| 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 | 81.6 | Confident | 96.3 | Very high | 144 Ų | 144 | 32.8 Ų | 32.8 | 71% | 0.709 | 17% | 0.168 | S | C | * | . | 0 | 128.8 | 0 | -165 | -179.3 | 78.2 | 0 | 0 | 106.6 | D101 C102 | M1-D101 WeakPolarHBondContact CG-OD1 3.35Å; M1-C102 CarbonylContact C-O 3.58Å; M1-C102 WeakPolarHBondContact CA-O 3.44Å | |||
| 2 | V | 91.7 | Very high | 96.5 | Very high | 53 Ų | 53 | 30.9 Ų | 30.9 | 32% | 0.321 | 16% | 0.158 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 124.8 | 176.8 | -178.1 | 0 | 0 | 0 | 0 | 106.9 | L4 C102 K159 | V2-L4 HydrophobicContact CG1-CD2 3.61Å; V2-L4 HydrophobicContact CG1-CG 4.08Å; V2-C102 PolarHBondContact N-O 2.97Å; V2-C102 PolarHBondContact O-N 3.08Å; V2-K159 HydrophobicContact CG1-CD 4.47Å; V2-K159 HydrophobicContact CG1-CG 4.28Å |
| 3 | L | 96.8 | Very high | 96.7 | Very high | 36 Ų | 36 | 32.8 Ų | 32.8 | 19% | 0.188 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 120.6 | 171.9 | -62.4 | -179.1 | 0 | 0 | 0 | 108.3 | I79 F100 D101 L160 | L3-I79 HydrophobicContact CD2-CD1 3.83Å; L3-F100 WeakPolarHBondContact CA-O 3.18Å; L3-D101 HydrophobicContact CD2-CB 4.19Å; L3-L160 HydrophobicContact CB-CB 3.96Å; L3-L160 PolarHBondContact O-N 3.27Å |
| 4 | L | 98.3 | Very high | 96.8 | Very high | 2 Ų | 2 | 34 Ų | 34 | 1% | 0.01 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 141.7 | 177.3 | -62.5 | -177 | 0 | 0 | 0 | 110.2 | V2 K99 F100 C102 E106 F107 I157 I158 K159 | V2-L4 HydrophobicContact CG1-CD2 3.61Å; V2-L4 HydrophobicContact CG1-CG 4.08Å; L4-K99 CarbonylContact O-C 3.56Å; L4-K99 VanDerWaalsContact O-CA 3.31Å; L4-K99 WeakPolarHBondContact O-CA 3.45Å; L4-F100 PolarHBondContact N-O 3.03Å; L4-F100 PolarHBondContact O-N 3.36Å; L4-C102 HydrophobicContact CD1-CB 4.47Å; L4-E106 HydrophobicContact CD1-CB 4.13Å; L4-F107 HydrophobicContact CB-CD2 4.29Å; L4-F107 HydrophobicContact CD1-CB 4.24Å; L4-F107 HydrophobicContact CD1-CD2 3.72Å; L4-F107 HydrophobicContact CD1-CE2 4.22Å; L4-F107 HydrophobicContact CD1-CG 3.97Å; L4-I157 HydrophobicContact CB-CG2 4.31Å; L4-I157 HydrophobicContact CD1-CG2 4.2Å; L4-I157 HydrophobicContact CD2-CG2 4.31Å; L4-I158 CarbonylContact C-O 3.53Å; L4-I158 WeakPolarHBondContact CA-O 3.49Å; L4-K159 HydrophobicContact CD2-CB 4.43Å; L4-K159 HydrophobicContact CD2-CG 3.69Å |
| 5 | G | 98.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 131.2 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110 | A98 I157 I158 | G5-A98 WeakPolarHBondContact CA-O 3.27Å; G5-I157 WeakPolarHBondContact O-CA 3.4Å; G5-I158 PolarHBondContact N-O 2.71Å; G5-I158 PolarHBondContact O-N 3.33Å |
| 6 | V | 98.7 | Very high | 97 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 118.5 | 162.4 | 172.4 | 0 | 0 | 0 | 0 | 106.8 | I8 W27 L29 T96 I97 A98 F100 F110 I157 | V6-I8 HydrophobicContact CG1-CG2 4.46Å; V6-W27 HydrophobicContact CG1-CZ3 4.35Å; V6-L29 HydrophobicContact CG2-CD2 4.13Å; V6-T96 WeakPolarHBondContact O-CA 3.34Å; V6-I97 HydrophobicContact CG1-CG1 4.36Å; V6-I97 PolarHBondContact O-N 3.38Å; V6-A98 PolarHBondContact N-O 2.92Å; V6-F100 HydrophobicContact CB-CE2 4.23Å; V6-F100 HydrophobicContact CG2-CD2 4.17Å; V6-F100 HydrophobicContact CG2-CE2 3.5Å; V6-F100 HydrophobicContact CG2-CZ 4.31Å; V6-F110 HydrophobicContact CG1-CB 4.32Å; V6-F110 HydrophobicContact CG1-CD1 3.57Å; V6-F110 HydrophobicContact CG1-CD2 4.31Å; V6-F110 HydrophobicContact CG1-CE1 3.87Å; V6-F110 HydrophobicContact CG1-CG 3.8Å; V6-F110 HydrophobicContact CG1-CZ 4.37Å; V6-I157 HydrophobicContact CB-CD1 4.44Å; V6-I157 HydrophobicContact CG2-CD1 3.66Å |
| 7 | Q | 98.7 | Very high | 97.1 | Very high | 27 Ų | 27 | 33.8 Ų | 33.8 | 13% | 0.126 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 142.3 | 169.2 | -53.2 | -160.6 | -49.3 | 0 | 0 | 110.4 | F94 K95 T96 S155 Q156 I158 | Q7-F94 HydrophobicContact CB-CB 4.38Å; Q7-F94 HydrophobicContact CB-CD1 4.03Å; Q7-K95 WeakPolarHBondContact CA-O 3.47Å; Q7-K95 WeakPolarHBondContact CB-O 3.27Å; Q7-T96 WeakPolarHBondContact CG-OG1 3.34Å; Q7-T96 PolarHBondContact NE2-OG1 2.84Å; Q7-S155 CarbonylContact O-C 3.54Å; Q7-S155 VanDerWaalsContact O-CA 3.26Å; Q7-S155 WeakPolarHBondContact O-CA 3.31Å; Q7-Q156 HydrophobicContact CB-CG 3.86Å; Q7-Q156 HydrophobicContact CG-CG 4.44Å; Q7-Q156 PolarHBondContact N-O 2.96Å; Q7-Q156 PolarHBondContact O-N 3.44Å; Q7-I158 HydrophobicContact CG-CD1 3.92Å; Q7-I158 HydrophobicContact CG-CG1 4.07Å; Q7-I158 HydrophobicContact CG-CG2 4.42Å |
| 8 | I | 98.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 155.4 | 169.3 | 66.1 | 163.9 | 0 | 0 | 0 | 109.6 | V6 L18 Y86 F94 K95 I97 F110 F153 Q154 | V6-I8 HydrophobicContact CG1-CG2 4.46Å; I8-L18 HydrophobicContact CD1-CD2 4.23Å; I8-Y86 HydrophobicContact CD1-CD2 3.89Å; I8-Y86 HydrophobicContact CD1-CG 3.96Å; I8-Y86 HydrophobicContact CG1-CD2 3.62Å; I8-Y86 HydrophobicContact CG1-CE2 4.07Å; I8-Y86 HydrophobicContact CG1-CG 4.22Å; I8-Y86 WeakPolarHBondContact O-CE2 3.34Å; I8-F94 WeakPolarHBondContact O-CA 3.22Å; I8-K95 PolarHBondContact N-O 2.98Å; I8-K95 PolarHBondContact O-N 2.82Å; I8-I97 HydrophobicContact CB-CD1 4.38Å; I8-I97 HydrophobicContact CD1-CD1 3.85Å; I8-I97 HydrophobicContact CD1-CG2 4.16Å; I8-I97 HydrophobicContact CG1-CD1 3.87Å; I8-I97 HydrophobicContact CG1-CG1 4.2Å; I8-I97 HydrophobicContact CG1-CG2 3.79Å; I8-I97 HydrophobicContact CG2-CD1 3.62Å; I8-I97 HydrophobicContact CG2-CG1 4.16Å; I8-F110 HydrophobicContact CG2-CD1 4.38Å; I8-F110 HydrophobicContact CG2-CE1 4.01Å; I8-F153 HydrophobicContact CB-CE2 3.98Å; I8-F153 HydrophobicContact CB-CZ 3.95Å; I8-F153 HydrophobicContact CD1-CE2 3.98Å; I8-F153 HydrophobicContact CG2-CE1 4.39Å; I8-F153 HydrophobicContact CG2-CE2 3.96Å; I8-F153 HydrophobicContact CG2-CZ 3.49Å; I8-F153 VanDerWaalsContact CG2-CZ 3.49Å; I8-Q154 CarbonylContact C-O 3.53Å; I8-Q154 VanDerWaalsContact CA-O 3.27Å; I8-Q154 WeakPolarHBondContact CA-O 3Å |
| 9 | S | 98.7 | Very high | 97.3 | Very high | 10 Ų | 10 | 31.8 Ų | 31.8 | 7% | 0.07 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 133.5 | 166.9 | 176.9 | 0 | 0 | 0 | 0 | 107.3 | Y86 H93 F153 Q154 | S9-Y86 WeakPolarHBondContact CA-OH 3.41Å; S9-H93 PolarHBondContact OG-N 2.83Å; S9-F153 CarbonylContact O-C 3.46Å; S9-F153 WeakPolarHBondContact O-CA 3.2Å; S9-Q154 PolarHBondContact N-O 3.01Å; S9-Q154 PolarHBondContact O-N 3.35Å |
| 10 | C | 98.8 | Very high | 97.3 | Very high | 1 Ų | 1 | 31.3 Ų | 31.3 | 1% | 0.007 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.3 | 160 | 173.8 | 59.4 | 0 | 0 | 0 | 0 | 109.9 | Y86 S91 G92 I150 Q151 F153 | C10-Y86 PolarHBondContact N-OH 2.5Å; C10-Y86 PolarHBondContact O-OH 3.32Å; C10-Y86 WeakPolarHBondContact SG-CE1 3.5Å; C10-S91 WeakPolarHBondContact O-CA 3.3Å; C10-G92 PolarHBondContact O-N 2.88Å; C10-I150 HydrophobicContact CB-CG2 3.89Å; C10-Q151 WeakPolarHBondContact CA-O 3.3Å; C10-Q151 WeakPolarHBondContact CB-O 3.41Å; C10-F153 HydrophobicContact CB-CB 4.39Å; C10-F153 HydrophobicContact CB-CD2 4.1Å |
| 11 | E | 98.8 | Very high | 97.2 | Very high | 88 Ų | 88 | 32 Ų | 32 | 41% | 0.411 | 18% | 0.177 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 113.7 | 171.7 | -72 | 173.3 | -157 | 0 | 0 | 108.9 | S91 I150 Q151 N152 | E11-S91 WeakPolarHBondContact CA-OG 3.28Å; E11-I150 WeakPolarHBondContact O-CA 3.23Å; E11-Q151 HydrophobicContact CB-CB 4.43Å; E11-Q151 PolarHBondContact N-O 3.49Å; E11-Q151 PolarHBondContact O-N 2.78Å; E11-N152 HydrophobicContact CG-CB 4.45Å; E11-N152 PolarHBondContact OE1-ND2 2.7Å; E11-N152 PolarHBondContact OE2-ND2 2.85Å; E11-N152 VanDerWaalsContact OE2-ND2 3.15Å |
| 12 | L | 98.8 | Very high | 97.8 | Very high | 10 Ų | 10 | 27.8 Ų | 27.8 | 5% | 0.052 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 125.4 | 174.2 | -61.1 | -173.6 | 0 | 0 | 0 | 110.2 | L18 Y86 L88 S91 I150 | L12-L18 HydrophobicContact CD2-CD2 4.45Å; L12-Y86 HydrophobicContact CD1-CD1 3.87Å; L12-Y86 HydrophobicContact CD1-CE1 4.17Å; L12-Y86 HydrophobicContact CG-CD1 4.28Å; L12-Y86 HydrophobicContact CG-CE1 4.19Å; L12-L88 HydrophobicContact CB-CD1 3.88Å; L12-L88 WeakPolarHBondContact O-CD1 3.47Å; L12-S91 PolarHBondContact N-OG 2.78Å; L12-I150 HydrophobicContact CD2-CB 4.39Å; L12-I150 HydrophobicContact CD2-CG1 3.79Å; L12-I150 HydrophobicContact CD2-CG2 4.22Å |
| 13 | T | 98.8 | Very high | 97.7 | Very high | 55 Ų | 55 | 31.8 Ų | 31.8 | 34% | 0.337 | 18% | 0.181 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 117.6 | 169.5 | -58.2 | 0 | 0 | 0 | 0 | 108.8 | L15 V148 S149 | T13-L15 PolarHBondContact O-N 3.18Å; T13-V148 VanDerWaalsContact O-CA 3.32Å; T13-V148 WeakPolarHBondContact O-CA 3.45Å; T13-S149 VanDerWaalsContact CB-OG 3.28Å; T13-S149 WeakPolarHBondContact CB-OG 3.46Å; T13-S149 PolarHBondContact N-O 2.87Å; T13-S149 PolarHBondContact O-N 3.41Å; T13-S149 PolarHBondContact OG1-OG 3.13Å |
| 14 | N | 98.8 | Very high | 97.6 | Very high | 50 Ų | 50 | 34.2 Ų | 34.2 | 27% | 0.267 | 19% | 0.194 | S | C | . | . | S | Bend | trans | 55.8 | 18.4 | 177.4 | -62.7 | -45.2 | 0 | 0 | 0 | 115.8 | V121 N122 E147 V148 | N14-V121 HydrophobicContact CB-CG2 4.34Å; N14-V121 PolarHBondContact O-N 3.08Å; N14-V121 VanDerWaalsContact O-N 3.08Å; N14-N122 WeakPolarHBondContact CB-ND2 3.46Å; N14-N122 VanDerWaalsContact CG-ND2 3.27Å; N14-N122 PolarHBondContact OD1-ND2 2.98Å; N14-E147 WeakPolarHBondContact CB-O 3.33Å; N14-E147 PolarHBondContact ND2-O 3.01Å; N14-V148 HydrophobicContact CB-CG1 3.85Å |
| 15 | L | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 153.9 | 177.1 | -69.8 | 174.7 | 0 | 0 | 0 | 111.1 | T13 L88 A118 S119 F127 W137 V148 I150 | T13-L15 PolarHBondContact O-N 3.18Å; L15-L88 WeakPolarHBondContact O-CB 3.43Å; L15-A118 HydrophobicContact CB-CB 4.39Å; L15-A118 HydrophobicContact CD1-CB 4.22Å; L15-A118 HydrophobicContact CD2-CB 4.09Å; L15-A118 HydrophobicContact CG-CB 4.48Å; L15-S119 CarbonylContact C-O 3.48Å; L15-S119 WeakPolarHBondContact CA-O 3.15Å; L15-F127 HydrophobicContact CD2-CD2 3.65Å; L15-F127 HydrophobicContact CD2-CE2 3.87Å; L15-W137 HydrophobicContact CD1-CE3 4.28Å; L15-W137 HydrophobicContact CD1-CZ3 3.85Å; L15-V148 HydrophobicContact CD1-CB 4.16Å; L15-V148 HydrophobicContact CD2-CB 3.82Å; L15-V148 HydrophobicContact CD2-CG1 3.85Å; L15-V148 HydrophobicContact CD2-CG2 4.42Å; L15-V148 HydrophobicContact CG-CB 3.77Å; L15-V148 HydrophobicContact CG-CG1 4.09Å; L15-I150 HydrophobicContact CD1-CD1 4.29Å; L15-I150 HydrophobicContact CD1-CG1 3.82Å |
| 16 | T | 98.7 | Very high | 97.5 | Very high | 28 Ų | 28 | 39.7 Ų | 39.7 | 17% | 0.172 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 173.5 | 168.4 | -167 | 0 | 0 | 0 | 0 | 109.8 | L18 L88 S119 V121 | T16-L18 VanDerWaalsContact C-N 3.34Å; T16-L18 PolarHBondContact O-N 3.41Å; T16-L88 PolarHBondContact OG1-N 3.13Å; T16-S119 PolarHBondContact N-O 3.31Å; T16-S119 PolarHBondContact O-N 3.17Å; T16-V121 HydrophobicContact CG2-CG1 3.81Å |
| 17 | N | 98.4 | Very high | 97.5 | Very high | 71 Ų | 71 | 39.8 Ų | 39.8 | 38% | 0.38 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 54.2 | 44 | 176.7 | -56.8 | -34.5 | 0 | 0 | 0 | 114.1 | S19 P85 Y86 | N17-S19 PolarHBondContact O-N 2.76Å; N17-P85 HydrophobicContact CB-CB 4.39Å; N17-Y86 PolarHBondContact N-O 2.91Å |
| 18 | L | 98.8 | Very high | 97.5 | Very high | 1 Ų | 1 | 40.5 Ų | 40.5 | 1% | 0.005 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.1 | 118.1 | 170.7 | 175.5 | 65.1 | 0 | 0 | 0 | 109.7 | I8 L12 T16 P85 Y86 W116 S117 A118 L132 I150 | I8-L18 HydrophobicContact CD1-CD2 4.23Å; L12-L18 HydrophobicContact CD2-CD2 4.45Å; T16-L18 VanDerWaalsContact C-N 3.34Å; T16-L18 PolarHBondContact O-N 3.41Å; L18-P85 WeakPolarHBondContact O-CA 3.43Å; L18-Y86 PolarHBondContact N-O 3.08Å; L18-Y86 PolarHBondContact O-N 3.22Å; L18-W116 HydrophobicContact CD1-CB 3.88Å; L18-W116 HydrophobicContact CD1-CD2 4.31Å; L18-W116 HydrophobicContact CD1-CE3 3.89Å; L18-W116 HydrophobicContact CD1-CG 4.34Å; L18-W116 HydrophobicContact CG-CE3 3.98Å; L18-S117 VanDerWaalsContact CA-O 3.3Å; L18-S117 WeakPolarHBondContact CA-O 3.49Å; L18-A118 HydrophobicContact CB-CB 4.48Å; L18-A118 HydrophobicContact CD1-CB 4.38Å; L18-L132 HydrophobicContact CD2-CD1 4.27Å; L18-I150 HydrophobicContact CD1-CD1 3.74Å; L18-I150 HydrophobicContact CD2-CD1 4.07Å; L18-I150 HydrophobicContact CD2-CG2 4.4Å; L18-I150 HydrophobicContact CG-CD1 4.48Å |
| 19 | S | 98.3 | Very high | 97.5 | Very high | 29 Ų | 29 | 40.5 Ų | 40.5 | 20% | 0.203 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.2 | 166.4 | -179 | 55.8 | 0 | 0 | 0 | 0 | 111.7 | N17 S21 W116 S117 | N17-S19 PolarHBondContact O-N 2.76Å; S19-S21 PolarHBondContact O-N 3.03Å; S19-W116 VanDerWaalsContact C-CE3 3.44Å; S19-W116 CarbonylContact O-C 3.57Å; S19-W116 WeakPolarHBondContact O-CA 3.02Å; S19-S117 PolarHBondContact N-O 2.79Å; S19-S117 PolarHBondContact O-N 3.04Å |
