| 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 | 31.9 | Very low | 46.8 | Very low | 242 Ų | 242 | 86.9 Ų | 86.9 | 100% | 1.192 | 42% | 0.42 | S | S | * | . | 0 | 120.8 | 0 | -79.9 | 174 | -114.4 | 0 | 0 | 107.6 | Q3 | M1-Q3 PolarHBondContact O-N 3.23Š| |||
| 2 | K | 33.1 | Very low | 47.3 | Very low | 205 Ų | 205 | 81.6 Ų | 81.6 | 89% | 0.891 | 40% | 0.395 | S | S | * | . | trans | -69.3 | 109.8 | 169.4 | -82.8 | -179.5 | 175.6 | 178.7 | 0 | 106.4 | L4 | K2-L4 PolarHBondContact O-N 3.04Š| ||
| 3 | Q | 33.3 | Very low | 48.2 | Very low | 140 Ų | 140 | 75.5 Ų | 75.5 | 65% | 0.654 | 37% | 0.366 | S | S | * | . | trans | -64.7 | 103 | 173.2 | -158.9 | 165.7 | 7.2 | 0 | 0 | 106.3 | M1 Y5 | M1-Q3 PolarHBondContact O-N 3.23Å; Q3-Y5 HydrophobicContact CB-CE2 4.01Å; Q3-Y5 HydrophobicContact CG-CE1 4.25Å; Q3-Y5 HydrophobicContact CG-CE2 4.35Å; Q3-Y5 VanDerWaalsContact O-CD2 3.25Å; Q3-Y5 WeakPolarHBondContact O-CD2 3.47Å; Q3-Y5 PolarHBondContact O-N 3.3Å; Q3-Y5 VanDerWaalsContact O-N 3.1Å; Q3-Y5 PolarHBondContact OE1-OH 2.9Å | ||
| 4 | L | 36.2 | Very low | 48.7 | Very low | 142 Ų | 142 | 70.1 Ų | 70.1 | 74% | 0.743 | 34% | 0.34 | S | S | * | . | trans | -70.7 | 99.6 | 169.9 | -85.9 | 147.4 | 0 | 0 | 0 | 105.5 | K2 S6 | K2-L4 PolarHBondContact O-N 3.04Å; L4-S6 PolarHBondContact O-N 2.79Å; L4-S6 PolarHBondContact O-OG 3.41Å | ||
| 5 | Y | 45.9 | Very low | 49.4 | Very low | 79 Ų | 79 | 66.4 Ų | 66.4 | 31% | 0.31 | 32% | 0.322 | S | S | . | . | trans | -72.9 | 50.2 | 168.4 | -61.9 | -85.5 | 0 | 0 | 0 | 109.5 | Q3 T7 | Q3-Y5 HydrophobicContact CB-CE2 4.01Å; Q3-Y5 HydrophobicContact CG-CE1 4.25Å; Q3-Y5 HydrophobicContact CG-CE2 4.35Å; Q3-Y5 VanDerWaalsContact O-CD2 3.25Å; Q3-Y5 WeakPolarHBondContact O-CD2 3.47Å; Q3-Y5 PolarHBondContact O-N 3.3Å; Q3-Y5 VanDerWaalsContact O-N 3.1Å; Q3-Y5 PolarHBondContact OE1-OH 2.9Å; Y5-T7 PolarHBondContact O-N 2.5Å; Y5-T7 VanDerWaalsContact O-N 3.1Å | ||
| 6 | S | 49.1 | Very low | 49.8 | Very low | 45 Ų | 45 | 65.8 Ų | 65.8 | 32% | 0.315 | 32% | 0.32 | S | S | . | . | trans | -82 | 95.8 | -175.8 | 34 | 0 | 0 | 0 | 0 | 108.7 | L4 V8 | L4-S6 PolarHBondContact O-N 2.79Å; L4-S6 PolarHBondContact O-OG 3.41Å; S6-V8 PolarHBondContact O-N 2.9Å | ||
| 7 | T | 54.1 | Low | 50.4 | Low | 6 Ų | 6 | 63 Ų | 63 | 4% | 0.037 | 31% | 0.305 | C | S | . | . | trans | -49.1 | 134.2 | 151.1 | -46.7 | 0 | 0 | 0 | 0 | 107.2 | Y5 F33 Y34 Y35 T159 | Y5-T7 PolarHBondContact O-N 2.5Å; Y5-T7 VanDerWaalsContact O-N 3.1Å; T7-F33 HydrophobicContact CG2-CD2 4.49Å; T7-F33 HydrophobicContact CG2-CE2 3.87Å; T7-Y34 WeakPolarHBondContact CA-O 3.31Å; T7-Y35 HydrophobicContact CG2-CD2 3.93Å; T7-Y35 VanDerWaalsContact OG1-CD2 3.26Å; T7-Y35 WeakPolarHBondContact OG1-CD2 3.02Å; T7-Y35 WeakPolarHBondContact OG1-CE2 3.17Å; T7-T159 WeakPolarHBondContact O-CA 3.47Å | ||
| 8 | V | 53 | Low | 50.3 | Low | 31 Ų | 31 | 61.5 Ų | 61.5 | 19% | 0.188 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 106 | 169.3 | -170.1 | 0 | 0 | 0 | 0 | 105.8 | S6 F10 Y34 T157 F158 | S6-V8 PolarHBondContact O-N 2.9Å; V8-F10 HydrophobicContact CB-CE2 4.17Å; V8-F10 HydrophobicContact CG1-CD2 3.92Å; V8-F10 HydrophobicContact CG1-CE1 4.19Å; V8-F10 HydrophobicContact CG1-CE2 3.31Å; V8-F10 HydrophobicContact CG1-CZ 3.47Å; V8-F10 VanDerWaalsContact CG1-CZ 3.47Å; V8-Y34 PolarHBondContact N-O 2.93Å; V8-Y34 VanDerWaalsContact N-O 3.09Å; V8-Y34 PolarHBondContact O-N 2.6Å; V8-T157 HydrophobicContact CG1-CG2 3.35Å; V8-F158 WeakPolarHBondContact CA-O 3.35Å |
| 9 | L | 61 | Low | 50.4 | Low | 3 Ų | 3 | 63.5 Ų | 63.5 | 2% | 0.016 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 118.6 | 171.8 | 172.9 | 70.6 | 0 | 0 | 0 | 107.1 | I11 F33 F59 F92 V119 V121 F158 | L9-I11 HydrophobicContact CD1-CG1 4.38Å; L9-I11 HydrophobicContact CD2-CD1 3.57Å; L9-I11 HydrophobicContact CD2-CG1 3.99Å; L9-I11 HydrophobicContact CG-CD1 3.96Å; L9-I11 HydrophobicContact CG-CG1 3.79Å; L9-F33 HydrophobicContact CB-CD2 4.32Å; L9-F33 HydrophobicContact CD1-CB 3.92Å; L9-F33 HydrophobicContact CD1-CD2 4.04Å; L9-F33 HydrophobicContact CD1-CG 4.48Å; L9-F59 HydrophobicContact CD1-CE1 4.21Å; L9-F92 HydrophobicContact CD1-CE2 4.06Å; L9-F92 HydrophobicContact CD1-CZ 4.5Å; L9-V119 HydrophobicContact CD2-CB 4.38Å; L9-V119 HydrophobicContact CD2-CG1 3.28Å; L9-V121 HydrophobicContact CD2-CG2 4.4Å; L9-F158 HydrophobicContact CB-CB 4.21Å; L9-F158 HydrophobicContact CD2-CD2 4.3Å; L9-F158 PolarHBondContact N-O 3.18Å; L9-F158 PolarHBondContact O-N 2.97Å |
| 10 | F | 56.2 | Low | 50.6 | Low | 63 Ų | 63 | 68.3 Ų | 68.3 | 28% | 0.276 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 117.2 | 176 | -66.8 | -90 | 0 | 0 | 0 | 108.7 | V8 E31 S32 T157 | V8-F10 HydrophobicContact CB-CE2 4.17Å; V8-F10 HydrophobicContact CG1-CD2 3.92Å; V8-F10 HydrophobicContact CG1-CE1 4.19Å; V8-F10 HydrophobicContact CG1-CE2 3.31Å; V8-F10 HydrophobicContact CG1-CZ 3.47Å; V8-F10 VanDerWaalsContact CG1-CZ 3.47Å; F10-E31 HydrophobicContact CB-CB 4.09Å; F10-E31 PolarHBondContact O-N 2.85Å; F10-E31 VanDerWaalsContact O-N 3.08Å; F10-S32 WeakPolarHBondContact CD2-OG 3.49Å; F10-S32 PolarHBondContact N-O 3.1Å; F10-T157 HydrophobicContact CD1-CG2 4.37Å; F10-T157 HydrophobicContact CE1-CG2 4.13Å |
| 11 | I | 61 | Low | 51 | Low | 0 Ų | 0 | 69.4 Ų | 69.4 | 0% | 0 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 120.8 | 175.4 | -55.3 | -169.1 | 0 | 0 | 0 | 108.3 | L9 F13 V28 L30 V119 V156 F158 | L9-I11 HydrophobicContact CD1-CG1 4.38Å; L9-I11 HydrophobicContact CD2-CD1 3.57Å; L9-I11 HydrophobicContact CD2-CG1 3.99Å; L9-I11 HydrophobicContact CG-CD1 3.96Å; L9-I11 HydrophobicContact CG-CG1 3.79Å; I11-F13 HydrophobicContact CB-CD2 4.2Å; I11-F13 HydrophobicContact CB-CE2 3.66Å; I11-F13 HydrophobicContact CB-CZ 4.4Å; I11-F13 HydrophobicContact CG2-CD2 3.68Å; I11-F13 HydrophobicContact CG2-CE2 3.33Å; I11-F13 HydrophobicContact CG2-CG 4.38Å; I11-F13 HydrophobicContact CG2-CZ 3.82Å; I11-V28 HydrophobicContact CG2-CG1 3.3Å; I11-L30 HydrophobicContact CB-CD2 4.42Å; I11-L30 HydrophobicContact CD1-CD2 3.66Å; I11-L30 HydrophobicContact CG1-CD2 3.74Å; I11-L30 HydrophobicContact CG2-CD2 4.06Å; I11-V119 HydrophobicContact CD1-CB 4.36Å; I11-V119 HydrophobicContact CD1-CG1 4.13Å; I11-V119 HydrophobicContact CD1-CG2 3.56Å; I11-V156 PolarHBondContact N-O 2.93Å; I11-V156 PolarHBondContact O-N 2.92Å; I11-V156 VanDerWaalsContact O-O 3.12Å; I11-F158 HydrophobicContact CB-CD2 4.33Å; I11-F158 HydrophobicContact CB-CE2 4.06Å; I11-F158 HydrophobicContact CD1-CD2 3.57Å; I11-F158 HydrophobicContact CD1-CE2 3.44Å; I11-F158 VanDerWaalsContact CD1-CE2 3.44Å; I11-F158 HydrophobicContact CG1-CD2 3.83Å; I11-F158 HydrophobicContact CG1-CE2 3.9Å |
| 12 | L | 52.9 | Low | 52.7 | Low | 23 Ų | 23 | 61.4 Ų | 61.4 | 12% | 0.12 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 116.5 | 168.6 | -74.8 | 162.7 | 0 | 0 | 0 | 108.1 | E29 E31 W153 E155 | L12-E29 CarbonylContact C-O 3.53Å; L12-E29 WeakPolarHBondContact CA-O 3.33Å; L12-E29 HydrophobicContact CB-CB 3.99Å; L12-E29 HydrophobicContact CB-CG 4.5Å; L12-E29 PolarHBondContact N-O 3.26Å; L12-E29 CarbonylContact O-C 3.3Å; L12-E29 WeakPolarHBondContact O-CA 3.48Å; L12-E29 PolarHBondContact O-N 3.21Å; L12-E31 HydrophobicContact CD1-CB 4.29Å; L12-W153 HydrophobicContact CB-CE3 4.15Å; L12-W153 HydrophobicContact CB-CZ3 4.23Å; L12-E155 HydrophobicContact CD2-CB 3.85Å; L12-E155 HydrophobicContact CD2-CG 3.87Å |
| 13 | F | 59 | Low | 54.8 | Low | 3 Ų | 3 | 54.3 Ų | 54.3 | 1% | 0.013 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 125.3 | 177.5 | -73.2 | -101.6 | 0 | 0 | 0 | 109.7 | I11 V28 L117 I137 L139 W153 K154 V156 F158 | I11-F13 HydrophobicContact CB-CD2 4.2Å; I11-F13 HydrophobicContact CB-CE2 3.66Å; I11-F13 HydrophobicContact CB-CZ 4.4Å; I11-F13 HydrophobicContact CG2-CD2 3.68Å; I11-F13 HydrophobicContact CG2-CE2 3.33Å; I11-F13 HydrophobicContact CG2-CG 4.38Å; I11-F13 HydrophobicContact CG2-CZ 3.82Å; F13-V28 HydrophobicContact CD1-CG2 4.13Å; F13-V28 HydrophobicContact CE1-CG1 4.48Å; F13-V28 HydrophobicContact CE1-CG2 4.3Å; F13-L117 HydrophobicContact CD1-CD2 4.23Å; F13-L117 HydrophobicContact CE1-CB 3.58Å; F13-L117 HydrophobicContact CE1-CD2 3.15Å; F13-L117 HydrophobicContact CE1-CG 3.91Å; F13-L117 HydrophobicContact CZ-CB 4.09Å; F13-L117 HydrophobicContact CZ-CD2 3.37Å; F13-L117 HydrophobicContact CZ-CG 4.31Å; F13-I137 HydrophobicContact CE1-CG2 3.77Å; F13-I137 HydrophobicContact CE2-CG2 4.2Å; F13-I137 HydrophobicContact CZ-CG2 3.48Å; F13-I137 VanDerWaalsContact CZ-CG2 3.48Å; F13-L139 HydrophobicContact CD1-CD2 4.45Å; F13-L139 HydrophobicContact CE1-CD2 4.46Å; F13-W153 CarbonylContact O-C 3.56Å; F13-W153 WeakPolarHBondContact O-CA 3.25Å; F13-W153 VanDerWaalsContact O-CE3 3.31Å; F13-K154 HydrophobicContact CB-CB 4.44Å; F13-K154 WeakPolarHBondContact CB-O 3.41Å; F13-K154 PolarHBondContact N-O 2.84Å; F13-K154 PolarHBondContact O-N 3.15Å; F13-V156 HydrophobicContact CD2-CB 3.72Å; F13-V156 HydrophobicContact CD2-CG2 3.36Å; F13-V156 HydrophobicContact CE2-CB 3.52Å; F13-V156 HydrophobicContact CE2-CG1 4.05Å; F13-V156 HydrophobicContact CE2-CG2 3.55Å; F13-V156 HydrophobicContact CG-CG2 4.34Å; F13-F158 AromaticContact CE2-CE2 3.9Å; F13-F158 HydrophobicContact CE2-CE2 3.9Å; F13-F158 HydrophobicContact CE2-CZ 4.1Å; F13-F158 AromaticContact CZ-CE2 3.93Å; F13-F158 HydrophobicContact CZ-CE2 3.93Å; F13-F158 AromaticContact CZ-CZ 3.9Å; F13-F158 HydrophobicContact CZ-CZ 3.9Å |
| 14 | G | 54.9 | Low | 57 | Low | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 149.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111 | L27 K152 W153 | G14-L27 CarbonylContact C-O 3.45Å; G14-L27 PolarHBondContact N-O 3.19Å; G14-L27 CarbonylContact O-C 3.48Å; G14-L27 VanDerWaalsContact O-CA 3.32Å; G14-L27 WeakPolarHBondContact O-CA 3.3Å; G14-L27 WeakPolarHBondContact O-CB 3.48Å; G14-L27 PolarHBondContact O-N 3.23Å; G14-K152 CarbonylContact C-O 3.46Å; G14-K152 WeakPolarHBondContact CA-O 3.3Å; G14-W153 VanDerWaalsContact CA-CZ3 3.48Å; G14-W153 VanDerWaalsContact N-CZ3 3.28Å |
| 15 | I | 59.1 | Low | 59.3 | Low | 14 Ų | 14 | 43 Ų | 43 | 7% | 0.072 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 133.1 | 174.7 | -62.9 | 134.7 | 0 | 0 | 0 | 110.4 | Y17 V24 I26 W141 L142 E151 K152 | I15-Y17 HydrophobicContact CG2-CD1 4.4Å; I15-V24 HydrophobicContact CG2-CG1 4.11Å; I15-I26 HydrophobicContact CG1-CG2 4.5Å; I15-W141 HydrophobicContact CD1-CH2 3.75Å; I15-W141 HydrophobicContact CD1-CZ3 3.96Å; I15-L142 HydrophobicContact CD1-CB 4.49Å; I15-L142 HydrophobicContact CD1-CD1 3.35Å; I15-L142 HydrophobicContact CD1-CD2 3.1Å; I15-L142 HydrophobicContact CD1-CG 3.76Å; I15-L142 HydrophobicContact CG1-CD1 3.57Å; I15-L142 HydrophobicContact CG1-CD2 4.21Å; I15-L142 HydrophobicContact CG1-CG 4.5Å; I15-E151 VanDerWaalsContact O-CA 3.3Å; I15-E151 WeakPolarHBondContact O-CA 3.44Å; I15-K152 PolarHBondContact N-O 3.38Å |
| 16 | I | 56.6 | Low | 61.1 | Low | 56 Ų | 56 | 39.3 Ų | 39.3 | 29% | 0.287 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 98.4 | 165.8 | -55.2 | -178.4 | 0 | 0 | 0 | 107.2 | T25 L27 | I16-T25 CarbonylContact C-O 3.56Å; I16-T25 VanDerWaalsContact C-O 3.3Å; I16-T25 PolarHBondContact N-O 3.01Å; I16-T25 CarbonylContact O-C 3.58Å; I16-T25 WeakPolarHBondContact O-CA 3.48Å; I16-T25 WeakPolarHBondContact O-CB 3.45Å; I16-T25 PolarHBondContact O-N 2.82Å; I16-L27 HydrophobicContact CD1-CD1 3.33Å; I16-L27 HydrophobicContact CD1-CG 3.99Å; I16-L27 HydrophobicContact CG1-CD1 3.73Å; I16-L27 HydrophobicContact CG1-CG 4.07Å |
| 17 | Y | 58.8 | Low | 62.9 | Low | 19 Ų | 19 | 38 Ų | 38 | 8% | 0.075 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 154.9 | 177.3 | 53.2 | -74.2 | 0 | 0 | 0 | 110.1 | I15 N148 Q149 T150 | I15-Y17 HydrophobicContact CG2-CD1 4.4Å; Y17-N148 WeakPolarHBondContact CD2-O 3.14Å; Y17-N148 WeakPolarHBondContact CE2-O 3.46Å; Y17-Q149 HydrophobicContact CE2-CB 3.78Å; Y17-Q149 HydrophobicContact CE2-CG 3.44Å; Y17-Q149 VanDerWaalsContact CE2-CG 3.44Å; Y17-Q149 WeakPolarHBondContact OH-CA 3.18Å; Y17-Q149 WeakPolarHBondContact OH-CB 3.17Å; Y17-Q149 WeakPolarHBondContact OH-CG 2.82Å; Y17-T150 VanDerWaalsContact CD1-C 3.45Å; Y17-T150 WeakPolarHBondContact CD1-O 3.44Å; Y17-T150 WeakPolarHBondContact CD1-OG1 3.45Å; Y17-T150 WeakPolarHBondContact CE1-O 3.4Å; Y17-T150 VanDerWaalsContact CE2-N 3.31Å; Y17-T150 PolarHBondContact OH-N 3.32Å |
| 18 | S | 50 | Low | 64.5 | Low | 36 Ų | 36 | 37.7 Ų | 37.7 | 25% | 0.252 | 20% | 0.203 | S | C | . | . | trans | -90.1 | 140.6 | -176.8 | -179.2 | 0 | 0 | 0 | 0 | 112.2 | K20 N23 | S18-K20 PolarHBondContact O-N 2.83Å; S18-K20 PolarHBondContact OG-N 3.1Å; S18-K20 PolarHBondContact OG-O 3.48Å; S18-N23 WeakPolarHBondContact CB-O 3.34Å | ||
| 19 | I | 51.2 | Low | 66.3 | Low | 99 Ų | 99 | 38.6 Ų | 38.6 | 51% | 0.508 | 21% | 0.205 | S | C | . | . | S | Bend | trans | -73.1 | -11.2 | 176 | -61.2 | 157.4 | 0 | 0 | 0 | 112.2 | Q149 | I19-Q149 HydrophobicContact CD1-CG 3.81Å; I19-Q149 HydrophobicContact CG1-CG 3.61Å |
| 20 | K | 54.8 | Low | 67.7 | Low | 160 Ų | 160 | 38.5 Ų | 38.5 | 70% | 0.696 | 21% | 0.205 | S | C | * | . | S | Bend | trans | -140.2 | 123.4 | -177 | -65.4 | -178.2 | -178.9 | 176.3 | 0 | 110.3 | S18 | S18-K20 PolarHBondContact O-N 2.83Å; S18-K20 PolarHBondContact OG-N 3.1Å; S18-K20 PolarHBondContact OG-O 3.48Å |
| 21 | S | 59.1 | Low | 69.2 | Low | 91 Ų | 91 | 39.6 Ų | 39.6 | 64% | 0.636 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.9 | 94.8 | 160.3 | 60.9 | 0 | 0 | 0 | 0 | 116.3 | N23 | S21-N23 PolarHBondContact O-N 2.99Š|
| 22 | T | 67.8 | Low | 70.5 | Confident | 75 Ų | 75 | 40.9 Ų | 40.9 | 46% | 0.46 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 45.2 | 1.2 | 161.9 | 63.1 | 0 | 0 | 0 | 0 | 119.5 | N110 W111 | T22-N110 WeakPolarHBondContact O-CA 3.29Å; T22-N110 PolarHBondContact O-N 3.37Å; T22-N110 PolarHBondContact OG1-OD1 3.4Å; T22-W111 WeakPolarHBondContact O-CB 3.16Å; T22-W111 PolarHBondContact O-N 2.72Å |
| 23 | N | 76.5 | Confident | 72.2 | Confident | 56 Ų | 56 | 39.9 Ų | 39.9 | 30% | 0.299 | 21% | 0.214 | S | C | . | . | trans | -88.2 | 141.8 | 179.6 | -67.4 | -23.7 | 0 | 0 | 0 | 108.3 | S18 S21 V108 S109 | S18-N23 WeakPolarHBondContact CB-O 3.34Å; S21-N23 PolarHBondContact O-N 2.99Å; N23-V108 CarbonylContact C-O 3.55Å; N23-V108 WeakPolarHBondContact CA-O 3.25Å; N23-S109 VanDerWaalsContact OD1-CA 3.25Å; N23-S109 WeakPolarHBondContact OD1-CA 3.33Å; N23-S109 WeakPolarHBondContact OD1-CB 3.1Å; N23-S109 PolarHBondContact OD1-OG 3Å | ||
