.3 | 40.3 | -174.3 | -58.9 | -178.9 | -179.6 | 179.5 | 0 | 113.5 | Y140 D141 E143 | Y140-K145 VanDerWaalsContact OH-C 3.29Å; Y140-K145 VanDerWaalsContact OH-CA 3.29Å; Y140-K145 WeakPolarHBondContact OH-CA 3.28Å; Y140-K145 PolarHBondContact OH-O 3.27Å; D141-K145 VanDerWaalsContact O-CA 3.26Å; D141-K145 WeakPolarHBondContact O-CA 3.18Å; D141-K145 PolarHBondContact O-N 3.27Å; E143-K145 VanDerWaalsContact C-N 3.26Å; E143-K145 PolarHBondContact O-N 2.88Å |
| 146 | V | 98 | Very high | 97.5 | Very high | 29 Ų | 29 | 68.9 Ų | 68.9 | 18% | 0.176 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 153.1 | -178.3 | -68.3 | 0 | 0 | 0 | 0 | 111.2 | N14 K122 Y140 D141 G144 L148 | N14-V146 HydrophobicContact CB-CB 4.36Å; N14-V146 HydrophobicContact CB-CG2 3.97Å; K122-V146 HydrophobicContact CB-CG2 3.88Å; K122-V146 HydrophobicContact CG-CB 4.3Å; K122-V146 HydrophobicContact CG-CG1 3.93Å; K122-V146 HydrophobicContact CG-CG2 3.46Å; K122-V146 VanDerWaalsContact CG-CG2 3.46Å; Y140-V146 WeakPolarHBondContact CD2-O 3.26Å; D141-V146 HydrophobicContact CB-CG2 4.09Å; D141-V146 PolarHBondContact N-O 2.91Å; D141-V146 PolarHBondContact O-N 2.98Å; G144-V146 VanDerWaalsContact C-N 3.29Å; G144-V146 PolarHBondContact O-N 2.86Å; V146-L148 HydrophobicContact CG2-CD2 4.02Å |
| 147 | Q | 98.2 | Very high | 97.6 | Very high | 85 Ų | 85 | 66 Ų | 66 | 40% | 0.397 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 137.4 | 166.8 | -175.8 | 177.5 | -78.8 | 0 | 0 | 109.6 | N14 L138 | N14-Q147 WeakPolarHBondContact CB-O 3.16Å; N14-Q147 PolarHBondContact ND2-O 3.32Å; L138-Q147 HydrophobicContact CD1-CG 3.43Å; L138-Q147 VanDerWaalsContact CD1-CG 3.43Å; L138-Q147 HydrophobicContact CG-CG 4.49Å |
| 148 | L | 98.2 | Very high | 97.6 | Very high | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 132.6 | 170.5 | -50.6 | -176.8 | 0 | 0 | 0 | 107.8 | N14 L15 Y127 W137 L138 E139 D141 V146 | N14-L148 HydrophobicContact CB-CD2 3.69Å; N14-L148 WeakPolarHBondContact O-CD2 3.39Å; L15-L148 HydrophobicContact CD2-CB 3.97Å; L15-L148 HydrophobicContact CD2-CD1 4.11Å; L15-L148 HydrophobicContact CD2-CD2 4.26Å; L15-L148 HydrophobicContact CD2-CG 4.35Å; Y127-L148 HydrophobicContact CD2-CD1 4.12Å; Y127-L148 HydrophobicContact CE2-CD1 3.4Å; Y127-L148 VanDerWaalsContact CE2-CD1 3.4Å; W137-L148 HydrophobicContact CH2-CB 4.14Å; W137-L148 HydrophobicContact CH2-CD1 4.16Å; W137-L148 HydrophobicContact CZ3-CB 3.7Å; W137-L148 HydrophobicContact CZ3-CD1 4.42Å; L138-L148 WeakPolarHBondContact CA-O 3.38Å; E139-L148 PolarHBondContact N-O 2.67Å; E139-L148 PolarHBondContact O-N 2.72Å; D141-L148 HydrophobicContact CB-CD1 4.08Å; D141-L148 HydrophobicContact CB-CD2 4.12Å; D141-L148 HydrophobicContact CB-CG 4.05Å; V146-L148 HydrophobicContact CG2-CD2 4.02Å |