| 20 | P | 98 | Very high | 97.5 | Very high | 20 Ų | 20 | 42.6 Ų | 42.6 | 13% | 0.13 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -49.7 | 137.6 | 163.8 | -31.1 | 39.5 | 0 | 0 | 0 | 112.5 | C22 F25 W27 I83 W116 | P20-C22 VanDerWaalsContact C-N 3.35Å; P20-F25 HydrophobicContact CB-CB 3.62Å; P20-F25 HydrophobicContact CB-CD1 4.11Å; P20-F25 HydrophobicContact CB-CD2 3.77Å; P20-F25 HydrophobicContact CB-CE2 4.46Å; P20-F25 HydrophobicContact CB-CG 3.56Å; P20-F25 HydrophobicContact CG-CB 4.28Å; P20-F25 HydrophobicContact CG-CD1 3.89Å; P20-F25 HydrophobicContact CG-CD2 4.28Å; P20-F25 HydrophobicContact CG-CE1 4.29Å; P20-F25 HydrophobicContact CG-CG 3.89Å; P20-W27 HydrophobicContact CG-CH2 4.28Å; P20-W27 HydrophobicContact CG-CZ2 3.79Å; P20-I83 HydrophobicContact CG-CG2 4.12Å; P20-W116 HydrophobicContact CG-CZ3 4.45Å |
| 21 | S | 95.7 | Very high | 97.4 | Very high | 46 Ų | 46 | 42.8 Ų | 42.8 | 32% | 0.322 | 23% | 0.226 | S | C | . | . | S | Bend | trans | -76.5 | -22.1 | -179.5 | 59.6 | 0 | 0 | 0 | 0 | 113.5 | S19 G115 | S19-S21 PolarHBondContact O-N 3.03Å; S21-G115 PolarHBondContact N-O 3.15Å; S21-G115 PolarHBondContact OG-O 3.15Å; S21-G115 VanDerWaalsContact OG-O 3.08Å |
| 22 | C | 93.2 | Very high | 97.4 | Very high | 56 Ų | 56 | 41.4 Ų | 41.4 | 38% | 0.378 | 22% | 0.218 | S | C | . | . | S | Bend | trans | -147.4 | 164.8 | -175.5 | 57.3 | 0 | 0 | 0 | 0 | 112.6 | P20 D24 F25 | P20-C22 VanDerWaalsContact C-N 3.35Å; C22-D24 WeakPolarHBondContact CB-OD1 3.34Å; C22-D24 PolarHBondContact SG-OD1 3.34Å; C22-F25 WeakPolarHBondContact O-CB 2.97Å; C22-F25 PolarHBondContact O-N 2.85Å |
| 23 | D | 90.9 | Very high | 97.3 | Very high | 137 Ų | 137 | 41.4 Ų | 41.4 | 73% | 0.733 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.8 | -24 | -177.4 | -69.8 | -27.5 | 0 | 0 | 0 | 113.4 | F25 L49 | D23-F25 PolarHBondContact O-N 2.86Å; D23-L49 HydrophobicContact CB-CD1 3.93Å; D23-L49 HydrophobicContact CB-CD2 4.32Å; D23-L49 HydrophobicContact CB-CG 4.25Å |
| 24 | D | 93.4 | Very high | 97.2 | Very high | 88 Ų | 88 | 41.7 Ų | 41.7 | 47% | 0.471 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | 22.4 | 172.9 | 59.9 | -29.3 | 0 | 0 | 0 | 113.1 | C22 R26 L49 | C22-D24 WeakPolarHBondContact CB-OD1 3.34Å; C22-D24 PolarHBondContact SG-OD1 3.34Å; D24-R26 PolarHBondContact O-N 2.84Å; D24-L49 HydrophobicContact CB-CD1 4.07Å |
| 25 | F | 97.3 | Very high | 97.1 | Very high | 8 Ų | 8 | 43.4 Ų | 43.4 | 4% | 0.035 | 24% | 0.242 | C | C | . | . | trans | -61.1 | 132.7 | 177.2 | -177.7 | -91.9 | 0 | 0 | 0 | 112 | P20 C22 D23 W27 G115 W116 | P20-F25 HydrophobicContact CB-CB 3.62Å; P20-F25 HydrophobicContact CB-CD1 4.11Å; P20-F25 HydrophobicContact CB-CD2 3.77Å; P20-F25 HydrophobicContact CB-CE2 4.46Å; P20-F25 HydrophobicContact CB-CG 3.56Å; P20-F25 HydrophobicContact CG-CB 4.28Å; P20-F25 HydrophobicContact CG-CD1 3.89Å; P20-F25 HydrophobicContact CG-CD2 4.28Å; P20-F25 HydrophobicContact CG-CE1 4.29Å; P20-F25 HydrophobicContact CG-CG 3.89Å; C22-F25 WeakPolarHBondContact O-CB 2.97Å; C22-F25 PolarHBondContact O-N 2.85Å; D23-F25 PolarHBondContact O-N 2.86Å; F25-W27 AromaticContact CD1-CD1 3.8Å; F25-W27 HydrophobicContact CD1-CD2 4Å; F25-W27 AromaticContact CD1-CE2 3.69Å; F25-W27 HydrophobicContact CD1-CG 4.09Å; F25-W27 HydrophobicContact CD1-CZ2 4.18Å; F25-W27 AromaticContact CD1-NE1 3.58Å; F25-W27 AromaticContact CE1-CD2 3.9Å; F25-W27 HydrophobicContact CE1-CD2 3.9Å; F25-W27 AromaticContact CE1-CE2 3.95Å; F25-W27 HydrophobicContact CE1-CE3 4.24Å; F25-W27 HydrophobicContact CE1-CG 4.21Å; F25-W27 HydrophobicContact CE1-CZ2 4.32Å; F25-G115 WeakPolarHBondContact CD2-O 3.04Å; F25-G115 VanDerWaalsContact CE2-O 3.28Å; F25-G115 WeakPolarHBondContact CE2-O 3.38Å; F25-W116 HydrophobicContact CE1-CZ2 4.15Å; F25-W116 HydrophobicContact CE2-CD2 4.36Å; F25-W116 AromaticContact CE2-CE2 3.95Å; F25-W116 HydrophobicContact CE2-CG 4.48Å; F25-W116 HydrophobicContact CE2-CZ2 4.37Å; F25-W116 AromaticContact CE2-NE1 3.81Å; F25-W116 HydrophobicContact CZ-CD2 4.33Å; F25-W116 AromaticContact CZ-CE2 3.54Å; F25-W116 HydrophobicContact CZ-CH2 4.32Å; F25-W116 AromaticContact CZ-CZ2 3.54Å; F25-W116 HydrophobicContact CZ-CZ2 3.54Å; F25-W116 AromaticContact CZ-NE1 3.59Å | ||
| 26 | R | 97.7 | Very high | 97.1 | Very high | 109 Ų | 109 | 45.7 Ų | 45.7 | 41% | 0.411 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 110 | -177.5 | -70.4 | -177.2 | 179.6 | 165.9 | 1.9 | 111.4 | D24 Y28 Y45 | D24-R26 PolarHBondContact O-N 2.84Å; R26-Y28 HydrophobicContact CB-CD2 4.21Å; R26-Y28 HydrophobicContact CB-CE2 3.57Å; R26-Y28 WeakPolarHBondContact CD-OH 3.25Å; R26-Y28 WeakPolarHBondContact O-CD2 3.35Å; R26-Y28 WeakPolarHBondContact O-CE2 3.39Å; R26-Y28 PolarHBondContact O-N 2.89Å; R26-Y45 HydrophobicContact CB-CD2 4.2Å; R26-Y45 HydrophobicContact CB-CG 4.2Å; R26-Y45 HydrophobicContact CG-CD2 3.73Å; R26-Y45 HydrophobicContact CG-CE2 4.22Å; R26-Y45 HydrophobicContact CG-CG 4.12Å |
| 27 | W | 98.3 | Very high | 97 | Very high | 2 Ų | 2 | 46.1 Ų | 46.1 | 1% | 0.008 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 97.5 | 174.9 | -64.4 | 84.1 | 0 | 0 | 0 | 110.6 | V6 P20 F25 L29 Y45 I46 I78 I83 I97 A98 F100 F110 W116 | V6-W27 HydrophobicContact CG1-CZ3 4.35Å; P20-W27 HydrophobicContact CG-CH2 4.28Å; P20-W27 HydrophobicContact CG-CZ2 3.79Å; F25-W27 AromaticContact CD1-CD1 3.8Å; F25-W27 HydrophobicContact CD1-CD2 4Å; F25-W27 AromaticContact CD1-CE2 3.69Å; F25-W27 HydrophobicContact CD1-CG 4.09Å; F25-W27 HydrophobicContact CD1-CZ2 4.18Å; F25-W27 AromaticContact CD1-NE1 3.58Å; F25-W27 AromaticContact CE1-CD2 3.9Å; F25-W27 HydrophobicContact CE1-CD2 3.9Å; F25-W27 AromaticContact CE1-CE2 3.95Å; F25-W27 HydrophobicContact CE1-CE3 4.24Å; F25-W27 HydrophobicContact CE1-CG 4.21Å; F25-W27 HydrophobicContact CE1-CZ2 4.32Å; W27-L29 HydrophobicContact CB-CD1 4.31Å; W27-L29 PolarHBondContact O-N 3.3Å; W27-Y45 VanDerWaalsContact O-CA 3.28Å; W27-Y45 WeakPolarHBondContact O-CA 3.15Å; W27-I46 HydrophobicContact CB-CB 4.45Å; W27-I46 PolarHBondContact N-O 2.89Å; W27-I46 PolarHBondContact O-N 3Å; W27-I46 VanDerWaalsContact O-N 3.08Å; W27-I78 VanDerWaalsContact CD1-CD1 3.47Å; W27-I78 HydrophobicContact CG-CD1 4.38Å; W27-I83 HydrophobicContact CZ2-CD1 4.18Å; W27-I83 HydrophobicContact CZ2-CG1 4.15Å; W27-I83 HydrophobicContact CZ2-CG2 4.37Å; W27-I97 HydrophobicContact CH2-CD1 3.84Å; W27-I97 HydrophobicContact CH2-CG1 4.2Å; W27-I97 HydrophobicContact CZ3-CD1 3.83Å; W27-I97 HydrophobicContact CZ3-CG1 4.25Å; W27-A98 HydrophobicContact CD2-CB 4.44Å; W27-A98 HydrophobicContact CE3-CB 4.2Å; W27-A98 HydrophobicContact CH2-CB 3.39Å; W27-A98 HydrophobicContact CZ2-CB 3.63Å; W27-A98 HydrophobicContact CZ3-CB 3.69Å; W27-F100 HydrophobicContact CB-CE1 4.24Å; W27-F100 HydrophobicContact CB-CZ 4.01Å; W27-F100 AromaticContact CD2-CZ 3.84Å; W27-F100 HydrophobicContact CD2-CZ 3.84Å; W27-F100 HydrophobicContact CE3-CZ 4.05Å; W27-F100 HydrophobicContact CG-CE1 4.24Å; W27-F100 AromaticContact CG-CZ 3.82Å; W27-F100 HydrophobicContact CG-CZ 3.82Å; W27-F110 HydrophobicContact CE3-CD2 4.42Å; W27-F110 AromaticContact CE3-CE2 3.58Å; W27-F110 HydrophobicContact CE3-CE2 3.58Å; W27-F110 AromaticContact CE3-CZ 3.78Å; W27-F110 HydrophobicContact CE3-CZ 3.78Å; W27-F110 HydrophobicContact CZ3-CE2 4.14Å; W27-F110 AromaticContact CZ3-CZ 3.86Å; W27-F110 HydrophobicContact CZ3-CZ 3.86Å; W27-W116 HydrophobicContact CH2-CH2 4.42Å; W27-W116 HydrophobicContact CZ3-CH2 4.46Å |
| 28 | Y | 98.6 | Very high | 96.9 | Very high | 42 Ų | 42 | 47.8 Ų | 47.8 | 17% | 0.165 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 118 | -178.6 | -67.2 | -86.2 | 0 | 0 | 0 | 112 | R26 V44 Y45 F110 S111 R113 | R26-Y28 HydrophobicContact CB-CD2 4.21Å; R26-Y28 HydrophobicContact CB-CE2 3.57Å; R26-Y28 WeakPolarHBondContact CD-OH 3.25Å; R26-Y28 WeakPolarHBondContact O-CD2 3.35Å; R26-Y28 WeakPolarHBondContact O-CE2 3.39Å; R26-Y28 PolarHBondContact O-N 2.89Å; Y28-V44 CarbonylContact C-O 3.53Å; Y28-V44 VanDerWaalsContact CA-O 3.26Å; Y28-V44 WeakPolarHBondContact CA-O 3.35Å; Y28-Y45 AromaticContact CE1-CD1 3.97Å; Y28-Y45 HydrophobicContact CE1-CD1 3.97Å; Y28-Y45 HydrophobicContact CE1-CG 4.24Å; Y28-F110 VanDerWaalsContact O-CD2 3.3Å; Y28-F110 WeakPolarHBondContact O-CD2 3.44Å; Y28-S111 PolarHBondContact O-N 3.43Å; Y28-R113 HydrophobicContact CD2-CB 4.23Å; Y28-R113 VanDerWaalsContact CD2-CD 3.4Å; Y28-R113 HydrophobicContact CD2-CG 3.89Å; Y28-R113 HydrophobicContact CE2-CB 4.41Å; Y28-R113 HydrophobicContact CE2-CG 4.38Å; Y28-R113 HydrophobicContact CG-CG 4.36Å |
| 29 | L | 98.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 141.3 | -172.2 | -64.5 | 154.2 | 0 | 0 | 0 | 111 | V6 W27 V44 I46 F100 F107 E109 F110 I157 | V6-L29 HydrophobicContact CG2-CD2 4.13Å; W27-L29 HydrophobicContact CB-CD1 4.31Å; W27-L29 PolarHBondContact O-N 3.3Å; L29-V44 PolarHBondContact N-O 3.3Å; L29-V44 WeakPolarHBondContact O-CG2 3.43Å; L29-V44 PolarHBondContact O-N 2.71Å; L29-I46 HydrophobicContact CD1-CD1 3.73Å; L29-I46 HydrophobicContact CD1-CG1 4.04Å; L29-F100 HydrophobicContact CD1-CE1 4.22Å; L29-F100 HydrophobicContact CD1-CZ 4.34Å; L29-F107 HydrophobicContact CB-CD1 4.14Å; L29-F107 HydrophobicContact CB-CG 4.36Å; L29-F107 HydrophobicContact CD1-CD1 4.07Å; L29-F107 HydrophobicContact CD1-CD2 3.95Å; L29-F107 HydrophobicContact CD1-CE1 3.86Å; L29-F107 HydrophobicContact CD1-CE2 3.72Å; L29-F107 HydrophobicContact CD1-CG 4.13Å; L29-F107 HydrophobicContact CD1-CZ 3.69Å; L29-F107 HydrophobicContact CD2-CB 4.11Å; L29-F107 HydrophobicContact CD2-CD2 3.91Å; L29-F107 HydrophobicContact CD2-CE2 4.48Å; L29-F107 HydrophobicContact CD2-CG 3.94Å; L29-F107 HydrophobicContact CG-CD1 4.47Å; L29-F107 HydrophobicContact CG-CD2 4.47Å; L29-F107 HydrophobicContact CG-CG 4.37Å; L29-E109 CarbonylContact C-O 3.54Å; L29-E109 VanDerWaalsContact CA-O 3.28Å; L29-E109 WeakPolarHBondContact CA-O 3.28Å; L29-F110 HydrophobicContact CD2-CB 3.97Å; L29-F110 HydrophobicContact CD2-CD2 3.92Å; L29-F110 HydrophobicContact CD2-CG 4.39Å; L29-F110 HydrophobicContact CG-CD2 4.44Å; L29-I157 HydrophobicContact CD2-CD1 4.24Å |
| 30 | K | 98.2 | Very high | 96.7 | Very high | 54 Ų | 54 | 51 Ų | 51 | 24% | 0.235 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 138.4 | 157.5 | -71.1 | -173 | -173.6 | 155.4 | 0 | 109.2 | Y43 F107 T108 E109 | K30-Y43 HydrophobicContact CG-CD1 4.07Å; K30-Y43 HydrophobicContact CG-CD2 4.42Å; K30-Y43 HydrophobicContact CG-CE1 4.06Å; K30-Y43 HydrophobicContact CG-CE2 4.41Å; K30-Y43 HydrophobicContact CG-CG 4.28Å; K30-F107 WeakPolarHBondContact O-CA 3.48Å; K30-T108 WeakPolarHBondContact CB-OG1 3.17Å; K30-T108 PolarHBondContact O-N 2.97Å; K30-T108 PolarHBondContact O-OG1 3.05Å; K30-E109 HydrophobicContact CB-CB 3.84Å; K30-E109 HydrophobicContact CD-CB 3.98Å; K30-E109 WeakPolarHBondContact CD-OE2 3.32Å; K30-E109 WeakPolarHBondContact CE-OE2 3.45Å; K30-E109 HydrophobicContact CG-CB 4.01Å; K30-E109 PolarHBondContact N-O 2.82Å; K30-E109 VanDerWaalsContact NZ-CD 3.32Å; K30-E109 IonicContact NZ-OE1 3.58Å; K30-E109 PolarHBondContact NZ-OE1 2.85Å; K30-E109 IonicContact NZ-OE2 3.18Å; K30-E109 PolarHBondContact NZ-OE2 3.17Å |
| 31 | V | 97.9 | Very high | 96.4 | Very high | 4 Ų | 4 | 57.8 Ų | 57.8 | 2% | 0.024 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 130.2 | -172 | 174.9 | 0 | 0 | 0 | 0 | 109.8 | D39 T40 V44 L105 E106 F107 | V31-D39 CarbonylContact O-C 3.54Å; V31-D39 WeakPolarHBondContact O-CA 3.43Å; V31-T40 HydrophobicContact CB-CG2 3.92Å; V31-T40 PolarHBondContact N-OG1 2.79Å; V31-T40 VanDerWaalsContact N-OG1 3.1Å; V31-T40 PolarHBondContact O-N 2.87Å; V31-V44 HydrophobicContact CB-CG2 4.5Å; V31-V44 HydrophobicContact CG2-CG2 3.49Å; V31-V44 VanDerWaalsContact CG2-CG2 3.49Å; V31-L105 HydrophobicContact CG1-CB 3.7Å; V31-L105 HydrophobicContact CG1-CD1 4.07Å; V31-L105 HydrophobicContact CG1-CD2 3.98Å; V31-L105 HydrophobicContact CG1-CG 4.13Å; V31-E106 CarbonylContact C-O 3.59Å; V31-E106 WeakPolarHBondContact CA-O 3.48Å; V31-F107 HydrophobicContact CG2-CD1 3.94Å; V31-F107 HydrophobicContact CG2-CE1 4.15Å |
| 32 | K | 97.9 | Very high | 96.4 | Very high | 59 Ų | 59 | 60.6 Ų | 60.6 | 26% | 0.257 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 131.5 | 168.9 | -176.2 | 168.5 | -73.5 | 166.2 | 0 | 111 | G34 G37 D39 L105 E106 T108 | K32-G34 PolarHBondContact O-N 2.91Å; K32-G37 WeakPolarHBondContact CG-O 3.32Å; K32-D39 WeakPolarHBondContact CB-OD1 3.49Å; K32-D39 WeakPolarHBondContact CE-OD1 3.26Å; K32-D39 WeakPolarHBondContact CE-OD2 3.48Å; K32-D39 IonicContact NZ-OD2 3.76Å; K32-L105 VanDerWaalsContact O-CA 3.27Å; K32-L105 WeakPolarHBondContact O-CA 3.46Å; K32-E106 HydrophobicContact CB-CG 3.88Å; K32-E106 HydrophobicContact CD-CG 4.47Å; K32-E106 HydrophobicContact CG-CG 4.43Å; K32-E106 PolarHBondContact N-O 3.08Å; K32-E106 PolarHBondContact O-N 2.92Å; K32-T108 HydrophobicContact CB-CG2 3.79Å; K32-T108 HydrophobicContact CD-CG2 4.35Å |
| 33 | C | 98.1 | Very high | 96.6 | Very high | 10 Ų | 10 | 60.8 Ų | 60.8 | 7% | 0.068 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 120.6 | 173.3 | -177.2 | 0 | 0 | 0 | 0 | 110.5 | N35 G37 E38 C67 | C33-N35 PolarHBondContact O-N 3.42Å; C33-N35 VanDerWaalsContact O-N 3.08Å; C33-G37 VanDerWaalsContact O-CA 3.23Å; C33-G37 WeakPolarHBondContact O-CA 3.08Å; C33-G37 PolarHBondContact O-N 2.95Å; C33-E38 WeakPolarHBondContact CB-O 3.48Å; C33-E38 PolarHBondContact N-O 2.87Å; C33-C67 HydrophobicContact CB-CB 4.28Å |