| 24 | V | 79.4 | Confident | 73.7 | Confident | 3 Ų | 3 | 44 Ų | 44 | 2% | 0.018 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 136.1 | -179.8 | 176.9 | 0 | 0 | 0 | 0 | 109 | I15 I26 V108 W111 P145 | I15-V24 HydrophobicContact CG2-CG1 4.11Å; V24-I26 HydrophobicContact CG1-CG1 4.05Å; V24-V108 HydrophobicContact CB-CB 4.5Å; V24-V108 PolarHBondContact N-O 2.97Å; V24-V108 PolarHBondContact O-N 2.9Å; V24-W111 HydrophobicContact CB-CD2 4.35Å; V24-W111 HydrophobicContact CB-CE3 3.62Å; V24-W111 HydrophobicContact CB-CZ3 4.28Å; V24-W111 HydrophobicContact CG1-CE3 3.81Å; V24-W111 HydrophobicContact CG1-CZ3 4.02Å; V24-W111 HydrophobicContact CG2-CB 3.73Å; V24-W111 HydrophobicContact CG2-CD2 3.81Å; V24-W111 HydrophobicContact CG2-CE3 3.59Å; V24-W111 HydrophobicContact CG2-CG 3.85Å; V24-P145 HydrophobicContact CG2-CB 4.23Å; V24-P145 HydrophobicContact CG2-CG 3.12Å |
| 25 | T | 84 | Confident | 75.2 | Confident | 40 Ų | 40 | 44.2 Ų | 44.2 | 25% | 0.245 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 121 | 168.3 | -56.4 | 0 | 0 | 0 | 0 | 108.6 | I16 L27 V105 F106 | I16-T25 CarbonylContact C-O 3.56Å; I16-T25 VanDerWaalsContact C-O 3.3Å; I16-T25 PolarHBondContact N-O 3.01Å; I16-T25 CarbonylContact O-C 3.58Å; I16-T25 WeakPolarHBondContact O-CA 3.48Å; I16-T25 WeakPolarHBondContact O-CB 3.45Å; I16-T25 PolarHBondContact O-N 2.82Å; T25-L27 HydrophobicContact CG2-CD2 4.16Å; T25-V105 HydrophobicContact CG2-CG1 3.54Å; T25-F106 CarbonylContact C-O 3.45Å; T25-F106 WeakPolarHBondContact CA-O 3.2Å |
| 26 | I | 84.3 | Confident | 76.5 | Confident | 2 Ų | 2 | 45.7 Ų | 45.7 | 1% | 0.01 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 123 | 174.6 | -46.8 | 173.4 | 0 | 0 | 0 | 106.7 | I15 V24 V28 L63 F106 V108 W111 L139 | I15-I26 HydrophobicContact CG1-CG2 4.5Å; V24-I26 HydrophobicContact CG1-CG1 4.05Å; I26-V28 HydrophobicContact CG2-CG2 4.4Å; I26-L63 HydrophobicContact CD1-CD1 3.91Å; I26-L63 HydrophobicContact CD1-CD2 4.05Å; I26-F106 HydrophobicContact CB-CB 4.22Å; I26-F106 PolarHBondContact N-O 2.94Å; I26-F106 PolarHBondContact O-N 2.82Å; I26-V108 HydrophobicContact CD1-CG2 4Å; I26-W111 HydrophobicContact CD1-CH2 4.38Å; I26-W111 HydrophobicContact CD1-CZ3 3.77Å; I26-W111 HydrophobicContact CG1-CZ3 4.27Å; I26-L139 HydrophobicContact CD1-CD1 3.77Å |
| 27 | L | 87.4 | Confident | 77.9 | Confident | 18 Ų | 18 | 43.6 Ų | 43.6 | 9% | 0.094 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 138.5 | 172.2 | -61.9 | -172.4 | 0 | 0 | 0 | 110.1 | G14 I16 T25 P103 L104 V105 W153 | G14-L27 CarbonylContact C-O 3.45Å; G14-L27 PolarHBondContact N-O 3.19Å; G14-L27 CarbonylContact O-C 3.48Å; G14-L27 VanDerWaalsContact O-CA 3.32Å; G14-L27 WeakPolarHBondContact O-CA 3.3Å; G14-L27 WeakPolarHBondContact O-CB 3.48Å; G14-L27 PolarHBondContact O-N 3.23Å; I16-L27 HydrophobicContact CD1-CD1 3.33Å; I16-L27 HydrophobicContact CD1-CG 3.99Å; I16-L27 HydrophobicContact CG1-CD1 3.73Å; I16-L27 HydrophobicContact CG1-CG 4.07Å; T25-L27 HydrophobicContact CG2-CD2 4.16Å; L27-P103 HydrophobicContact CB-CB 4.23Å; L27-P103 HydrophobicContact CB-CG 4.5Å; L27-P103 HydrophobicContact CD1-CG 4.24Å; L27-P103 HydrophobicContact CD2-CG 4.36Å; L27-L104 CarbonylContact C-O 3.42Å; L27-L104 VanDerWaalsContact CA-O 3.31Å; L27-L104 WeakPolarHBondContact CA-O 3.46Å; L27-V105 HydrophobicContact CD2-CB 4.3Å; L27-V105 HydrophobicContact CD2-CG1 4.14Å; L27-V105 HydrophobicContact CD2-CG2 3.77Å; L27-W153 HydrophobicContact CB-CH2 4.2Å; L27-W153 HydrophobicContact CD1-CH2 4.48Å; L27-W153 HydrophobicContact CD1-CZ2 4.35Å |
| 28 | V | 88.3 | Confident | 79.4 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 102.2 | 174.9 | -177 | 0 | 0 | 0 | 0 | 107.5 | I11 F13 I26 L30 P103 L104 F106 L117 | I11-V28 HydrophobicContact CG2-CG1 3.3Å; F13-V28 HydrophobicContact CD1-CG2 4.13Å; F13-V28 HydrophobicContact CE1-CG1 4.48Å; F13-V28 HydrophobicContact CE1-CG2 4.3Å; I26-V28 HydrophobicContact CG2-CG2 4.4Å; V28-L30 HydrophobicContact CG1-CD2 4.29Å; V28-P103 CarbonylContact O-C 3.54Å; V28-P103 WeakPolarHBondContact O-CA 3.14Å; V28-L104 HydrophobicContact CB-CB 4.22Å; V28-L104 PolarHBondContact N-O 3.14Å; V28-L104 PolarHBondContact O-N 3.11Å; V28-F106 HydrophobicContact CB-CE2 4.22Å; V28-F106 HydrophobicContact CG2-CD2 3.92Å; V28-F106 HydrophobicContact CG2-CE2 3.68Å; V28-L117 HydrophobicContact CB-CD2 4.45Å; V28-L117 HydrophobicContact CG1-CD2 3.77Å; V28-L117 HydrophobicContact CG2-CD1 4.17Å; V28-L117 HydrophobicContact CG2-CD2 3.86Å |
| 29 | E | 89.3 | Confident | 81.2 | Confident | 49 Ų | 49 | 45.1 Ų | 45.1 | 23% | 0.229 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 120.9 | 175.2 | -173.1 | 178.3 | -171.5 | 0 | 0 | 108.6 | L12 N102 P103 W153 R172 | L12-E29 CarbonylContact C-O 3.53Å; L12-E29 WeakPolarHBondContact CA-O 3.33Å; L12-E29 HydrophobicContact CB-CB 3.99Å; L12-E29 HydrophobicContact CB-CG 4.5Å; L12-E29 PolarHBondContact N-O 3.26Å; L12-E29 CarbonylContact O-C 3.3Å; L12-E29 WeakPolarHBondContact O-CA 3.48Å; L12-E29 PolarHBondContact O-N 3.21Å; E29-N102 WeakPolarHBondContact CA-OD1 3.47Å; E29-P103 HydrophobicContact CB-CB 4.07Å; E29-W153 HydrophobicContact CB-CH2 3.96Å; E29-W153 HydrophobicContact CB-CZ3 3.62Å; E29-R172 IonicContact OE2-NH1 3.49Å |
| 30 | L | 90 | Very high | 82.9 | Confident | 2 Ų | 2 | 40.6 Ų | 40.6 | 1% | 0.01 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 130.2 | 173.9 | -55.9 | 177.3 | 0 | 0 | 0 | 107.7 | I11 V28 F77 F92 L96 N102 L104 | I11-L30 HydrophobicContact CB-CD2 4.42Å; I11-L30 HydrophobicContact CD1-CD2 3.66Å; I11-L30 HydrophobicContact CG1-CD2 3.74Å; I11-L30 HydrophobicContact CG2-CD2 4.06Å; V28-L30 HydrophobicContact CG1-CD2 4.29Å; L30-F77 HydrophobicContact CD1-CE1 4.05Å; L30-F77 HydrophobicContact CD1-CE2 4.15Å; L30-F77 HydrophobicContact CD1-CZ 3.32Å; L30-F92 HydrophobicContact CB-CB 4.16Å; L30-F92 HydrophobicContact CB-CD1 4.48Å; L30-F92 HydrophobicContact CB-CD2 3.46Å; L30-F92 VanDerWaalsContact CB-CD2 3.46Å; L30-F92 HydrophobicContact CB-CE2 3.88Å; L30-F92 HydrophobicContact CB-CG 3.79Å; L30-F92 HydrophobicContact CD1-CE1 4.5Å; L30-F92 HydrophobicContact CD1-CZ 4.46Å; L30-F92 WeakPolarHBondContact O-CB 3.43Å; L30-L96 HydrophobicContact CD1-CD1 3.84Å; L30-L96 HydrophobicContact CD1-CD2 4.43Å; L30-N102 PolarHBondContact N-OD1 2.88Å; L30-N102 PolarHBondContact O-ND2 3.22Å; L30-L104 HydrophobicContact CD1-CD1 4.44Å |
| 31 | E | 87.9 | Confident | 84.2 | Confident | 86 Ų | 86 | 36 Ų | 36 | 40% | 0.402 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | -58.3 | -177.2 | -176.9 | 179.6 | -179.2 | 0 | 0 | 110.8 | F10 L12 F92 | F10-E31 HydrophobicContact CB-CB 4.09Å; F10-E31 PolarHBondContact O-N 2.85Å; F10-E31 VanDerWaalsContact O-N 3.08Å; L12-E31 HydrophobicContact CD1-CB 4.29Å; E31-F92 PolarHBondContact O-N 2.81Å |
| 32 | S | 89.2 | Confident | 85.3 | Confident | 27 Ų | 27 | 38.7 Ų | 38.7 | 19% | 0.189 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.2 | 155.3 | 179.4 | 62.9 | 0 | 0 | 0 | 0 | 112.9 | F10 I90 | F10-S32 WeakPolarHBondContact CD2-OG 3.49Å; F10-S32 PolarHBondContact N-O 3.1Å; S32-I90 CarbonylContact C-O 3.59Å; S32-I90 WeakPolarHBondContact CA-O 3.26Å; S32-I90 WeakPolarHBondContact CB-O 3.37Å |
| 33 | F | 89.3 | Confident | 86.1 | Confident | 1 Ų | 1 | 40.8 Ų | 40.8 | 0% | 0.004 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 134.4 | 174.2 | 169.2 | -99.6 | 0 | 0 | 0 | 109.9 | T7 L9 Y35 P57 F59 T89 I90 F92 V121 L132 | T7-F33 HydrophobicContact CG2-CD2 4.49Å; T7-F33 HydrophobicContact CG2-CE2 3.87Å; L9-F33 HydrophobicContact CB-CD2 4.32Å; L9-F33 HydrophobicContact CD1-CB 3.92Å; L9-F33 HydrophobicContact CD1-CD2 4.04Å; L9-F33 HydrophobicContact CD1-CG 4.48Å; F33-Y35 HydrophobicContact CZ-CD2 4.28Å; F33-Y35 HydrophobicContact CZ-CG 4.08Å; F33-P57 HydrophobicContact CD1-CB 4.28Å; F33-P57 HydrophobicContact CD1-CG 4.1Å; F33-P57 HydrophobicContact CE1-CB 3.59Å; F33-P57 HydrophobicContact CE1-CG 3.62Å; F33-P57 HydrophobicContact CZ-CB 3.76Å; F33-P57 HydrophobicContact CZ-CG 4.31Å; F33-F59 HydrophobicContact CB-CE1 4.14Å; F33-F59 HydrophobicContact CB-CZ 3.95Å; F33-F59 AromaticContact CD1-CZ 3.97Å; F33-F59 HydrophobicContact CD1-CZ 3.97Å; F33-F59 AromaticContact CD2-CE1 3.69Å; F33-F59 HydrophobicContact CD2-CE1 3.69Å; F33-F59 AromaticContact CD2-CZ 3.96Å; F33-F59 HydrophobicContact CD2-CZ 3.96Å; F33-F59 HydrophobicContact CE1-CZ 4.41Å; F33-F59 HydrophobicContact CE2-CE1 4.13Å; F33-F59 HydrophobicContact CE2-CZ 4.39Å; F33-F59 AromaticContact CG-CE1 3.87Å; F33-F59 HydrophobicContact CG-CE1 3.87Å; F33-F59 AromaticContact CG-CZ 3.69Å; F33-F59 HydrophobicContact CG-CZ 3.69Å; F33-T89 CarbonylContact O-C 3.38Å; F33-T89 VanDerWaalsContact O-CA 3.3Å; F33-T89 WeakPolarHBondContact O-CA 3.15Å; F33-I90 HydrophobicContact CB-CB 4.25Å; F33-I90 HydrophobicContact CD1-CD1 4.01Å; F33-I90 HydrophobicContact CD1-CG1 4.34Å; F33-I90 PolarHBondContact N-O 3.38Å; F33-I90 PolarHBondContact O-N 2.72Å; F33-F92 HydrophobicContact CB-CE2 3.92Å; F33-F92 HydrophobicContact CB-CZ 3.96Å; F33-V121 HydrophobicContact CE2-CB 4.39Å; F33-V121 HydrophobicContact CE2-CG1 3.87Å; F33-V121 HydrophobicContact CE2-CG2 4.19Å; F33-V121 HydrophobicContact CZ-CG1 3.97Å; F33-L132 HydrophobicContact CZ-CD1 4.47Å |
| 34 | Y | 88.8 | Confident | 86.6 | Confident | 91 Ų | 91 | 43.3 Ų | 43.3 | 36% | 0.357 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 124.6 | 173.7 | -178.5 | -117.7 | 0 | 0 | 0 | 111.7 | T7 V8 P36 Q88 T89 | T7-Y34 WeakPolarHBondContact CA-O 3.31Å; V8-Y34 PolarHBondContact N-O 2.93Å; V8-Y34 VanDerWaalsContact N-O 3.09Å; V8-Y34 PolarHBondContact O-N 2.6Å; Y34-P36 HydrophobicContact CD1-CG 4.32Å; Y34-P36 HydrophobicContact CE1-CB 3.92Å; Y34-P36 HydrophobicContact CE1-CG 3.67Å; Y34-P36 HydrophobicContact CE2-CB 4.38Å; Y34-Q88 WeakPolarHBondContact CA-O 2.86Å; Y34-Q88 HydrophobicContact CD2-CG 4.22Å; Y34-Q88 HydrophobicContact CE2-CG 3.78Å; Y34-T89 WeakPolarHBondContact CD2-OG1 3Å |
| 35 | Y | 87.6 | Confident | 87 | Confident | 4 Ų | 4 | 48 Ų | 48 | 2% | 0.016 | 22% | 0.221 | C | C | . | . | trans | -136.7 | 93.1 | 176 | -162.8 | -99 | 0 | 0 | 0 | 110.8 | T7 F33 S37 T39 C55 Q88 L132 | T7-Y35 HydrophobicContact CG2-CD2 3.93Å; T7-Y35 VanDerWaalsContact OG1-CD2 3.26Å; T7-Y35 WeakPolarHBondContact OG1-CD2 3.02Å; T7-Y35 WeakPolarHBondContact OG1-CE2 3.17Å; F33-Y35 HydrophobicContact CZ-CD2 4.28Å; F33-Y35 HydrophobicContact CZ-CG 4.08Å; Y35-S37 WeakPolarHBondContact CD1-O 2.88Å; Y35-S37 VanDerWaalsContact CE1-CB 3.5Å; Y35-S37 VanDerWaalsContact CE1-O 3.29Å; Y35-S37 WeakPolarHBondContact CE1-O 2.9Å; Y35-S37 PolarHBondContact O-N 3.34Å; Y35-T39 PolarHBondContact OH-O 3.29Å; Y35-C55 HydrophobicContact CD1-CB 4.38Å; Y35-C55 WeakPolarHBondContact CE1-SG 2.91Å; Y35-Q88 PolarHBondContact N-O 3.21Å; Y35-L132 HydrophobicContact CD1-CD1 4.41Å; Y35-L132 HydrophobicContact CD2-CB 4.32Å; Y35-L132 HydrophobicContact CE1-CD1 4.43Å; Y35-L132 HydrophobicContact CE1-CD2 3.82Å; Y35-L132 HydrophobicContact CE1-CG 4.5Å; Y35-L132 HydrophobicContact CE2-CB 3.82Å; Y35-L132 HydrophobicContact CE2-CD2 4.48Å | ||
| 36 | P | 85.6 | Confident | 87.3 | Confident | 44 Ų | 44 | 46.2 Ų | 46.2 | 29% | 0.286 | 21% | 0.209 | S | C | . | . | trans | -74.8 | -13.3 | -176.4 | 27.7 | -32.6 | 0 | 0 | 0 | 114.1 | Y34 | Y34-P36 HydrophobicContact CD1-CG 4.32Å; Y34-P36 HydrophobicContact CE1-CB 3.92Å; Y34-P36 HydrophobicContact CE1-CG 3.67Å; Y34-P36 HydrophobicContact CE2-CB 4.38Å | ||
| 37 | S | 86.9 | Confident | 87.3 | Confident | 13 Ų | 13 | 46.7 Ų | 46.7 | 9% | 0.091 | 21% | 0.212 | C | C | . | . | trans | -79.3 | 144 | -177.4 | -179.6 | 0 | 0 | 0 | 0 | 110.7 | Y35 T39 | Y35-S37 WeakPolarHBondContact CD1-O 2.88Å; Y35-S37 VanDerWaalsContact CE1-CB 3.5Å; Y35-S37 VanDerWaalsContact CE1-O 3.29Å; Y35-S37 WeakPolarHBondContact CE1-O 2.9Å; Y35-S37 PolarHBondContact O-N 3.34Å; S37-T39 VanDerWaalsContact C-N 3.33Å; S37-T39 PolarHBondContact OG-N 3.29Å; S37-T39 VanDerWaalsContact OG-N 3.11Å; S37-T39 PolarHBondContact OG-O 3.42Å; S37-T39 PolarHBondContact OG-OG1 2.78Å; S37-T39 VanDerWaalsContact OG-OG1 3.08Å | ||
| 38 | K | 90.7 | Very high | 86.9 | Confident | 69 Ų | 69 | 50.8 Ų | 50.8 | 30% | 0.3 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -98.3 | 6.8 | 170.8 | -61.6 | -178.5 | 177.3 | -167.7 | 0 | 112.1 | W45 C46 H52 E53 Y54 | K38-W45 HydrophobicContact CB-CE3 4.28Å; K38-W45 HydrophobicContact CB-CZ3 4.02Å; K38-C46 PolarHBondContact O-N 2.01Å; K38-H52 VanDerWaalsContact CD-O 3.3Å; K38-H52 WeakPolarHBondContact CD-O 3.29Å; K38-H52 WeakPolarHBondContact CE-O 3.28Å; K38-H52 PolarHBondContact NZ-O 2.64Å; K38-E53 WeakPolarHBondContact CB-O 3.44Å; K38-Y54 HydrophobicContact CG-CD1 3.81Å; K38-Y54 HydrophobicContact CG-CE1 3.94Å; K38-Y54 HydrophobicContact CG-CG 4.5Å |
| 39 | T | 87.5 | Confident | 86.5 | Confident | 18 Ų | 18 | 58 Ų | 58 | 11% | 0.11 | 26% | 0.264 | C | S | . | . | B | Isolated β-bridge | trans | -125.8 | 145.1 | 176.5 | 62.4 | 0 | 0 | 0 | 0 | 109.7 | Y35 S37 K44 W45 | Y35-T39 PolarHBondContact OH-O 3.29Å; S37-T39 VanDerWaalsContact C-N 3.33Å; S37-T39 PolarHBondContact OG-N 3.29Å; S37-T39 VanDerWaalsContact OG-N 3.11Å; S37-T39 PolarHBondContact OG-O 3.42Å; S37-T39 PolarHBondContact OG-OG1 2.78Å; S37-T39 VanDerWaalsContact OG-OG1 3.08Å; T39-K44 CarbonylContact C-O 3.55Å; T39-K44 WeakPolarHBondContact CA-O 3.34Å; T39-K44 WeakPolarHBondContact CB-O 3.2Å; T39-W45 HydrophobicContact CG2-CD2 3.99Å; T39-W45 HydrophobicContact CG2-CE3 3.66Å; T39-W45 HydrophobicContact CG2-CH2 4.36Å; T39-W45 HydrophobicContact CG2-CZ3 3.86Å |
| 40 | T | 86.6 | Confident | 86 | Confident | 3 Ų | 3 | 61 Ų | 61 | 2% | 0.018 | 28% | 0.278 | C | S | . | . | trans | -61.8 | 172.7 | 172.5 | 63 | 0 | 0 | 0 | 0 | 112.3 | Y42 H43 K44 N123 S130 L131 L132 | T40-Y42 PolarHBondContact O-N 2.92Å; T40-Y42 VanDerWaalsContact O-N 3.11Å; T40-H43 WeakPolarHBondContact O-CA 3.31Å; T40-H43 PolarHBondContact O-N 2.91Å; T40-K44 PolarHBondContact N-O 2.88Å; T40-K44 PolarHBondContact OG1-N 2.79Å; T40-K44 PolarHBondContact OG1-O 3.06Å; T40-N123 HydrophobicContact CG2-CB 4.18Å; T40-S130 VanDerWaalsContact CG2-CB 3.48Å; T40-L131 WeakPolarHBondContact CB-O 3.4Å; T40-L132 HydrophobicContact CG2-CD2 4.03Å | ||