| 149 | S | 97.7 | Very high | 97.5 | Very high | 4 Ų | 4 | 70.3 Ų | 70.3 | 3% | 0.028 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 153.5 | 175.4 | 69 | 0 | 0 | 0 | 0 | 113.4 | C12 E13 W137 | C12-S149 WeakPolarHBondContact CA-O 3.25Å; E13-S149 WeakPolarHBondContact CB-OG 3.46Å; E13-S149 PolarHBondContact N-O 2.77Å; E13-S149 PolarHBondContact O-N 3.38Å; W137-S149 CarbonylContact O-C 3.54Å; W137-S149 WeakPolarHBondContact O-CA 3.21Å |
| 150 | I | 98.1 | Very high | 97.3 | Very high | 0 Ų | 0 | 70.8 Ų | 70.8 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 127.6 | 165.1 | -60.1 | 167.5 | 0 | 0 | 0 | 105.9 | F10 T11 L15 L18 V118 I130 L132 E136 W137 V153 | F10-I150 HydrophobicContact CB-CG2 4.42Å; F10-I150 HydrophobicContact CD1-CG2 3.83Å; F10-I150 HydrophobicContact CE1-CG2 4.49Å; F10-I150 HydrophobicContact CG-CG2 4.43Å; T11-I150 CarbonylContact O-C 3.6Å; T11-I150 WeakPolarHBondContact O-CA 3.38Å; L15-I150 HydrophobicContact CD1-CD1 3.88Å; L15-I150 HydrophobicContact CD1-CG1 3.44Å; L15-I150 VanDerWaalsContact CD1-CG1 3.44Å; L18-I150 HydrophobicContact CD2-CD1 3.38Å; L18-I150 HydrophobicContact CD2-CG1 3.88Å; L18-I150 HydrophobicContact CD2-CG2 4.32Å; L18-I150 HydrophobicContact CG-CD1 3.86Å; L18-I150 HydrophobicContact CG-CG1 4.47Å; V118-I150 HydrophobicContact CG1-CD1 3.83Å; I130-I150 HydrophobicContact CD1-CD1 3.64Å; L132-I150 HydrophobicContact CD2-CB 4.07Å; L132-I150 HydrophobicContact CD2-CD1 4.23Å; L132-I150 HydrophobicContact CD2-CG2 3.92Å; E136-I150 CarbonylContact C-O 3.58Å; E136-I150 WeakPolarHBondContact CA-O 3.3Å; W137-I150 HydrophobicContact CB-CB 4.31Å; W137-I150 HydrophobicContact CB-CD1 4.47Å; W137-I150 HydrophobicContact CE3-CD1 4.21Å; W137-I150 HydrophobicContact CE3-CG1 4.32Å; W137-I150 PolarHBondContact N-O 2.64Å; W137-I150 PolarHBondContact O-N 2.88Å; I150-V153 HydrophobicContact CG2-CG2 4.18Å |
| 151 | E | 96.7 | Very high | 97.3 | Very high | 74 Ų | 74 | 69.8 Ų | 69.8 | 35% | 0.346 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 171.6 | 178.7 | -63.2 | 176.2 | -174.3 | 0 | 0 | 109.7 | T11 E136 V153 | T11-E151 PolarHBondContact N-O 2.86Å; T11-E151 PolarHBondContact O-N 3.23Å; E136-E151 HydrophobicContact CG-CG 4.47Å; E151-V153 VanDerWaalsContact C-N 3.32Å; E151-V153 PolarHBondContact O-N 3.48Å |
| 152 | N | 94.6 | Very high | 97.2 | Very high | 92 Ų | 92 | 73.3 Ų | 73.3 | 49% | 0.492 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 49.1 | 48.7 | 173.4 | -57.3 | -50.4 | 0 | 0 | 0 | 113.3 | T11 E154 | T11-N152 PolarHBondContact OG1-ND2 3.44Å; N152-E154 PolarHBondContact O-N 2.9Å |