| 34 | G | 95.9 | Very high | 96.9 | Very high | 61 Ų | 61 | 55.9 Ų | 55.9 | 63% | 0.629 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | -2.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | K32 G104 | K32-G34 PolarHBondContact O-N 2.91Å; G34-G104 WeakPolarHBondContact CA-O 3.38Å; G34-G104 PolarHBondContact N-O 3.24Å |
| 35 | N | 96.9 | Very high | 97.1 | Very high | 86 Ų | 86 | 55.5 Ų | 55.5 | 46% | 0.46 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.1 | -48.5 | 178.7 | -177.1 | 100.1 | 0 | 0 | 0 | 113.2 | C33 R72 | C33-N35 PolarHBondContact O-N 3.42Å; C33-N35 VanDerWaalsContact O-N 3.08Å; N35-R72 WeakPolarHBondContact OD1-CD 3.36Å; N35-R72 PolarHBondContact OD1-NH1 2.88Å |
| 36 | C | 97.9 | Very high | 97.2 | Very high | 48 Ų | 48 | 55.1 Ų | 55.1 | 32% | 0.324 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.9 | -4.7 | -179.7 | 67.1 | 0 | 0 | 0 | 0 | 114.2 | E38 F69 C70 | C36-E38 PolarHBondContact O-N 3Å; C36-F69 HydrophobicContact CB-CD1 4.11Å; C36-C70 HydrophobicContact CB-CB 3.94Å |
| 37 | G | 96.6 | Very high | 97.2 | Very high | 38 Ų | 38 | 50.5 Ų | 50.5 | 39% | 0.392 | 27% | 0.273 | S | S | . | . | trans | 78 | 0.5 | -180 | 0 | 0 | 0 | 0 | 0 | 115.2 | K32 C33 | K32-G37 WeakPolarHBondContact CG-O 3.32Å; C33-G37 VanDerWaalsContact O-CA 3.23Å; C33-G37 WeakPolarHBondContact O-CA 3.08Å; C33-G37 PolarHBondContact O-N 2.95Å | ||
| 38 | E | 97.6 | Very high | 97 | Very high | 106 Ų | 106 | 51.9 Ų | 51.9 | 50% | 0.495 | 29% | 0.288 | S | S | . | . | P | Polyproline II helix | trans | -71.6 | 131.1 | -178.9 | -169.4 | 65 | -161.8 | 0 | 0 | 111.3 | C33 C36 F69 | C33-E38 WeakPolarHBondContact CB-O 3.48Å; C33-E38 PolarHBondContact N-O 2.87Å; C36-E38 PolarHBondContact O-N 3Å; E38-F69 HydrophobicContact CB-CB 4.34Å; E38-F69 HydrophobicContact CG-CB 4.24Å |
| 39 | D | 96 | Very high | 96.9 | Very high | 65 Ų | 65 | 55.2 Ų | 55.2 | 35% | 0.348 | 31% | 0.308 | S | S | . | . | B | Isolated β-bridge | trans | -83.9 | 153.2 | 173.9 | -73.1 | -78.4 | 0 | 0 | 0 | 111.9 | V31 K32 T108 | V31-D39 CarbonylContact O-C 3.54Å; V31-D39 WeakPolarHBondContact O-CA 3.43Å; K32-D39 WeakPolarHBondContact CB-OD1 3.49Å; K32-D39 WeakPolarHBondContact CE-OD1 3.26Å; K32-D39 WeakPolarHBondContact CE-OD2 3.48Å; K32-D39 IonicContact NZ-OD2 3.76Å; D39-T108 VanDerWaalsContact OD1-CG2 3.28Å; D39-T108 WeakPolarHBondContact OD1-CG2 3.38Å; D39-T108 PolarHBondContact OD1-OG1 2.85Å |
| 40 | T | 95.5 | Very high | 96.8 | Very high | 32 Ų | 32 | 58.4 Ų | 58.4 | 20% | 0.196 | 32% | 0.323 | C | S | . | . | P | Polyproline II helix | trans | -67.4 | 137.7 | 167.8 | 53.8 | 0 | 0 | 0 | 0 | 110.3 | V31 D42 V44 I65 | V31-T40 HydrophobicContact CB-CG2 3.92Å; V31-T40 PolarHBondContact N-OG1 2.79Å; V31-T40 VanDerWaalsContact N-OG1 3.1Å; V31-T40 PolarHBondContact O-N 2.87Å; T40-D42 VanDerWaalsContact CB-O 3.23Å; T40-D42 WeakPolarHBondContact CB-O 3.47Å; T40-D42 PolarHBondContact OG1-O 3.03Å; T40-V44 HydrophobicContact CG2-CG1 4.33Å; T40-I65 HydrophobicContact CG2-CD1 3.74Å |
| 41 | H | 91.8 | Very high | 96.8 | Very high | 163 Ų | 163 | 62.9 Ų | 62.9 | 76% | 0.755 | 34% | 0.343 | S | S | * | . | S | Bend | trans | -61.9 | -45.9 | 176.5 | -177.6 | 63.9 | 0 | 0 | 0 | 111.7 | ||
| 42 | D | 95.6 | Very high | 96.7 | Very high | 104 Ų | 104 | 65.2 Ų | 65.2 | 56% | 0.556 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -109.1 | 166.6 | 177.3 | -60.1 | -61.1 | 0 | 0 | 0 | 110.8 | T40 | T40-D42 VanDerWaalsContact CB-O 3.23Å; T40-D42 WeakPolarHBondContact CB-O 3.47Å; T40-D42 PolarHBondContact OG1-O 3.03Å |
| 43 | Y | 97.8 | Very high | 96.7 | Very high | 61 Ų | 61 | 67.5 Ų | 67.5 | 24% | 0.239 | 38% | 0.377 | C | S | . | . | trans | -63.6 | 135.8 | 165 | -73.6 | -93.1 | 0 | 0 | 0 | 110.6 | K30 E109 | K30-Y43 HydrophobicContact CG-CD1 4.07Å; K30-Y43 HydrophobicContact CG-CD2 4.42Å; K30-Y43 HydrophobicContact CG-CE1 4.06Å; K30-Y43 HydrophobicContact CG-CE2 4.41Å; K30-Y43 HydrophobicContact CG-CG 4.28Å; Y43-E109 HydrophobicContact CE1-CB 4.44Å; Y43-E109 HydrophobicContact CE1-CG 4.41Å; Y43-E109 VanDerWaalsContact OH-CD 3.31Å; Y43-E109 PolarHBondContact OH-OE1 3.1Å | ||
| 44 | V | 97.8 | Very high | 96.5 | Very high | 34 Ų | 34 | 68.3 Ų | 68.3 | 21% | 0.206 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 170 | 161.3 | -59.4 | 0 | 0 | 0 | 0 | 108.7 | Y28 L29 V31 T40 L63 I65 | Y28-V44 CarbonylContact C-O 3.53Å; Y28-V44 VanDerWaalsContact CA-O 3.26Å; Y28-V44 WeakPolarHBondContact CA-O 3.35Å; L29-V44 PolarHBondContact N-O 3.3Å; L29-V44 WeakPolarHBondContact O-CG2 3.43Å; L29-V44 PolarHBondContact O-N 2.71Å; V31-V44 HydrophobicContact CB-CG2 4.5Å; V31-V44 HydrophobicContact CG2-CG2 3.49Å; V31-V44 VanDerWaalsContact CG2-CG2 3.49Å; T40-V44 HydrophobicContact CG2-CG1 4.33Å; V44-L63 HydrophobicContact CG2-CD2 4.06Å; V44-I65 HydrophobicContact CG1-CD1 3.91Å |
| 45 | Y | 98.1 | Very high | 96.2 | Very high | 79 Ų | 79 | 70.8 Ų | 70.8 | 31% | 0.31 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 158.2 | 171.9 | 64 | -91.5 | 0 | 0 | 0 | 111.7 | R26 W27 Y28 D47 | R26-Y45 HydrophobicContact CB-CD2 4.2Å; R26-Y45 HydrophobicContact CB-CG 4.2Å; R26-Y45 HydrophobicContact CG-CD2 3.73Å; R26-Y45 HydrophobicContact CG-CE2 4.22Å; R26-Y45 HydrophobicContact CG-CG 4.12Å; W27-Y45 VanDerWaalsContact O-CA 3.28Å; W27-Y45 WeakPolarHBondContact O-CA 3.15Å; Y28-Y45 AromaticContact CE1-CD1 3.97Å; Y28-Y45 HydrophobicContact CE1-CD1 3.97Å; Y28-Y45 HydrophobicContact CE1-CG 4.24Å; Y45-D47 HydrophobicContact CD2-CB 4.42Å; Y45-D47 HydrophobicContact CE2-CB 4.5Å |
| 46 | I | 98.2 | Very high | 95.7 | Very high | 0 Ų | 0 | 74.2 Ų | 74.2 | 0% | 0 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 127.1 | 167 | -50.7 | -175.6 | 0 | 0 | 0 | 106.8 | W27 L29 N62 L63 A76 I78 F100 F107 | W27-I46 HydrophobicContact CB-CB 4.45Å; W27-I46 PolarHBondContact N-O 2.89Å; W27-I46 PolarHBondContact O-N 3Å; W27-I46 VanDerWaalsContact O-N 3.08Å; L29-I46 HydrophobicContact CD1-CD1 3.73Å; L29-I46 HydrophobicContact CD1-CG1 4.04Å; I46-N62 HydrophobicContact CG2-CB 3.46Å; I46-N62 VanDerWaalsContact CG2-CB 3.46Å; I46-L63 HydrophobicContact CD1-CB 4.23Å; I46-L63 HydrophobicContact CD1-CD2 3.97Å; I46-L63 HydrophobicContact CG1-CB 3.86Å; I46-L63 HydrophobicContact CG1-CD2 3.77Å; I46-L63 HydrophobicContact CG1-CG 4.39Å; I46-L63 HydrophobicContact CG2-CB 4.37Å; I46-A76 HydrophobicContact CD1-CB 3.72Å; I46-I78 HydrophobicContact CB-CD1 4.46Å; I46-I78 HydrophobicContact CG2-CD1 3.86Å; I46-I78 HydrophobicContact CG2-CG1 3.92Å; I46-F100 HydrophobicContact CB-CE1 4.36Å; I46-F100 HydrophobicContact CD1-CD1 3.85Å; I46-F100 HydrophobicContact CD1-CE1 3.95Å; I46-F100 HydrophobicContact CG2-CE1 4.5Å; I46-F107 HydrophobicContact CD1-CE1 3.98Å; I46-F107 HydrophobicContact CD1-CE2 4.46Å; I46-F107 HydrophobicContact CD1-CZ 3.52Å |
| 47 | D | 97.2 | Very high | 95.4 | Very high | 12 Ų | 12 | 75.2 Ų | 75.2 | 6% | 0.064 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 129 | 172.4 | 177 | -24.6 | 0 | 0 | 0 | 107.8 | Y45 L49 E50 N62 | Y45-D47 HydrophobicContact CD2-CB 4.42Å; Y45-D47 HydrophobicContact CE2-CB 4.5Å; D47-L49 PolarHBondContact O-N 2.82Å; D47-L49 WeakPolarHBondContact OD1-CB 3.28Å; D47-L49 PolarHBondContact OD1-N 2.81Å; D47-E50 HydrophobicContact CB-CB 4.12Å; D47-E50 HydrophobicContact CB-CG 3.8Å; D47-E50 PolarHBondContact O-N 2.92Å; D47-N62 WeakPolarHBondContact O-CB 3.05Å; D47-N62 PolarHBondContact O-ND2 2.93Å |
| 48 | G | 95.5 | Very high | 94.9 | Very high | 32 Ų | 32 | 85.7 Ų | 85.7 | 33% | 0.33 | 43% | 0.43 | S | S | . | . | S | Bend | trans | -67.6 | -20.9 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | N62 | G48-N62 PolarHBondContact O-ND2 3.42Š|
| 49 | L | 96 | Very high | 94.7 | Very high | 111 Ų | 111 | 82.2 Ų | 82.2 | 58% | 0.581 | 42% | 0.423 | S | S | * | . | S | Bend | trans | -90.8 | -21 | 178.5 | -62.1 | -174.7 | 0 | 0 | 0 | 112.8 | D23 D24 D47 | D23-L49 HydrophobicContact CB-CD1 3.93Å; D23-L49 HydrophobicContact CB-CD2 4.32Å; D23-L49 HydrophobicContact CB-CG 4.25Å; D24-L49 HydrophobicContact CB-CD1 4.07Å; D47-L49 PolarHBondContact O-N 2.82Å; D47-L49 WeakPolarHBondContact OD1-CB 3.28Å; D47-L49 PolarHBondContact OD1-N 2.81Å |
| 50 | E | 97.2 | Very high | 94.8 | Very high | 67 Ų | 67 | 83 Ų | 83 | 31% | 0.313 | 43% | 0.426 | S | S | . | . | trans | -69 | 142 | 177.1 | -75.7 | -172.1 | -176.6 | 0 | 0 | 111.8 | D47 N62 | D47-E50 HydrophobicContact CB-CB 4.12Å; D47-E50 HydrophobicContact CB-CG 3.8Å; D47-E50 PolarHBondContact O-N 2.92Å; E50-N62 WeakPolarHBondContact O-CA 3.15Å; E50-N62 PolarHBondContact O-ND2 2.94Å | ||
| 51 | K | 96.4 | Very high | 94.9 | Very high | 149 Ų | 149 | 81.5 Ų | 81.5 | 65% | 0.648 | 42% | 0.417 | S | S | * | . | trans | -134.7 | 101.6 | 178.1 | -70.7 | -179.5 | 171.4 | -158.3 | 0 | 109.6 | D60 | K51-D60 HydrophobicContact CB-CB 4.01Å; K51-D60 WeakPolarHBondContact CD-OD2 3.31Å | ||
| 52 | T | 97.7 | Very high | 95.2 | Very high | 52 Ų | 52 | 74.5 Ų | 74.5 | 32% | 0.319 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 124.7 | 179 | -60.6 | 0 | 0 | 0 | 0 | 110 | I54 D60 A61 V64 | T52-I54 PolarHBondContact O-N 2.85Å; T52-D60 CarbonylContact O-C 3.6Å; T52-D60 WeakPolarHBondContact O-CA 3.42Å; T52-A61 PolarHBondContact N-O 2.93Å; T52-A61 PolarHBondContact O-N 2.87Å; T52-V64 HydrophobicContact CG2-CB 3.78Å; T52-V64 HydrophobicContact CG2-CG2 3.79Å; T52-V64 WeakPolarHBondContact O-CG2 3.33Å |
| 53 | P | 96.6 | Very high | 95.3 | Very high | 107 Ų | 107 | 70.5 Ų | 70.5 | 70% | 0.695 | 36% | 0.364 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -58.9 | 133.7 | 177.8 | -25.2 | 34.2 | 0 | 0 | 0 | 112.6 | ||
| 54 | I | 94.5 | Very high | 95.3 | Very high | 27 Ų | 27 | 69.5 Ų | 69.5 | 14% | 0.138 | 36% | 0.364 | C | S | . | . | P | Polyproline II helix | trans | -85.6 | 124.2 | 173.8 | -58.6 | 164 | 0 | 0 | 0 | 108.5 | T52 D56 S57 G59 A61 V64 N75 | T52-I54 PolarHBondContact O-N 2.85Å; I54-D56 PolarHBondContact O-N 2.85Å; I54-S57 WeakPolarHBondContact O-CB 3.23Å; I54-S57 PolarHBondContact O-N 2.95Å; I54-S57 VanDerWaalsContact O-N 3.13Å; I54-G59 PolarHBondContact N-O 2.87Å; I54-A61 HydrophobicContact CD1-CB 3.96Å; I54-A61 HydrophobicContact CG1-CB 4.09Å; I54-V64 HydrophobicContact CG1-CG2 3.87Å; I54-N75 HydrophobicContact CD1-CB 4.45Å; I54-N75 HydrophobicContact CG1-CB 4.47Å |
| 55 | Q | 89.3 | Confident | 95.2 | Very high | 113 Ų | 113 | 69.4 Ų | 69.4 | 53% | 0.528 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | 135.5 | 177.2 | -170.1 | -178.9 | -3.5 | 0 | 0 | 111.3 | S57 | Q55-S57 PolarHBondContact O-N 2.8Š|
| 56 | D | 87 | Confident | 95.1 | Very high | 159 Ų | 159 | 71.8 Ų | 71.8 | 85% | 0.85 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.6 | 20 | -179.5 | -51.2 | -44.5 | 0 | 0 | 0 | 114.7 | I54 | I54-D56 PolarHBondContact O-N 2.85Š|
| 57 | S | 90.6 | Very high | 95.1 | Very high | 69 Ų | 69 | 72.6 Ų | 72.6 | 48% | 0.483 | 38% | 0.376 | S | S | . | . | S | Bend | trans | -125.4 | 160.5 | 174.5 | -179.9 | 0 | 0 | 0 | 0 | 110.3 | I54 Q55 G59 | I54-S57 WeakPolarHBondContact O-CB 3.23Å; I54-S57 PolarHBondContact O-N 2.95Å; I54-S57 VanDerWaalsContact O-N 3.13Å; Q55-S57 PolarHBondContact O-N 2.8Å; S57-G59 PolarHBondContact OG-N 3.43Å |
| 58 | R | 87.5 | Confident | 95 | Very high | 258 Ų | 258 | 80.6 Ų | 80.6 | 97% | 0.974 | 41% | 0.41 | S | S | * | . | S | Bend | trans | -89 | -5 | 171.5 | -65.6 | -176.7 | -65.7 | 170.4 | 0.9 | 113 | ||
| 59 | G | 92.6 | Very high | 95 | Very high | 33 Ų | 33 | 86.3 Ų | 86.3 | 34% | 0.34 | 43% | 0.426 | S | S | . | . | trans | -97.3 | 160.9 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | I54 S57 | I54-G59 PolarHBondContact N-O 2.87Å; S57-G59 PolarHBondContact OG-N 3.43Å | ||
| 60 | D | 96.9 | Very high | 95.1 | Very high | 80 Ų | 80 | 83 Ų | 83 | 43% | 0.428 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 167.9 | 164.7 | 47.5 | 28.4 | 0 | 0 | 0 | 110.3 | K51 T52 | K51-D60 HydrophobicContact CB-CB 4.01Å; K51-D60 WeakPolarHBondContact CD-OD2 3.31Å; T52-D60 CarbonylContact O-C 3.6Å; T52-D60 WeakPolarHBondContact O-CA 3.42Å |
| 61 | A | 97.8 | Very high | 95 | Very high | 1 Ų | 1 | 86 Ų | 86 | 1% | 0.008 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 157.6 | 165.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | T52 I54 L63 V64 N75 D77 | T52-A61 PolarHBondContact N-O 2.93Å; T52-A61 PolarHBondContact O-N 2.87Å; I54-A61 HydrophobicContact CD1-CB 3.96Å; I54-A61 HydrophobicContact CG1-CB 4.09Å; A61-L63 VanDerWaalsContact C-N 3.29Å; A61-L63 PolarHBondContact O-N 2.9Å; A61-V64 HydrophobicContact CB-CG2 4.11Å; A61-N75 HydrophobicContact CB-CB 3.77Å; A61-D77 WeakPolarHBondContact CA-OD1 3.42Å; A61-D77 WeakPolarHBondContact CB-OD1 3.33Å |
| 62 | N | 98 | Very high | 95 | Very high | 16 Ų | 16 | 85.6 Ų | 85.6 | 9% | 0.086 | 42% | 0.418 | C | S | . | . | S | Bend | trans | -62.6 | -36.4 | 175 | -62.5 | 138.6 | 0 | 0 | 0 | 112.4 | I46 D47 G48 E50 D77 I78 | I46-N62 HydrophobicContact CG2-CB 3.46Å; I46-N62 VanDerWaalsContact CG2-CB 3.46Å; D47-N62 WeakPolarHBondContact O-CB 3.05Å; D47-N62 PolarHBondContact O-ND2 2.93Å; G48-N62 PolarHBondContact O-ND2 3.42Å; E50-N62 WeakPolarHBondContact O-CA 3.15Å; E50-N62 PolarHBondContact O-ND2 2.94Å; N62-D77 PolarHBondContact N-OD1 3.3Å; N62-D77 WeakPolarHBondContact OD1-CA 3.46Å; N62-I78 PolarHBondContact OD1-N 2.88Å |