| 41 | F | 82.3 | Confident | 85.5 | Confident | 64 Ų | 64 | 68 Ų | 68 | 28% | 0.281 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51 | -34.7 | 173.1 | -177.8 | -92.1 | 0 | 0 | 0 | 112.8 | H43 L131 E160 | F41-H43 VanDerWaalsContact C-N 3.26Å; F41-H43 PolarHBondContact O-N 3.25Å; F41-L131 HydrophobicContact CB-CB 4.37Å; F41-L131 HydrophobicContact CB-CG 4.47Å; F41-L131 WeakPolarHBondContact CB-O 3.36Å; F41-L131 HydrophobicContact CG-CD2 4.4Å; F41-L131 PolarHBondContact N-O 2.79Å; F41-E160 HydrophobicContact CD2-CG 3.72Å; F41-E160 WeakPolarHBondContact CD2-OE1 3.22Å; F41-E160 HydrophobicContact CE2-CG 4.04Å |
| 42 | Y | 82.7 | Confident | 85.1 | Confident | 147 Ų | 147 | 71.1 Ų | 71.1 | 58% | 0.576 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88 | 15.2 | 178.9 | -59.2 | -68.9 | 0 | 0 | 0 | 113.8 | T40 K44 L131 | T40-Y42 PolarHBondContact O-N 2.92Å; T40-Y42 VanDerWaalsContact O-N 3.11Å; Y42-K44 PolarHBondContact O-N 3.29Å; Y42-K44 VanDerWaalsContact O-N 3.16Å; Y42-L131 HydrophobicContact CE2-CB 4.14Å |
| 43 | H | 84.5 | Confident | 85 | Confident | 120 Ų | 120 | 72.6 Ų | 72.6 | 56% | 0.556 | 32% | 0.323 | S | S | * | . | S | Bend | trans | 59.5 | 21.3 | -178.5 | -54.3 | -62.3 | 0 | 0 | 0 | 115 | T40 F41 | T40-H43 WeakPolarHBondContact O-CA 3.31Å; T40-H43 PolarHBondContact O-N 2.91Å; F41-H43 VanDerWaalsContact C-N 3.26Å; F41-H43 PolarHBondContact O-N 3.25Å |
| 44 | K | 85.9 | Confident | 85.2 | Confident | 109 Ų | 109 | 75.5 Ų | 75.5 | 47% | 0.474 | 33% | 0.334 | S | S | . | . | trans | -82.2 | 140.3 | 167.5 | -60.9 | -176.9 | 179 | 179.5 | 0 | 109.3 | T39 T40 Y42 | T39-K44 CarbonylContact C-O 3.55Å; T39-K44 WeakPolarHBondContact CA-O 3.34Å; T39-K44 WeakPolarHBondContact CB-O 3.2Å; T40-K44 PolarHBondContact N-O 2.88Å; T40-K44 PolarHBondContact OG1-N 2.79Å; T40-K44 PolarHBondContact OG1-O 3.06Å; Y42-K44 PolarHBondContact O-N 3.29Å; Y42-K44 VanDerWaalsContact O-N 3.16Å | ||
| 45 | W | 88.7 | Confident | 85.3 | Confident | 102 Ų | 102 | 71.2 Ų | 71.2 | 39% | 0.386 | 32% | 0.317 | S | S | . | . | B | Isolated β-bridge | trans | -54.6 | 139.9 | 170.7 | -65.1 | 106.9 | 0 | 0 | 0 | 110.5 | K38 T39 D47 R51 | K38-W45 HydrophobicContact CB-CE3 4.28Å; K38-W45 HydrophobicContact CB-CZ3 4.02Å; T39-W45 HydrophobicContact CG2-CD2 3.99Å; T39-W45 HydrophobicContact CG2-CE3 3.66Å; T39-W45 HydrophobicContact CG2-CH2 4.36Å; T39-W45 HydrophobicContact CG2-CZ3 3.86Å; W45-D47 VanDerWaalsContact C-N 3.34Å; W45-D47 WeakPolarHBondContact CB-O 3.33Å; W45-R51 HydrophobicContact CB-CG 4.37Å; W45-R51 HydrophobicContact CD2-CB 3.86Å; W45-R51 HydrophobicContact CD2-CG 4.17Å; W45-R51 HydrophobicContact CE3-CB 4.15Å; W45-R51 VanDerWaalsContact CE3-O 3.28Å; W45-R51 HydrophobicContact CG-CB 4.08Å; W45-R51 HydrophobicContact CG-CG 3.87Å; W45-R51 WeakPolarHBondContact CZ3-O 3.12Å |
| 46 | C | 88.9 | Confident | 85.5 | Confident | 1 Ų | 1 | 71.2 Ų | 71.2 | 1% | 0.007 | 32% | 0.318 | C | S | . | . | S | Bend | trans | -76.4 | -25 | 179.6 | -74.7 | 0 | 0 | 0 | 0 | 113.6 | K38 C55 N123 | K38-C46 PolarHBondContact O-N 2.01Å; C46-C55 HydrophobicContact CB-CB 3.57Å; C46-C55 WeakPolarHBondContact CB-SG 3.45Å; C46-C55 WeakPolarHBondContact SG-CB 3.43Å; C46-C55 CovalentContact SG-SG 2.02Å; C46-C55 PolarHBondContact SG-SG 2.82Å; C46-N123 PolarHBondContact O-ND2 2.65Å |
| 47 | D | 85.2 | Confident | 85.9 | Confident | 13 Ų | 13 | 69.1 Ų | 69.1 | 7% | 0.07 | 30% | 0.304 | C | S | . | . | trans | -119.9 | 124.4 | 162.2 | -168.9 | -58.9 | 0 | 0 | 0 | 108.8 | W45 Q49 E50 E53 H86 E125 | W45-D47 VanDerWaalsContact C-N 3.34Å; W45-D47 WeakPolarHBondContact CB-O 3.33Å; D47-Q49 VanDerWaalsContact OD1-CA 3.3Å; D47-Q49 WeakPolarHBondContact OD1-CA 3.13Å; D47-Q49 WeakPolarHBondContact OD1-CB 3.43Å; D47-Q49 PolarHBondContact OD1-N 2.84Å; D47-E50 HydrophobicContact CB-CB 4.48Å; D47-E50 PolarHBondContact OD1-N 3.22Å; D47-E53 HydrophobicContact CB-CB 4.28Å; D47-H86 IonicContact OD2-CE1 3.7Å; D47-E125 WeakPolarHBondContact CA-OE1 3.21Å | ||
| 48 | H | 78.7 | Confident | 86.2 | Confident | 104 Ų | 104 | 70.7 Ų | 70.7 | 48% | 0.481 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -76.3 | -27.2 | -178.4 | -83.6 | -69.3 | 0 | 0 | 0 | 113.1 | E125 | H48-E125 IonicContact CD2-OE2 3.31Å; H48-E125 PolarHBondContact CD2-OE2 3.22Å; H48-E125 PolarHBondContact N-OE1 3.22Å; H48-E125 PolarHBondContact N-OE2 3.1Å |
| 49 | Q | 80.9 | Confident | 86.3 | Confident | 151 Ų | 151 | 67.4 Ų | 67.4 | 71% | 0.706 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -84.4 | -44.5 | 178.5 | -52.2 | -171.6 | 20.1 | 0 | 0 | 110.6 | D47 | D47-Q49 VanDerWaalsContact OD1-CA 3.3Å; D47-Q49 WeakPolarHBondContact OD1-CA 3.13Å; D47-Q49 WeakPolarHBondContact OD1-CB 3.43Å; D47-Q49 PolarHBondContact OD1-N 2.84Å |
| 50 | E | 78.5 | Confident | 86.5 | Confident | 111 Ų | 111 | 67.6 Ų | 67.6 | 52% | 0.519 | 30% | 0.295 | S | S | . | . | trans | -118.5 | 79.3 | -175 | -59.4 | -155.6 | -169 | 0 | 0 | 111.2 | D47 H52 E53 | D47-E50 HydrophobicContact CB-CB 4.48Å; D47-E50 PolarHBondContact OD1-N 3.22Å; E50-H52 PolarHBondContact O-N 2.96Å; E50-E53 HydrophobicContact CB-CG 3.84Å; E50-E53 PolarHBondContact O-N 3.26Å | ||
| 51 | R | 78.2 | Confident | 86.8 | Confident | 150 Ų | 150 | 67.4 Ų | 67.4 | 57% | 0.566 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | 11.8 | -177.4 | -58.5 | -178.9 | -175.5 | 178.1 | 1.8 | 115.9 | W45 | W45-R51 HydrophobicContact CB-CG 4.37Å; W45-R51 HydrophobicContact CD2-CB 3.86Å; W45-R51 HydrophobicContact CD2-CG 4.17Å; W45-R51 HydrophobicContact CE3-CB 4.15Å; W45-R51 VanDerWaalsContact CE3-O 3.28Å; W45-R51 HydrophobicContact CG-CB 4.08Å; W45-R51 HydrophobicContact CG-CG 3.87Å; W45-R51 WeakPolarHBondContact CZ3-O 3.12Å |
| 52 | H | 80.1 | Confident | 87.4 | Confident | 152 Ų | 152 | 65 Ų | 65 | 70% | 0.704 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.1 | -5.5 | 178.6 | -57.8 | -39.9 | 0 | 0 | 0 | 112.8 | K38 E50 | K38-H52 VanDerWaalsContact CD-O 3.3Å; K38-H52 WeakPolarHBondContact CD-O 3.29Å; K38-H52 WeakPolarHBondContact CE-O 3.28Å; K38-H52 PolarHBondContact NZ-O 2.64Å; E50-H52 PolarHBondContact O-N 2.96Å |
| 53 | E | 88.4 | Confident | 87.8 | Confident | 58 Ų | 58 | 58 Ų | 58 | 27% | 0.271 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -83.8 | 154.5 | 178.8 | -62.1 | -162.7 | 131 | 0 | 0 | 111.9 | K38 D47 E50 H86 | K38-E53 WeakPolarHBondContact CB-O 3.44Å; D47-E53 HydrophobicContact CB-CB 4.28Å; E50-E53 HydrophobicContact CB-CG 3.84Å; E50-E53 PolarHBondContact O-N 3.26Å; E53-H86 HydrophobicContact CB-CB 4.35Å; E53-H86 IonicContact OE2-CD2 3.5Å; E53-H86 PolarHBondContact OE2-CD2 2.73Å; E53-H86 IonicContact OE2-CE1 2.7Å; E53-H86 PolarHBondContact OE2-CE1 2.89Å; E53-H86 IonicContact OE2-CG 3.37Å; E53-H86 IonicContact OE2-ND1 3.51Å; E53-H86 PolarHBondContact OE2-ND1 3.13Å; E53-H86 IonicContact OE2-NE2 3.21Å; E53-H86 PolarHBondContact OE2-NE2 3.31Å |
| 54 | Y | 91.7 | Very high | 88.1 | Confident | 62 Ų | 62 | 53 Ų | 53 | 24% | 0.243 | 24% | 0.236 | C | C | . | . | P | Polyproline II helix | trans | -76.7 | 168.6 | 171 | -67.3 | -75.2 | 0 | 0 | 0 | 109.8 | K38 H86 Q88 | K38-Y54 HydrophobicContact CG-CD1 3.81Å; K38-Y54 HydrophobicContact CG-CE1 3.94Å; K38-Y54 HydrophobicContact CG-CG 4.5Å; Y54-H86 WeakPolarHBondContact O-CA 3.49Å; Y54-H86 PolarHBondContact O-ND1 2.81Å; Y54-Q88 HydrophobicContact CD1-CB 3.87Å; Y54-Q88 HydrophobicContact CD1-CG 4.12Å; Y54-Q88 HydrophobicContact CD2-CB 3.97Å; Y54-Q88 HydrophobicContact CE1-CB 3.88Å; Y54-Q88 HydrophobicContact CE1-CG 3.78Å; Y54-Q88 HydrophobicContact CE2-CB 3.95Å; Y54-Q88 HydrophobicContact CG-CB 3.92Å; Y54-Q88 PolarHBondContact OH-OE1 2.7Å |
| 55 | C | 91 | Very high | 88.4 | Confident | 1 Ų | 1 | 50.8 Ų | 50.8 | 1% | 0.007 | 23% | 0.226 | C | C | . | . | P | Polyproline II helix | trans | -73 | 155.6 | 177.6 | -41.9 | 0 | 0 | 0 | 0 | 110.8 | Y35 C46 P57 H86 K87 N123 L132 | Y35-C55 HydrophobicContact CD1-CB 4.38Å; Y35-C55 WeakPolarHBondContact CE1-SG 2.91Å; C46-C55 HydrophobicContact CB-CB 3.57Å; C46-C55 WeakPolarHBondContact CB-SG 3.45Å; C46-C55 WeakPolarHBondContact SG-CB 3.43Å; C46-C55 CovalentContact SG-SG 2.02Å; C46-C55 PolarHBondContact SG-SG 2.82Å; C55-P57 VanDerWaalsContact C-CD 3.48Å; C55-P57 WeakPolarHBondContact O-CD 2.93Å; C55-H86 CarbonylContact O-C 3.52Å; C55-H86 WeakPolarHBondContact O-CA 3.3Å; C55-K87 PolarHBondContact O-N 2.86Å; C55-N123 VanDerWaalsContact CA-OD1 3.23Å; C55-N123 WeakPolarHBondContact CA-OD1 3.03Å; C55-N123 HydrophobicContact CB-CB 4.36Å; C55-N123 VanDerWaalsContact CB-OD1 3.24Å; C55-N123 WeakPolarHBondContact CB-OD1 3.49Å; C55-L132 HydrophobicContact CB-CD1 3.7Å; C55-L132 HydrophobicContact CB-CD2 3.99Å; C55-L132 HydrophobicContact CB-CG 4.5Å |
| 56 | S | 93.4 | Very high | 88.3 | Confident | 4 Ų | 4 | 49.4 Ų | 49.4 | 3% | 0.028 | 22% | 0.223 | C | C | . | . | trans | -100.3 | 87.4 | 172.1 | -60 | 0 | 0 | 0 | 0 | 108.2 | Y58 G79 Y84 E85 H86 N123 E124 | S56-Y58 PolarHBondContact O-N 2.92Å; S56-G79 VanDerWaalsContact CB-O 3.27Å; S56-G79 WeakPolarHBondContact CB-O 3.32Å; S56-Y84 WeakPolarHBondContact CA-O 3.23Å; S56-E85 WeakPolarHBondContact OG-CA 2.74Å; S56-H86 PolarHBondContact OG-N 3.36Å; S56-N123 PolarHBondContact N-OD1 2.77Å; S56-E124 PolarHBondContact O-N 2.87Å | ||
| 57 | P | 92.5 | Very high | 88.3 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.8 | 122.4 | -174.1 | 25.8 | -39.6 | 0 | 0 | 0 | 112.7 | F33 C55 F59 G79 Y84 I90 V121 F122 L132 | F33-P57 HydrophobicContact CD1-CB 4.28Å; F33-P57 HydrophobicContact CD1-CG 4.1Å; F33-P57 HydrophobicContact CE1-CB 3.59Å; F33-P57 HydrophobicContact CE1-CG 3.62Å; F33-P57 HydrophobicContact CZ-CB 3.76Å; F33-P57 HydrophobicContact CZ-CG 4.31Å; C55-P57 VanDerWaalsContact C-CD 3.48Å; C55-P57 WeakPolarHBondContact O-CD 2.93Å; P57-F59 HydrophobicContact CB-CE2 3.77Å; P57-F59 HydrophobicContact CB-CZ 3.71Å; P57-F59 HydrophobicContact CG-CE2 4.1Å; P57-F59 HydrophobicContact CG-CZ 4.15Å; P57-G79 PolarHBondContact O-N 2.8Å; P57-Y84 VanDerWaalsContact CD-O 3.27Å; P57-Y84 WeakPolarHBondContact CD-O 3.17Å; P57-I90 HydrophobicContact CG-CD1 3.5Å; P57-I90 VanDerWaalsContact CG-CD1 3.5Å; P57-V121 HydrophobicContact CB-CG1 3.73Å; P57-F122 CarbonylContact C-O 3.56Å; P57-F122 VanDerWaalsContact CA-O 3.29Å; P57-F122 WeakPolarHBondContact CA-O 3.23Å; P57-L132 HydrophobicContact CB-CD1 4.31Å |
| 58 | Y | 93.2 | Very high | 88.4 | Confident | 45 Ų | 45 | 57.3 Ų | 57.3 | 18% | 0.176 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 119.6 | 170.1 | 176.3 | -97.9 | 0 | 0 | 0 | 109 | S56 V60 E76 V121 F122 | S56-Y58 PolarHBondContact O-N 2.92Å; Y58-V60 HydrophobicContact CD1-CG2 3.91Å; Y58-V60 HydrophobicContact CE1-CG2 3.45Å; Y58-V60 VanDerWaalsContact CE1-CG2 3.45Å; Y58-E76 WeakPolarHBondContact OH-CB 3.34Å; Y58-E76 PolarHBondContact OH-OE2 2.81Å; Y58-V121 CarbonylContact O-C 3.51Å; Y58-V121 WeakPolarHBondContact O-CA 3.06Å; Y58-F122 HydrophobicContact CD1-CB 4.32Å; Y58-F122 HydrophobicContact CD1-CD2 4.03Å; Y58-F122 PolarHBondContact N-O 2.95Å; Y58-F122 PolarHBondContact O-N 3.37Å |
| 59 | F | 93.1 | Very high | 88.7 | Confident | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 132.5 | -173 | -60.5 | -89.1 | 0 | 0 | 0 | 110.6 | L9 F33 P57 E76 F77 Y84 I90 F92 V121 | L9-F59 HydrophobicContact CD1-CE1 4.21Å; F33-F59 HydrophobicContact CB-CE1 4.14Å; F33-F59 HydrophobicContact CB-CZ 3.95Å; F33-F59 AromaticContact CD1-CZ 3.97Å; F33-F59 HydrophobicContact CD1-CZ 3.97Å; F33-F59 AromaticContact CD2-CE1 3.69Å; F33-F59 HydrophobicContact CD2-CE1 3.69Å; F33-F59 AromaticContact CD2-CZ 3.96Å; F33-F59 HydrophobicContact CD2-CZ 3.96Å; F33-F59 HydrophobicContact CE1-CZ 4.41Å; F33-F59 HydrophobicContact CE2-CE1 4.13Å; F33-F59 HydrophobicContact CE2-CZ 4.39Å; F33-F59 AromaticContact CG-CE1 3.87Å; F33-F59 HydrophobicContact CG-CE1 3.87Å; F33-F59 AromaticContact CG-CZ 3.69Å; F33-F59 HydrophobicContact CG-CZ 3.69Å; P57-F59 HydrophobicContact CB-CE2 3.77Å; P57-F59 HydrophobicContact CB-CZ 3.71Å; P57-F59 HydrophobicContact CG-CE2 4.1Å; P57-F59 HydrophobicContact CG-CZ 4.15Å; F59-E76 VanDerWaalsContact O-CA 3.31Å; F59-E76 WeakPolarHBondContact O-CA 3.1Å; F59-F77 HydrophobicContact CB-CD1 4.3Å; F59-F77 HydrophobicContact CB-CD2 4.28Å; F59-F77 HydrophobicContact CB-CE1 3.77Å; F59-F77 HydrophobicContact CB-CE2 3.75Å; F59-F77 HydrophobicContact CB-CG 4.5Å; F59-F77 HydrophobicContact CB-CZ 3.42Å; F59-F77 VanDerWaalsContact CB-CZ 3.42Å; F59-F77 AromaticContact CD2-CD2 3.99Å; F59-F77 HydrophobicContact CD2-CD2 3.99Å; F59-F77 AromaticContact CD2-CE2 3.49Å; F59-F77 HydrophobicContact CD2-CE2 3.49Å; F59-F77 VanDerWaalsContact CD2-CE2 3.49Å; F59-F77 HydrophobicContact CD2-CZ 4.03Å; F59-F77 HydrophobicContact CE2-CE2 4.31Å; F59-F77 HydrophobicContact CG-CD2 4.47Å; F59-F77 AromaticContact CG-CE2 3.74Å; F59-F77 HydrophobicContact CG-CE2 3.74Å; F59-F77 AromaticContact CG-CZ 3.76Å; F59-F77 HydrophobicContact CG-CZ 3.76Å; F59-F77 PolarHBondContact N-O 2.77Å; F59-F77 PolarHBondContact O-N 2.93Å; F59-F77 VanDerWaalsContact O-N 3.13Å; F59-Y84 HydrophobicContact CD2-CE1 4.38Å; F59-Y84 AromaticContact CE2-CD1 3.99Å; F59-Y84 HydrophobicContact CE2-CD1 3.99Å; F59-Y84 HydrophobicContact CE2-CE1 4.02Å; F59-I90 HydrophobicContact CE2-CD1 3.97Å; F59-I90 HydrophobicContact CZ-CD1 4.01Å; F59-F92 HydrophobicContact CD1-CZ 4.44Å; F59-F92 AromaticContact CE1-CZ 3.86Å; F59-F92 HydrophobicContact CE1-CZ 3.86Å; F59-F92 HydrophobicContact CE2-CE1 4.08Å; F59-F92 AromaticContact CE2-CZ 4Å; F59-F92 HydrophobicContact CE2-CZ 4Å; F59-F92 HydrophobicContact CZ-CE1 4.17Å; F59-F92 AromaticContact CZ-CZ 3.62Å; F59-F92 HydrophobicContact CZ-CZ 3.62Å; F59-V121 HydrophobicContact CD1-CB 4.49Å; F59-V121 HydrophobicContact CD1-CG1 4.08Å; F59-V121 HydrophobicContact CD1-CG2 3.72Å; F59-V121 HydrophobicContact CE1-CG1 3.91Å; F59-V121 HydrophobicContact CE1-CG2 3.86Å; F59-V121 HydrophobicContact CZ-CG1 4.37Å |