| 153 | V | 97.1 | Very high | 97.3 | Very high | 17 Ų | 17 | 69.3 Ų | 69.3 | 10% | 0.103 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 111.1 | 176.5 | -175.4 | 0 | 0 | 0 | 0 | 109.3 | F10 A112 L132 N135 I150 E151 | F10-V153 HydrophobicContact CD1-CB 4.07Å; F10-V153 HydrophobicContact CD1-CG1 3.83Å; F10-V153 HydrophobicContact CD1-CG2 3.65Å; F10-V153 HydrophobicContact CE1-CB 4.1Å; F10-V153 HydrophobicContact CE1-CG1 3.42Å; F10-V153 VanDerWaalsContact CE1-CG1 3.42Å; F10-V153 HydrophobicContact CE1-CG2 3.76Å; F10-V153 HydrophobicContact CZ-CG1 4.39Å; A112-V153 HydrophobicContact CB-CG1 3.62Å; L132-V153 HydrophobicContact CD1-CG2 4.45Å; N135-V153 HydrophobicContact CB-CB 3.81Å; N135-V153 HydrophobicContact CB-CG2 3.85Å; N135-V153 WeakPolarHBondContact O-CG2 3.38Å; I150-V153 HydrophobicContact CG2-CG2 4.18Å; E151-V153 VanDerWaalsContact C-N 3.32Å; E151-V153 PolarHBondContact O-N 3.48Å |
| 154 | E | 97.8 | Very high | 97.3 | Very high | 83 Ų | 83 | 65.1 Ų | 65.1 | 39% | 0.388 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 144.3 | 175.5 | -70.5 | 178.1 | -115.8 | 0 | 0 | 110.3 | L8 K9 W94 N152 | L8-E154 CarbonylContact C-O 3.59Å; L8-E154 WeakPolarHBondContact CA-O 3.43Å; K9-E154 HydrophobicContact CB-CB 4.34Å; K9-E154 WeakPolarHBondContact CE-OE1 3.47Å; K9-E154 VanDerWaalsContact CE-OE2 3.28Å; K9-E154 WeakPolarHBondContact CE-OE2 3.29Å; K9-E154 PolarHBondContact N-O 2.97Å; K9-E154 IonicContact NZ-OE1 2.64Å; K9-E154 PolarHBondContact NZ-OE1 3.29Å; K9-E154 IonicContact NZ-OE2 2.97Å; K9-E154 PolarHBondContact NZ-OE2 3.41Å; K9-E154 PolarHBondContact O-N 2.79Å; W94-E154 HydrophobicContact CH2-CB 3.67Å; W94-E154 HydrophobicContact CZ2-CB 4.4Å; W94-E154 HydrophobicContact CZ3-CB 4.17Å; N152-E154 PolarHBondContact O-N 2.9Å |
| 155 | H | 98.3 | Very high | 97.3 | Very high | 63 Ų | 63 | 67.9 Ų | 67.9 | 29% | 0.292 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 152.5 | 179 | 74.5 | -98.3 | 0 | 0 | 0 | 111.6 | L6 E7 L8 D109 Y110 F157 | L6-H155 HydrophobicContact CD1-CB 4Å; E7-H155 WeakPolarHBondContact O-CA 3.18Å; L8-H155 HydrophobicContact CD2-CB 3.54Å; D109-H155 IonicContact OD1-CE1 3.22Å; D109-H155 PolarHBondContact OD1-CE1 3.18Å; D109-H155 VanDerWaalsContact OD1-CE1 3.22Å; D109-H155 IonicContact OD1-NE2 3.47Å; D109-H155 PolarHBondContact OD1-NE2 2.91Å; Y110-H155 HydrophobicContact CD1-CB 3.91Å; Y110-H155 PolarHBondContact N-NE2 2.86Å; H155-F157 AromaticContact CD2-CE2 3.94Å |
| 156 | R | 98.5 | Very high | 97.3 | Very high | 105 Ų | 105 | 61.8 Ų | 61.8 | 40% | 0.396 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 150.7 | 166.6 | 67.4 | -176.7 | -170.8 | -173.9 | 0.3 | 111.2 | E7 W94 V158 | E7-R156 HydrophobicContact CB-CG 3.9Å; E7-R156 PolarHBondContact N-O 3.43Å; E7-R156 PolarHBondContact O-N 3.15Å; E7-R156 IonicContact OE2-CZ 2.67Å; E7-R156 IonicContact OE2-NE 3.98Å; E7-R156 PolarHBondContact OE2-NE 3.1Å; E7-R156 IonicContact OE2-NH2 2.77Å; E7-R156 PolarHBondContact OE2-NH2 3.15Å; W94-R156 HydrophobicContact CD2-CG 4.3Å; W94-R156 HydrophobicContact CE3-CG 3.8Å; W94-R156 VanDerWaalsContact CG-CZ 3.46Å; W94-R156 HydrophobicContact CH2-CB 4.25Å; W94-R156 HydrophobicContact CH2-CG 4.18Å; W94-R156 HydrophobicContact CZ3-CB 4.15Å; W94-R156 HydrophobicContact CZ3-CG 3.75Å; R156-V158 HydrophobicContact CG-CG2 4.13Å |