| 63 | L | 98 | Very high | 94.9 | Very high | 21 Ų | 21 | 85 Ų | 85 | 11% | 0.11 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 128.4 | 173.1 | 173 | 66.7 | 0 | 0 | 0 | 110.3 | V44 I46 A61 I65 N75 A76 | V44-L63 HydrophobicContact CG2-CD2 4.06Å; I46-L63 HydrophobicContact CD1-CB 4.23Å; I46-L63 HydrophobicContact CD1-CD2 3.97Å; I46-L63 HydrophobicContact CG1-CB 3.86Å; I46-L63 HydrophobicContact CG1-CD2 3.77Å; I46-L63 HydrophobicContact CG1-CG 4.39Å; I46-L63 HydrophobicContact CG2-CB 4.37Å; A61-L63 VanDerWaalsContact C-N 3.29Å; A61-L63 PolarHBondContact O-N 2.9Å; L63-I65 HydrophobicContact CD1-CB 4.38Å; L63-I65 HydrophobicContact CG-CB 4.47Å; L63-N75 CarbonylContact O-C 3.55Å; L63-N75 WeakPolarHBondContact O-CA 3.28Å; L63-N75 WeakPolarHBondContact O-CB 3.46Å; L63-A76 PolarHBondContact N-O 3.3Å; L63-A76 PolarHBondContact O-N 2.82Å |
| 64 | V | 97.8 | Very high | 94.9 | Very high | 39 Ų | 39 | 80.1 Ų | 80.1 | 24% | 0.236 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 117.7 | 165.4 | -178.9 | 0 | 0 | 0 | 0 | 108.5 | T52 I54 A61 V73 N75 | T52-V64 HydrophobicContact CG2-CB 3.78Å; T52-V64 HydrophobicContact CG2-CG2 3.79Å; T52-V64 WeakPolarHBondContact O-CG2 3.33Å; I54-V64 HydrophobicContact CG1-CG2 3.87Å; A61-V64 HydrophobicContact CB-CG2 4.11Å; V64-V73 HydrophobicContact CG1-CG1 3.56Å; V64-N75 HydrophobicContact CG2-CB 4.27Å |
| 65 | I | 96.6 | Very high | 95.1 | Very high | 32 Ų | 32 | 79.6 Ų | 79.6 | 16% | 0.164 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 136.3 | -175.7 | -168 | 172.9 | 0 | 0 | 0 | 111.4 | T40 V44 L63 V73 S74 L105 | T40-I65 HydrophobicContact CG2-CD1 3.74Å; V44-I65 HydrophobicContact CG1-CD1 3.91Å; L63-I65 HydrophobicContact CD1-CB 4.38Å; L63-I65 HydrophobicContact CG-CB 4.47Å; I65-V73 CarbonylContact O-C 3.49Å; I65-V73 WeakPolarHBondContact O-CA 3.46Å; I65-S74 PolarHBondContact N-O 3.34Å; I65-S74 PolarHBondContact O-N 3.02Å; I65-L105 HydrophobicContact CG2-CD2 3.73Å |
| 66 | R | 96.1 | Very high | 95.5 | Very high | 130 Ų | 130 | 74.2 Ų | 74.2 | 49% | 0.491 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 123 | 173.2 | -173.1 | 180 | -63.8 | -84.4 | 2.7 | 109.9 | K68 K71 V73 | R66-K68 PolarHBondContact O-N 2.74Å; R66-K71 WeakPolarHBondContact CG-O 3.34Å; R66-K71 PolarHBondContact NH1-O 2.88Å; R66-V73 HydrophobicContact CB-CG2 4.33Å; R66-V73 HydrophobicContact CG-CG2 4.21Å; R66-V73 VanDerWaalsContact NH1-CG2 3.29Å |
| 67 | C | 97.1 | Very high | 96 | Very high | 17 Ų | 17 | 68.2 Ų | 68.2 | 12% | 0.115 | 32% | 0.324 | C | S | . | . | trans | -60 | 126.7 | 175.3 | 178.2 | 0 | 0 | 0 | 0 | 110.6 | C33 F69 C70 K71 R72 | C33-C67 HydrophobicContact CB-CB 4.28Å; C67-F69 PolarHBondContact O-N 3.18Å; C67-F69 PolarHBondContact SG-N 3.26Å; C67-F69 VanDerWaalsContact SG-N 3.43Å; C67-C70 PolarHBondContact SG-N 3.42Å; C67-C70 VanDerWaalsContact SG-SG 3.68Å; C67-K71 WeakPolarHBondContact O-CA 3.48Å; C67-K71 PolarHBondContact O-N 3.07Å; C67-K71 VanDerWaalsContact O-N 3.08Å; C67-R72 PolarHBondContact N-O 3.22Å | ||
| 68 | K | 95.1 | Very high | 96.3 | Very high | 180 Ų | 180 | 65.6 Ų | 65.6 | 78% | 0.783 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -25.7 | 179.1 | -68.7 | -176.8 | -179.5 | 175.6 | 0 | 112.6 | R66 K71 | R66-K68 PolarHBondContact O-N 2.74Å; K68-K71 PolarHBondContact O-NZ 3.1Å |
| 69 | F | 95.9 | Very high | 96.8 | Very high | 152 Ų | 152 | 55.7 Ų | 55.7 | 67% | 0.667 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.4 | -73 | -179.5 | -167.9 | -99.3 | 0 | 0 | 0 | 112.3 | C36 E38 C67 K71 | C36-F69 HydrophobicContact CB-CD1 4.11Å; E38-F69 HydrophobicContact CB-CB 4.34Å; E38-F69 HydrophobicContact CG-CB 4.24Å; C67-F69 PolarHBondContact O-N 3.18Å; C67-F69 PolarHBondContact SG-N 3.26Å; C67-F69 VanDerWaalsContact SG-N 3.43Å; F69-K71 VanDerWaalsContact C-N 3.34Å; F69-K71 PolarHBondContact O-N 2.66Å |
| 70 | C | 97.7 | Very high | 96.9 | Very high | 42 Ų | 42 | 60 Ų | 60 | 28% | 0.284 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | 1.1 | -174.7 | 71.9 | 0 | 0 | 0 | 0 | 115 | C36 C67 R72 | C36-C70 HydrophobicContact CB-CB 3.94Å; C67-C70 PolarHBondContact SG-N 3.42Å; C67-C70 VanDerWaalsContact SG-SG 3.68Å; C70-R72 PolarHBondContact O-N 2.95Å |
| 71 | K | 96.4 | Very high | 96.7 | Very high | 129 Ų | 129 | 60 Ų | 60 | 56% | 0.561 | 31% | 0.311 | S | S | * | . | trans | 62.1 | 1.8 | 179.1 | -47.9 | -53.8 | -177.1 | -171.4 | 0 | 116.2 | R66 C67 K68 F69 | R66-K71 WeakPolarHBondContact CG-O 3.34Å; R66-K71 PolarHBondContact NH1-O 2.88Å; C67-K71 WeakPolarHBondContact O-CA 3.48Å; C67-K71 PolarHBondContact O-N 3.07Å; C67-K71 VanDerWaalsContact O-N 3.08Å; K68-K71 PolarHBondContact O-NZ 3.1Å; F69-K71 VanDerWaalsContact C-N 3.34Å; F69-K71 PolarHBondContact O-N 2.66Å | ||
| 72 | R | 96 | Very high | 96.7 | Very high | 140 Ų | 140 | 60.4 Ų | 60.4 | 53% | 0.528 | 31% | 0.314 | S | S | . | . | trans | -63.9 | 137.1 | 176 | -165.9 | 167.1 | -171.9 | 131.3 | 5.4 | 110.5 | N35 C67 C70 | N35-R72 WeakPolarHBondContact OD1-CD 3.36Å; N35-R72 PolarHBondContact OD1-NH1 2.88Å; C67-R72 PolarHBondContact N-O 3.22Å; C70-R72 PolarHBondContact O-N 2.95Å | ||
| 73 | V | 95.9 | Very high | 96.7 | Very high | 40 Ų | 40 | 63.2 Ų | 63.2 | 24% | 0.242 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 136.7 | 174.5 | -177 | 0 | 0 | 0 | 0 | 108.7 | V64 I65 R66 | V64-V73 HydrophobicContact CG1-CG1 3.56Å; I65-V73 CarbonylContact O-C 3.49Å; I65-V73 WeakPolarHBondContact O-CA 3.46Å; R66-V73 HydrophobicContact CB-CG2 4.33Å; R66-V73 HydrophobicContact CG-CG2 4.21Å; R66-V73 VanDerWaalsContact NH1-CG2 3.29Å |
| 74 | S | 96.3 | Very high | 96.7 | Very high | 5 Ų | 5 | 66 Ų | 66 | 4% | 0.035 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 160.6 | 177.6 | -61 | 0 | 0 | 0 | 0 | 108.6 | I65 R103 G104 | I65-S74 PolarHBondContact N-O 3.34Å; I65-S74 PolarHBondContact O-N 3.02Å; S74-R103 VanDerWaalsContact CA-O 3.3Å; S74-R103 WeakPolarHBondContact CA-O 3.28Å; S74-R103 WeakPolarHBondContact CB-O 3.44Å; S74-G104 VanDerWaalsContact OG-C 3.28Å; S74-G104 PolarHBondContact OG-O 2.89Å |
| 75 | N | 97.6 | Very high | 96.7 | Very high | 15 Ų | 15 | 66.6 Ų | 66.6 | 8% | 0.08 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 161.3 | 179 | 57.3 | 71.5 | 0 | 0 | 0 | 112 | I54 A61 L63 V64 R103 | I54-N75 HydrophobicContact CD1-CB 4.45Å; I54-N75 HydrophobicContact CG1-CB 4.47Å; A61-N75 HydrophobicContact CB-CB 3.77Å; L63-N75 CarbonylContact O-C 3.55Å; L63-N75 WeakPolarHBondContact O-CA 3.28Å; L63-N75 WeakPolarHBondContact O-CB 3.46Å; V64-N75 HydrophobicContact CG2-CB 4.27Å; N75-R103 PolarHBondContact N-O 3.48Å; N75-R103 PolarHBondContact O-N 2.81Å; N75-R103 WeakPolarHBondContact OD1-CB 3.37Å; N75-R103 WeakPolarHBondContact OD1-CD 3.5Å |
| 76 | A | 98.2 | Very high | 96.8 | Very high | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 146 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | I46 L63 D101 L105 F107 | I46-A76 HydrophobicContact CD1-CB 3.72Å; L63-A76 PolarHBondContact N-O 3.3Å; L63-A76 PolarHBondContact O-N 2.82Å; A76-D101 CarbonylContact C-O 3.59Å; A76-D101 VanDerWaalsContact CA-O 3.25Å; A76-D101 WeakPolarHBondContact CA-O 3.15Å; A76-L105 HydrophobicContact CB-CD1 4.25Å; A76-L105 HydrophobicContact CB-CD2 4.35Å; A76-F107 HydrophobicContact CB-CE1 4.32Å; A76-F107 HydrophobicContact CB-CZ 3.95Å |
| 77 | D | 98 | Very high | 96.9 | Very high | 34 Ų | 34 | 60 Ų | 60 | 18% | 0.182 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 142.5 | 177.5 | -67.9 | -62.4 | 0 | 0 | 0 | 110.2 | A61 N62 F100 D101 R103 | A61-D77 WeakPolarHBondContact CA-OD1 3.42Å; A61-D77 WeakPolarHBondContact CB-OD1 3.33Å; N62-D77 PolarHBondContact N-OD1 3.3Å; N62-D77 WeakPolarHBondContact OD1-CA 3.46Å; D77-F100 CarbonylContact O-C 3.55Å; D77-F100 WeakPolarHBondContact O-CA 3.46Å; D77-D101 PolarHBondContact N-O 3.4Å; D77-D101 PolarHBondContact O-N 3.01Å; D77-R103 IonicContact OD2-NH1 3.51Å |
| 78 | I | 97.6 | Very high | 97 | Very high | 14 Ų | 14 | 62.1 Ų | 62.1 | 7% | 0.072 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 129.7 | 164.8 | -66.8 | 159.4 | 0 | 0 | 0 | 107.3 | W27 I46 N62 P80 I83 F100 | W27-I78 VanDerWaalsContact CD1-CD1 3.47Å; W27-I78 HydrophobicContact CG-CD1 4.38Å; I46-I78 HydrophobicContact CB-CD1 4.46Å; I46-I78 HydrophobicContact CG2-CD1 3.86Å; I46-I78 HydrophobicContact CG2-CG1 3.92Å; N62-I78 PolarHBondContact OD1-N 2.88Å; I78-P80 VanDerWaalsContact O-CD 3.3Å; I78-P80 WeakPolarHBondContact O-CD 3.16Å; I78-I83 HydrophobicContact CG2-CD1 4.37Å; I78-I83 HydrophobicContact CG2-CG1 4.33Å; I78-F100 HydrophobicContact CB-CE1 4.49Å; I78-F100 HydrophobicContact CD1-CE1 4.16Å; I78-F100 HydrophobicContact CG1-CD1 3.7Å; I78-F100 HydrophobicContact CG1-CE1 3.33Å; I78-F100 HydrophobicContact CG1-CZ 4.15Å |
| 79 | I | 96.6 | Very high | 97.1 | Very high | 50 Ų | 50 | 60.7 Ų | 60.7 | 26% | 0.256 | 33% | 0.334 | S | S | . | . | P | Polyproline II helix | trans | -71 | 122.5 | 177.5 | -59.6 | 179.2 | 0 | 0 | 0 | 108.1 | L3 G81 S82 K99 D101 | L3-I79 HydrophobicContact CD2-CD1 3.83Å; I79-G81 PolarHBondContact O-N 2.89Å; I79-S82 WeakPolarHBondContact O-CB 3.3Å; I79-S82 PolarHBondContact O-N 2.92Å; I79-S82 VanDerWaalsContact O-N 3.07Å; I79-S82 PolarHBondContact O-OG 3.28Å; I79-K99 HydrophobicContact CB-CB 4.25Å; I79-K99 HydrophobicContact CD1-CB 3.68Å; I79-K99 HydrophobicContact CG1-CB 4.2Å; I79-K99 PolarHBondContact N-O 2.81Å; I79-D101 HydrophobicContact CG1-CB 4.46Å |
| 80 | P | 94.3 | Very high | 97.3 | Very high | 123 Ų | 123 | 55.1 Ų | 55.1 | 80% | 0.799 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | 136.5 | 179.8 | -27.6 | 36.1 | 0 | 0 | 0 | 112.3 | I78 S82 | I78-P80 VanDerWaalsContact O-CD 3.3Å; I78-P80 WeakPolarHBondContact O-CD 3.16Å; P80-S82 PolarHBondContact O-N 3.44Å |
| 81 | G | 94.4 | Very high | 97.3 | Very high | 81 Ų | 81 | 54.8 Ų | 54.8 | 84% | 0.835 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.1 | 10.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115 | I79 | I79-G81 PolarHBondContact O-N 2.89Š|
| 82 | S | 96.5 | Very high | 97.4 | Very high | 9 Ų | 9 | 50.3 Ų | 50.3 | 6% | 0.063 | 30% | 0.301 | C | S | . | . | trans | -90.7 | -9.5 | 178.1 | 74.9 | 0 | 0 | 0 | 0 | 114.6 | I79 P80 L84 K99 | I79-S82 WeakPolarHBondContact O-CB 3.3Å; I79-S82 PolarHBondContact O-N 2.92Å; I79-S82 VanDerWaalsContact O-N 3.07Å; I79-S82 PolarHBondContact O-OG 3.28Å; P80-S82 PolarHBondContact O-N 3.44Å; S82-L84 PolarHBondContact O-N 2.93Å; S82-K99 PolarHBondContact OG-N 3.07Å; S82-K99 VanDerWaalsContact OG-N 3.1Å; S82-K99 PolarHBondContact OG-O 2.81Å | ||
| 83 | I | 97.9 | Very high | 97.5 | Very high | 75 Ų | 75 | 49.9 Ų | 49.9 | 39% | 0.385 | 30% | 0.304 | S | S | . | . | trans | -73.2 | 120.6 | 175.2 | -59.4 | 176.4 | 0 | 0 | 0 | 108.1 | P20 W27 I78 I97 | P20-I83 HydrophobicContact CG-CG2 4.12Å; W27-I83 HydrophobicContact CZ2-CD1 4.18Å; W27-I83 HydrophobicContact CZ2-CG1 4.15Å; W27-I83 HydrophobicContact CZ2-CG2 4.37Å; I78-I83 HydrophobicContact CG2-CD1 4.37Å; I78-I83 HydrophobicContact CG2-CG1 4.33Å; I83-I97 CarbonylContact C-O 3.6Å; I83-I97 VanDerWaalsContact CA-O 3.22Å; I83-I97 WeakPolarHBondContact CA-O 3.41Å | ||
| 84 | L | 97.7 | Very high | 97.7 | Very high | 79 Ų | 79 | 51.6 Ų | 51.6 | 41% | 0.414 | 31% | 0.309 | S | S | . | . | trans | -127.1 | 140.6 | -177.4 | -64.3 | 176 | 0 | 0 | 0 | 110.3 | S82 I97 | S82-L84 PolarHBondContact O-N 2.93Å; L84-I97 PolarHBondContact N-O 3.49Å | ||
| 85 | P | 98.3 | Very high | 97.8 | Very high | 52 Ų | 52 | 53.9 Ų | 53.9 | 34% | 0.338 | 32% | 0.318 | S | S | . | . | trans | -69.1 | 148.7 | 175.8 | 29.4 | -34.7 | 0 | 0 | 0 | 111.3 | N17 L18 K95 | N17-P85 HydrophobicContact CB-CB 4.39Å; L18-P85 WeakPolarHBondContact O-CA 3.43Å; P85-K95 WeakPolarHBondContact O-CE 3.49Å; P85-K95 PolarHBondContact O-NZ 2.76Å | ||
| 86 | Y | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 32% | 0.321 | C | S | . | . | B | Isolated β-bridge | trans | -95.9 | 113.6 | 169.1 | -170.7 | -82.5 | 0 | 0 | 0 | 108.9 | I8 S9 C10 L12 N17 L18 D90 G92 H93 K95 I97 | I8-Y86 HydrophobicContact CD1-CD2 3.89Å; I8-Y86 HydrophobicContact CD1-CG 3.96Å; I8-Y86 HydrophobicContact CG1-CD2 3.62Å; I8-Y86 HydrophobicContact CG1-CE2 4.07Å; I8-Y86 HydrophobicContact CG1-CG 4.22Å; I8-Y86 WeakPolarHBondContact O-CE2 3.34Å; S9-Y86 WeakPolarHBondContact CA-OH 3.41Å; C10-Y86 PolarHBondContact N-OH 2.5Å; C10-Y86 PolarHBondContact O-OH 3.32Å; C10-Y86 WeakPolarHBondContact SG-CE1 3.5Å; L12-Y86 HydrophobicContact CD1-CD1 3.87Å; L12-Y86 HydrophobicContact CD1-CE1 4.17Å; L12-Y86 HydrophobicContact CG-CD1 4.28Å; L12-Y86 HydrophobicContact CG-CE1 4.19Å; N17-Y86 PolarHBondContact N-O 2.91Å; L18-Y86 PolarHBondContact N-O 3.08Å; L18-Y86 PolarHBondContact O-N 3.22Å; Y86-D90 HydrophobicContact CD1-CB 4.24Å; Y86-D90 HydrophobicContact CD2-CB 4.05Å; Y86-D90 HydrophobicContact CE1-CB 4.04Å; Y86-D90 HydrophobicContact CE2-CB 3.85Å; Y86-D90 HydrophobicContact CG-CB 4.26Å; Y86-D90 VanDerWaalsContact CZ-O 3.25Å; Y86-D90 PolarHBondContact OH-O 2.82Å; Y86-G92 PolarHBondContact OH-N 2.97Å; Y86-H93 VanDerWaalsContact CE2-O 3.32Å; Y86-H93 WeakPolarHBondContact CE2-O 3.39Å; Y86-H93 PolarHBondContact OH-O 2.68Å; Y86-H93 VanDerWaalsContact OH-O 3.1Å; Y86-K95 HydrophobicContact CD2-CB 3.94Å; Y86-K95 HydrophobicContact CD2-CD 4.32Å; Y86-K95 HydrophobicContact CE2-CB 4.02Å; Y86-I97 HydrophobicContact CD2-CG2 4.36Å |