| 60 | V | 93 | Very high | 89 | Confident | 22 Ų | 22 | 54.3 Ų | 54.3 | 13% | 0.133 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 107.3 | 169.6 | -177.7 | 0 | 0 | 0 | 0 | 107.8 | Y58 Y75 E76 D120 F122 | Y58-V60 HydrophobicContact CD1-CG2 3.91Å; Y58-V60 HydrophobicContact CE1-CG2 3.45Å; Y58-V60 VanDerWaalsContact CE1-CG2 3.45Å; V60-Y75 WeakPolarHBondContact CA-O 3.24Å; V60-E76 HydrophobicContact CB-CG 4.49Å; V60-E76 HydrophobicContact CG1-CG 4.15Å; V60-E76 HydrophobicContact CG2-CG 4.1Å; V60-D120 HydrophobicContact CB-CB 4.26Å; V60-D120 PolarHBondContact N-O 2.84Å; V60-D120 PolarHBondContact O-N 2.83Å; V60-F122 HydrophobicContact CB-CE2 4.22Å; V60-F122 HydrophobicContact CG2-CD2 3.95Å; V60-F122 HydrophobicContact CG2-CE2 3.69Å |
| 61 | I | 92.5 | Very high | 89.7 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 117.5 | 178.5 | -47 | -59.9 | 0 | 0 | 0 | 108.3 | K74 Y75 F77 L104 F106 L117 V119 | I61-K74 CarbonylContact O-C 3.47Å; I61-K74 VanDerWaalsContact O-CA 3.31Å; I61-K74 WeakPolarHBondContact O-CA 3.37Å; I61-Y75 PolarHBondContact N-O 3.12Å; I61-Y75 PolarHBondContact O-N 2.97Å; I61-F77 HydrophobicContact CG1-CE1 4.07Å; I61-L104 HydrophobicContact CB-CD1 3.69Å; I61-L104 HydrophobicContact CG1-CD1 3.71Å; I61-L104 HydrophobicContact CG2-CD1 3.75Å; I61-F106 HydrophobicContact CG2-CE2 4.36Å; I61-F106 HydrophobicContact CG2-CZ 3.96Å; I61-L117 HydrophobicContact CG2-CD1 4.04Å; I61-L117 HydrophobicContact CG2-CD2 3.74Å; I61-L117 HydrophobicContact CG2-CG 4.11Å; I61-V119 HydrophobicContact CD1-CB 4.03Å; I61-V119 HydrophobicContact CD1-CG1 3.37Å; I61-V119 HydrophobicContact CD1-CG2 3.81Å; I61-V119 HydrophobicContact CG2-CG2 4.41Å |
| 62 | C | 93.4 | Very high | 90.4 | Very high | 13 Ų | 13 | 48.2 Ų | 48.2 | 9% | 0.088 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 125.4 | -168.8 | 169.8 | 0 | 0 | 0 | 0 | 111.4 | T64 C71 Q73 L117 S118 | C62-T64 PolarHBondContact SG-OG1 2.85Å; C62-C71 HydrophobicContact CB-CB 4.31Å; C62-C71 WeakPolarHBondContact CB-SG 3.31Å; C62-C71 WeakPolarHBondContact SG-CA 3.39Å; C62-C71 WeakPolarHBondContact SG-CB 3.38Å; C62-C71 CovalentContact SG-SG 2.01Å; C62-C71 PolarHBondContact SG-SG 2.89Å; C62-Q73 WeakPolarHBondContact CA-O 3.43Å; C62-L117 WeakPolarHBondContact O-CA 3.21Å; C62-S118 PolarHBondContact N-O 3.28Å; C62-S118 PolarHBondContact O-N 2.77Å |
| 63 | L | 92.6 | Very high | 91.1 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 118.2 | 163.2 | -173 | 67.7 | 0 | 0 | 0 | 108.6 | I26 I72 Q73 F106 V108 L115 L117 L139 | I26-L63 HydrophobicContact CD1-CD1 3.91Å; I26-L63 HydrophobicContact CD1-CD2 4.05Å; L63-I72 HydrophobicContact CB-CG1 4.27Å; L63-I72 HydrophobicContact CD2-CD1 3.87Å; L63-I72 HydrophobicContact CD2-CG1 4.22Å; L63-I72 HydrophobicContact CG-CD1 4.09Å; L63-I72 HydrophobicContact CG-CG1 4.08Å; L63-I72 WeakPolarHBondContact O-CG1 3.43Å; L63-I72 PolarHBondContact O-N 2.86Å; L63-Q73 HydrophobicContact CB-CB 4.44Å; L63-Q73 PolarHBondContact N-O 2.75Å; L63-F106 HydrophobicContact CB-CD1 3.59Å; L63-F106 HydrophobicContact CB-CE1 3.89Å; L63-F106 HydrophobicContact CB-CG 4.14Å; L63-F106 HydrophobicContact CD2-CB 3.94Å; L63-F106 HydrophobicContact CD2-CD1 4.38Å; L63-F106 HydrophobicContact CD2-CG 4.36Å; L63-V108 HydrophobicContact CD2-CG2 3.36Å; L63-L115 HydrophobicContact CD1-CB 4.39Å; L63-L115 HydrophobicContact CG-CD2 4.43Å; L63-L117 HydrophobicContact CB-CD1 4.46Å; L63-L117 HydrophobicContact CD1-CD1 4.42Å; L63-L139 HydrophobicContact CD1-CD1 3.71Å |
| 64 | T | 91.2 | Very high | 91.4 | Very high | 16 Ų | 16 | 47.2 Ų | 47.2 | 10% | 0.098 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 136.3 | -176.8 | -57.6 | 0 | 0 | 0 | 0 | 109.9 | C62 Q70 L115 A116 S118 | C62-T64 PolarHBondContact SG-OG1 2.85Å; T64-Q70 WeakPolarHBondContact CA-O 3.25Å; T64-Q70 WeakPolarHBondContact CG2-O 3.04Å; T64-L115 WeakPolarHBondContact O-CA 3.37Å; T64-A116 PolarHBondContact N-O 2.76Å; T64-A116 PolarHBondContact O-N 3.43Å; T64-S118 PolarHBondContact OG1-OG 2.81Å |
| 65 | K | 90.6 | Very high | 91.6 | Very high | 61 Ų | 61 | 47 Ų | 47 | 27% | 0.265 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 112.8 | 165.5 | -172.3 | 163.9 | -175.5 | 166.7 | 0 | 109.1 | S67 L68 G69 Q70 I72 D114 L115 | K65-S67 VanDerWaalsContact C-N 3.31Å; K65-S67 PolarHBondContact O-N 2.84Å; K65-L68 HydrophobicContact CB-CB 4.38Å; K65-L68 HydrophobicContact CB-CD1 4.27Å; K65-L68 HydrophobicContact CB-CG 4.36Å; K65-L68 HydrophobicContact CD-CD1 3.92Å; K65-L68 HydrophobicContact CD-CG 4.15Å; K65-L68 HydrophobicContact CG-CD1 4.34Å; K65-L68 HydrophobicContact CG-CG 4.21Å; K65-L68 PolarHBondContact O-N 3.28Å; K65-G69 PolarHBondContact O-N 3.29Å; K65-Q70 PolarHBondContact N-O 3.36Å; K65-I72 HydrophobicContact CB-CG2 3.97Å; K65-D114 CarbonylContact C-O 3.57Å; K65-D114 WeakPolarHBondContact CA-O 3.42Å; K65-D114 WeakPolarHBondContact CG-OD2 3.43Å; K65-L115 HydrophobicContact CB-CD2 4.24Å; K65-L115 HydrophobicContact CG-CD2 4.49Å |
| 66 | K | 87.4 | Confident | 91.8 | Very high | 73 Ų | 73 | 50 Ų | 50 | 32% | 0.317 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -39.2 | -168.3 | -57.4 | 170.6 | -75.4 | -171.6 | 0 | 111.2 | L68 G69 D113 D114 A116 | K66-L68 VanDerWaalsContact C-N 3.26Å; K66-L68 PolarHBondContact O-N 2.92Å; K66-G69 PolarHBondContact O-N 3.17Å; K66-D113 WeakPolarHBondContact CE-O 3.4Å; K66-D113 PolarHBondContact NZ-O 2.89Å; K66-D114 VanDerWaalsContact CB-OD1 3.3Å; K66-D114 WeakPolarHBondContact CB-OD1 3.42Å; K66-D114 VanDerWaalsContact CE-CA 3.44Å; K66-D114 PolarHBondContact N-O 2.59Å; K66-A116 HydrophobicContact CD-CB 4.23Å; K66-A116 HydrophobicContact CG-CB 3.91Å |
| 67 | S | 88.1 | Confident | 91.8 | Very high | 83 Ų | 83 | 50 Ų | 50 | 58% | 0.58 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -28.4 | 175.8 | 60 | 0 | 0 | 0 | 0 | 114.7 | K65 D114 | K65-S67 VanDerWaalsContact C-N 3.31Å; K65-S67 PolarHBondContact O-N 2.84Å; S67-D114 WeakPolarHBondContact CB-OD2 3.13Å; S67-D114 PolarHBondContact N-OD1 3.37Å; S67-D114 VanDerWaalsContact N-OD1 3.1Å; S67-D114 PolarHBondContact N-OD2 3.02Å; S67-D114 PolarHBondContact OG-OD2 2.86Å |
| 68 | L | 87.7 | Confident | 91.9 | Very high | 97 Ų | 97 | 50.5 Ų | 50.5 | 51% | 0.508 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.4 | -20.3 | 178.4 | -61.4 | -178.5 | 0 | 0 | 0 | 112.4 | K65 K66 Q70 | K65-L68 HydrophobicContact CB-CB 4.38Å; K65-L68 HydrophobicContact CB-CD1 4.27Å; K65-L68 HydrophobicContact CB-CG 4.36Å; K65-L68 HydrophobicContact CD-CD1 3.92Å; K65-L68 HydrophobicContact CD-CG 4.15Å; K65-L68 HydrophobicContact CG-CD1 4.34Å; K65-L68 HydrophobicContact CG-CG 4.21Å; K65-L68 PolarHBondContact O-N 3.28Å; K66-L68 VanDerWaalsContact C-N 3.26Å; K66-L68 PolarHBondContact O-N 2.92Å; L68-Q70 HydrophobicContact CB-CB 4.18Å; L68-Q70 WeakPolarHBondContact O-CG 3.36Å; L68-Q70 PolarHBondContact O-N 2.85Å |
| 69 | G | 85 | Confident | 91.8 | Very high | 64 Ų | 64 | 48.7 Ų | 48.7 | 66% | 0.66 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.4 | 23.3 | -171.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | K65 K66 | K65-G69 PolarHBondContact O-N 3.29Å; K66-G69 PolarHBondContact O-N 3.17Å |
| 70 | Q | 86.6 | Confident | 91.6 | Very high | 128 Ų | 128 | 52.6 Ų | 52.6 | 60% | 0.598 | 29% | 0.294 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 143.9 | -172.1 | -73.9 | 176.7 | 1.7 | 0 | 0 | 111.7 | T64 K65 L68 I72 | T64-Q70 WeakPolarHBondContact CA-O 3.25Å; T64-Q70 WeakPolarHBondContact CG2-O 3.04Å; K65-Q70 PolarHBondContact N-O 3.36Å; L68-Q70 HydrophobicContact CB-CB 4.18Å; L68-Q70 WeakPolarHBondContact O-CG 3.36Å; L68-Q70 PolarHBondContact O-N 2.85Å; Q70-I72 PolarHBondContact O-N 2.9Å |
| 71 | C | 92.9 | Very high | 91.4 | Very high | 62 Ų | 62 | 53.4 Ų | 53.4 | 42% | 0.419 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 118.1 | 169.1 | -159 | 0 | 0 | 0 | 0 | 109.9 | C62 Q73 | C62-C71 HydrophobicContact CB-CB 4.31Å; C62-C71 WeakPolarHBondContact CB-SG 3.31Å; C62-C71 WeakPolarHBondContact SG-CA 3.39Å; C62-C71 WeakPolarHBondContact SG-CB 3.38Å; C62-C71 CovalentContact SG-SG 2.01Å; C62-C71 PolarHBondContact SG-SG 2.89Å; C71-Q73 PolarHBondContact SG-O 2.81Å |
| 72 | I | 93.1 | Very high | 91.3 | Very high | 72 Ų | 72 | 58.4 Ų | 58.4 | 37% | 0.369 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | -26.6 | 179.3 | 57.8 | 165.7 | 0 | 0 | 0 | 112.2 | L63 K65 Q70 L115 | L63-I72 HydrophobicContact CB-CG1 4.27Å; L63-I72 HydrophobicContact CD2-CD1 3.87Å; L63-I72 HydrophobicContact CD2-CG1 4.22Å; L63-I72 HydrophobicContact CG-CD1 4.09Å; L63-I72 HydrophobicContact CG-CG1 4.08Å; L63-I72 WeakPolarHBondContact O-CG1 3.43Å; L63-I72 PolarHBondContact O-N 2.86Å; K65-I72 HydrophobicContact CB-CG2 3.97Å; Q70-I72 PolarHBondContact O-N 2.9Å; I72-L115 HydrophobicContact CD1-CD2 3.81Å |
| 73 | Q | 94.9 | Very high | 91.3 | Very high | 59 Ų | 59 | 60.7 Ų | 60.7 | 28% | 0.276 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 141.5 | 173.5 | -85 | 165.5 | 87.1 | 0 | 0 | 108.8 | C62 L63 C71 F106 T107 | C62-Q73 WeakPolarHBondContact CA-O 3.43Å; L63-Q73 HydrophobicContact CB-CB 4.44Å; L63-Q73 PolarHBondContact N-O 2.75Å; C71-Q73 PolarHBondContact SG-O 2.81Å; Q73-F106 HydrophobicContact CB-CD1 3.64Å; Q73-F106 HydrophobicContact CB-CE1 4.1Å; Q73-T107 PolarHBondContact NE2-O 2.88Å |
| 74 | K | 95.5 | Very high | 91.4 | Very high | 129 Ų | 129 | 61.2 Ų | 61.2 | 56% | 0.561 | 35% | 0.353 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 148.2 | -177 | 63.9 | 178.2 | -174.9 | 162.5 | 0 | 112.5 | I61 E76 | I61-K74 CarbonylContact O-C 3.47Å; I61-K74 VanDerWaalsContact O-CA 3.31Å; I61-K74 WeakPolarHBondContact O-CA 3.37Å; K74-E76 VanDerWaalsContact CD-OE1 3.29Å; K74-E76 WeakPolarHBondContact CD-OE1 3.31Å; K74-E76 WeakPolarHBondContact CE-OE1 3.38Å; K74-E76 IonicContact NZ-OE1 2.78Å; K74-E76 PolarHBondContact NZ-OE1 2.72Å |
| 75 | Y | 95.8 | Very high | 91.4 | Very high | 57 Ų | 57 | 65.3 Ų | 65.3 | 22% | 0.224 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 138.7 | 164.6 | -71 | -85.6 | 0 | 0 | 0 | 109.1 | V60 I61 I100 L104 V105 F106 | V60-Y75 WeakPolarHBondContact CA-O 3.24Å; I61-Y75 PolarHBondContact N-O 3.12Å; I61-Y75 PolarHBondContact O-N 2.97Å; Y75-I100 HydrophobicContact CD1-CD1 4.06Å; Y75-I100 HydrophobicContact CD1-CG1 4.15Å; Y75-I100 HydrophobicContact CD1-CG2 3.78Å; Y75-I100 HydrophobicContact CE1-CG2 4.27Å; Y75-L104 HydrophobicContact CD1-CD2 3.86Å; Y75-L104 HydrophobicContact CD2-CB 3.94Å; Y75-L104 HydrophobicContact CD2-CD1 4.08Å; Y75-L104 HydrophobicContact CD2-CD2 4.04Å; Y75-L104 HydrophobicContact CD2-CG 4.26Å; Y75-L104 HydrophobicContact CE1-CD2 4.27Å; Y75-L104 HydrophobicContact CE2-CB 3.88Å; Y75-L104 HydrophobicContact CE2-CD2 4.45Å; Y75-L104 HydrophobicContact CG-CB 4.47Å; Y75-L104 HydrophobicContact CG-CD1 4.23Å; Y75-L104 HydrophobicContact CG-CD2 3.71Å; Y75-L104 HydrophobicContact CG-CG 4.38Å; Y75-V105 PolarHBondContact OH-N 3.22Å; Y75-V105 PolarHBondContact OH-O 2.94Å; Y75-F106 HydrophobicContact CD2-CD1 4.45Å; Y75-F106 AromaticContact CD2-CE1 3.66Å; Y75-F106 HydrophobicContact CD2-CE1 3.66Å; Y75-F106 HydrophobicContact CD2-CE2 4.17Å; Y75-F106 AromaticContact CD2-CZ 3.49Å; Y75-F106 HydrophobicContact CD2-CZ 3.49Å; Y75-F106 VanDerWaalsContact CD2-CZ 3.49Å; Y75-F106 HydrophobicContact CE2-CD1 4.15Å; Y75-F106 AromaticContact CE2-CE1 3.81Å; Y75-F106 HydrophobicContact CE2-CE1 3.81Å; Y75-F106 HydrophobicContact CE2-CE2 4.19Å; Y75-F106 AromaticContact CE2-CZ 3.83Å; Y75-F106 HydrophobicContact CE2-CZ 3.83Å |
| 76 | E | 95 | Very high | 91.5 | Very high | 64 Ų | 64 | 64.6 Ų | 64.6 | 30% | 0.299 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 124.8 | -179.3 | -65.4 | -173 | -112.7 | 0 | 0 | 109.2 | Y58 F59 V60 K74 I100 | Y58-E76 WeakPolarHBondContact OH-CB 3.34Å; Y58-E76 PolarHBondContact OH-OE2 2.81Å; F59-E76 VanDerWaalsContact O-CA 3.31Å; F59-E76 WeakPolarHBondContact O-CA 3.1Å; V60-E76 HydrophobicContact CB-CG 4.49Å; V60-E76 HydrophobicContact CG1-CG 4.15Å; V60-E76 HydrophobicContact CG2-CG 4.1Å; K74-E76 VanDerWaalsContact CD-OE1 3.29Å; K74-E76 WeakPolarHBondContact CD-OE1 3.31Å; K74-E76 WeakPolarHBondContact CE-OE1 3.38Å; K74-E76 IonicContact NZ-OE1 2.78Å; K74-E76 PolarHBondContact NZ-OE1 2.72Å; E76-I100 VanDerWaalsContact O-CD1 3.24Å; E76-I100 WeakPolarHBondContact O-CD1 3.31Å |
| 77 | F | 94.5 | Very high | 91.7 | Very high | 5 Ų | 5 | 64.8 Ų | 64.8 | 2% | 0.022 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.4 | 166.3 | -178.3 | 61.7 | -83.3 | 0 | 0 | 0 | 111 | L30 F59 I61 Y84 F92 L96 I100 | L30-F77 HydrophobicContact CD1-CE1 4.05Å; L30-F77 HydrophobicContact CD1-CE2 4.15Å; L30-F77 HydrophobicContact CD1-CZ 3.32Å; F59-F77 HydrophobicContact CB-CD1 4.3Å; F59-F77 HydrophobicContact CB-CD2 4.28Å; F59-F77 HydrophobicContact CB-CE1 3.77Å; F59-F77 HydrophobicContact CB-CE2 3.75Å; F59-F77 HydrophobicContact CB-CG 4.5Å; F59-F77 HydrophobicContact CB-CZ 3.42Å; F59-F77 VanDerWaalsContact CB-CZ 3.42Å; F59-F77 AromaticContact CD2-CD2 3.99Å; F59-F77 HydrophobicContact CD2-CD2 3.99Å; F59-F77 AromaticContact CD2-CE2 3.49Å; F59-F77 HydrophobicContact CD2-CE2 3.49Å; F59-F77 VanDerWaalsContact CD2-CE2 3.49Å; F59-F77 HydrophobicContact CD2-CZ 4.03Å; F59-F77 HydrophobicContact CE2-CE2 4.31Å; F59-F77 HydrophobicContact CG-CD2 4.47Å; F59-F77 AromaticContact CG-CE2 3.74Å; F59-F77 HydrophobicContact CG-CE2 3.74Å; F59-F77 AromaticContact CG-CZ 3.76Å; F59-F77 HydrophobicContact CG-CZ 3.76Å; F59-F77 PolarHBondContact N-O 2.77Å; F59-F77 PolarHBondContact O-N 2.93Å; F59-F77 VanDerWaalsContact O-N 3.13Å; I61-F77 HydrophobicContact CG1-CE1 4.07Å; F77-Y84 HydrophobicContact CD2-CE1 4.24Å; F77-Y84 HydrophobicContact CE2-CE1 4.44Å; F77-F92 AromaticContact CE2-CE1 3.92Å; F77-F92 HydrophobicContact CE2-CE1 3.92Å; F77-L96 HydrophobicContact CD1-CD1 4.27Å; F77-L96 HydrophobicContact CD2-CB 3.9Å; F77-L96 HydrophobicContact CD2-CD1 4.38Å; F77-L96 HydrophobicContact CE1-CD1 3.9Å; F77-L96 HydrophobicContact CE2-CB 4.22Å; F77-L96 HydrophobicContact CE2-CD1 4.02Å; F77-L96 HydrophobicContact CE2-CD2 4.22Å; F77-L96 HydrophobicContact CE2-CG 4.39Å; F77-L96 HydrophobicContact CG-CB 4.16Å; F77-L96 HydrophobicContact CZ-CD1 3.8Å; F77-I100 HydrophobicContact CB-CD1 4.16Å; F77-I100 HydrophobicContact CD1-CD1 4.43Å |
| 78 | G | 93.7 | Very high | 91.9 | Very high | 11 Ų | 11 | 63.4 Ų | 63.4 | 11% | 0.113 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 95.8 | -158.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113 | S80 Y84 | G78-S80 PolarHBondContact O-N 2.81Å; G78-Y84 VanDerWaalsContact CA-CG 3.47Å |