| 157 | F | 98.3 | Very high | 97.2 | Very high | 51 Ų | 51 | 64.1 Ų | 64.1 | 22% | 0.224 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 127 | 172.7 | -66.1 | -71.6 | 0 | 0 | 0 | 110.4 | V4 A5 L6 L29 P107 H155 | V4-F157 HydrophobicContact CG1-CB 3.68Å; V4-F157 HydrophobicContact CG1-CD1 3.83Å; V4-F157 HydrophobicContact CG1-CG 4.15Å; A5-F157 CarbonylContact O-C 3.56Å; A5-F157 WeakPolarHBondContact O-CA 3.39Å; L6-F157 HydrophobicContact CB-CD1 4.31Å; L6-F157 HydrophobicContact CB-CE1 4.06Å; L6-F157 HydrophobicContact CD1-CD1 4.19Å; L6-F157 HydrophobicContact CD1-CE1 3.74Å; L6-F157 HydrophobicContact CD1-CZ 4.04Å; L6-F157 HydrophobicContact CG-CE1 4.38Å; L29-F157 HydrophobicContact CD2-CE1 4.05Å; L29-F157 HydrophobicContact CD2-CZ 3.8Å; P107-F157 HydrophobicContact CB-CD1 4.07Å; P107-F157 HydrophobicContact CB-CE1 3.56Å; P107-F157 HydrophobicContact CB-CE2 4.27Å; P107-F157 HydrophobicContact CB-CZ 3.68Å; P107-F157 HydrophobicContact CG-CD1 3.68Å; P107-F157 HydrophobicContact CG-CE1 3.62Å; P107-F157 HydrophobicContact CG-CG 4.29Å; P107-F157 HydrophobicContact CG-CZ 4.23Å; H155-F157 AromaticContact CD2-CE2 3.94Å |
| 158 | V | 97.9 | Very high | 97.1 | Very high | 45 Ų | 45 | 62.5 Ų | 62.5 | 27% | 0.273 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 128.6 | -178.6 | -177.4 | 0 | 0 | 0 | 0 | 109.4 | V4 A5 E7 R156 | V4-V158 CarbonylContact C-O 3.52Å; V4-V158 WeakPolarHBondContact CA-O 3.43Å; A5-V158 PolarHBondContact N-O 3.05Å; A5-V158 PolarHBondContact O-N 3.05Å; E7-V158 HydrophobicContact CG-CG2 4.22Å; R156-V158 HydrophobicContact CG-CG2 4.13Å |
| 159 | R | 95.9 | Very high | 97 | Very high | 183 Ų | 183 | 67.8 Ų | 67.8 | 69% | 0.691 | 32% | 0.318 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 134.9 | 173.1 | -70.2 | -175.2 | 173.5 | -179.9 | -1.3 | 110.2 | K3 E106 | K3-R159 WeakPolarHBondContact O-CA 3.46Å; E106-R159 IonicContact OE2-NH2 3.81Å; E106-R159 PolarHBondContact OE2-NH2 2.97Å |
| 160 | V | 93.7 | Very high | 97 | Very high | 96 Ų | 96 | 73.5 Ų | 73.5 | 58% | 0.582 | 34% | 0.344 | S | S | * | . | trans | -128.1 | 0 | -178.7 | -58.3 | 0 | 0 | 0 | 0 | 113.6 | K3 A5 V99 | K3-V160 HydrophobicContact CB-CG2 3.39Å; K3-V160 HydrophobicContact CD-CG2 4.41Å; K3-V160 PolarHBondContact O-N 2.82Å; A5-V160 HydrophobicContact CB-CG1 3.71Å; V99-V160 HydrophobicContact CG1-CG2 3.64Å |
Retrieved 160 of 160 residues in 99.3 ms
(Link to these results)