| 87 | S | 98.6 | Very high | 97.8 | Very high | 22 Ų | 22 | 54.4 Ų | 54.4 | 15% | 0.154 | 32% | 0.322 | C | S | . | . | trans | -97 | 168.1 | -171.7 | 70.1 | 0 | 0 | 0 | 0 | 112.1 | D89 D90 | S87-D89 PolarHBondContact O-N 2.93Å; S87-D90 WeakPolarHBondContact CB-OD2 3.26Å; S87-D90 PolarHBondContact N-OD2 2.96Å; S87-D90 WeakPolarHBondContact O-CB 3.14Å; S87-D90 PolarHBondContact O-N 3.43Å; S87-D90 PolarHBondContact OG-OD2 3.1Å | ||
| 88 | L | 98.6 | Very high | 97.9 | Very high | 62 Ų | 62 | 52.8 Ų | 52.8 | 33% | 0.325 | 31% | 0.313 | S | S | . | . | G | 310 helix | trans | -57 | -34.7 | 174.6 | -175.3 | 57.4 | 0 | 0 | 0 | 112.5 | L12 L15 T16 D90 S91 V121 | L12-L88 HydrophobicContact CB-CD1 3.88Å; L12-L88 WeakPolarHBondContact O-CD1 3.47Å; L15-L88 WeakPolarHBondContact O-CB 3.43Å; T16-L88 PolarHBondContact OG1-N 3.13Å; L88-D90 PolarHBondContact O-N 3.35Å; L88-S91 WeakPolarHBondContact O-CB 3.26Å; L88-S91 PolarHBondContact O-N 3.38Å; L88-S91 VanDerWaalsContact O-N 3.07Å; L88-V121 HydrophobicContact CD2-CG1 4.03Å |
| 89 | D | 98.5 | Very high | 97.9 | Very high | 150 Ų | 150 | 56 Ų | 56 | 80% | 0.802 | 33% | 0.327 | S | S | * | . | G | 310 helix | trans | -68.1 | -19.4 | 177.5 | -68.5 | -19.9 | 0 | 0 | 0 | 112.8 | S87 | S87-D89 PolarHBondContact O-N 2.93Š|
| 90 | D | 98.7 | Very high | 98 | Very high | 35 Ų | 35 | 53.7 Ų | 53.7 | 19% | 0.187 | 31% | 0.314 | C | S | . | . | G | 310 helix | trans | -87.3 | -9.2 | 175.3 | -53.2 | -63.4 | 0 | 0 | 0 | 112.2 | Y86 S87 L88 G92 H93 K95 | Y86-D90 HydrophobicContact CD1-CB 4.24Å; Y86-D90 HydrophobicContact CD2-CB 4.05Å; Y86-D90 HydrophobicContact CE1-CB 4.04Å; Y86-D90 HydrophobicContact CE2-CB 3.85Å; Y86-D90 HydrophobicContact CG-CB 4.26Å; Y86-D90 VanDerWaalsContact CZ-O 3.25Å; Y86-D90 PolarHBondContact OH-O 2.82Å; S87-D90 WeakPolarHBondContact CB-OD2 3.26Å; S87-D90 PolarHBondContact N-OD2 2.96Å; S87-D90 WeakPolarHBondContact O-CB 3.14Å; S87-D90 PolarHBondContact O-N 3.43Å; S87-D90 PolarHBondContact OG-OD2 3.1Å; L88-D90 PolarHBondContact O-N 3.35Å; D90-G92 PolarHBondContact O-N 3.24Å; D90-H93 WeakPolarHBondContact O-CA 3.3Å; D90-H93 WeakPolarHBondContact O-CB 3.36Å; D90-H93 PolarHBondContact O-N 3.34Å; D90-K95 HydrophobicContact CB-CD 4.08Å; D90-K95 WeakPolarHBondContact OD1-CD 3.47Å; D90-K95 IonicContact OD1-NZ 3.53Å; D90-K95 VanDerWaalsContact OD2-CD 3.3Å; D90-K95 WeakPolarHBondContact OD2-CD 3.39Å; D90-K95 IonicContact OD2-NZ 2.68Å; D90-K95 PolarHBondContact OD2-NZ 3.06Å |
| 91 | S | 98.6 | Very high | 98.1 | Very high | 35 Ų | 35 | 49 Ų | 49 | 25% | 0.245 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -50.6 | 128.8 | -174.4 | -171.1 | 0 | 0 | 0 | 0 | 112.6 | C10 E11 L12 L88 H93 | C10-S91 WeakPolarHBondContact O-CA 3.3Å; E11-S91 WeakPolarHBondContact CA-OG 3.28Å; L12-S91 PolarHBondContact N-OG 2.78Å; L88-S91 WeakPolarHBondContact O-CB 3.26Å; L88-S91 PolarHBondContact O-N 3.38Å; L88-S91 VanDerWaalsContact O-N 3.07Å; S91-H93 VanDerWaalsContact C-N 3.29Å; S91-H93 PolarHBondContact O-N 2.67Å |
| 92 | G | 98.3 | Very high | 98.3 | Very high | 36 Ų | 36 | 45.2 Ų | 45.2 | 37% | 0.371 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 74.7 | 7.6 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | C10 Y86 D90 | C10-G92 PolarHBondContact O-N 2.88Å; Y86-G92 PolarHBondContact OH-N 2.97Å; D90-G92 PolarHBondContact O-N 3.24Å |
| 93 | H | 98.7 | Very high | 98.3 | Very high | 131 Ų | 131 | 49.5 Ų | 49.5 | 61% | 0.606 | 26% | 0.258 | S | S | * | . | S | Bend | trans | -126.8 | 137.4 | -179.4 | -60.7 | -32.6 | 0 | 0 | 0 | 112.4 | S9 Y86 D90 S91 K95 | S9-H93 PolarHBondContact OG-N 2.83Å; Y86-H93 VanDerWaalsContact CE2-O 3.32Å; Y86-H93 WeakPolarHBondContact CE2-O 3.39Å; Y86-H93 PolarHBondContact OH-O 2.68Å; Y86-H93 VanDerWaalsContact OH-O 3.1Å; D90-H93 WeakPolarHBondContact O-CA 3.3Å; D90-H93 WeakPolarHBondContact O-CB 3.36Å; D90-H93 PolarHBondContact O-N 3.34Å; S91-H93 VanDerWaalsContact C-N 3.29Å; S91-H93 PolarHBondContact O-N 2.67Å; H93-K95 PolarHBondContact O-N 3.28Å |
| 94 | F | 98.8 | Very high | 98.2 | Very high | 76 Ų | 76 | 47.7 Ų | 47.7 | 33% | 0.333 | 26% | 0.258 | S | S | . | . | trans | -65.1 | 123.1 | 175 | -81.5 | -72.6 | 0 | 0 | 0 | 111.9 | Q7 I8 Q154 Q156 | Q7-F94 HydrophobicContact CB-CB 4.38Å; Q7-F94 HydrophobicContact CB-CD1 4.03Å; I8-F94 WeakPolarHBondContact O-CA 3.22Å; F94-Q154 HydrophobicContact CE1-CB 4.04Å; F94-Q154 HydrophobicContact CZ-CB 3.73Å; F94-Q156 HydrophobicContact CD1-CG 3.77Å; F94-Q156 HydrophobicContact CE1-CB 4.31Å; F94-Q156 HydrophobicContact CE1-CG 3.8Å; F94-Q156 HydrophobicContact CG-CG 4.32Å; F94-Q156 HydrophobicContact CZ-CG 4.38Å | ||
| 95 | K | 98.6 | Very high | 98.2 | Very high | 52 Ų | 52 | 44.3 Ų | 44.3 | 23% | 0.226 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 137.2 | 174.6 | 175.1 | 177.1 | -175 | -179.3 | 0 | 111.1 | Q7 I8 P85 Y86 D90 H93 I97 | Q7-K95 WeakPolarHBondContact CA-O 3.47Å; Q7-K95 WeakPolarHBondContact CB-O 3.27Å; I8-K95 PolarHBondContact N-O 2.98Å; I8-K95 PolarHBondContact O-N 2.82Å; P85-K95 WeakPolarHBondContact O-CE 3.49Å; P85-K95 PolarHBondContact O-NZ 2.76Å; Y86-K95 HydrophobicContact CD2-CB 3.94Å; Y86-K95 HydrophobicContact CD2-CD 4.32Å; Y86-K95 HydrophobicContact CE2-CB 4.02Å; D90-K95 HydrophobicContact CB-CD 4.08Å; D90-K95 WeakPolarHBondContact OD1-CD 3.47Å; D90-K95 IonicContact OD1-NZ 3.53Å; D90-K95 VanDerWaalsContact OD2-CD 3.3Å; D90-K95 WeakPolarHBondContact OD2-CD 3.39Å; D90-K95 IonicContact OD2-NZ 2.68Å; D90-K95 PolarHBondContact OD2-NZ 3.06Å; H93-K95 PolarHBondContact O-N 3.28Å; K95-I97 PolarHBondContact O-N 3.45Å |
| 96 | T | 98.5 | Very high | 98.1 | Very high | 25 Ų | 25 | 44.4 Ų | 44.4 | 15% | 0.153 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 116.9 | 171.4 | -52.2 | 0 | 0 | 0 | 0 | 110.4 | V6 Q7 A98 K99 | V6-T96 WeakPolarHBondContact O-CA 3.34Å; Q7-T96 WeakPolarHBondContact CG-OG1 3.34Å; Q7-T96 PolarHBondContact NE2-OG1 2.84Å; T96-A98 WeakPolarHBondContact CG2-O 3.32Å; T96-K99 HydrophobicContact CG2-CG 3.99Å |
| 97 | I | 98.4 | Very high | 98.1 | Very high | 2 Ų | 2 | 44.8 Ų | 44.8 | 1% | 0.01 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | -14.8 | -179.5 | 58.8 | 159.7 | 0 | 0 | 0 | 113.6 | V6 I8 W27 I83 L84 Y86 K95 W116 | V6-I97 HydrophobicContact CG1-CG1 4.36Å; V6-I97 PolarHBondContact O-N 3.38Å; I8-I97 HydrophobicContact CB-CD1 4.38Å; I8-I97 HydrophobicContact CD1-CD1 3.85Å; I8-I97 HydrophobicContact CD1-CG2 4.16Å; I8-I97 HydrophobicContact CG1-CD1 3.87Å; I8-I97 HydrophobicContact CG1-CG1 4.2Å; I8-I97 HydrophobicContact CG1-CG2 3.79Å; I8-I97 HydrophobicContact CG2-CD1 3.62Å; I8-I97 HydrophobicContact CG2-CG1 4.16Å; W27-I97 HydrophobicContact CH2-CD1 3.84Å; W27-I97 HydrophobicContact CH2-CG1 4.2Å; W27-I97 HydrophobicContact CZ3-CD1 3.83Å; W27-I97 HydrophobicContact CZ3-CG1 4.25Å; I83-I97 CarbonylContact C-O 3.6Å; I83-I97 VanDerWaalsContact CA-O 3.22Å; I83-I97 WeakPolarHBondContact CA-O 3.41Å; L84-I97 PolarHBondContact N-O 3.49Å; Y86-I97 HydrophobicContact CD2-CG2 4.36Å; K95-I97 PolarHBondContact O-N 3.45Å; I97-W116 HydrophobicContact CD1-CH2 3.61Å; I97-W116 HydrophobicContact CD1-CZ3 4.05Å |
| 98 | A | 98.4 | Very high | 98 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 149.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | G5 V6 W27 T96 F100 | G5-A98 WeakPolarHBondContact CA-O 3.27Å; V6-A98 PolarHBondContact N-O 2.92Å; W27-A98 HydrophobicContact CD2-CB 4.44Å; W27-A98 HydrophobicContact CE3-CB 4.2Å; W27-A98 HydrophobicContact CH2-CB 3.39Å; W27-A98 HydrophobicContact CZ2-CB 3.63Å; W27-A98 HydrophobicContact CZ3-CB 3.69Å; T96-A98 WeakPolarHBondContact CG2-O 3.32Å; A98-F100 HydrophobicContact CB-CE2 3.71Å; A98-F100 HydrophobicContact CB-CZ 4.1Å |
| 99 | K | 98.4 | Very high | 97.9 | Very high | 82 Ų | 82 | 47 Ų | 47 | 36% | 0.357 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 145.4 | 176.3 | -54.4 | 177.4 | -176.7 | 171.4 | 0 | 110.2 | L4 I79 S82 T96 L160 | L4-K99 CarbonylContact O-C 3.56Å; L4-K99 VanDerWaalsContact O-CA 3.31Å; L4-K99 WeakPolarHBondContact O-CA 3.45Å; I79-K99 HydrophobicContact CB-CB 4.25Å; I79-K99 HydrophobicContact CD1-CB 3.68Å; I79-K99 HydrophobicContact CG1-CB 4.2Å; I79-K99 PolarHBondContact N-O 2.81Å; S82-K99 PolarHBondContact OG-N 3.07Å; S82-K99 VanDerWaalsContact OG-N 3.1Å; S82-K99 PolarHBondContact OG-O 2.81Å; T96-K99 HydrophobicContact CG2-CG 3.99Å; K99-L160 HydrophobicContact CB-CD1 4.16Å; K99-L160 HydrophobicContact CD-CD1 3.83Å; K99-L160 HydrophobicContact CG-CD1 3.74Å |
| 100 | F | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 138.8 | -175.8 | -58.9 | -101.3 | 0 | 0 | 0 | 110.8 | L3 L4 V6 W27 L29 I46 D77 I78 A98 F107 | L3-F100 WeakPolarHBondContact CA-O 3.18Å; L4-F100 PolarHBondContact N-O 3.03Å; L4-F100 PolarHBondContact O-N 3.36Å; V6-F100 HydrophobicContact CB-CE2 4.23Å; V6-F100 HydrophobicContact CG2-CD2 4.17Å; V6-F100 HydrophobicContact CG2-CE2 3.5Å; V6-F100 HydrophobicContact CG2-CZ 4.31Å; W27-F100 HydrophobicContact CB-CE1 4.24Å; W27-F100 HydrophobicContact CB-CZ 4.01Å; W27-F100 AromaticContact CD2-CZ 3.84Å; W27-F100 HydrophobicContact CD2-CZ 3.84Å; W27-F100 HydrophobicContact CE3-CZ 4.05Å; W27-F100 HydrophobicContact CG-CE1 4.24Å; W27-F100 AromaticContact CG-CZ 3.82Å; W27-F100 HydrophobicContact CG-CZ 3.82Å; L29-F100 HydrophobicContact CD1-CE1 4.22Å; L29-F100 HydrophobicContact CD1-CZ 4.34Å; I46-F100 HydrophobicContact CB-CE1 4.36Å; I46-F100 HydrophobicContact CD1-CD1 3.85Å; I46-F100 HydrophobicContact CD1-CE1 3.95Å; I46-F100 HydrophobicContact CG2-CE1 4.5Å; D77-F100 CarbonylContact O-C 3.55Å; D77-F100 WeakPolarHBondContact O-CA 3.46Å; I78-F100 HydrophobicContact CB-CE1 4.49Å; I78-F100 HydrophobicContact CD1-CE1 4.16Å; I78-F100 HydrophobicContact CG1-CD1 3.7Å; I78-F100 HydrophobicContact CG1-CE1 3.33Å; I78-F100 HydrophobicContact CG1-CZ 4.15Å; A98-F100 HydrophobicContact CB-CE2 3.71Å; A98-F100 HydrophobicContact CB-CZ 4.1Å; F100-F107 HydrophobicContact CB-CE2 3.65Å; F100-F107 HydrophobicContact CB-CZ 4.15Å; F100-F107 AromaticContact CD1-CE2 3.91Å; F100-F107 HydrophobicContact CD1-CE2 3.91Å; F100-F107 HydrophobicContact CD1-CZ 4.13Å; F100-F107 AromaticContact CD2-CE2 3.89Å; F100-F107 HydrophobicContact CD2-CE2 3.89Å; F100-F107 AromaticContact CG-CE2 3.55Å; F100-F107 HydrophobicContact CG-CE2 3.55Å; F100-F107 HydrophobicContact CG-CZ 4.16Å |
| 101 | D | 97.2 | Very high | 97.9 | Very high | 25 Ų | 25 | 39.4 Ų | 39.4 | 13% | 0.134 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 113 | 166.8 | 179.8 | -4 | 0 | 0 | 0 | 109 | M1 L3 A76 D77 I79 R103 | M1-D101 WeakPolarHBondContact CG-OD1 3.35Å; L3-D101 HydrophobicContact CD2-CB 4.19Å; A76-D101 CarbonylContact C-O 3.59Å; A76-D101 VanDerWaalsContact CA-O 3.25Å; A76-D101 WeakPolarHBondContact CA-O 3.15Å; D77-D101 PolarHBondContact N-O 3.4Å; D77-D101 PolarHBondContact O-N 3.01Å; I79-D101 HydrophobicContact CG1-CB 4.46Å; D101-R103 IonicContact OD1-CZ 3.39Å; D101-R103 IonicContact OD1-NH1 3.81Å; D101-R103 IonicContact OD1-NH2 3.73Å; D101-R103 IonicContact OD2-CZ 3.9Å; D101-R103 IonicContact OD2-NH1 2.74Å; D101-R103 IonicContact OD2-NH2 2.71Å; D101-R103 PolarHBondContact OD2-NH2 2.97Å |
| 102 | C | 97.7 | Very high | 97.8 | Very high | 1 Ų | 1 | 37.8 Ų | 37.8 | 1% | 0.007 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 134 | -176.9 | -60.3 | 0 | 0 | 0 | 0 | 112.2 | M1 V2 L4 L105 F107 | M1-C102 CarbonylContact C-O 3.58Å; M1-C102 WeakPolarHBondContact CA-O 3.44Å; V2-C102 PolarHBondContact N-O 2.97Å; V2-C102 PolarHBondContact O-N 3.08Å; L4-C102 HydrophobicContact CD1-CB 4.47Å; C102-L105 HydrophobicContact CB-CD1 3.84Å; C102-L105 HydrophobicContact CB-CG 4.41Å; C102-L105 WeakPolarHBondContact CB-O 3.4Å; C102-F107 WeakPolarHBondContact SG-CZ 3.45Å |
| 103 | R | 96.7 | Very high | 97.8 | Very high | 99 Ų | 99 | 39.6 Ų | 39.6 | 37% | 0.374 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 110.5 | 175.2 | -59.9 | -175.6 | 179.3 | 74.8 | 13.5 | 111.1 | S74 N75 D77 D101 L105 | S74-R103 VanDerWaalsContact CA-O 3.3Å; S74-R103 WeakPolarHBondContact CA-O 3.28Å; S74-R103 WeakPolarHBondContact CB-O 3.44Å; N75-R103 PolarHBondContact N-O 3.48Å; N75-R103 PolarHBondContact O-N 2.81Å; N75-R103 WeakPolarHBondContact OD1-CB 3.37Å; N75-R103 WeakPolarHBondContact OD1-CD 3.5Å; D77-R103 IonicContact OD2-NH1 3.51Å; D101-R103 IonicContact OD1-CZ 3.39Å; D101-R103 IonicContact OD1-NH1 3.81Å; D101-R103 IonicContact OD1-NH2 3.73Å; D101-R103 IonicContact OD2-CZ 3.9Å; D101-R103 IonicContact OD2-NH1 2.74Å; D101-R103 IonicContact OD2-NH2 2.71Å; D101-R103 PolarHBondContact OD2-NH2 2.97Å; R103-L105 VanDerWaalsContact C-N 3.3Å |
| 104 | G | 96.3 | Very high | 97.7 | Very high | 38 Ų | 38 | 36.8 Ų | 36.8 | 39% | 0.392 | 19% | 0.188 | S | C | . | . | S | Bend | trans | 82.7 | 4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | G34 S74 | G34-G104 WeakPolarHBondContact CA-O 3.38Å; G34-G104 PolarHBondContact N-O 3.24Å; S74-G104 VanDerWaalsContact OG-C 3.28Å; S74-G104 PolarHBondContact OG-O 2.89Å |