| 79 | G | 91.7 | Very high | 92.1 | Very high | 6 Ų | 6 | 62.4 Ų | 62.4 | 6% | 0.062 | 35% | 0.352 | C | S | . | . | S | Bend | trans | 75.5 | -33.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | S56 P57 E124 | S56-G79 VanDerWaalsContact CB-O 3.27Å; S56-G79 WeakPolarHBondContact CB-O 3.32Å; P57-G79 PolarHBondContact O-N 2.8Å; G79-E124 WeakPolarHBondContact CA-OE2 3.35Å |
| 80 | S | 88.9 | Confident | 92.4 | Very high | 82 Ų | 82 | 59.7 Ų | 59.7 | 57% | 0.573 | 32% | 0.322 | S | S | * | . | S | Bend | trans | -130.2 | 159.7 | 177.4 | 59.2 | 0 | 0 | 0 | 0 | 112.6 | G78 Y84 | G78-S80 PolarHBondContact O-N 2.81Å; S80-Y84 WeakPolarHBondContact O-CD2 3.19Å |
| 81 | G | 88.6 | Confident | 92.7 | Very high | 39 Ų | 39 | 59.5 Ų | 59.5 | 40% | 0.402 | 32% | 0.324 | S | S | . | . | S | Bend | trans | 89.1 | 158.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q83 Y84 E85 | G81-Q83 PolarHBondContact O-N 2.77Å; G81-Y84 PolarHBondContact O-N 2.85Å; G81-E85 VanDerWaalsContact O-CB 3.29Å; G81-E85 WeakPolarHBondContact O-CB 3.47Å; G81-E85 PolarHBondContact O-N 2.97Å |
| 82 | S | 90.9 | Very high | 92.6 | Very high | 106 Ų | 106 | 57.2 Ų | 57.2 | 74% | 0.741 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -13.3 | -170 | 61.1 | 0 | 0 | 0 | 0 | 115.2 | K87 | S82-K87 WeakPolarHBondContact O-CE 3.2Å; S82-K87 PolarHBondContact O-NZ 2.85Å |
| 83 | Q | 92.5 | Very high | 92.5 | Very high | 61 Ų | 61 | 58.9 Ų | 58.9 | 29% | 0.285 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | -23.2 | 174.7 | -172.7 | 179.9 | 19.9 | 0 | 0 | 112.9 | G81 K87 | G81-Q83 PolarHBondContact O-N 2.77Å; Q83-K87 WeakPolarHBondContact O-CG 3.47Å |
| 84 | Y | 93.9 | Very high | 92.4 | Very high | 10 Ų | 10 | 62.3 Ų | 62.3 | 4% | 0.039 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -124.3 | -33.9 | -170.7 | -58 | -73.3 | 0 | 0 | 0 | 113.2 | S56 P57 F59 F77 G78 S80 G81 H86 K87 I90 F92 L96 | S56-Y84 WeakPolarHBondContact CA-O 3.23Å; P57-Y84 VanDerWaalsContact CD-O 3.27Å; P57-Y84 WeakPolarHBondContact CD-O 3.17Å; F59-Y84 HydrophobicContact CD2-CE1 4.38Å; F59-Y84 AromaticContact CE2-CD1 3.99Å; F59-Y84 HydrophobicContact CE2-CD1 3.99Å; F59-Y84 HydrophobicContact CE2-CE1 4.02Å; F77-Y84 HydrophobicContact CD2-CE1 4.24Å; F77-Y84 HydrophobicContact CE2-CE1 4.44Å; G78-Y84 VanDerWaalsContact CA-CG 3.47Å; S80-Y84 WeakPolarHBondContact O-CD2 3.19Å; G81-Y84 PolarHBondContact O-N 2.85Å; Y84-H86 PolarHBondContact O-N 2.77Å; Y84-K87 WeakPolarHBondContact O-CG 3.43Å; Y84-K87 PolarHBondContact O-N 2.67Å; Y84-I90 HydrophobicContact CD1-CD1 3.63Å; Y84-I90 HydrophobicContact CE1-CD1 4.12Å; Y84-F92 HydrophobicContact CE1-CE1 4.24Å; Y84-L96 WeakPolarHBondContact CE2-O 3.38Å; Y84-L96 PolarHBondContact OH-O 2.86Å |
| 85 | E | 92.7 | Very high | 92.3 | Very high | 103 Ų | 103 | 63 Ų | 63 | 48% | 0.481 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | 122.8 | -177.2 | -172.7 | 171.2 | -148.9 | 0 | 0 | 111.4 | S56 G81 K87 | S56-E85 WeakPolarHBondContact OG-CA 2.74Å; G81-E85 VanDerWaalsContact O-CB 3.29Å; G81-E85 WeakPolarHBondContact O-CB 3.47Å; G81-E85 PolarHBondContact O-N 2.97Å; E85-K87 VanDerWaalsContact C-N 3.3Å; E85-K87 WeakPolarHBondContact O-CE 3.14Å; E85-K87 WeakPolarHBondContact O-CG 3.46Å; E85-K87 PolarHBondContact O-N 2.98Å |
| 86 | H | 92.2 | Very high | 92.2 | Very high | 46 Ų | 46 | 60.4 Ų | 60.4 | 21% | 0.213 | 33% | 0.332 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 48.4 | 45.2 | -178.4 | -50.7 | -62.1 | 0 | 0 | 0 | 114.3 | D47 E53 Y54 C55 S56 Y84 | D47-H86 IonicContact OD2-CE1 3.7Å; E53-H86 HydrophobicContact CB-CB 4.35Å; E53-H86 IonicContact OE2-CD2 3.5Å; E53-H86 PolarHBondContact OE2-CD2 2.73Å; E53-H86 IonicContact OE2-CE1 2.7Å; E53-H86 PolarHBondContact OE2-CE1 2.89Å; E53-H86 IonicContact OE2-CG 3.37Å; E53-H86 IonicContact OE2-ND1 3.51Å; E53-H86 PolarHBondContact OE2-ND1 3.13Å; E53-H86 IonicContact OE2-NE2 3.21Å; E53-H86 PolarHBondContact OE2-NE2 3.31Å; Y54-H86 WeakPolarHBondContact O-CA 3.49Å; Y54-H86 PolarHBondContact O-ND1 2.81Å; C55-H86 CarbonylContact O-C 3.52Å; C55-H86 WeakPolarHBondContact O-CA 3.3Å; S56-H86 PolarHBondContact OG-N 3.36Å; Y84-H86 PolarHBondContact O-N 2.77Å |
| 87 | K | 92.5 | Very high | 92.1 | Very high | 76 Ų | 76 | 60.2 Ų | 60.2 | 33% | 0.33 | 33% | 0.333 | S | S | . | . | trans | -99.1 | 124.6 | -178.5 | -63.6 | -55.6 | -178.4 | 177.1 | 0 | 113.9 | C55 S82 Q83 Y84 E85 I90 | C55-K87 PolarHBondContact O-N 2.86Å; S82-K87 WeakPolarHBondContact O-CE 3.2Å; S82-K87 PolarHBondContact O-NZ 2.85Å; Q83-K87 WeakPolarHBondContact O-CG 3.47Å; Y84-K87 WeakPolarHBondContact O-CG 3.43Å; Y84-K87 PolarHBondContact O-N 2.67Å; E85-K87 VanDerWaalsContact C-N 3.3Å; E85-K87 WeakPolarHBondContact O-CE 3.14Å; E85-K87 WeakPolarHBondContact O-CG 3.46Å; E85-K87 PolarHBondContact O-N 2.98Å; K87-I90 HydrophobicContact CB-CD1 4.3Å; K87-I90 HydrophobicContact CB-CG1 3.95Å; K87-I90 HydrophobicContact CG-CG1 4.44Å | ||
| 88 | Q | 91.4 | Very high | 91.9 | Very high | 55 Ų | 55 | 69 Ų | 69 | 26% | 0.257 | 37% | 0.374 | S | S | . | . | S | Bend | trans | -74.9 | -40.9 | 167.3 | -173.3 | 179.9 | 18 | 0 | 0 | 112.2 | Y34 Y35 Y54 | Y34-Q88 WeakPolarHBondContact CA-O 2.86Å; Y34-Q88 HydrophobicContact CD2-CG 4.22Å; Y34-Q88 HydrophobicContact CE2-CG 3.78Å; Y35-Q88 PolarHBondContact N-O 3.21Å; Y54-Q88 HydrophobicContact CD1-CB 3.87Å; Y54-Q88 HydrophobicContact CD1-CG 4.12Å; Y54-Q88 HydrophobicContact CD2-CB 3.97Å; Y54-Q88 HydrophobicContact CE1-CB 3.88Å; Y54-Q88 HydrophobicContact CE1-CG 3.78Å; Y54-Q88 HydrophobicContact CE2-CB 3.95Å; Y54-Q88 HydrophobicContact CG-CB 3.92Å; Y54-Q88 PolarHBondContact OH-OE1 2.7Å |
| 89 | T | 91.2 | Very high | 91.9 | Very high | 75 Ų | 75 | 75.6 Ų | 75.6 | 46% | 0.46 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 136 | -174.9 | -52.6 | 0 | 0 | 0 | 0 | 109.3 | F33 Y34 | F33-T89 CarbonylContact O-C 3.38Å; F33-T89 VanDerWaalsContact O-CA 3.3Å; F33-T89 WeakPolarHBondContact O-CA 3.15Å; Y34-T89 WeakPolarHBondContact CD2-OG1 3Å |
| 90 | I | 92.9 | Very high | 92 | Very high | 7 Ų | 7 | 76.2 Ų | 76.2 | 4% | 0.036 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 132.9 | 171.4 | -58.5 | 166.9 | 0 | 0 | 0 | 107.4 | S32 F33 P57 F59 Y84 K87 F92 | S32-I90 CarbonylContact C-O 3.59Å; S32-I90 WeakPolarHBondContact CA-O 3.26Å; S32-I90 WeakPolarHBondContact CB-O 3.37Å; F33-I90 HydrophobicContact CB-CB 4.25Å; F33-I90 HydrophobicContact CD1-CD1 4.01Å; F33-I90 HydrophobicContact CD1-CG1 4.34Å; F33-I90 PolarHBondContact N-O 3.38Å; F33-I90 PolarHBondContact O-N 2.72Å; P57-I90 HydrophobicContact CG-CD1 3.5Å; P57-I90 VanDerWaalsContact CG-CD1 3.5Å; F59-I90 HydrophobicContact CE2-CD1 3.97Å; F59-I90 HydrophobicContact CZ-CD1 4.01Å; Y84-I90 HydrophobicContact CD1-CD1 3.63Å; Y84-I90 HydrophobicContact CE1-CD1 4.12Å; K87-I90 HydrophobicContact CB-CD1 4.3Å; K87-I90 HydrophobicContact CB-CG1 3.95Å; K87-I90 HydrophobicContact CG-CG1 4.44Å; I90-F92 HydrophobicContact CG2-CD1 3.81Å; I90-F92 HydrophobicContact CG2-CE1 3.75Å; I90-F92 HydrophobicContact CG2-CG 4.28Å; I90-F92 HydrophobicContact CG2-CZ 4.19Å |
| 91 | I | 91.3 | Very high | 92.3 | Very high | 125 Ų | 125 | 76.3 Ų | 76.3 | 64% | 0.641 | 41% | 0.406 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105 | 123.7 | 162.4 | -60.4 | 174.2 | 0 | 0 | 0 | 104.3 | ||
| 92 | F | 91.6 | Very high | 92.5 | Very high | 14 Ų | 14 | 75.1 Ų | 75.1 | 6% | 0.061 | 39% | 0.39 | C | S | . | . | trans | -84 | 127.2 | -175.7 | -65.2 | -73.8 | 0 | 0 | 0 | 109.9 | L9 L30 E31 F33 F59 F77 Y84 I90 L96 | L9-F92 HydrophobicContact CD1-CE2 4.06Å; L9-F92 HydrophobicContact CD1-CZ 4.5Å; L30-F92 HydrophobicContact CB-CB 4.16Å; L30-F92 HydrophobicContact CB-CD1 4.48Å; L30-F92 HydrophobicContact CB-CD2 3.46Å; L30-F92 VanDerWaalsContact CB-CD2 3.46Å; L30-F92 HydrophobicContact CB-CE2 3.88Å; L30-F92 HydrophobicContact CB-CG 3.79Å; L30-F92 HydrophobicContact CD1-CE1 4.5Å; L30-F92 HydrophobicContact CD1-CZ 4.46Å; L30-F92 WeakPolarHBondContact O-CB 3.43Å; E31-F92 PolarHBondContact O-N 2.81Å; F33-F92 HydrophobicContact CB-CE2 3.92Å; F33-F92 HydrophobicContact CB-CZ 3.96Å; F59-F92 HydrophobicContact CD1-CZ 4.44Å; F59-F92 AromaticContact CE1-CZ 3.86Å; F59-F92 HydrophobicContact CE1-CZ 3.86Å; F59-F92 HydrophobicContact CE2-CE1 4.08Å; F59-F92 AromaticContact CE2-CZ 4Å; F59-F92 HydrophobicContact CE2-CZ 4Å; F59-F92 HydrophobicContact CZ-CE1 4.17Å; F59-F92 AromaticContact CZ-CZ 3.62Å; F59-F92 HydrophobicContact CZ-CZ 3.62Å; F77-F92 AromaticContact CE2-CE1 3.92Å; F77-F92 HydrophobicContact CE2-CE1 3.92Å; Y84-F92 HydrophobicContact CE1-CE1 4.24Å; I90-F92 HydrophobicContact CG2-CD1 3.81Å; I90-F92 HydrophobicContact CG2-CE1 3.75Å; I90-F92 HydrophobicContact CG2-CG 4.28Å; I90-F92 HydrophobicContact CG2-CZ 4.19Å; F92-L96 HydrophobicContact CB-CD2 4.01Å; F92-L96 HydrophobicContact CD1-CD2 3.5Å; F92-L96 VanDerWaalsContact CD1-CD2 3.5Å; F92-L96 HydrophobicContact CE1-CD2 4.32Å; F92-L96 HydrophobicContact CG-CD2 4.07Å | ||
| 93 | D | 90.6 | Very high | 92.5 | Very high | 106 Ų | 106 | 72 Ų | 72 | 57% | 0.567 | 37% | 0.367 | S | S | * | . | trans | -89.9 | -177.6 | 172.5 | -60.2 | -35.5 | 0 | 0 | 0 | 110 | E95 N102 | D93-E95 PolarHBondContact O-N 3.4Å; D93-N102 WeakPolarHBondContact O-CB 3.33Å; D93-N102 PolarHBondContact O-ND2 2.87Å | ||
| 94 | D | 93.1 | Very high | 92.5 | Very high | 131 Ų | 131 | 69.1 Ų | 69.1 | 70% | 0.701 | 35% | 0.354 | S | S | * | . | S | Bend | trans | -61.3 | -24.4 | 178.9 | -66.4 | -13.4 | 0 | 0 | 0 | 113.1 | T101 N102 | D94-T101 CarbonylContact O-C 3.5Å; D94-T101 VanDerWaalsContact O-CA 3.23Å; D94-T101 WeakPolarHBondContact O-CA 3.41Å; D94-N102 PolarHBondContact O-N 3.16Å |
| 95 | E | 93.9 | Very high | 92.4 | Very high | 145 Ų | 145 | 71.3 Ų | 71.3 | 68% | 0.678 | 37% | 0.368 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 119.6 | 178.1 | -66.2 | -178.5 | -179.2 | 0 | 0 | 110.2 | D93 | D93-E95 PolarHBondContact O-N 3.4Å |
| 96 | L | 93.6 | Very high | 92.3 | Very high | 1 Ų | 1 | 66.4 Ų | 66.4 | 1% | 0.005 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | -35.5 | 175.7 | -58.1 | 178.9 | 0 | 0 | 0 | 111.1 | L30 F77 Y84 F92 I100 N102 L104 | L30-L96 HydrophobicContact CD1-CD1 3.84Å; L30-L96 HydrophobicContact CD1-CD2 4.43Å; F77-L96 HydrophobicContact CD1-CD1 4.27Å; F77-L96 HydrophobicContact CD2-CB 3.9Å; F77-L96 HydrophobicContact CD2-CD1 4.38Å; F77-L96 HydrophobicContact CE1-CD1 3.9Å; F77-L96 HydrophobicContact CE2-CB 4.22Å; F77-L96 HydrophobicContact CE2-CD1 4.02Å; F77-L96 HydrophobicContact CE2-CD2 4.22Å; F77-L96 HydrophobicContact CE2-CG 4.39Å; F77-L96 HydrophobicContact CG-CB 4.16Å; F77-L96 HydrophobicContact CZ-CD1 3.8Å; Y84-L96 WeakPolarHBondContact CE2-O 3.38Å; Y84-L96 PolarHBondContact OH-O 2.86Å; F92-L96 HydrophobicContact CB-CD2 4.01Å; F92-L96 HydrophobicContact CD1-CD2 3.5Å; F92-L96 VanDerWaalsContact CD1-CD2 3.5Å; F92-L96 HydrophobicContact CE1-CD2 4.32Å; F92-L96 HydrophobicContact CG-CD2 4.07Å; L96-I100 HydrophobicContact CB-CB 4.39Å; L96-I100 HydrophobicContact CB-CG2 4.2Å; L96-I100 WeakPolarHBondContact CB-O 3.48Å; L96-I100 HydrophobicContact CD1-CG2 3.93Å; L96-I100 PolarHBondContact N-O 3.23Å; L96-N102 HydrophobicContact CD1-CB 4.34Å; L96-N102 HydrophobicContact CD2-CB 4.07Å; L96-N102 HydrophobicContact CG-CB 4.05Å; L96-L104 HydrophobicContact CD1-CD2 3.71Å; L96-L104 HydrophobicContact CD1-CG 4.43Å |
| 97 | N | 91.8 | Very high | 92.1 | Very high | 61 Ų | 61 | 67.6 Ų | 67.6 | 33% | 0.326 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.3 | -173.4 | 166 | 68.3 | 24.7 | 0 | 0 | 0 | 109.7 | N99 I100 | N97-N99 PolarHBondContact O-N 2.8Å; N97-N99 PolarHBondContact OD1-N 2.81Å; N97-I100 PolarHBondContact N-O 3.24Å; N97-I100 PolarHBondContact O-N 3.08Å; N97-I100 VanDerWaalsContact OD1-CB 3.31Å; N97-I100 WeakPolarHBondContact OD1-CB 3.29Å; N97-I100 WeakPolarHBondContact OD1-CG1 3.33Å; N97-I100 PolarHBondContact OD1-N 2.66Å |
| 98 | E | 90.8 | Very high | 91.6 | Very high | 189 Ų | 189 | 64.3 Ų | 64.3 | 88% | 0.883 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.9 | -22.2 | -178.5 | -62.9 | -176.9 | 171 | 0 | 0 | 115.1 | ||
| 99 | N | 93.2 | Very high | 91.2 | Very high | 149 Ų | 149 | 65.5 Ų | 65.5 | 80% | 0.797 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -125.4 | -4.2 | -173.3 | -62.2 | -64.4 | 0 | 0 | 0 | 114.2 | N97 | N97-N99 PolarHBondContact O-N 2.8Å; N97-N99 PolarHBondContact OD1-N 2.81Å |
| 100 | I | 94.8 | Very high | 90.7 | Very high | 19 Ų | 19 | 67.2 Ų | 67.2 | 10% | 0.097 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 119.6 | -172.9 | -57.6 | 176.9 | 0 | 0 | 0 | 108.5 | Y75 E76 F77 L96 N97 L104 | Y75-I100 HydrophobicContact CD1-CD1 4.06Å; Y75-I100 HydrophobicContact CD1-CG1 4.15Å; Y75-I100 HydrophobicContact CD1-CG2 3.78Å; Y75-I100 HydrophobicContact CE1-CG2 4.27Å; E76-I100 VanDerWaalsContact O-CD1 3.24Å; E76-I100 WeakPolarHBondContact O-CD1 3.31Å; F77-I100 HydrophobicContact CB-CD1 4.16Å; F77-I100 HydrophobicContact CD1-CD1 4.43Å; L96-I100 HydrophobicContact CB-CB 4.39Å; L96-I100 HydrophobicContact CB-CG2 4.2Å; L96-I100 WeakPolarHBondContact CB-O 3.48Å; L96-I100 HydrophobicContact CD1-CG2 3.93Å; L96-I100 PolarHBondContact N-O 3.23Å; N97-I100 PolarHBondContact N-O 3.24Å; N97-I100 PolarHBondContact O-N 3.08Å; N97-I100 VanDerWaalsContact OD1-CB 3.31Å; N97-I100 WeakPolarHBondContact OD1-CB 3.29Å; N97-I100 WeakPolarHBondContact OD1-CG1 3.33Å; N97-I100 PolarHBondContact OD1-N 2.66Å; I100-L104 HydrophobicContact CG2-CD2 3.44Å; I100-L104 VanDerWaalsContact CG2-CD2 3.44Å |
| 101 | T | 95 | Very high | 90 | Very high | 84 Ų | 84 | 68.1 Ų | 68.1 | 52% | 0.515 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 162.1 | 175.2 | 57.4 | 0 | 0 | 0 | 0 | 111.4 | D94 P103 | D94-T101 CarbonylContact O-C 3.5Å; D94-T101 VanDerWaalsContact O-CA 3.23Å; D94-T101 WeakPolarHBondContact O-CA 3.41Å; T101-P103 CarbonylContact O-C 3.57Å |
| 102 | N | 92 | Very high | 89.5 | Confident | 15 Ų | 15 | 64.3 Ų | 64.3 | 8% | 0.08 | 35% | 0.349 | C | S | . | . | S | Bend | trans | -108.7 | 123 | 168 | -168.5 | 22 | 0 | 0 | 0 | 108.1 | E29 L30 D93 D94 L96 | E29-N102 WeakPolarHBondContact CA-OD1 3.47Å; L30-N102 PolarHBondContact N-OD1 2.88Å; L30-N102 PolarHBondContact O-ND2 3.22Å; D93-N102 WeakPolarHBondContact O-CB 3.33Å; D93-N102 PolarHBondContact O-ND2 2.87Å; D94-N102 PolarHBondContact O-N 3.16Å; L96-N102 HydrophobicContact CD1-CB 4.34Å; L96-N102 HydrophobicContact CD2-CB 4.07Å; L96-N102 HydrophobicContact CG-CB 4.05Å |
| 103 | P | 91.7 | Very high | 89 | Confident | 40 Ų | 40 | 68.8 Ų | 68.8 | 26% | 0.26 | 37% | 0.373 | S | S | . | . | S | Bend | cis | -75.3 | 154 | 5.7 | 31.6 | -36.2 | 0 | 0 | 0 | 114.3 | L27 V28 E29 T101 | L27-P103 HydrophobicContact CB-CB 4.23Å; L27-P103 HydrophobicContact CB-CG 4.5Å; L27-P103 HydrophobicContact CD1-CG 4.24Å; L27-P103 HydrophobicContact CD2-CG 4.36Å; V28-P103 CarbonylContact O-C 3.54Å; V28-P103 WeakPolarHBondContact O-CA 3.14Å; E29-P103 HydrophobicContact CB-CB 4.07Å; T101-P103 CarbonylContact O-C 3.57Å |
| 104 | L | 93 | Very high | 88.9 | Confident | 1 Ų | 1 | 65.3 Ų | 65.3 | 1% | 0.005 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 144.5 | 168.2 | -54.3 | 176.3 | 0 | 0 | 0 | 110.3 | L27 V28 L30 I61 Y75 L96 I100 F106 | L27-L104 CarbonylContact C-O 3.42Å; L27-L104 VanDerWaalsContact CA-O 3.31Å; L27-L104 WeakPolarHBondContact CA-O 3.46Å; V28-L104 HydrophobicContact CB-CB 4.22Å; V28-L104 PolarHBondContact N-O 3.14Å; V28-L104 PolarHBondContact O-N 3.11Å; L30-L104 HydrophobicContact CD1-CD1 4.44Å; I61-L104 HydrophobicContact CB-CD1 3.69Å; I61-L104 HydrophobicContact CG1-CD1 3.71Å; I61-L104 HydrophobicContact CG2-CD1 3.75Å; Y75-L104 HydrophobicContact CD1-CD2 3.86Å; Y75-L104 HydrophobicContact CD2-CB 3.94Å; Y75-L104 HydrophobicContact CD2-CD1 4.08Å; Y75-L104 HydrophobicContact CD2-CD2 4.04Å; Y75-L104 HydrophobicContact CD2-CG 4.26Å; Y75-L104 HydrophobicContact CE1-CD2 4.27Å; Y75-L104 HydrophobicContact CE2-CB 3.88Å; Y75-L104 HydrophobicContact CE2-CD2 4.45Å; Y75-L104 HydrophobicContact CG-CB 4.47Å; Y75-L104 HydrophobicContact CG-CD1 4.23Å; Y75-L104 HydrophobicContact CG-CD2 3.71Å; Y75-L104 HydrophobicContact CG-CG 4.38Å; L96-L104 HydrophobicContact CD1-CD2 3.71Å; L96-L104 HydrophobicContact CD1-CG 4.43Å; I100-L104 HydrophobicContact CG2-CD2 3.44Å; I100-L104 VanDerWaalsContact CG2-CD2 3.44Å; L104-F106 HydrophobicContact CB-CE2 4.02Å |
| 105 | V | 90.9 | Very high | 88.7 | Confident | 55 Ų | 55 | 59.2 Ų | 59.2 | 33% | 0.333 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 105.6 | -172.8 | -172.2 | 0 | 0 | 0 | 0 | 111.2 | T25 L27 Y75 | T25-V105 HydrophobicContact CG2-CG1 3.54Å; L27-V105 HydrophobicContact CD2-CB 4.3Å; L27-V105 HydrophobicContact CD2-CG1 4.14Å; L27-V105 HydrophobicContact CD2-CG2 3.77Å; Y75-V105 PolarHBondContact OH-N 3.22Å; Y75-V105 PolarHBondContact OH-O 2.94Å |
| 106 | F | 90.4 | Very high | 88.5 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 129.9 | 174.3 | -58.9 | -88 | 0 | 0 | 0 | 111 | T25 I26 V28 I61 L63 Q73 Y75 L104 L117 | T25-F106 CarbonylContact C-O 3.45Å; T25-F106 WeakPolarHBondContact CA-O 3.2Å; I26-F106 HydrophobicContact CB-CB 4.22Å; I26-F106 PolarHBondContact N-O 2.94Å; I26-F106 PolarHBondContact O-N 2.82Å; V28-F106 HydrophobicContact CB-CE2 4.22Å; V28-F106 HydrophobicContact CG2-CD2 3.92Å; V28-F106 HydrophobicContact CG2-CE2 3.68Å; I61-F106 HydrophobicContact CG2-CE2 4.36Å; I61-F106 HydrophobicContact CG2-CZ 3.96Å; L63-F106 HydrophobicContact CB-CD1 3.59Å; L63-F106 HydrophobicContact CB-CE1 3.89Å; L63-F106 HydrophobicContact CB-CG 4.14Å; L63-F106 HydrophobicContact CD2-CB 3.94Å; L63-F106 HydrophobicContact CD2-CD1 4.38Å; L63-F106 HydrophobicContact CD2-CG 4.36Å; Q73-F106 HydrophobicContact CB-CD1 3.64Å; Q73-F106 HydrophobicContact CB-CE1 4.1Å; Y75-F106 HydrophobicContact CD2-CD1 4.45Å; Y75-F106 AromaticContact CD2-CE1 3.66Å; Y75-F106 HydrophobicContact CD2-CE1 3.66Å; Y75-F106 HydrophobicContact CD2-CE2 4.17Å; Y75-F106 AromaticContact CD2-CZ 3.49Å; Y75-F106 HydrophobicContact CD2-CZ 3.49Å; Y75-F106 VanDerWaalsContact CD2-CZ 3.49Å; Y75-F106 HydrophobicContact CE2-CD1 4.15Å; Y75-F106 AromaticContact CE2-CE1 3.81Å; Y75-F106 HydrophobicContact CE2-CE1 3.81Å; Y75-F106 HydrophobicContact CE2-CE2 4.19Å; Y75-F106 AromaticContact CE2-CZ 3.83Å; Y75-F106 HydrophobicContact CE2-CZ 3.83Å; L104-F106 HydrophobicContact CB-CE2 4.02Å; F106-L117 HydrophobicContact CD2-CD1 4.37Å; F106-L117 HydrophobicContact CE2-CD1 3.78Å; F106-L117 HydrophobicContact CZ-CD1 3.89Å |
| 107 | T | 87.6 | Confident | 88.2 | Confident | 71 Ų | 71 | 52.2 Ų | 52.2 | 44% | 0.436 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 111.3 | 176.5 | -56.8 | 0 | 0 | 0 | 0 | 110.6 | Q73 | Q73-T107 PolarHBondContact NE2-O 2.88Å |
| 108 | V | 84 | Confident | 88 | Confident | 7 Ų | 7 | 50.2 Ų | 50.2 | 4% | 0.042 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 121.1 | 178.5 | 179.5 | 0 | 0 | 0 | 0 | 109.3 | N23 V24 I26 L63 W111 L115 | N23-V108 CarbonylContact C-O 3.55Å; N23-V108 WeakPolarHBondContact CA-O 3.25Å; V24-V108 HydrophobicContact CB-CB 4.5Å; V24-V108 PolarHBondContact N-O 2.97Å; V24-V108 PolarHBondContact O-N 2.9Å; I26-V108 HydrophobicContact CD1-CG2 4Å; L63-V108 HydrophobicContact CD2-CG2 3.36Å; V108-W111 HydrophobicContact CB-CE3 4.4Å; V108-W111 HydrophobicContact CG1-CE3 4.28Å; V108-L115 HydrophobicContact CB-CD1 4.41Å; V108-L115 HydrophobicContact CG1-CD1 3.85Å; V108-L115 HydrophobicContact CG2-CD1 3.83Å |
| 109 | S | 82.3 | Confident | 87.9 | Confident | 81 Ų | 81 | 41.3 Ų | 41.3 | 57% | 0.566 | 24% | 0.239 | S | C | * | . | S | Bend | trans | -87.3 | 139.5 | 163.8 | -59 | 0 | 0 | 0 | 0 | 110.7 | N23 | N23-S109 VanDerWaalsContact OD1-CA 3.25Å; N23-S109 WeakPolarHBondContact OD1-CA 3.33Å; N23-S109 WeakPolarHBondContact OD1-CB 3.1Å; N23-S109 PolarHBondContact OD1-OG 3Å |
| 110 | N | 79.4 | Confident | 87.6 | Confident | 110 Ų | 110 | 35.3 Ų | 35.3 | 59% | 0.588 | 21% | 0.206 | S | C | * | . | S | Bend | trans | 57.4 | 66.3 | -177.7 | -62.5 | -37 | 0 | 0 | 0 | 113.3 | T22 T112 | T22-N110 WeakPolarHBondContact O-CA 3.29Å; T22-N110 PolarHBondContact O-N 3.37Å; T22-N110 PolarHBondContact OG1-OD1 3.4Å; N110-T112 PolarHBondContact O-N 3.08Å |
| 111 | W | 79.1 | Confident | 87.4 | Confident | 26 Ų | 26 | 34.6 Ų | 34.6 | 10% | 0.098 | 20% | 0.203 | C | C | . | . | trans | -45.1 | 135.5 | 177.2 | 179.3 | -97 | 0 | 0 | 0 | 113.1 | T22 V24 I26 V108 L115 L139 L142 P145 | T22-W111 WeakPolarHBondContact O-CB 3.16Å; T22-W111 PolarHBondContact O-N 2.72Å; V24-W111 HydrophobicContact CB-CD2 4.35Å; V24-W111 HydrophobicContact CB-CE3 3.62Å; V24-W111 HydrophobicContact CB-CZ3 4.28Å; V24-W111 HydrophobicContact CG1-CE3 3.81Å; V24-W111 HydrophobicContact CG1-CZ3 4.02Å; V24-W111 HydrophobicContact CG2-CB 3.73Å; V24-W111 HydrophobicContact CG2-CD2 3.81Å; V24-W111 HydrophobicContact CG2-CE3 3.59Å; V24-W111 HydrophobicContact CG2-CG 3.85Å; I26-W111 HydrophobicContact CD1-CH2 4.38Å; I26-W111 HydrophobicContact CD1-CZ3 3.77Å; I26-W111 HydrophobicContact CG1-CZ3 4.27Å; V108-W111 HydrophobicContact CB-CE3 4.4Å; V108-W111 HydrophobicContact CG1-CE3 4.28Å; W111-L115 HydrophobicContact CE3-CD1 3.74Å; W111-L115 HydrophobicContact CH2-CB 4.43Å; W111-L115 HydrophobicContact CH2-CD1 3.68Å; W111-L115 HydrophobicContact CZ2-CD1 4.48Å; W111-L115 HydrophobicContact CZ3-CD1 3.31Å; W111-L139 HydrophobicContact CH2-CB 4.33Å; W111-L142 HydrophobicContact CH2-CB 3.93Å; W111-L142 HydrophobicContact CH2-CD1 3.52Å; W111-L142 HydrophobicContact CH2-CG 4.02Å; W111-L142 HydrophobicContact CZ2-CB 3.54Å; W111-L142 HydrophobicContact CZ2-CD1 4.07Å; W111-L142 HydrophobicContact CZ2-CG 4.12Å; W111-L142 HydrophobicContact CZ3-CD1 4.21Å; W111-P145 HydrophobicContact CB-CG 4.14Å; W111-P145 HydrophobicContact CG-CG 4.04Å | ||
| 112 | T | 80.8 | Confident | 87.2 | Confident | 46 Ų | 46 | 32.6 Ų | 32.6 | 28% | 0.282 | 19% | 0.187 | S | C | . | . | trans | -141.4 | 150.5 | 172.2 | 57.8 | 0 | 0 | 0 | 0 | 108.5 | N110 D114 | N110-T112 PolarHBondContact O-N 3.08Å; T112-D114 PolarHBondContact O-N 3Å; T112-D114 VanDerWaalsContact O-N 3.1Å | ||
| 113 | D | 81.2 | Confident | 87.2 | Confident | 107 Ų | 107 | 32 Ų | 32 | 57% | 0.572 | 18% | 0.184 | S | C | * | . | S | Bend | trans | -66.7 | -1.9 | 169.7 | 61.1 | -13.5 | 0 | 0 | 0 | 113.8 | K66 L115 | K66-D113 WeakPolarHBondContact CE-O 3.4Å; K66-D113 PolarHBondContact NZ-O 2.89Å; D113-L115 PolarHBondContact O-N 2.78Å; D113-L115 VanDerWaalsContact O-N 3.15Å |
| 114 | D | 88.3 | Confident | 87.1 | Confident | 34 Ų | 34 | 33.1 Ų | 33.1 | 18% | 0.182 | 19% | 0.186 | C | C | . | . | trans | -80.7 | 26.8 | 177.7 | -170.2 | 49.2 | 0 | 0 | 0 | 114.2 | K65 K66 S67 T112 | K65-D114 CarbonylContact C-O 3.57Å; K65-D114 WeakPolarHBondContact CA-O 3.42Å; K65-D114 WeakPolarHBondContact CG-OD2 3.43Å; K66-D114 VanDerWaalsContact CB-OD1 3.3Å; K66-D114 WeakPolarHBondContact CB-OD1 3.42Å; K66-D114 VanDerWaalsContact CE-CA 3.44Å; K66-D114 PolarHBondContact N-O 2.59Å; S67-D114 WeakPolarHBondContact CB-OD2 3.13Å; S67-D114 PolarHBondContact N-OD1 3.37Å; S67-D114 VanDerWaalsContact N-OD1 3.1Å; S67-D114 PolarHBondContact N-OD2 3.02Å; S67-D114 PolarHBondContact OG-OD2 2.86Å; T112-D114 PolarHBondContact O-N 3Å; T112-D114 VanDerWaalsContact O-N 3.1Å | ||
| 115 | L | 88.8 | Confident | 86.3 | Confident | 2 Ų | 2 | 33.9 Ų | 33.9 | 1% | 0.01 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 150 | -179.3 | -65.8 | 172.7 | 0 | 0 | 0 | 112.4 | L63 T64 K65 I72 V108 W111 D113 L139 | L63-L115 HydrophobicContact CD1-CB 4.39Å; L63-L115 HydrophobicContact CG-CD2 4.43Å; T64-L115 WeakPolarHBondContact O-CA 3.37Å; K65-L115 HydrophobicContact CB-CD2 4.24Å; K65-L115 HydrophobicContact CG-CD2 4.49Å; I72-L115 HydrophobicContact CD1-CD2 3.81Å; V108-L115 HydrophobicContact CB-CD1 4.41Å; V108-L115 HydrophobicContact CG1-CD1 3.85Å; V108-L115 HydrophobicContact CG2-CD1 3.83Å; W111-L115 HydrophobicContact CE3-CD1 3.74Å; W111-L115 HydrophobicContact CH2-CB 4.43Å; W111-L115 HydrophobicContact CH2-CD1 3.68Å; W111-L115 HydrophobicContact CZ2-CD1 4.48Å; W111-L115 HydrophobicContact CZ3-CD1 3.31Å; D113-L115 PolarHBondContact O-N 2.78Å; D113-L115 VanDerWaalsContact O-N 3.15Å; L115-L139 HydrophobicContact CB-CB 4.25Å; L115-L139 HydrophobicContact CB-CD1 4.26Å; L115-L139 PolarHBondContact O-N 2.89Å |
| 116 | A | 89.1 | Confident | 85.2 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 144.2 | 171.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | T64 K66 Q136 I137 | T64-A116 PolarHBondContact N-O 2.76Å; T64-A116 PolarHBondContact O-N 3.43Å; K66-A116 HydrophobicContact CD-CB 4.23Å; K66-A116 HydrophobicContact CG-CB 3.91Å; A116-Q136 HydrophobicContact CB-CG 3.89Å; A116-I137 CarbonylContact C-O 3.57Å; A116-I137 WeakPolarHBondContact CA-O 3.47Å; A116-I137 WeakPolarHBondContact CB-O 3.46Å |
| 117 | L | 88.8 | Confident | 84 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 127.4 | 165.2 | -162.1 | 82.8 | 0 | 0 | 0 | 108.8 | F13 V28 I61 C62 L63 F106 V119 Q136 I137 | F13-L117 HydrophobicContact CD1-CD2 4.23Å; F13-L117 HydrophobicContact CE1-CB 3.58Å; F13-L117 HydrophobicContact CE1-CD2 3.15Å; F13-L117 HydrophobicContact CE1-CG 3.91Å; F13-L117 HydrophobicContact CZ-CB 4.09Å; F13-L117 HydrophobicContact CZ-CD2 3.37Å; F13-L117 HydrophobicContact CZ-CG 4.31Å; V28-L117 HydrophobicContact CB-CD2 4.45Å; V28-L117 HydrophobicContact CG1-CD2 3.77Å; V28-L117 HydrophobicContact CG2-CD1 4.17Å; V28-L117 HydrophobicContact CG2-CD2 3.86Å; I61-L117 HydrophobicContact CG2-CD1 4.04Å; I61-L117 HydrophobicContact CG2-CD2 3.74Å; I61-L117 HydrophobicContact CG2-CG 4.11Å; C62-L117 WeakPolarHBondContact O-CA 3.21Å; L63-L117 HydrophobicContact CB-CD1 4.46Å; L63-L117 HydrophobicContact CD1-CD1 4.42Å; F106-L117 HydrophobicContact CD2-CD1 4.37Å; F106-L117 HydrophobicContact CE2-CD1 3.78Å; F106-L117 HydrophobicContact CZ-CD1 3.89Å; L117-V119 HydrophobicContact CD2-CG2 4.09Å; L117-Q136 CarbonylContact O-C 3.57Å; L117-Q136 VanDerWaalsContact O-CA 3.28Å; L117-Q136 WeakPolarHBondContact O-CA 3.38Å; L117-I137 HydrophobicContact CB-CG2 4.05Å; L117-I137 PolarHBondContact N-O 2.02Å; L117-I137 PolarHBondContact O-N 3Å |
| 118 | S | 87 | Confident | 83.1 | Confident | 18 Ų | 18 | 46.1 Ų | 46.1 | 13% | 0.126 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 138.9 | 174.7 | -56.6 | 0 | 0 | 0 | 0 | 108.8 | C62 T64 S135 | C62-S118 PolarHBondContact N-O 3.28Å; C62-S118 PolarHBondContact O-N 2.77Å; T64-S118 PolarHBondContact OG1-OG 2.81Å; S118-S135 WeakPolarHBondContact CA-O 3.47Å |
| 119 | V | 87.7 | Confident | 83 | Confident | 3 Ų | 3 | 50 Ų | 50 | 2% | 0.018 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 114.4 | -179.3 | -179.6 | 0 | 0 | 0 | 0 | 107.9 | L9 I11 I61 L117 V121 R134 S135 F158 | L9-V119 HydrophobicContact CD2-CB 4.38Å; L9-V119 HydrophobicContact CD2-CG1 3.28Å; I11-V119 HydrophobicContact CD1-CB 4.36Å; I11-V119 HydrophobicContact CD1-CG1 4.13Å; I11-V119 HydrophobicContact CD1-CG2 3.56Å; I61-V119 HydrophobicContact CD1-CB 4.03Å; I61-V119 HydrophobicContact CD1-CG1 3.37Å; I61-V119 HydrophobicContact CD1-CG2 3.81Å; I61-V119 HydrophobicContact CG2-CG2 4.41Å; L117-V119 HydrophobicContact CD2-CG2 4.09Å; V119-V121 HydrophobicContact CG1-CG2 4.42Å; V119-R134 CarbonylContact O-C 3.43Å; V119-R134 WeakPolarHBondContact O-CA 3.45Å; V119-S135 PolarHBondContact N-O 2.95Å; V119-S135 PolarHBondContact O-N 3.09Å; V119-F158 HydrophobicContact CG2-CD2 4.34Å; V119-F158 HydrophobicContact CG2-CE2 3.85Å; V119-F158 HydrophobicContact CG2-CZ 4.25Å |
| 120 | D | 88.1 | Confident | 83.2 | Confident | 23 Ų | 23 | 46.9 Ų | 46.9 | 12% | 0.123 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 134.8 | 173.2 | -63.7 | -24 | 0 | 0 | 0 | 108.8 | V60 F122 R134 | V60-D120 HydrophobicContact CB-CB 4.26Å; V60-D120 PolarHBondContact N-O 2.84Å; V60-D120 PolarHBondContact O-N 2.83Å; D120-F122 HydrophobicContact CB-CD2 4.25Å; D120-F122 HydrophobicContact CB-CE2 3.4Å; D120-F122 HydrophobicContact CB-CZ 3.73Å; D120-R134 VanDerWaalsContact CG-NE 3.32Å; D120-R134 WeakPolarHBondContact OD1-CB 3.41Å; D120-R134 WeakPolarHBondContact OD1-CD 3.03Å; D120-R134 WeakPolarHBondContact OD1-CG 3.45Å; D120-R134 IonicContact OD1-CZ 2.64Å; D120-R134 IonicContact OD1-NE 3.62Å; D120-R134 PolarHBondContact OD1-NE 2.83Å; D120-R134 IonicContact OD1-NH2 3.59Å; D120-R134 IonicContact OD2-CZ 3.06Å; D120-R134 IonicContact OD2-NE 2.73Å; D120-R134 PolarHBondContact OD2-NE 3.11Å; D120-R134 IonicContact OD2-NH2 3.42Å; D120-R134 PolarHBondContact OD2-NH2 2.84Å |