| 105 | L | 97.3 | Very high | 97.6 | Very high | 8 Ų | 8 | 33.9 Ų | 33.9 | 4% | 0.042 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 163.8 | 177.8 | 67.2 | 81.6 | 0 | 0 | 0 | 111 | V31 K32 I65 A76 C102 R103 F107 | V31-L105 HydrophobicContact CG1-CB 3.7Å; V31-L105 HydrophobicContact CG1-CD1 4.07Å; V31-L105 HydrophobicContact CG1-CD2 3.98Å; V31-L105 HydrophobicContact CG1-CG 4.13Å; K32-L105 VanDerWaalsContact O-CA 3.27Å; K32-L105 WeakPolarHBondContact O-CA 3.46Å; I65-L105 HydrophobicContact CG2-CD2 3.73Å; A76-L105 HydrophobicContact CB-CD1 4.25Å; A76-L105 HydrophobicContact CB-CD2 4.35Å; C102-L105 HydrophobicContact CB-CD1 3.84Å; C102-L105 HydrophobicContact CB-CG 4.41Å; C102-L105 WeakPolarHBondContact CB-O 3.4Å; R103-L105 VanDerWaalsContact C-N 3.3Å; L105-F107 HydrophobicContact CD1-CD1 3.93Å; L105-F107 HydrophobicContact CD1-CE1 3.46Å; L105-F107 VanDerWaalsContact CD1-CE1 3.46Å; L105-F107 HydrophobicContact CD1-CZ 4.21Å |
| 106 | E | 97 | Very high | 97.6 | Very high | 53 Ų | 53 | 31.4 Ų | 31.4 | 25% | 0.248 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 160.9 | 164.1 | 62.9 | -174.5 | -178 | 0 | 0 | 110.1 | L4 V31 K32 K159 | L4-E106 HydrophobicContact CD1-CB 4.13Å; V31-E106 CarbonylContact C-O 3.59Å; V31-E106 WeakPolarHBondContact CA-O 3.48Å; K32-E106 HydrophobicContact CB-CG 3.88Å; K32-E106 HydrophobicContact CD-CG 4.47Å; K32-E106 HydrophobicContact CG-CG 4.43Å; K32-E106 PolarHBondContact N-O 3.08Å; K32-E106 PolarHBondContact O-N 2.92Å; E106-K159 VanDerWaalsContact OE2-CE 3.26Å; E106-K159 WeakPolarHBondContact OE2-CE 3.29Å; E106-K159 IonicContact OE2-NZ 2.76Å; E106-K159 PolarHBondContact OE2-NZ 2.97Å |
| 107 | F | 97.9 | Very high | 97.6 | Very high | 9 Ų | 9 | 31 Ų | 31 | 4% | 0.039 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 142.5 | 174.5 | -49.8 | -40.9 | 0 | 0 | 0 | 110.6 | L4 L29 K30 V31 I46 A76 F100 C102 L105 I157 | L4-F107 HydrophobicContact CB-CD2 4.29Å; L4-F107 HydrophobicContact CD1-CB 4.24Å; L4-F107 HydrophobicContact CD1-CD2 3.72Å; L4-F107 HydrophobicContact CD1-CE2 4.22Å; L4-F107 HydrophobicContact CD1-CG 3.97Å; L29-F107 HydrophobicContact CB-CD1 4.14Å; L29-F107 HydrophobicContact CB-CG 4.36Å; L29-F107 HydrophobicContact CD1-CD1 4.07Å; L29-F107 HydrophobicContact CD1-CD2 3.95Å; L29-F107 HydrophobicContact CD1-CE1 3.86Å; L29-F107 HydrophobicContact CD1-CE2 3.72Å; L29-F107 HydrophobicContact CD1-CG 4.13Å; L29-F107 HydrophobicContact CD1-CZ 3.69Å; L29-F107 HydrophobicContact CD2-CB 4.11Å; L29-F107 HydrophobicContact CD2-CD2 3.91Å; L29-F107 HydrophobicContact CD2-CE2 4.48Å; L29-F107 HydrophobicContact CD2-CG 3.94Å; L29-F107 HydrophobicContact CG-CD1 4.47Å; L29-F107 HydrophobicContact CG-CD2 4.47Å; L29-F107 HydrophobicContact CG-CG 4.37Å; K30-F107 WeakPolarHBondContact O-CA 3.48Å; V31-F107 HydrophobicContact CG2-CD1 3.94Å; V31-F107 HydrophobicContact CG2-CE1 4.15Å; I46-F107 HydrophobicContact CD1-CE1 3.98Å; I46-F107 HydrophobicContact CD1-CE2 4.46Å; I46-F107 HydrophobicContact CD1-CZ 3.52Å; A76-F107 HydrophobicContact CB-CE1 4.32Å; A76-F107 HydrophobicContact CB-CZ 3.95Å; F100-F107 HydrophobicContact CB-CE2 3.65Å; F100-F107 HydrophobicContact CB-CZ 4.15Å; F100-F107 AromaticContact CD1-CE2 3.91Å; F100-F107 HydrophobicContact CD1-CE2 3.91Å; F100-F107 HydrophobicContact CD1-CZ 4.13Å; F100-F107 AromaticContact CD2-CE2 3.89Å; F100-F107 HydrophobicContact CD2-CE2 3.89Å; F100-F107 AromaticContact CG-CE2 3.55Å; F100-F107 HydrophobicContact CG-CE2 3.55Å; F100-F107 HydrophobicContact CG-CZ 4.16Å; C102-F107 WeakPolarHBondContact SG-CZ 3.45Å; L105-F107 HydrophobicContact CD1-CD1 3.93Å; L105-F107 HydrophobicContact CD1-CE1 3.46Å; L105-F107 VanDerWaalsContact CD1-CE1 3.46Å; L105-F107 HydrophobicContact CD1-CZ 4.21Å; F107-I157 HydrophobicContact CB-CD1 4.2Å; F107-I157 HydrophobicContact CB-CG1 4.07Å; F107-I157 HydrophobicContact CB-CG2 4.1Å |
| 108 | T | 96.5 | Very high | 97.7 | Very high | 55 Ų | 55 | 31 Ų | 31 | 34% | 0.337 | 17% | 0.168 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | -23.6 | 179.5 | 43.6 | 0 | 0 | 0 | 0 | 113.2 | K30 K32 D39 | K30-T108 WeakPolarHBondContact CB-OG1 3.17Å; K30-T108 PolarHBondContact O-N 2.97Å; K30-T108 PolarHBondContact O-OG1 3.05Å; K32-T108 HydrophobicContact CB-CG2 3.79Å; K32-T108 HydrophobicContact CD-CG2 4.35Å; D39-T108 VanDerWaalsContact OD1-CG2 3.28Å; D39-T108 WeakPolarHBondContact OD1-CG2 3.38Å; D39-T108 PolarHBondContact OD1-OG1 2.85Å |
| 109 | E | 97.6 | Very high | 97.7 | Very high | 75 Ų | 75 | 32.7 Ų | 32.7 | 35% | 0.35 | 18% | 0.18 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.9 | 146.8 | -177.3 | -157.9 | 172.2 | 126.5 | 0 | 0 | 109.6 | L29 K30 Y43 | L29-E109 CarbonylContact C-O 3.54Å; L29-E109 VanDerWaalsContact CA-O 3.28Å; L29-E109 WeakPolarHBondContact CA-O 3.28Å; K30-E109 HydrophobicContact CB-CB 3.84Å; K30-E109 HydrophobicContact CD-CB 3.98Å; K30-E109 WeakPolarHBondContact CD-OE2 3.32Å; K30-E109 WeakPolarHBondContact CE-OE2 3.45Å; K30-E109 HydrophobicContact CG-CB 4.01Å; K30-E109 PolarHBondContact N-O 2.82Å; K30-E109 VanDerWaalsContact NZ-CD 3.32Å; K30-E109 IonicContact NZ-OE1 3.58Å; K30-E109 PolarHBondContact NZ-OE1 2.85Å; K30-E109 IonicContact NZ-OE2 3.18Å; K30-E109 PolarHBondContact NZ-OE2 3.17Å; Y43-E109 HydrophobicContact CE1-CB 4.44Å; Y43-E109 HydrophobicContact CE1-CG 4.41Å; Y43-E109 VanDerWaalsContact OH-CD 3.31Å; Y43-E109 PolarHBondContact OH-OE1 3.1Å |
| 110 | F | 98.4 | Very high | 97.7 | Very high | 5 Ų | 5 | 29.2 Ų | 29.2 | 2% | 0.022 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 137.4 | 173.3 | 169.8 | -116.3 | 0 | 0 | 0 | 109.8 | V6 I8 W27 Y28 L29 P112 W116 F153 S155 I157 | V6-F110 HydrophobicContact CG1-CB 4.32Å; V6-F110 HydrophobicContact CG1-CD1 3.57Å; V6-F110 HydrophobicContact CG1-CD2 4.31Å; V6-F110 HydrophobicContact CG1-CE1 3.87Å; V6-F110 HydrophobicContact CG1-CG 3.8Å; V6-F110 HydrophobicContact CG1-CZ 4.37Å; I8-F110 HydrophobicContact CG2-CD1 4.38Å; I8-F110 HydrophobicContact CG2-CE1 4.01Å; W27-F110 HydrophobicContact CE3-CD2 4.42Å; W27-F110 AromaticContact CE3-CE2 3.58Å; W27-F110 HydrophobicContact CE3-CE2 3.58Å; W27-F110 AromaticContact CE3-CZ 3.78Å; W27-F110 HydrophobicContact CE3-CZ 3.78Å; W27-F110 HydrophobicContact CZ3-CE2 4.14Å; W27-F110 AromaticContact CZ3-CZ 3.86Å; W27-F110 HydrophobicContact CZ3-CZ 3.86Å; Y28-F110 VanDerWaalsContact O-CD2 3.3Å; Y28-F110 WeakPolarHBondContact O-CD2 3.44Å; L29-F110 HydrophobicContact CD2-CB 3.97Å; L29-F110 HydrophobicContact CD2-CD2 3.92Å; L29-F110 HydrophobicContact CD2-CG 4.39Å; L29-F110 HydrophobicContact CG-CD2 4.44Å; F110-P112 HydrophobicContact CE1-CB 4.06Å; F110-P112 HydrophobicContact CZ-CB 4.19Å; F110-W116 HydrophobicContact CZ-CH2 4.45Å; F110-W116 HydrophobicContact CZ-CZ2 4.02Å; F110-F153 HydrophobicContact CE1-CZ 4.25Å; F110-S155 PolarHBondContact O-OG 3.21Å; F110-I157 HydrophobicContact CB-CD1 4.1Å |
| 111 | S | 98.2 | Very high | 97.7 | Very high | 20 Ų | 20 | 32.2 Ų | 32.2 | 14% | 0.14 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 120.6 | 174.8 | 175.9 | 0 | 0 | 0 | 0 | 109.2 | Y28 R113 | Y28-S111 PolarHBondContact O-N 3.43Å; S111-R113 VanDerWaalsContact OG-CG 3.28Å; S111-R113 WeakPolarHBondContact OG-CG 3.45Å |
| 112 | P | 97.5 | Very high | 97.8 | Very high | 2 Ų | 2 | 35.1 Ų | 35.1 | 1% | 0.013 | 20% | 0.199 | C | C | . | . | trans | -74.6 | -33.3 | -173.3 | 31.4 | -38.1 | 0 | 0 | 0 | 113 | F110 W116 L132 F153 | F110-P112 HydrophobicContact CE1-CB 4.06Å; F110-P112 HydrophobicContact CZ-CB 4.19Å; P112-W116 HydrophobicContact CB-CZ2 3.8Å; P112-W116 PolarHBondContact O-NE1 3.23Å; P112-L132 HydrophobicContact CB-CB 3.89Å; P112-L132 HydrophobicContact CB-CD1 4.24Å; P112-L132 HydrophobicContact CG-CB 3.64Å; P112-L132 WeakPolarHBondContact CG-O 3.25Å; P112-F153 HydrophobicContact CB-CE1 4Å; P112-F153 HydrophobicContact CB-CE2 4.21Å; P112-F153 HydrophobicContact CB-CZ 3.62Å; P112-F153 HydrophobicContact CG-CD1 4.03Å; P112-F153 HydrophobicContact CG-CE1 3.5Å; P112-F153 HydrophobicContact CG-CE2 4.3Å; P112-F153 HydrophobicContact CG-CZ 3.65Å | ||
| 113 | R | 97.2 | Very high | 97.8 | Very high | 73 Ų | 73 | 36.7 Ų | 36.7 | 28% | 0.275 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 48 | -146.2 | -179.5 | -52.5 | -162.1 | -174.4 | -179.4 | -5.6 | 112.6 | Y28 S111 L132 | Y28-R113 HydrophobicContact CD2-CB 4.23Å; Y28-R113 VanDerWaalsContact CD2-CD 3.4Å; Y28-R113 HydrophobicContact CD2-CG 3.89Å; Y28-R113 HydrophobicContact CE2-CB 4.41Å; Y28-R113 HydrophobicContact CE2-CG 4.38Å; Y28-R113 HydrophobicContact CG-CG 4.36Å; S111-R113 VanDerWaalsContact OG-CG 3.28Å; S111-R113 WeakPolarHBondContact OG-CG 3.45Å; R113-L132 WeakPolarHBondContact O-CA 3.24Å; R113-L132 PolarHBondContact O-N 3.28Å |
| 114 | S | 97 | Very high | 97.8 | Very high | 72 Ų | 72 | 37.7 Ų | 37.7 | 50% | 0.503 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 168.7 | 179.9 | 63.3 | 0 | 0 | 0 | 0 | 113.2 | ||
| 115 | G | 97.3 | Very high | 97.9 | Very high | 15 Ų | 15 | 36.8 Ų | 36.8 | 16% | 0.155 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 100.3 | 27.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | S21 F25 I130 | S21-G115 PolarHBondContact N-O 3.15Å; S21-G115 PolarHBondContact OG-O 3.15Å; S21-G115 VanDerWaalsContact OG-O 3.08Å; F25-G115 WeakPolarHBondContact CD2-O 3.04Å; F25-G115 VanDerWaalsContact CE2-O 3.28Å; F25-G115 WeakPolarHBondContact CE2-O 3.38Å; G115-I130 PolarHBondContact N-O 2.84Å |
| 116 | W | 98.6 | Very high | 97.9 | Very high | 1 Ų | 1 | 40.2 Ų | 40.2 | 0% | 0.004 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 156 | 175.2 | -63.3 | 84.7 | 0 | 0 | 0 | 110.6 | L18 S19 P20 F25 W27 I97 F110 P112 D129 I130 L132 | L18-W116 HydrophobicContact CD1-CB 3.88Å; L18-W116 HydrophobicContact CD1-CD2 4.31Å; L18-W116 HydrophobicContact CD1-CE3 3.89Å; L18-W116 HydrophobicContact CD1-CG 4.34Å; L18-W116 HydrophobicContact CG-CE3 3.98Å; S19-W116 VanDerWaalsContact C-CE3 3.44Å; S19-W116 CarbonylContact O-C 3.57Å; S19-W116 WeakPolarHBondContact O-CA 3.02Å; P20-W116 HydrophobicContact CG-CZ3 4.45Å; F25-W116 HydrophobicContact CE1-CZ2 4.15Å; F25-W116 HydrophobicContact CE2-CD2 4.36Å; F25-W116 AromaticContact CE2-CE2 3.95Å; F25-W116 HydrophobicContact CE2-CG 4.48Å; F25-W116 HydrophobicContact CE2-CZ2 4.37Å; F25-W116 AromaticContact CE2-NE1 3.81Å; F25-W116 HydrophobicContact CZ-CD2 4.33Å; F25-W116 AromaticContact CZ-CE2 3.54Å; F25-W116 HydrophobicContact CZ-CH2 4.32Å; F25-W116 AromaticContact CZ-CZ2 3.54Å; F25-W116 HydrophobicContact CZ-CZ2 3.54Å; F25-W116 AromaticContact CZ-NE1 3.59Å; W27-W116 HydrophobicContact CH2-CH2 4.42Å; W27-W116 HydrophobicContact CZ3-CH2 4.46Å; I97-W116 HydrophobicContact CD1-CH2 3.61Å; I97-W116 HydrophobicContact CD1-CZ3 4.05Å; F110-W116 HydrophobicContact CZ-CH2 4.45Å; F110-W116 HydrophobicContact CZ-CZ2 4.02Å; P112-W116 HydrophobicContact CB-CZ2 3.8Å; P112-W116 PolarHBondContact O-NE1 3.23Å; W116-D129 PolarHBondContact O-N 2.97Å; W116-I130 HydrophobicContact CB-CB 3.87Å; W116-I130 HydrophobicContact CB-CG2 4.14Å; W116-I130 PolarHBondContact N-O 3.45Å; W116-I130 WeakPolarHBondContact O-CB 3.35Å; W116-I130 PolarHBondContact O-N 2.9Å; W116-L132 HydrophobicContact CD2-CD1 4.16Å; W116-L132 HydrophobicContact CG-CD1 4.07Å |
| 117 | S | 98.6 | Very high | 98 | Very high | 17 Ų | 17 | 38.7 Ų | 38.7 | 12% | 0.119 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 153.2 | 167.4 | 61.9 | 0 | 0 | 0 | 0 | 110.8 | L18 S19 F127 D128 | L18-S117 VanDerWaalsContact CA-O 3.3Å; L18-S117 WeakPolarHBondContact CA-O 3.49Å; S19-S117 PolarHBondContact N-O 2.79Å; S19-S117 PolarHBondContact O-N 3.04Å; S117-F127 CarbonylContact C-O 3.54Å; S117-F127 WeakPolarHBondContact CA-O 3.46Å; S117-F127 WeakPolarHBondContact CB-O 3.3Å; S117-D128 VanDerWaalsContact CB-OD1 3.3Å; S117-D128 WeakPolarHBondContact CB-OD1 3.3Å |
| 118 | A | 98.8 | Very high | 97.9 | Very high | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.008 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 156.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | L15 L18 F127 I130 | L15-A118 HydrophobicContact CB-CB 4.39Å; L15-A118 HydrophobicContact CD1-CB 4.22Å; L15-A118 HydrophobicContact CD2-CB 4.09Å; L15-A118 HydrophobicContact CG-CB 4.48Å; L18-A118 HydrophobicContact CB-CB 4.48Å; L18-A118 HydrophobicContact CD1-CB 4.38Å; A118-F127 PolarHBondContact N-O 3Å; A118-F127 PolarHBondContact O-N 2.97Å; A118-I130 HydrophobicContact CB-CD1 3.67Å |
| 119 | S | 98.7 | Very high | 97.7 | Very high | 36 Ų | 36 | 46.7 Ų | 46.7 | 25% | 0.252 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 142.3 | 177.8 | -52.3 | 0 | 0 | 0 | 0 | 110.9 | L15 T16 | L15-S119 CarbonylContact C-O 3.48Å; L15-S119 WeakPolarHBondContact CA-O 3.15Å; T16-S119 PolarHBondContact N-O 3.31Å; T16-S119 PolarHBondContact O-N 3.17Å |
| 120 | S | 98.7 | Very high | 97.7 | Very high | 9 Ų | 9 | 43.1 Ų | 43.1 | 6% | 0.063 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.8 | 146.2 | 167.2 | -178.2 | 0 | 0 | 0 | 0 | 110.8 | N122 S123 A125 D141 | S120-N122 PolarHBondContact OG-N 3.05Å; S120-S123 PolarHBondContact OG-N 3.33Å; S120-A125 PolarHBondContact N-O 2.78Å; S120-D141 WeakPolarHBondContact CB-OD2 3.28Å; S120-D141 PolarHBondContact OG-OD2 2.84Å |