| 121 | V | 90.9 | Very high | 83.6 | Confident | 4 Ų | 4 | 42.7 Ų | 42.7 | 2% | 0.024 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 125.7 | 171.6 | -167.1 | 0 | 0 | 0 | 0 | 107.7 | L9 F33 P57 Y58 F59 V119 L132 G133 | L9-V121 HydrophobicContact CD2-CG2 4.4Å; F33-V121 HydrophobicContact CE2-CB 4.39Å; F33-V121 HydrophobicContact CE2-CG1 3.87Å; F33-V121 HydrophobicContact CE2-CG2 4.19Å; F33-V121 HydrophobicContact CZ-CG1 3.97Å; P57-V121 HydrophobicContact CB-CG1 3.73Å; Y58-V121 CarbonylContact O-C 3.51Å; Y58-V121 WeakPolarHBondContact O-CA 3.06Å; F59-V121 HydrophobicContact CD1-CB 4.49Å; F59-V121 HydrophobicContact CD1-CG1 4.08Å; F59-V121 HydrophobicContact CD1-CG2 3.72Å; F59-V121 HydrophobicContact CE1-CG1 3.91Å; F59-V121 HydrophobicContact CE1-CG2 3.86Å; F59-V121 HydrophobicContact CZ-CG1 4.37Å; V119-V121 HydrophobicContact CG1-CG2 4.42Å; V121-L132 HydrophobicContact CB-CB 4.36Å; V121-L132 HydrophobicContact CG1-CB 4.39Å; V121-L132 HydrophobicContact CG1-CD1 4.1Å; V121-L132 WeakPolarHBondContact O-CA 3.27Å; V121-L132 WeakPolarHBondContact O-CB 3.1Å; V121-L132 PolarHBondContact O-N 2.79Å; V121-G133 PolarHBondContact N-O 2.7Å; V121-G133 PolarHBondContact O-N 3.08Å |
| 122 | F | 90.9 | Very high | 84 | Confident | 41 Ų | 41 | 41.4 Ų | 41.4 | 18% | 0.18 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 160 | 177.1 | -57.1 | -89.5 | 0 | 0 | 0 | 109.7 | P57 Y58 V60 D120 S130 L131 | P57-F122 CarbonylContact C-O 3.56Å; P57-F122 VanDerWaalsContact CA-O 3.29Å; P57-F122 WeakPolarHBondContact CA-O 3.23Å; Y58-F122 HydrophobicContact CD1-CB 4.32Å; Y58-F122 HydrophobicContact CD1-CD2 4.03Å; Y58-F122 PolarHBondContact N-O 2.95Å; Y58-F122 PolarHBondContact O-N 3.37Å; V60-F122 HydrophobicContact CB-CE2 4.22Å; V60-F122 HydrophobicContact CG2-CD2 3.95Å; V60-F122 HydrophobicContact CG2-CE2 3.69Å; D120-F122 HydrophobicContact CB-CD2 4.25Å; D120-F122 HydrophobicContact CB-CE2 3.4Å; D120-F122 HydrophobicContact CB-CZ 3.73Å; F122-S130 CarbonylContact C-O 3.41Å; F122-S130 VanDerWaalsContact CA-O 3.25Å; F122-S130 WeakPolarHBondContact CA-O 3.24Å; F122-L131 HydrophobicContact CD1-CB 4.45Å; F122-L131 HydrophobicContact CD1-CD1 4.12Å; F122-L131 HydrophobicContact CE1-CD1 3.8Å; F122-L131 HydrophobicContact CZ-CD1 4.24Å |
| 123 | N | 91 | Very high | 84.1 | Confident | 2 Ų | 2 | 39.5 Ų | 39.5 | 1% | 0.011 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 122.9 | 159.9 | -175.6 | 59.4 | 0 | 0 | 0 | 106.6 | T40 C46 C55 S56 T129 S130 L132 | T40-N123 HydrophobicContact CG2-CB 4.18Å; C46-N123 PolarHBondContact O-ND2 2.65Å; C55-N123 VanDerWaalsContact CA-OD1 3.23Å; C55-N123 WeakPolarHBondContact CA-OD1 3.03Å; C55-N123 HydrophobicContact CB-CB 4.36Å; C55-N123 VanDerWaalsContact CB-OD1 3.24Å; C55-N123 WeakPolarHBondContact CB-OD1 3.49Å; S56-N123 PolarHBondContact N-OD1 2.77Å; N123-T129 WeakPolarHBondContact O-CA 3.3Å; N123-S130 PolarHBondContact N-O 3.49Å; N123-S130 PolarHBondContact O-N 3.45Å; N123-S130 VanDerWaalsContact O-N 3.12Å; N123-L132 HydrophobicContact CB-CD1 4.44Å; N123-L132 HydrophobicContact CB-CD2 3.85Å; N123-L132 HydrophobicContact CB-CG 4.17Å |
| 124 | E | 89.1 | Confident | 84.3 | Confident | 64 Ų | 64 | 41 Ų | 41 | 30% | 0.299 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 105.6 | 169.4 | -173.8 | 168.3 | -133.2 | 0 | 0 | 108.6 | S56 G79 | S56-E124 PolarHBondContact O-N 2.87Å; G79-E124 WeakPolarHBondContact CA-OE2 3.35Å |
| 125 | E | 77 | Confident | 84 | Confident | 17 Ų | 17 | 39.9 Ų | 39.9 | 8% | 0.079 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 109.2 | 174 | -163.5 | -152.9 | 166 | 0 | 0 | 107.9 | D47 H48 I127 V128 | D47-E125 WeakPolarHBondContact CA-OE1 3.21Å; H48-E125 IonicContact CD2-OE2 3.31Å; H48-E125 PolarHBondContact CD2-OE2 3.22Å; H48-E125 PolarHBondContact N-OE1 3.22Å; H48-E125 PolarHBondContact N-OE2 3.1Å; E125-I127 PolarHBondContact O-N 3.23Å; E125-V128 PolarHBondContact N-O 3.1Å; E125-V128 PolarHBondContact O-N 3.17Å |
| 126 | F | 67.8 | Low | 83.8 | Confident | 157 Ų | 157 | 44.4 Ų | 44.4 | 69% | 0.689 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.2 | -106.1 | -176 | -58.2 | -78.6 | 0 | 0 | 0 | 113.7 | ||
| 127 | I | 65.6 | Low | 83.4 | Confident | 167 Ų | 167 | 44.7 Ų | 44.7 | 86% | 0.856 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -106.7 | 1.7 | -176.8 | 59.2 | 172.2 | 0 | 0 | 0 | 112.4 | E125 | E125-I127 PolarHBondContact O-N 3.23Š|
| 128 | V | 68.9 | Low | 83.3 | Confident | 60 Ų | 60 | 46.8 Ų | 46.8 | 36% | 0.364 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 111.4 | -174.7 | -175.2 | 0 | 0 | 0 | 0 | 109.3 | E125 | E125-V128 PolarHBondContact N-O 3.1Å; E125-V128 PolarHBondContact O-N 3.17Å |
| 129 | T | 80.2 | Confident | 83 | Confident | 89 Ų | 89 | 46 Ų | 46 | 55% | 0.546 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 123.5 | 166.6 | 51.9 | 0 | 0 | 0 | 0 | 109.5 | N123 | N123-T129 WeakPolarHBondContact O-CA 3.3Å |
| 130 | S | 87.2 | Confident | 82.6 | Confident | 14 Ų | 14 | 50.4 Ų | 50.4 | 10% | 0.098 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 134.5 | 179.8 | -69.7 | 0 | 0 | 0 | 0 | 110.9 | T40 F122 N123 L132 | T40-S130 VanDerWaalsContact CG2-CB 3.48Å; F122-S130 CarbonylContact C-O 3.41Å; F122-S130 VanDerWaalsContact CA-O 3.25Å; F122-S130 WeakPolarHBondContact CA-O 3.24Å; N123-S130 PolarHBondContact N-O 3.49Å; N123-S130 PolarHBondContact O-N 3.45Å; N123-S130 VanDerWaalsContact O-N 3.12Å; S130-L132 PolarHBondContact O-N 2.9Å |
| 131 | L | 88.3 | Confident | 81.9 | Confident | 22 Ų | 22 | 51.6 Ų | 51.6 | 12% | 0.115 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.2 | 132.1 | -177.3 | -170.4 | 69.6 | 0 | 0 | 0 | 111.6 | T40 F41 Y42 F122 G133 R134 | T40-L131 WeakPolarHBondContact CB-O 3.4Å; F41-L131 HydrophobicContact CB-CB 4.37Å; F41-L131 HydrophobicContact CB-CG 4.47Å; F41-L131 WeakPolarHBondContact CB-O 3.36Å; F41-L131 HydrophobicContact CG-CD2 4.4Å; F41-L131 PolarHBondContact N-O 2.79Å; Y42-L131 HydrophobicContact CE2-CB 4.14Å; F122-L131 HydrophobicContact CD1-CB 4.45Å; F122-L131 HydrophobicContact CD1-CD1 4.12Å; F122-L131 HydrophobicContact CE1-CD1 3.8Å; F122-L131 HydrophobicContact CZ-CD1 4.24Å; L131-G133 WeakPolarHBondContact CD1-O 3.3Å; L131-R134 HydrophobicContact CD1-CB 4.29Å; L131-R134 HydrophobicContact CD2-CB 4.39Å |
| 132 | L | 87.2 | Confident | 81.1 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | -41.1 | 167.9 | -61.4 | -173.2 | 0 | 0 | 0 | 111.2 | F33 Y35 T40 C55 P57 V121 N123 S130 | F33-L132 HydrophobicContact CZ-CD1 4.47Å; Y35-L132 HydrophobicContact CD1-CD1 4.41Å; Y35-L132 HydrophobicContact CD2-CB 4.32Å; Y35-L132 HydrophobicContact CE1-CD1 4.43Å; Y35-L132 HydrophobicContact CE1-CD2 3.82Å; Y35-L132 HydrophobicContact CE1-CG 4.5Å; Y35-L132 HydrophobicContact CE2-CB 3.82Å; Y35-L132 HydrophobicContact CE2-CD2 4.48Å; T40-L132 HydrophobicContact CG2-CD2 4.03Å; C55-L132 HydrophobicContact CB-CD1 3.7Å; C55-L132 HydrophobicContact CB-CD2 3.99Å; C55-L132 HydrophobicContact CB-CG 4.5Å; P57-L132 HydrophobicContact CB-CD1 4.31Å; V121-L132 HydrophobicContact CB-CB 4.36Å; V121-L132 HydrophobicContact CG1-CB 4.39Å; V121-L132 HydrophobicContact CG1-CD1 4.1Å; V121-L132 WeakPolarHBondContact O-CA 3.27Å; V121-L132 WeakPolarHBondContact O-CB 3.1Å; V121-L132 PolarHBondContact O-N 2.79Å; N123-L132 HydrophobicContact CB-CD1 4.44Å; N123-L132 HydrophobicContact CB-CD2 3.85Å; N123-L132 HydrophobicContact CB-CG 4.17Å; S130-L132 PolarHBondContact O-N 2.9Å |
| 133 | G | 84 | Confident | 79.9 | Confident | 5 Ų | 5 | 56.7 Ų | 56.7 | 5% | 0.052 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -169.5 | 155.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | V121 L131 | V121-G133 PolarHBondContact N-O 2.7Å; V121-G133 PolarHBondContact O-N 3.08Å; L131-G133 WeakPolarHBondContact CD1-O 3.3Å |
| 134 | R | 84.2 | Confident | 78.7 | Confident | 139 Ų | 139 | 63.7 Ų | 63.7 | 53% | 0.525 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 138.9 | 176.3 | 164.5 | 168.7 | -68 | 162 | 0.6 | 109 | V119 D120 L131 | V119-R134 CarbonylContact O-C 3.43Å; V119-R134 WeakPolarHBondContact O-CA 3.45Å; D120-R134 VanDerWaalsContact CG-NE 3.32Å; D120-R134 WeakPolarHBondContact OD1-CB 3.41Å; D120-R134 WeakPolarHBondContact OD1-CD 3.03Å; D120-R134 WeakPolarHBondContact OD1-CG 3.45Å; D120-R134 IonicContact OD1-CZ 2.64Å; D120-R134 IonicContact OD1-NE 3.62Å; D120-R134 PolarHBondContact OD1-NE 2.83Å; D120-R134 IonicContact OD1-NH2 3.59Å; D120-R134 IonicContact OD2-CZ 3.06Å; D120-R134 IonicContact OD2-NE 2.73Å; D120-R134 PolarHBondContact OD2-NE 3.11Å; D120-R134 IonicContact OD2-NH2 3.42Å; D120-R134 PolarHBondContact OD2-NH2 2.84Å; L131-R134 HydrophobicContact CD1-CB 4.29Å; L131-R134 HydrophobicContact CD2-CB 4.39Å |
| 135 | S | 82.6 | Confident | 77.4 | Confident | 10 Ų | 10 | 62.1 Ų | 62.1 | 7% | 0.07 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 161.5 | 172.6 | -139 | 0 | 0 | 0 | 0 | 112.4 | S118 V119 F158 S163 | S118-S135 WeakPolarHBondContact CA-O 3.47Å; V119-S135 PolarHBondContact N-O 2.95Å; V119-S135 PolarHBondContact O-N 3.09Å; S135-F158 WeakPolarHBondContact OG-CD1 3.27Å; S135-S163 PolarHBondContact OG-N 3.49Å |
| 136 | Q | 83.5 | Confident | 76.6 | Confident | 97 Ų | 97 | 63.5 Ų | 63.5 | 45% | 0.453 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 139.4 | -177.4 | -176.5 | 179.8 | -4.9 | 0 | 0 | 109.6 | A116 L117 | A116-Q136 HydrophobicContact CB-CG 3.89Å; L117-Q136 CarbonylContact O-C 3.57Å; L117-Q136 VanDerWaalsContact O-CA 3.28Å; L117-Q136 WeakPolarHBondContact O-CA 3.38Å |
| 137 | I | 82.5 | Confident | 76.1 | Confident | 6 Ų | 6 | 60.6 Ų | 60.6 | 3% | 0.031 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 130.8 | 172.4 | -171.9 | 171.3 | 0 | 0 | 0 | 110.7 | F13 A116 L117 L139 V156 F158 M165 | F13-I137 HydrophobicContact CE1-CG2 3.77Å; F13-I137 HydrophobicContact CE2-CG2 4.2Å; F13-I137 HydrophobicContact CZ-CG2 3.48Å; F13-I137 VanDerWaalsContact CZ-CG2 3.48Å; A116-I137 CarbonylContact C-O 3.57Å; A116-I137 WeakPolarHBondContact CA-O 3.47Å; A116-I137 WeakPolarHBondContact CB-O 3.46Å; L117-I137 HydrophobicContact CB-CG2 4.05Å; L117-I137 PolarHBondContact N-O 2.02Å; L117-I137 PolarHBondContact O-N 3Å; I137-L139 HydrophobicContact CG2-CD2 4.36Å; I137-V156 HydrophobicContact CD1-CB 4.32Å; I137-V156 HydrophobicContact CD1-CG1 3.87Å; I137-V156 HydrophobicContact CD1-CG2 3.43Å; I137-V156 VanDerWaalsContact CD1-CG2 3.43Å; I137-F158 HydrophobicContact CB-CE1 4.19Å; I137-F158 HydrophobicContact CB-CZ 4.15Å; I137-F158 HydrophobicContact CG2-CE1 4.41Å; I137-F158 HydrophobicContact CG2-CZ 3.86Å; I137-M165 HydrophobicContact CD1-CE 4.43Å; I137-M165 HydrophobicContact CD1-CG 4.22Å; I137-M165 HydrophobicContact CD1-SD 4.32Å |
| 138 | S | 85 | Confident | 75.9 | Confident | 45 Ų | 45 | 57.9 Ų | 57.9 | 32% | 0.315 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 137.7 | 169.3 | -69.4 | 0 | 0 | 0 | 0 | 110.7 | D140 W141 | S138-D140 VanDerWaalsContact C-N 3.31Å; S138-W141 VanDerWaalsContact O-CD1 3.22Å; S138-W141 PolarHBondContact O-NE1 2.86Å |
| 139 | L | 82.2 | Confident | 75.5 | Confident | 2 Ų | 2 | 61.2 Ų | 61.2 | 1% | 0.01 | 33% | 0.33 | C | S | . | . | trans | -99.6 | 28.6 | 174.6 | -56.6 | -176.8 | 0 | 0 | 0 | 111.2 | F13 I26 L63 W111 L115 I137 W141 L142 | F13-L139 HydrophobicContact CD1-CD2 4.45Å; F13-L139 HydrophobicContact CE1-CD2 4.46Å; I26-L139 HydrophobicContact CD1-CD1 3.77Å; L63-L139 HydrophobicContact CD1-CD1 3.71Å; W111-L139 HydrophobicContact CH2-CB 4.33Å; L115-L139 HydrophobicContact CB-CB 4.25Å; L115-L139 HydrophobicContact CB-CD1 4.26Å; L115-L139 PolarHBondContact O-N 2.89Å; I137-L139 HydrophobicContact CG2-CD2 4.36Å; L139-W141 VanDerWaalsContact C-N 3.29Å; L139-L142 HydrophobicContact CB-CD1 4.13Å; L139-L142 HydrophobicContact CB-CG 4.04Å; L139-L142 WeakPolarHBondContact O-CB 3.29Å; L139-L142 WeakPolarHBondContact O-CG 3.4Å; L139-L142 PolarHBondContact O-N 3.39Å | ||
| 140 | D | 79 | Confident | 74.7 | Confident | 95 Ų | 95 | 60.1 Ų | 60.1 | 51% | 0.508 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -21.6 | 178.8 | 52.8 | 7.1 | 0 | 0 | 0 | 113.1 | S138 L142 | S138-D140 VanDerWaalsContact C-N 3.31Å; D140-L142 PolarHBondContact O-N 3.05Å |
| 141 | W | 73.4 | Confident | 73.8 | Confident | 48 Ų | 48 | 63.3 Ų | 63.3 | 18% | 0.182 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -6.1 | 171.9 | 62.3 | -84.9 | 0 | 0 | 0 | 113.4 | I15 S138 L139 E143 K154 M169 | I15-W141 HydrophobicContact CD1-CH2 3.75Å; I15-W141 HydrophobicContact CD1-CZ3 3.96Å; S138-W141 VanDerWaalsContact O-CD1 3.22Å; S138-W141 PolarHBondContact O-NE1 2.86Å; L139-W141 VanDerWaalsContact C-N 3.29Å; W141-E143 PolarHBondContact O-N 2.72Å; W141-K154 HydrophobicContact CD2-CD 3.73Å; W141-K154 VanDerWaalsContact CE2-CD 3.41Å; W141-K154 HydrophobicContact CE3-CD 4Å; W141-K154 HydrophobicContact CG-CD 4.48Å; W141-K154 VanDerWaalsContact CG-NZ 3.3Å; W141-K154 HydrophobicContact CH2-CB 3.47Å; W141-K154 VanDerWaalsContact CH2-CB 3.47Å; W141-K154 HydrophobicContact CH2-CD 3.7Å; W141-K154 HydrophobicContact CH2-CG 4.27Å; W141-K154 HydrophobicContact CZ2-CB 3.77Å; W141-K154 HydrophobicContact CZ2-CD 3.39Å; W141-K154 HydrophobicContact CZ2-CG 4.24Å; W141-K154 HydrophobicContact CZ3-CB 4.09Å; W141-K154 HydrophobicContact CZ3-CD 3.99Å; W141-M169 HydrophobicContact CE3-CE 4.04Å; W141-M169 HydrophobicContact CZ3-CE 4.08Å |
| 142 | L | 73 | Confident | 72.9 | Confident | 14 Ų | 14 | 64.6 Ų | 64.6 | 7% | 0.073 | 34% | 0.341 | C | S | . | . | S | Bend | trans | -81.7 | 116.4 | 177.6 | -53.4 | -156.2 | 0 | 0 | 0 | 108.3 | I15 W111 L139 D140 | I15-L142 HydrophobicContact CD1-CB 4.49Å; I15-L142 HydrophobicContact CD1-CD1 3.35Å; I15-L142 HydrophobicContact CD1-CD2 3.1Å; I15-L142 HydrophobicContact CD1-CG 3.76Å; I15-L142 HydrophobicContact CG1-CD1 3.57Å; I15-L142 HydrophobicContact CG1-CD2 4.21Å; I15-L142 HydrophobicContact CG1-CG 4.5Å; W111-L142 HydrophobicContact CH2-CB 3.93Å; W111-L142 HydrophobicContact CH2-CD1 3.52Å; W111-L142 HydrophobicContact CH2-CG 4.02Å; W111-L142 HydrophobicContact CZ2-CB 3.54Å; W111-L142 HydrophobicContact CZ2-CD1 4.07Å; W111-L142 HydrophobicContact CZ2-CG 4.12Å; W111-L142 HydrophobicContact CZ3-CD1 4.21Å; L139-L142 HydrophobicContact CB-CD1 4.13Å; L139-L142 HydrophobicContact CB-CG 4.04Å; L139-L142 WeakPolarHBondContact O-CB 3.29Å; L139-L142 WeakPolarHBondContact O-CG 3.4Å; L139-L142 PolarHBondContact O-N 3.39Å; D140-L142 PolarHBondContact O-N 3.05Å |