| 121 | V | 98.6 | Very high | 97.7 | Very high | 63 Ų | 63 | 44.9 Ų | 44.9 | 38% | 0.382 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -89.8 | -12.8 | 168.1 | -55.4 | 0 | 0 | 0 | 0 | 112.9 | N14 T16 L88 | N14-V121 HydrophobicContact CB-CG2 4.34Å; N14-V121 PolarHBondContact O-N 3.08Å; N14-V121 VanDerWaalsContact O-N 3.08Å; T16-V121 HydrophobicContact CG2-CG1 3.81Å; L88-V121 HydrophobicContact CD2-CG1 4.03Å |
| 122 | N | 98.2 | Very high | 97.7 | Very high | 85 Ų | 85 | 44 Ų | 44 | 46% | 0.455 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -106.9 | -8.1 | -173.5 | -63.7 | -61.5 | 0 | 0 | 0 | 113.5 | N14 S120 C146 | N14-N122 WeakPolarHBondContact CB-ND2 3.46Å; N14-N122 VanDerWaalsContact CG-ND2 3.27Å; N14-N122 PolarHBondContact OD1-ND2 2.98Å; S120-N122 PolarHBondContact OG-N 3.05Å; N122-C146 PolarHBondContact ND2-SG 3.26Å |
| 123 | S | 98.1 | Very high | 97.7 | Very high | 34 Ų | 34 | 47.5 Ų | 47.5 | 24% | 0.238 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -153.3 | -175.6 | 178 | 77.4 | 0 | 0 | 0 | 0 | 111.7 | S120 A125 D141 | S120-S123 PolarHBondContact OG-N 3.33Å; S123-A125 WeakPolarHBondContact OG-CB 3.41Å; S123-A125 PolarHBondContact OG-N 2.87Å; S123-D141 WeakPolarHBondContact CB-OD2 3.3Å; S123-D141 PolarHBondContact OG-OD1 3.2Å; S123-D141 PolarHBondContact OG-OD2 3.06Å |
| 124 | D | 97.7 | Very high | 97.6 | Very high | 121 Ų | 121 | 50.4 Ų | 50.4 | 65% | 0.647 | 30% | 0.299 | S | S | * | . | S | Bend | trans | -84.5 | 10.5 | 170.9 | 66.7 | -24.3 | 0 | 0 | 0 | 112.9 | K143 | D124-K143 WeakPolarHBondContact OD1-CD 3.46Å; D124-K143 WeakPolarHBondContact OD1-CE 3.44Å; D124-K143 IonicContact OD1-NZ 2.7Å; D124-K143 PolarHBondContact OD1-NZ 2.83Å; D124-K143 IonicContact OD2-NZ 3.03Å; D124-K143 PolarHBondContact OD2-NZ 3.35Å |
| 125 | A | 98.1 | Very high | 97.6 | Very high | 19 Ų | 19 | 52.2 Ų | 52.2 | 16% | 0.157 | 30% | 0.3 | C | S | . | . | trans | -68.1 | 133.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | S120 S123 F127 | S120-A125 PolarHBondContact N-O 2.78Å; S123-A125 WeakPolarHBondContact OG-CB 3.41Å; S123-A125 PolarHBondContact OG-N 2.87Å; A125-F127 HydrophobicContact CB-CE2 4.22Å; A125-F127 HydrophobicContact CB-CZ 4.39Å | ||
| 126 | V | 98.2 | Very high | 97.6 | Very high | 80 Ų | 80 | 55.8 Ų | 55.8 | 49% | 0.485 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 131 | 169.4 | -179.5 | 0 | 0 | 0 | 0 | 107.1 | ||
| 127 | F | 98.2 | Very high | 97.6 | Very high | 21 Ų | 21 | 57.8 Ų | 57.8 | 9% | 0.092 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 105.3 | 176.1 | -61.3 | -88.9 | 0 | 0 | 0 | 107.1 | L15 S117 A118 A125 I130 W137 D139 D141 V148 | L15-F127 HydrophobicContact CD2-CD2 3.65Å; L15-F127 HydrophobicContact CD2-CE2 3.87Å; S117-F127 CarbonylContact C-O 3.54Å; S117-F127 WeakPolarHBondContact CA-O 3.46Å; S117-F127 WeakPolarHBondContact CB-O 3.3Å; A118-F127 PolarHBondContact N-O 3Å; A118-F127 PolarHBondContact O-N 2.97Å; A125-F127 HydrophobicContact CB-CE2 4.22Å; A125-F127 HydrophobicContact CB-CZ 4.39Å; F127-I130 HydrophobicContact CB-CD1 3.96Å; F127-I130 HydrophobicContact CB-CG1 4.17Å; F127-W137 HydrophobicContact CB-CH2 3.89Å; F127-W137 HydrophobicContact CB-CZ2 4.29Å; F127-W137 AromaticContact CD1-CH2 3.56Å; F127-W137 HydrophobicContact CD1-CH2 3.56Å; F127-W137 HydrophobicContact CD1-CZ2 4.12Å; F127-W137 HydrophobicContact CE1-CH2 4.21Å; F127-W137 AromaticContact CG-CH2 3.74Å; F127-W137 HydrophobicContact CG-CH2 3.74Å; F127-W137 HydrophobicContact CG-CZ2 4.45Å; F127-D139 HydrophobicContact CD1-CB 4.4Å; F127-D139 HydrophobicContact CE1-CB 4.16Å; F127-D141 HydrophobicContact CE2-CB 4.5Å; F127-D141 HydrophobicContact CZ-CB 3.96Å; F127-V148 HydrophobicContact CD1-CG2 4.5Å; F127-V148 HydrophobicContact CE1-CG2 3.85Å; F127-V148 HydrophobicContact CE2-CB 4.41Å; F127-V148 HydrophobicContact CE2-CG1 4.06Å; F127-V148 HydrophobicContact CE2-CG2 3.87Å; F127-V148 HydrophobicContact CZ-CB 4.43Å; F127-V148 HydrophobicContact CZ-CG1 4.2Å; F127-V148 HydrophobicContact CZ-CG2 3.51Å |
| 128 | D | 95.2 | Very high | 97.6 | Very high | 99 Ų | 99 | 60.7 Ų | 60.7 | 53% | 0.529 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 164.5 | 173.2 | -64.1 | -48.5 | 0 | 0 | 0 | 110 | S117 I130 | S117-D128 VanDerWaalsContact CB-OD1 3.3Å; S117-D128 WeakPolarHBondContact CB-OD1 3.3Å; D128-I130 VanDerWaalsContact C-N 3.27Å; D128-I130 PolarHBondContact O-N 2.85Å |
| 129 | D | 92.1 | Very high | 97.6 | Very high | 132 Ų | 132 | 64.6 Ų | 64.6 | 71% | 0.706 | 36% | 0.362 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 58.5 | 31.5 | 179.4 | -63.1 | -34.7 | 0 | 0 | 0 | 115.4 | W116 S131 | W116-D129 PolarHBondContact O-N 2.97Å; D129-S131 PolarHBondContact O-N 2.95Å |
| 130 | I | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 67.6 Ų | 67.6 | 0% | 0 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.5 | 130.6 | 171.5 | -64 | 175.6 | 0 | 0 | 0 | 109.4 | G115 W116 A118 F127 D128 L132 W137 I150 | G115-I130 PolarHBondContact N-O 2.84Å; W116-I130 HydrophobicContact CB-CB 3.87Å; W116-I130 HydrophobicContact CB-CG2 4.14Å; W116-I130 PolarHBondContact N-O 3.45Å; W116-I130 WeakPolarHBondContact O-CB 3.35Å; W116-I130 PolarHBondContact O-N 2.9Å; A118-I130 HydrophobicContact CB-CD1 3.67Å; F127-I130 HydrophobicContact CB-CD1 3.96Å; F127-I130 HydrophobicContact CB-CG1 4.17Å; D128-I130 VanDerWaalsContact C-N 3.27Å; D128-I130 PolarHBondContact O-N 2.85Å; I130-L132 HydrophobicContact CG2-CD2 4.23Å; I130-L132 HydrophobicContact CG2-CG 4.19Å; I130-W137 HydrophobicContact CD1-CE3 4.48Å; I130-W137 HydrophobicContact CD1-CH2 4.37Å; I130-W137 HydrophobicContact CD1-CZ2 4.44Å; I130-W137 HydrophobicContact CD1-CZ3 4.42Å; I130-W137 HydrophobicContact CG1-CD2 4.23Å; I130-W137 HydrophobicContact CG1-CH2 4.32Å; I130-W137 HydrophobicContact CG1-CZ2 3.91Å; I130-W137 HydrophobicContact CG2-CB 4.13Å; I130-W137 HydrophobicContact CG2-CD2 3.95Å; I130-W137 HydrophobicContact CG2-CG 3.74Å; I130-I150 HydrophobicContact CD1-CD1 4.17Å; I130-I150 HydrophobicContact CG2-CD1 3.86Å |
| 131 | S | 98.2 | Very high | 97.6 | Very high | 43 Ų | 43 | 67.3 Ų | 67.3 | 30% | 0.301 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 119.3 | 172.7 | 179.2 | 0 | 0 | 0 | 0 | 110.9 | D129 T133 | D129-S131 PolarHBondContact O-N 2.95Å; S131-T133 PolarHBondContact OG-N 2.95Å; S131-T133 PolarHBondContact OG-OG1 2.82Å; S131-T133 VanDerWaalsContact OG-OG1 3.05Å |
| 132 | L | 98.2 | Very high | 97.6 | Very high | 0 Ų | 0 | 71.1 Ų | 71.1 | 0% | 0 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 23 | 172.1 | -62.2 | 175.7 | 0 | 0 | 0 | 111.3 | L18 P112 R113 W116 I130 D134 E135 W137 I150 F153 | L18-L132 HydrophobicContact CD2-CD1 4.27Å; P112-L132 HydrophobicContact CB-CB 3.89Å; P112-L132 HydrophobicContact CB-CD1 4.24Å; P112-L132 HydrophobicContact CG-CB 3.64Å; P112-L132 WeakPolarHBondContact CG-O 3.25Å; R113-L132 WeakPolarHBondContact O-CA 3.24Å; R113-L132 PolarHBondContact O-N 3.28Å; W116-L132 HydrophobicContact CD2-CD1 4.16Å; W116-L132 HydrophobicContact CG-CD1 4.07Å; I130-L132 HydrophobicContact CG2-CD2 4.23Å; I130-L132 HydrophobicContact CG2-CG 4.19Å; L132-D134 PolarHBondContact O-N 3.36Å; L132-E135 PolarHBondContact O-N 3.2Å; L132-W137 HydrophobicContact CD2-CB 4.07Å; L132-I150 HydrophobicContact CD2-CB 4.06Å; L132-I150 HydrophobicContact CD2-CD1 4.01Å; L132-I150 HydrophobicContact CD2-CG2 3.81Å; L132-F153 HydrophobicContact CD1-CD2 4Å; L132-F153 HydrophobicContact CD1-CE2 3.88Å |
| 133 | T | 96.8 | Very high | 97.5 | Very high | 76 Ų | 76 | 73.5 Ų | 73.5 | 47% | 0.466 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -37.9 | 177.2 | -57.1 | 0 | 0 | 0 | 0 | 111.8 | S131 E135 | S131-T133 PolarHBondContact OG-N 2.95Å; S131-T133 PolarHBondContact OG-OG1 2.82Å; S131-T133 VanDerWaalsContact OG-OG1 3.05Å; T133-E135 VanDerWaalsContact C-N 3.34Å |
| 134 | D | 96.4 | Very high | 97.5 | Very high | 134 Ų | 134 | 73 Ų | 73 | 72% | 0.717 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.6 | 14 | 177 | -59.4 | -44.6 | 0 | 0 | 0 | 112.5 | L132 I136 | L132-D134 PolarHBondContact O-N 3.36Å; D134-I136 HydrophobicContact CB-CG2 4.3Å; D134-I136 PolarHBondContact O-N 3.01Å |
| 135 | E | 96.8 | Very high | 97.5 | Very high | 111 Ų | 111 | 74.9 Ų | 74.9 | 52% | 0.519 | 39% | 0.388 | S | S | . | . | S | Bend | trans | 60.7 | 12 | 178 | -61.7 | 175.8 | 166.8 | 0 | 0 | 114.7 | L132 T133 F153 | L132-E135 PolarHBondContact O-N 3.2Å; T133-E135 VanDerWaalsContact C-N 3.34Å; E135-F153 HydrophobicContact CB-CB 4.04Å; E135-F153 HydrophobicContact CG-CD1 4.37Å; E135-F153 VanDerWaalsContact O-CB 3.25Å; E135-F153 WeakPolarHBondContact O-CB 3.43Å |
| 136 | I | 97.9 | Very high | 97.6 | Very high | 90 Ų | 90 | 75 Ų | 75 | 46% | 0.462 | 39% | 0.388 | S | S | . | . | trans | -143.6 | 145.1 | 177.4 | -170 | 167.7 | 0 | 0 | 0 | 109.8 | D134 I150 Q151 | D134-I136 HydrophobicContact CB-CG2 4.3Å; D134-I136 PolarHBondContact O-N 3.01Å; I136-I150 WeakPolarHBondContact CA-O 3.35Å; I136-Q151 HydrophobicContact CD1-CG 4.24Å; I136-Q151 HydrophobicContact CG1-CG 4.18Å | ||
| 137 | W | 98.7 | Very high | 97.6 | Very high | 43 Ų | 43 | 76.1 Ų | 76.1 | 16% | 0.163 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 141.8 | 171.4 | -178.7 | 90.2 | 0 | 0 | 0 | 109.8 | L15 F127 I130 L132 D139 V148 S149 I150 | L15-W137 HydrophobicContact CD1-CE3 4.28Å; L15-W137 HydrophobicContact CD1-CZ3 3.85Å; F127-W137 HydrophobicContact CB-CH2 3.89Å; F127-W137 HydrophobicContact CB-CZ2 4.29Å; F127-W137 AromaticContact CD1-CH2 3.56Å; F127-W137 HydrophobicContact CD1-CH2 3.56Å; F127-W137 HydrophobicContact CD1-CZ2 4.12Å; F127-W137 HydrophobicContact CE1-CH2 4.21Å; F127-W137 AromaticContact CG-CH2 3.74Å; F127-W137 HydrophobicContact CG-CH2 3.74Å; F127-W137 HydrophobicContact CG-CZ2 4.45Å; I130-W137 HydrophobicContact CD1-CE3 4.48Å; I130-W137 HydrophobicContact CD1-CH2 4.37Å; I130-W137 HydrophobicContact CD1-CZ2 4.44Å; I130-W137 HydrophobicContact CD1-CZ3 4.42Å; I130-W137 HydrophobicContact CG1-CD2 4.23Å; I130-W137 HydrophobicContact CG1-CH2 4.32Å; I130-W137 HydrophobicContact CG1-CZ2 3.91Å; I130-W137 HydrophobicContact CG2-CB 4.13Å; I130-W137 HydrophobicContact CG2-CD2 3.95Å; I130-W137 HydrophobicContact CG2-CG 3.74Å; L132-W137 HydrophobicContact CD2-CB 4.07Å; W137-D139 HydrophobicContact CH2-CB 3.25Å; W137-D139 HydrophobicContact CZ2-CB 3.48Å; W137-D139 VanDerWaalsContact CZ2-CB 3.48Å; W137-D139 HydrophobicContact CZ3-CB 3.88Å; W137-V148 HydrophobicContact CH2-CG2 4.01Å; W137-V148 HydrophobicContact CZ3-CB 4.43Å; W137-V148 HydrophobicContact CZ3-CG2 3.83Å; W137-S149 CarbonylContact O-C 3.59Å; W137-S149 VanDerWaalsContact O-CA 3.24Å; W137-S149 WeakPolarHBondContact O-CA 3.34Å; W137-S149 WeakPolarHBondContact O-CB 3.32Å; W137-I150 HydrophobicContact CB-CB 4.49Å; W137-I150 HydrophobicContact CE3-CD1 4.41Å; W137-I150 HydrophobicContact CE3-CG1 4.45Å; W137-I150 PolarHBondContact N-O 3.03Å; W137-I150 PolarHBondContact O-N 2.9Å |
| 138 | C | 98.4 | Very high | 97.6 | Very high | 78 Ų | 78 | 75.1 Ų | 75.1 | 53% | 0.527 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 150.8 | 172.2 | 60.5 | 0 | 0 | 0 | 0 | 111 | V148 | C138-V148 CarbonylContact C-O 3.56Å; C138-V148 VanDerWaalsContact CA-O 3.3Å; C138-V148 WeakPolarHBondContact CA-O 3.2Å |
| 139 | D | 98.5 | Very high | 97.8 | Very high | 82 Ų | 82 | 70.5 Ų | 70.5 | 44% | 0.439 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.3 | -174.3 | 176.9 | -155.3 | -14.4 | 0 | 0 | 0 | 109.3 | F127 W137 V148 | F127-D139 HydrophobicContact CD1-CB 4.4Å; F127-D139 HydrophobicContact CE1-CB 4.16Å; W137-D139 HydrophobicContact CH2-CB 3.25Å; W137-D139 HydrophobicContact CZ2-CB 3.48Å; W137-D139 VanDerWaalsContact CZ2-CB 3.48Å; W137-D139 HydrophobicContact CZ3-CB 3.88Å; D139-V148 HydrophobicContact CB-CG2 3.84Å; D139-V148 PolarHBondContact N-O 2.8Å; D139-V148 WeakPolarHBondContact O-CG2 3.47Å; D139-V148 PolarHBondContact O-N 3.04Å; D139-V148 VanDerWaalsContact O-O 3.11Å |
| 140 | Y | 98.4 | Very high | 98.1 | Very high | 100 Ų | 100 | 64.2 Ų | 64.2 | 39% | 0.392 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 123.9 | 178.7 | -168 | -99.6 | 0 | 0 | 0 | 111.3 | E142 K145 | Y140-E142 HydrophobicContact CD1-CG 4.17Å; Y140-E142 PolarHBondContact O-N 2.9Å; Y140-E142 VanDerWaalsContact O-N 3.13Å; Y140-K145 VanDerWaalsContact OH-CA 3.29Å; Y140-K145 WeakPolarHBondContact OH-CA 3.2Å; Y140-K145 PolarHBondContact OH-O 3.36Å |
| 141 | D | 98.4 | Very high | 98.1 | Very high | 2 Ų | 2 | 67.2 Ų | 67.2 | 1% | 0.011 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 96.4 | 169.3 | -179.1 | -3.6 | 0 | 0 | 0 | 109.3 | S120 S123 F127 K143 G144 K145 C146 V148 | S120-D141 WeakPolarHBondContact CB-OD2 3.28Å; S120-D141 PolarHBondContact OG-OD2 2.84Å; S123-D141 WeakPolarHBondContact CB-OD2 3.3Å; S123-D141 PolarHBondContact OG-OD1 3.2Å; S123-D141 PolarHBondContact OG-OD2 3.06Å; F127-D141 HydrophobicContact CE2-CB 4.5Å; F127-D141 HydrophobicContact CZ-CB 3.96Å; D141-K143 PolarHBondContact O-N 2.84Å; D141-K143 PolarHBondContact OD1-N 3.08Å; D141-G144 CarbonylContact O-C 3.55Å; D141-G144 PolarHBondContact O-N 2.9Å; D141-G144 PolarHBondContact OD1-N 3.24Å; D141-G144 WeakPolarHBondContact OD2-CA 3.44Å; D141-G144 PolarHBondContact OD2-N 3.21Å; D141-K145 VanDerWaalsContact O-CA 3.31Å; D141-K145 WeakPolarHBondContact O-CA 3.46Å; D141-K145 PolarHBondContact O-N 2.53Å; D141-C146 PolarHBondContact N-O 3.3Å; D141-C146 PolarHBondContact O-N 2.63Å; D141-V148 HydrophobicContact CB-CG1 4.03Å |
| 142 | E | 98.1 | Very high | 98.1 | Very high | 144 Ų | 144 | 69.8 Ų | 69.8 | 67% | 0.673 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -33.4 | 177.9 | -69.2 | -65.8 | 169.8 | 0 | 0 | 113.3 | Y140 | Y140-E142 HydrophobicContact CD1-CG 4.17Å; Y140-E142 PolarHBondContact O-N 2.9Å; Y140-E142 VanDerWaalsContact O-N 3.13Å |
| 143 | K | 97.4 | Very high | 98.1 | Very high | 135 Ų | 135 | 70.2 Ų | 70.2 | 59% | 0.587 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.1 | -42.1 | -180 | -68.4 | -178.6 | 177.4 | 175.7 | 0 | 111 | D124 D141 K145 | D124-K143 WeakPolarHBondContact OD1-CD 3.46Å; D124-K143 WeakPolarHBondContact OD1-CE 3.44Å; D124-K143 IonicContact OD1-NZ 2.7Å; D124-K143 PolarHBondContact OD1-NZ 2.83Å; D124-K143 IonicContact OD2-NZ 3.03Å; D124-K143 PolarHBondContact OD2-NZ 3.35Å; D141-K143 PolarHBondContact O-N 2.84Å; D141-K143 PolarHBondContact OD1-N 3.08Å; K143-K145 VanDerWaalsContact C-N 3.3Å |
| 144 | G | 98.1 | Very high | 98.2 | Very high | 22 Ų | 22 | 71.8 Ų | 71.8 | 23% | 0.227 | 35% | 0.354 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | -16.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | D141 C146 | D141-G144 CarbonylContact O-C 3.55Å; D141-G144 PolarHBondContact O-N 2.9Å; D141-G144 PolarHBondContact OD1-N 3.24Å; D141-G144 WeakPolarHBondContact OD2-CA 3.44Å; D141-G144 PolarHBondContact OD2-N 3.21Å; G144-C146 VanDerWaalsContact C-N 3.28Å; G144-C146 PolarHBondContact O-N 3.02Å |
| 145 | K | 98.1 | Very high | 98.3 | Very high | 162 Ų | 162 | 67.5 Ų | 67.5 | 70% | 0.704 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.8 | 40.8 | -174.5 | -58.2 | -178.1 | 179 | 179.7 | 0 | 113 | Y140 D141 K143 | Y140-K145 VanDerWaalsContact OH-CA 3.29Å; Y140-K145 WeakPolarHBondContact OH-CA 3.2Å; Y140-K145 PolarHBondContact OH-O 3.36Å; D141-K145 VanDerWaalsContact O-CA 3.31Å; D141-K145 WeakPolarHBondContact O-CA 3.46Å; D141-K145 PolarHBondContact O-N 2.53Å; K143-K145 VanDerWaalsContact C-N 3.3Å |
| 146 | C | 98.4 | Very high | 98.4 | Very high | 22 Ų | 22 | 65.9 Ų | 65.9 | 15% | 0.149 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 149.7 | -178.5 | 61.4 | 0 | 0 | 0 | 0 | 111.6 | N122 D141 G144 | N122-C146 PolarHBondContact ND2-SG 3.26Å; D141-C146 PolarHBondContact N-O 3.3Å; D141-C146 PolarHBondContact O-N 2.63Å; G144-C146 VanDerWaalsContact C-N 3.28Å; G144-C146 PolarHBondContact O-N 3.02Å |
| 147 | E | 98.5 | Very high | 98.4 | Very high | 103 Ų | 103 | 63.7 Ų | 63.7 | 48% | 0.481 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.7 | 142.5 | 165.9 | -176.9 | -179.1 | 166.8 | 0 | 0 | 109.8 | N14 | N14-E147 WeakPolarHBondContact CB-O 3.33Å; N14-E147 PolarHBondContact ND2-O 3.01Å |
| 148 | V | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 139.7 | 170 | -71.2 | 0 | 0 | 0 | 0 | 109 | T13 N14 L15 F127 W137 C138 D139 D141 | T13-V148 VanDerWaalsContact O-CA 3.32Å; T13-V148 WeakPolarHBondContact O-CA 3.45Å; N14-V148 HydrophobicContact CB-CG1 3.85Å; L15-V148 HydrophobicContact CD1-CB 4.16Å; L15-V148 HydrophobicContact CD2-CB 3.82Å; L15-V148 HydrophobicContact CD2-CG1 3.85Å; L15-V148 HydrophobicContact CD2-CG2 4.42Å; L15-V148 HydrophobicContact CG-CB 3.77Å; L15-V148 HydrophobicContact CG-CG1 4.09Å; F127-V148 HydrophobicContact CD1-CG2 4.5Å; F127-V148 HydrophobicContact CE1-CG2 3.85Å; F127-V148 HydrophobicContact CE2-CB 4.41Å; F127-V148 HydrophobicContact CE2-CG1 4.06Å; F127-V148 HydrophobicContact CE2-CG2 3.87Å; F127-V148 HydrophobicContact CZ-CB 4.43Å; F127-V148 HydrophobicContact CZ-CG1 4.2Å; F127-V148 HydrophobicContact CZ-CG2 3.51Å; W137-V148 HydrophobicContact CH2-CG2 4.01Å; W137-V148 HydrophobicContact CZ3-CB 4.43Å; W137-V148 HydrophobicContact CZ3-CG2 3.83Å; C138-V148 CarbonylContact C-O 3.56Å; C138-V148 VanDerWaalsContact CA-O 3.3Å; C138-V148 WeakPolarHBondContact CA-O 3.2Å; D139-V148 HydrophobicContact CB-CG2 3.84Å; D139-V148 PolarHBondContact N-O 2.8Å; D139-V148 WeakPolarHBondContact O-CG2 3.47Å; D139-V148 PolarHBondContact O-N 3.04Å; D139-V148 VanDerWaalsContact O-O 3.11Å; D141-V148 HydrophobicContact CB-CG1 4.03Å |
| 149 | S | 98.7 | Very high | 98.2 | Very high | 2 Ų | 2 | 66.9 Ų | 66.9 | 1% | 0.014 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.4 | 158.1 | 179.3 | 68.5 | 0 | 0 | 0 | 0 | 114 | T13 W137 | T13-S149 VanDerWaalsContact CB-OG 3.28Å; T13-S149 WeakPolarHBondContact CB-OG 3.46Å; T13-S149 PolarHBondContact N-O 2.87Å; T13-S149 PolarHBondContact O-N 3.41Å; T13-S149 PolarHBondContact OG1-OG 3.13Å; W137-S149 CarbonylContact O-C 3.59Å; W137-S149 VanDerWaalsContact O-CA 3.24Å; W137-S149 WeakPolarHBondContact O-CA 3.34Å; W137-S149 WeakPolarHBondContact O-CB 3.32Å |
| 150 | I | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 117.8 | 170.2 | -55.5 | 167.5 | 0 | 0 | 0 | 106 | C10 E11 L12 L15 L18 I130 L132 I136 W137 | C10-I150 HydrophobicContact CB-CG2 3.89Å; E11-I150 WeakPolarHBondContact O-CA 3.23Å; L12-I150 HydrophobicContact CD2-CB 4.39Å; L12-I150 HydrophobicContact CD2-CG1 3.79Å; L12-I150 HydrophobicContact CD2-CG2 4.22Å; L15-I150 HydrophobicContact CD1-CD1 4.29Å; L15-I150 HydrophobicContact CD1-CG1 3.82Å; L18-I150 HydrophobicContact CD1-CD1 3.74Å; L18-I150 HydrophobicContact CD2-CD1 4.07Å; L18-I150 HydrophobicContact CD2-CG2 4.4Å; L18-I150 HydrophobicContact CG-CD1 4.48Å; I130-I150 HydrophobicContact CD1-CD1 4.17Å; I130-I150 HydrophobicContact CG2-CD1 3.86Å; L132-I150 HydrophobicContact CD2-CB 4.06Å; L132-I150 HydrophobicContact CD2-CD1 4.01Å; L132-I150 HydrophobicContact CD2-CG2 3.81Å; I136-I150 WeakPolarHBondContact CA-O 3.35Å; W137-I150 HydrophobicContact CB-CB 4.49Å; W137-I150 HydrophobicContact CE3-CD1 4.41Å; W137-I150 HydrophobicContact CE3-CG1 4.45Å; W137-I150 PolarHBondContact N-O 3.03Å; W137-I150 PolarHBondContact O-N 2.9Å |
| 151 | Q | 98.5 | Very high | 97.3 | Very high | 62 Ų | 62 | 70 Ų | 70 | 29% | 0.29 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 166.7 | -175.8 | -60.9 | -174.9 | -8.2 | 0 | 0 | 111.4 | C10 E11 I136 F153 | C10-Q151 WeakPolarHBondContact CA-O 3.3Å; C10-Q151 WeakPolarHBondContact CB-O 3.41Å; E11-Q151 HydrophobicContact CB-CB 4.43Å; E11-Q151 PolarHBondContact N-O 3.49Å; E11-Q151 PolarHBondContact O-N 2.78Å; I136-Q151 HydrophobicContact CD1-CG 4.24Å; I136-Q151 HydrophobicContact CG1-CG 4.18Å; Q151-F153 PolarHBondContact O-N 3.31Å; Q151-F153 VanDerWaalsContact O-N 3.15Å |
| 152 | N | 98 | Very high | 95.5 | Very high | 97 Ų | 97 | 77.5 Ų | 77.5 | 52% | 0.519 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 50.8 | 40.4 | 176.8 | -62.1 | -27.1 | 0 | 0 | 0 | 112.8 | E11 Q154 | E11-N152 HydrophobicContact CG-CB 4.45Å; E11-N152 PolarHBondContact OE1-ND2 2.7Å; E11-N152 PolarHBondContact OE2-ND2 2.85Å; E11-N152 VanDerWaalsContact OE2-ND2 3.15Å; N152-Q154 PolarHBondContact O-N 3Å |
| 153 | F | 98.7 | Very high | 95.3 | Very high | 9 Ų | 9 | 74.2 Ų | 74.2 | 4% | 0.039 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 129.2 | -179 | -174.4 | -82.2 | 0 | 0 | 0 | 110.3 | I8 S9 C10 F110 P112 L132 E135 Q151 | I8-F153 HydrophobicContact CB-CE2 3.98Å; I8-F153 HydrophobicContact CB-CZ 3.95Å; I8-F153 HydrophobicContact CD1-CE2 3.98Å; I8-F153 HydrophobicContact CG2-CE1 4.39Å; I8-F153 HydrophobicContact CG2-CE2 3.96Å; I8-F153 HydrophobicContact CG2-CZ 3.49Å; I8-F153 VanDerWaalsContact CG2-CZ 3.49Å; S9-F153 CarbonylContact O-C 3.46Å; S9-F153 WeakPolarHBondContact O-CA 3.2Å; C10-F153 HydrophobicContact CB-CB 4.39Å; C10-F153 HydrophobicContact CB-CD2 4.1Å; F110-F153 HydrophobicContact CE1-CZ 4.25Å; P112-F153 HydrophobicContact CB-CE1 4Å; P112-F153 HydrophobicContact CB-CE2 4.21Å; P112-F153 HydrophobicContact CB-CZ 3.62Å; P112-F153 HydrophobicContact CG-CD1 4.03Å; P112-F153 HydrophobicContact CG-CE1 3.5Å; P112-F153 HydrophobicContact CG-CE2 4.3Å; P112-F153 HydrophobicContact CG-CZ 3.65Å; L132-F153 HydrophobicContact CD1-CD2 4Å; L132-F153 HydrophobicContact CD1-CE2 3.88Å; E135-F153 HydrophobicContact CB-CB 4.04Å; E135-F153 HydrophobicContact CG-CD1 4.37Å; E135-F153 VanDerWaalsContact O-CB 3.25Å; E135-F153 WeakPolarHBondContact O-CB 3.43Å; Q151-F153 PolarHBondContact O-N 3.31Å; Q151-F153 VanDerWaalsContact O-N 3.15Å |
| 154 | Q | 98.4 | Very high | 95.2 | Very high | 110 Ų | 110 | 70.9 Ų | 70.9 | 51% | 0.514 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 148.4 | 175.4 | -64.2 | -178.3 | -21.8 | 0 | 0 | 108.8 | I8 S9 F94 N152 | I8-Q154 CarbonylContact C-O 3.53Å; I8-Q154 VanDerWaalsContact CA-O 3.27Å; I8-Q154 WeakPolarHBondContact CA-O 3Å; S9-Q154 PolarHBondContact N-O 3.01Å; S9-Q154 PolarHBondContact O-N 3.35Å; F94-Q154 HydrophobicContact CE1-CB 4.04Å; F94-Q154 HydrophobicContact CZ-CB 3.73Å; N152-Q154 PolarHBondContact O-N 3Å |
| 155 | S | 98.5 | Very high | 95.1 | Very high | 43 Ų | 43 | 73.7 Ų | 73.7 | 30% | 0.301 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 153.2 | 172.2 | 74.4 | 0 | 0 | 0 | 0 | 112 | Q7 F110 | Q7-S155 CarbonylContact O-C 3.54Å; Q7-S155 VanDerWaalsContact O-CA 3.26Å; Q7-S155 WeakPolarHBondContact O-CA 3.31Å; F110-S155 PolarHBondContact O-OG 3.21Å |
| 156 | Q | 98.3 | Very high | 94.9 | Very high | 77 Ų | 77 | 68.5 Ų | 68.5 | 36% | 0.36 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 151.5 | 170.2 | 65.2 | -179.8 | 9.2 | 0 | 0 | 111.3 | Q7 F94 I158 | Q7-Q156 HydrophobicContact CB-CG 3.86Å; Q7-Q156 HydrophobicContact CG-CG 4.44Å; Q7-Q156 PolarHBondContact N-O 2.96Å; Q7-Q156 PolarHBondContact O-N 3.44Å; F94-Q156 HydrophobicContact CD1-CG 3.77Å; F94-Q156 HydrophobicContact CE1-CB 4.31Å; F94-Q156 HydrophobicContact CE1-CG 3.8Å; F94-Q156 HydrophobicContact CG-CG 4.32Å; F94-Q156 HydrophobicContact CZ-CG 4.38Å; Q156-I158 HydrophobicContact CG-CG2 4.33Å |
| 157 | I | 98.4 | Very high | 94.7 | Very high | 45 Ų | 45 | 71.4 Ų | 71.4 | 23% | 0.231 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 124.9 | 174.6 | -52.8 | -58.5 | 0 | 0 | 0 | 108.6 | L4 G5 V6 L29 F107 F110 | L4-I157 HydrophobicContact CB-CG2 4.31Å; L4-I157 HydrophobicContact CD1-CG2 4.2Å; L4-I157 HydrophobicContact CD2-CG2 4.31Å; G5-I157 WeakPolarHBondContact O-CA 3.4Å; V6-I157 HydrophobicContact CB-CD1 4.44Å; V6-I157 HydrophobicContact CG2-CD1 3.66Å; L29-I157 HydrophobicContact CD2-CD1 4.24Å; F107-I157 HydrophobicContact CB-CD1 4.2Å; F107-I157 HydrophobicContact CB-CG1 4.07Å; F107-I157 HydrophobicContact CB-CG2 4.1Å; F110-I157 HydrophobicContact CB-CD1 4.1Å |
| 158 | I | 97.7 | Very high | 94.4 | Very high | 47 Ų | 47 | 69.3 Ų | 69.3 | 24% | 0.241 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 144.3 | 177 | 63.6 | 168 | 0 | 0 | 0 | 111.5 | L4 G5 Q7 Q156 L160 | L4-I158 CarbonylContact C-O 3.53Å; L4-I158 WeakPolarHBondContact CA-O 3.49Å; G5-I158 PolarHBondContact N-O 2.71Å; G5-I158 PolarHBondContact O-N 3.33Å; Q7-I158 HydrophobicContact CG-CD1 3.92Å; Q7-I158 HydrophobicContact CG-CG1 4.07Å; Q7-I158 HydrophobicContact CG-CG2 4.42Å; Q156-I158 HydrophobicContact CG-CG2 4.33Å; I158-L160 HydrophobicContact CD1-CD2 3.5Å; I158-L160 VanDerWaalsContact CD1-CD2 3.5Å; I158-L160 HydrophobicContact CG1-CD2 3.85Å; I158-L160 HydrophobicContact CG1-CG 4.49Å |
| 159 | K | 96.5 | Very high | 94.1 | Very high | 141 Ų | 141 | 74.2 Ų | 74.2 | 61% | 0.613 | 38% | 0.379 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81 | 118 | 167 | -67 | -176.6 | 179.6 | -179.7 | 0 | 108.4 | V2 L4 E106 | V2-K159 HydrophobicContact CG1-CD 4.47Å; V2-K159 HydrophobicContact CG1-CG 4.28Å; L4-K159 HydrophobicContact CD2-CB 4.43Å; L4-K159 HydrophobicContact CD2-CG 3.69Å; E106-K159 VanDerWaalsContact OE2-CE 3.26Å; E106-K159 WeakPolarHBondContact OE2-CE 3.29Å; E106-K159 IonicContact OE2-NZ 2.76Å; E106-K159 PolarHBondContact OE2-NZ 2.97Å |
| 160 | L | 94.9 | Very high | 93.8 | Very high | 43 Ų | 43 | 79.8 Ų | 79.8 | 23% | 0.225 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 138.2 | 177.9 | -59.6 | 174.2 | 0 | 0 | 0 | 109.4 | L3 K99 I158 | L3-L160 HydrophobicContact CB-CB 3.96Å; L3-L160 PolarHBondContact O-N 3.27Å; K99-L160 HydrophobicContact CB-CD1 4.16Å; K99-L160 HydrophobicContact CD-CD1 3.83Å; K99-L160 HydrophobicContact CG-CD1 3.74Å; I158-L160 HydrophobicContact CD1-CD2 3.5Å; I158-L160 VanDerWaalsContact CD1-CD2 3.5Å; I158-L160 HydrophobicContact CG1-CD2 3.85Å; I158-L160 HydrophobicContact CG1-CG 4.49Å |
| 161 | K | 82.8 | Confident | 93.4 | Very high | 204 Ų | 204 | 86.4 Ų | 86.4 | 89% | 0.887 | 44% | 0.441 | S | S | * | . | P | Polyproline II helix | trans | -75.3 | 134.7 | 169.4 | -66 | -176.5 | -178.1 | 178.4 | 0 | 108.6 | ||
| 162 | C | 59.5 | Low | 92.9 | Very high | 159 Ų | 159 | 88.6 Ų | 88.6 | 100% | 1.074 | 46% | 0.455 | S | S | * | . | trans | -70.1 | 0 | 164.3 | -57.4 | 0 | 0 | 0 | 0 | 110.5 |
Retrieved 162 of 162 residues in 42.5 ms
(Link to these results)