| 143 | E | 67 | Low | 72.1 | Confident | 138 Ų | 138 | 65.5 Ų | 65.5 | 65% | 0.645 | 35% | 0.345 | S | S | * | . | P | Polyproline II helix | trans | -60.6 | 147.3 | 174.5 | -72.3 | 164.2 | -166 | 0 | 0 | 110.4 | W141 K152 | W141-E143 PolarHBondContact O-N 2.72Å; E143-K152 IonicContact OE1-NZ 3.12Å; E143-K152 PolarHBondContact OE1-NZ 2.93Å; E143-K152 IonicContact OE2-NZ 3.61Å; E143-K152 PolarHBondContact OE2-NZ 2.74Å |
| 144 | I | 64.9 | Low | 71.6 | Confident | 148 Ų | 148 | 66.7 Ų | 66.7 | 76% | 0.759 | 35% | 0.349 | S | S | * | . | P | Polyproline II helix | trans | -54.4 | 131.5 | 172.9 | -61.3 | 172.5 | 0 | 0 | 0 | 107.9 | G146 | I144-G146 PolarHBondContact O-N 2.85Š|
| 145 | P | 61.7 | Low | 71.1 | Confident | 31 Ų | 31 | 62.3 Ų | 62.3 | 20% | 0.201 | 33% | 0.334 | C | S | . | . | trans | -51.3 | 114.6 | 178.5 | -28 | 34.4 | 0 | 0 | 0 | 111.2 | V24 W111 | V24-P145 HydrophobicContact CG2-CB 4.23Å; V24-P145 HydrophobicContact CG2-CG 3.12Å; W111-P145 HydrophobicContact CB-CG 4.14Å; W111-P145 HydrophobicContact CG-CG 4.04Å | ||
| 146 | G | 59.7 | Low | 70.5 | Confident | 47 Ų | 47 | 61.9 Ų | 61.9 | 49% | 0.485 | 33% | 0.331 | S | S | . | . | trans | -79.2 | -178.8 | 167.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | I144 N148 | I144-G146 PolarHBondContact O-N 2.85Å; G146-N148 PolarHBondContact O-N 3.12Å | ||
| 147 | S | 58.1 | Low | 69.9 | Low | 95 Ų | 95 | 57.7 Ų | 57.7 | 66% | 0.664 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -69.8 | -11.1 | 175.6 | 55.2 | 0 | 0 | 0 | 0 | 114.4 | ||
| 148 | N | 60.9 | Low | 69.2 | Low | 110 Ų | 110 | 57.6 Ų | 57.6 | 59% | 0.588 | 31% | 0.311 | S | S | * | . | S | Bend | trans | -107.7 | 150.6 | -165 | -72.9 | -1.7 | 0 | 0 | 0 | 113 | Y17 G146 T150 | Y17-N148 WeakPolarHBondContact CD2-O 3.14Å; Y17-N148 WeakPolarHBondContact CE2-O 3.46Å; G146-N148 PolarHBondContact O-N 3.12Å; N148-T150 PolarHBondContact O-N 3.27Å |
| 149 | Q | 61.9 | Low | 68.4 | Low | 130 Ų | 130 | 57 Ų | 57 | 61% | 0.607 | 31% | 0.306 | S | S | * | . | trans | -70.6 | 94.4 | 170.3 | -79.1 | -167.3 | -24.1 | 0 | 0 | 115.6 | Y17 I19 | Y17-Q149 HydrophobicContact CE2-CB 3.78Å; Y17-Q149 HydrophobicContact CE2-CG 3.44Å; Y17-Q149 VanDerWaalsContact CE2-CG 3.44Å; Y17-Q149 WeakPolarHBondContact OH-CA 3.18Å; Y17-Q149 WeakPolarHBondContact OH-CB 3.17Å; Y17-Q149 WeakPolarHBondContact OH-CG 2.82Å; I19-Q149 HydrophobicContact CD1-CG 3.81Å; I19-Q149 HydrophobicContact CG1-CG 3.61Å | ||
| 150 | T | 63.4 | Low | 67.3 | Low | 67 Ų | 67 | 58 Ų | 58 | 41% | 0.411 | 31% | 0.31 | S | S | . | . | trans | -119 | 86.1 | 176.4 | 53.6 | 0 | 0 | 0 | 0 | 117.9 | Y17 N148 K152 | Y17-T150 VanDerWaalsContact CD1-C 3.45Å; Y17-T150 WeakPolarHBondContact CD1-O 3.44Å; Y17-T150 WeakPolarHBondContact CD1-OG1 3.45Å; Y17-T150 WeakPolarHBondContact CE1-O 3.4Å; Y17-T150 VanDerWaalsContact CE2-N 3.31Å; Y17-T150 PolarHBondContact OH-N 3.32Å; N148-T150 PolarHBondContact O-N 3.27Å; T150-K152 PolarHBondContact O-N 2.99Å | ||
| 151 | E | 67 | Low | 66.3 | Low | 81 Ų | 81 | 61.6 Ų | 61.6 | 38% | 0.379 | 32% | 0.317 | S | S | . | . | trans | -68.6 | 129.1 | 175.3 | -173.5 | 173.2 | 175.9 | 0 | 0 | 111.4 | I15 W153 | I15-E151 VanDerWaalsContact O-CA 3.3Å; I15-E151 WeakPolarHBondContact O-CA 3.44Å; E151-W153 PolarHBondContact OE1-NE1 3.01Å | ||
| 152 | K | 68.8 | Low | 65.3 | Low | 48 Ų | 48 | 67.3 Ų | 67.3 | 21% | 0.209 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 127.2 | 179.1 | -72.7 | -178.4 | 174.4 | 178.1 | 0 | 109.8 | G14 I15 E143 T150 M169 | G14-K152 CarbonylContact C-O 3.46Å; G14-K152 WeakPolarHBondContact CA-O 3.3Å; I15-K152 PolarHBondContact N-O 3.38Å; E143-K152 IonicContact OE1-NZ 3.12Å; E143-K152 PolarHBondContact OE1-NZ 2.93Å; E143-K152 IonicContact OE2-NZ 3.61Å; E143-K152 PolarHBondContact OE2-NZ 2.74Å; T150-K152 PolarHBondContact O-N 2.99Å; K152-M169 HydrophobicContact CD-CE 4.01Å |
| 153 | W | 71.2 | Confident | 64.4 | Low | 20 Ų | 20 | 68.7 Ų | 68.7 | 8% | 0.076 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 145.7 | 175 | -70.3 | 88.3 | 0 | 0 | 0 | 112.8 | L12 F13 G14 L27 E29 E151 | L12-W153 HydrophobicContact CB-CE3 4.15Å; L12-W153 HydrophobicContact CB-CZ3 4.23Å; F13-W153 CarbonylContact O-C 3.56Å; F13-W153 WeakPolarHBondContact O-CA 3.25Å; F13-W153 VanDerWaalsContact O-CE3 3.31Å; G14-W153 VanDerWaalsContact CA-CZ3 3.48Å; G14-W153 VanDerWaalsContact N-CZ3 3.28Å; L27-W153 HydrophobicContact CB-CH2 4.2Å; L27-W153 HydrophobicContact CD1-CH2 4.48Å; L27-W153 HydrophobicContact CD1-CZ2 4.35Å; E29-W153 HydrophobicContact CB-CH2 3.96Å; E29-W153 HydrophobicContact CB-CZ3 3.62Å; E151-W153 PolarHBondContact OE1-NE1 3.01Å |
| 154 | K | 73.3 | Confident | 63.9 | Low | 30 Ų | 30 | 64.8 Ų | 64.8 | 13% | 0.13 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 120.1 | 176.8 | -167.9 | 174.3 | -158.3 | 169.8 | 0 | 110.6 | F13 W141 V156 M165 | F13-K154 HydrophobicContact CB-CB 4.44Å; F13-K154 WeakPolarHBondContact CB-O 3.41Å; F13-K154 PolarHBondContact N-O 2.84Å; F13-K154 PolarHBondContact O-N 3.15Å; W141-K154 HydrophobicContact CD2-CD 3.73Å; W141-K154 VanDerWaalsContact CE2-CD 3.41Å; W141-K154 HydrophobicContact CE3-CD 4Å; W141-K154 HydrophobicContact CG-CD 4.48Å; W141-K154 VanDerWaalsContact CG-NZ 3.3Å; W141-K154 HydrophobicContact CH2-CB 3.47Å; W141-K154 VanDerWaalsContact CH2-CB 3.47Å; W141-K154 HydrophobicContact CH2-CD 3.7Å; W141-K154 HydrophobicContact CH2-CG 4.27Å; W141-K154 HydrophobicContact CZ2-CB 3.77Å; W141-K154 HydrophobicContact CZ2-CD 3.39Å; W141-K154 HydrophobicContact CZ2-CG 4.24Å; W141-K154 HydrophobicContact CZ3-CB 4.09Å; W141-K154 HydrophobicContact CZ3-CD 3.99Å; K154-V156 HydrophobicContact CG-CG2 4.35Å; K154-M165 HydrophobicContact CD-CE 4.26Å |
| 155 | E | 73.9 | Confident | 63.3 | Low | 47 Ų | 47 | 62.6 Ų | 62.6 | 22% | 0.22 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 134.3 | 172.8 | -165 | -179.7 | 151.4 | 0 | 0 | 109.6 | L12 | L12-E155 HydrophobicContact CD2-CB 3.85Å; L12-E155 HydrophobicContact CD2-CG 3.87Å |
| 156 | V | 70.1 | Confident | 62.8 | Low | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 127.2 | 179.4 | -179.9 | 0 | 0 | 0 | 0 | 108.6 | I11 F13 I137 K154 F158 | I11-V156 PolarHBondContact N-O 2.93Å; I11-V156 PolarHBondContact O-N 2.92Å; I11-V156 VanDerWaalsContact O-O 3.12Å; F13-V156 HydrophobicContact CD2-CB 3.72Å; F13-V156 HydrophobicContact CD2-CG2 3.36Å; F13-V156 HydrophobicContact CE2-CB 3.52Å; F13-V156 HydrophobicContact CE2-CG1 4.05Å; F13-V156 HydrophobicContact CE2-CG2 3.55Å; F13-V156 HydrophobicContact CG-CG2 4.34Å; I137-V156 HydrophobicContact CD1-CB 4.32Å; I137-V156 HydrophobicContact CD1-CG1 3.87Å; I137-V156 HydrophobicContact CD1-CG2 3.43Å; I137-V156 VanDerWaalsContact CD1-CG2 3.43Å; K154-V156 HydrophobicContact CG-CG2 4.35Å; V156-F158 HydrophobicContact CG1-CD1 4.15Å; V156-F158 HydrophobicContact CG1-CD2 4.37Å; V156-F158 HydrophobicContact CG1-CE1 3.81Å; V156-F158 HydrophobicContact CG1-CE2 3.94Å; V156-F158 HydrophobicContact CG1-CZ 3.69Å |
| 157 | T | 70.4 | Confident | 62.1 | Low | 9 Ų | 9 | 72.3 Ų | 72.3 | 6% | 0.055 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 117.1 | 178.1 | -58.7 | 0 | 0 | 0 | 0 | 108.9 | V8 F10 V164 | V8-T157 HydrophobicContact CG1-CG2 3.35Å; F10-T157 HydrophobicContact CD1-CG2 4.37Å; F10-T157 HydrophobicContact CE1-CG2 4.13Å; T157-V164 PolarHBondContact N-O 3.5Å; T157-V164 VanDerWaalsContact N-O 3.08Å; T157-V164 PolarHBondContact O-N 3.21Å |
| 158 | F | 68.7 | Low | 61.4 | Low | 4 Ų | 4 | 72 Ų | 72 | 2% | 0.018 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 127.7 | 175.5 | -66.1 | -62.1 | 0 | 0 | 0 | 110.7 | V8 L9 I11 F13 V119 S135 I137 V156 | V8-F158 WeakPolarHBondContact CA-O 3.35Å; L9-F158 HydrophobicContact CB-CB 4.21Å; L9-F158 HydrophobicContact CD2-CD2 4.3Å; L9-F158 PolarHBondContact N-O 3.18Å; L9-F158 PolarHBondContact O-N 2.97Å; I11-F158 HydrophobicContact CB-CD2 4.33Å; I11-F158 HydrophobicContact CB-CE2 4.06Å; I11-F158 HydrophobicContact CD1-CD2 3.57Å; I11-F158 HydrophobicContact CD1-CE2 3.44Å; I11-F158 VanDerWaalsContact CD1-CE2 3.44Å; I11-F158 HydrophobicContact CG1-CD2 3.83Å; I11-F158 HydrophobicContact CG1-CE2 3.9Å; F13-F158 AromaticContact CE2-CE2 3.9Å; F13-F158 HydrophobicContact CE2-CE2 3.9Å; F13-F158 HydrophobicContact CE2-CZ 4.1Å; F13-F158 AromaticContact CZ-CE2 3.93Å; F13-F158 HydrophobicContact CZ-CE2 3.93Å; F13-F158 AromaticContact CZ-CZ 3.9Å; F13-F158 HydrophobicContact CZ-CZ 3.9Å; V119-F158 HydrophobicContact CG2-CD2 4.34Å; V119-F158 HydrophobicContact CG2-CE2 3.85Å; V119-F158 HydrophobicContact CG2-CZ 4.25Å; S135-F158 WeakPolarHBondContact OG-CD1 3.27Å; I137-F158 HydrophobicContact CB-CE1 4.19Å; I137-F158 HydrophobicContact CB-CZ 4.15Å; I137-F158 HydrophobicContact CG2-CE1 4.41Å; I137-F158 HydrophobicContact CG2-CZ 3.86Å; V156-F158 HydrophobicContact CG1-CD1 4.15Å; V156-F158 HydrophobicContact CG1-CD2 4.37Å; V156-F158 HydrophobicContact CG1-CE1 3.81Å; V156-F158 HydrophobicContact CG1-CE2 3.94Å; V156-F158 HydrophobicContact CG1-CZ 3.69Å |
| 159 | T | 67.7 | Low | 60.5 | Low | 33 Ų | 33 | 71.2 Ų | 71.2 | 20% | 0.202 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 159.7 | 167.9 | 73.8 | 0 | 0 | 0 | 0 | 111.3 | T7 R161 Y162 V164 | T7-T159 WeakPolarHBondContact O-CA 3.47Å; T159-R161 PolarHBondContact O-N 3.32Å; T159-Y162 WeakPolarHBondContact CA-O 3.49Å; T159-Y162 WeakPolarHBondContact CB-O 2.76Å; T159-Y162 PolarHBondContact N-O 2.91Å; T159-Y162 PolarHBondContact O-N 2.66Å; T159-Y162 VanDerWaalsContact O-N 3.17Å; T159-Y162 PolarHBondContact OG1-N 2.98Å; T159-Y162 PolarHBondContact OG1-O 2.99Å; T159-V164 HydrophobicContact CG2-CG2 4.42Å |
| 160 | E | 60.1 | Low | 59.9 | Low | 23 Ų | 23 | 69 Ų | 69 | 11% | 0.107 | 34% | 0.343 | C | S | . | . | S | Bend | trans | -45.8 | -29.9 | -176.9 | -168.7 | -166 | -154.5 | 0 | 0 | 113.8 | F41 | F41-E160 HydrophobicContact CD2-CG 3.72Å; F41-E160 WeakPolarHBondContact CD2-OE1 3.22Å; F41-E160 HydrophobicContact CE2-CG 4.04Å |
| 161 | R | 56.7 | Low | 59 | Low | 171 Ų | 171 | 71.7 Ų | 71.7 | 65% | 0.645 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -119.2 | -17.7 | -178 | -63.4 | -174.1 | -175.4 | -162 | -2.8 | 115.2 | T159 | T159-R161 PolarHBondContact O-N 3.32Š|
| 162 | Y | 53.6 | Low | 58.1 | Low | 168 Ų | 168 | 74.6 Ų | 74.6 | 66% | 0.659 | 36% | 0.363 | S | S | * | . | trans | -150.4 | 140.4 | -171.3 | -56.5 | -75.4 | 0 | 0 | 0 | 111.4 | T159 | T159-Y162 WeakPolarHBondContact CA-O 3.49Å; T159-Y162 WeakPolarHBondContact CB-O 2.76Å; T159-Y162 PolarHBondContact N-O 2.91Å; T159-Y162 PolarHBondContact O-N 2.66Å; T159-Y162 VanDerWaalsContact O-N 3.17Å; T159-Y162 PolarHBondContact OG1-N 2.98Å; T159-Y162 PolarHBondContact OG1-O 2.99Å | ||
| 163 | S | 53.7 | Low | 56.7 | Low | 43 Ų | 43 | 76.8 Ų | 76.8 | 30% | 0.301 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 121.3 | 160.4 | 59.2 | 0 | 0 | 0 | 0 | 108.8 | S135 | S135-S163 PolarHBondContact OG-N 3.49Å |
| 164 | V | 55.5 | Low | 55 | Low | 56 Ų | 56 | 86.8 Ų | 86.8 | 34% | 0.339 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 117.4 | 168.6 | -175.2 | 0 | 0 | 0 | 0 | 107.2 | T157 T159 E166 | T157-V164 PolarHBondContact N-O 3.5Å; T157-V164 VanDerWaalsContact N-O 3.08Å; T157-V164 PolarHBondContact O-N 3.21Å; T159-V164 HydrophobicContact CG2-CG2 4.42Å; V164-E166 HydrophobicContact CG1-CG 3.87Å; V164-E166 PolarHBondContact O-N 3.26Å |
| 165 | M | 52.9 | Low | 54.1 | Low | 102 Ų | 102 | 89.6 Ų | 89.6 | 50% | 0.502 | 46% | 0.46 | S | S | . | . | trans | -85.1 | 91.9 | 172.5 | -63 | 165.4 | 69.5 | 0 | 0 | 107.2 | I137 K154 | I137-M165 HydrophobicContact CD1-CE 4.43Å; I137-M165 HydrophobicContact CD1-CG 4.22Å; I137-M165 HydrophobicContact CD1-SD 4.32Å; K154-M165 HydrophobicContact CD-CE 4.26Å | ||
| 166 | E | 50.7 | Low | 53 | Low | 125 Ų | 125 | 91.8 Ų | 91.8 | 58% | 0.584 | 47% | 0.473 | S | S | * | . | trans | -102.1 | 127 | 172.6 | -95.8 | 171.6 | 172.4 | 0 | 0 | 108.5 | V164 | V164-E166 HydrophobicContact CG1-CG 3.87Å; V164-E166 PolarHBondContact O-N 3.26Å | ||
| 167 | K | 45.9 | Very low | 52.1 | Low | 157 Ų | 157 | 96.9 Ų | 96.9 | 68% | 0.683 | 50% | 0.499 | S | S | * | . | S | Bend | trans | 89.7 | 130.9 | 171.6 | -133.7 | 168.7 | -178.5 | -177.2 | 0 | 117 | ||
| 168 | A | 42.1 | Very low | 51 | Low | 87 Ų | 87 | 102.1 Ų | 102.1 | 72% | 0.719 | 53% | 0.525 | S | S | * | . | trans | -70.3 | 156.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | V170 | A168-V170 PolarHBondContact O-N 2.88Š| ||
| 169 | M | 42.9 | Very low | 49.9 | Very low | 94 Ų | 94 | 108.3 Ų | 108.3 | 46% | 0.463 | 56% | 0.557 | S | S | . | * | trans | -38.5 | 119.5 | 176.4 | -68.9 | 168.1 | 142.1 | 0 | 0 | 111.8 | W141 K152 | W141-M169 HydrophobicContact CE3-CE 4.04Å; W141-M169 HydrophobicContact CZ3-CE 4.08Å; K152-M169 HydrophobicContact CD-CE 4.01Å | ||
| 170 | V | 48.6 | Very low | 48.7 | Very low | 84 Ų | 84 | 113.3 Ų | 113.3 | 51% | 0.509 | 58% | 0.581 | S | S | . | * | B | Isolated β-bridge | trans | -94.2 | 106.9 | 164.5 | -179.3 | 0 | 0 | 0 | 0 | 105.7 | A168 R172 | A168-V170 PolarHBondContact O-N 2.88Å; V170-R172 VanDerWaalsContact C-N 3.3Å; V170-R172 HydrophobicContact CG1-CG 4.43Å; V170-R172 PolarHBondContact O-N 3.15Å |
| 171 | D | 45.3 | Very low | 47.9 | Very low | 123 Ų | 123 | 119.7 Ų | 119.7 | 66% | 0.658 | 62% | 0.615 | S | S | * | * | trans | -66.2 | 97.3 | 162.4 | -70.2 | -23.4 | 0 | 0 | 0 | 106.4 | A173 | D171-A173 VanDerWaalsContact C-N 3.31Å; D171-A173 PolarHBondContact O-N 2.72Å | ||
| 172 | R | 48.5 | Very low | 47.3 | Very low | 143 Ų | 143 | 115.8 Ų | 115.8 | 54% | 0.54 | 61% | 0.612 | S | S | . | * | trans | -68.2 | 98.8 | 163.2 | -82.1 | -172.2 | -177.9 | 167.6 | 3.6 | 105.9 | E29 V170 | E29-R172 IonicContact OE2-NH1 3.49Å; V170-R172 VanDerWaalsContact C-N 3.3Å; V170-R172 HydrophobicContact CG1-CG 4.43Å; V170-R172 PolarHBondContact O-N 3.15Å | ||
| 173 | A | 38.7 | Very low | 46.7 | Very low | 94 Ų | 94 | 111.4 Ų | 111.4 | 78% | 0.777 | 61% | 0.608 | S | S | * | * | trans | -65.8 | 130.1 | 165.3 | 0 | 0 | 0 | 0 | 0 | 108.2 | D171 | D171-A173 VanDerWaalsContact C-N 3.31Å; D171-A173 PolarHBondContact O-N 2.72Å | ||
| 174 | N | 36 | Very low | 46.1 | Very low | 229 Ų | 229 | 117.6 Ų | 117.6 | 100% | 1.225 | 64% | 0.636 | S | S | * | * | trans | -24.9 | 0 | 175.7 | -66.6 | -29.6 | 0 | 0 | 0 | 116 |
Retrieved 174 of 174 residues in 45.5 ms
(Link to these results)