| 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 | 38.5 | Very low | 43.4 | Very low | 215 Ų | 215 | 153.5 Ų | 153.5 | 100% | 1.059 | 77% | 0.769 | S | S | * | * | 0 | 126.3 | 0 | -78.1 | 76.5 | 166.6 | 0 | 0 | 109.3 | Y3 | M1-Y3 PolarHBondContact O-N 3Š| |||
| 2 | N | 36.4 | Very low | 43.9 | Very low | 169 Ų | 169 | 160.8 Ų | 160.8 | 90% | 0.904 | 78% | 0.781 | S | S | * | * | trans | -76.5 | 108.4 | 175.4 | -78 | -56.9 | 0 | 0 | 0 | 109.3 | K4 | N2-K4 PolarHBondContact O-N 3.26Š| ||
| 3 | Y | 40.3 | Very low | 44.4 | Very low | 221 Ų | 221 | 154.1 Ų | 154.1 | 87% | 0.867 | 76% | 0.755 | S | S | * | * | trans | -70.1 | 99.7 | 166 | -66.2 | -85.6 | 0 | 0 | 0 | 107.7 | M1 R5 | M1-Y3 PolarHBondContact O-N 3Å; Y3-R5 PolarHBondContact O-N 3.25Å | ||
| 4 | K | 41.2 | Very low | 44.9 | Very low | 199 Ų | 199 | 154.1 Ų | 154.1 | 87% | 0.865 | 77% | 0.768 | S | S | * | * | trans | -67.2 | 103.6 | 174 | -146.1 | 176.1 | -174.5 | -175.1 | 0 | 106.4 | N2 V6 | N2-K4 PolarHBondContact O-N 3.26Å; K4-V6 PolarHBondContact O-N 3.41Å | ||
| 5 | R | 47.2 | Very low | 45.4 | Very low | 235 Ų | 235 | 153.3 Ų | 153.3 | 89% | 0.887 | 77% | 0.768 | S | S | * | * | trans | -44.1 | 111.9 | 174.1 | -164.7 | -177.6 | -134.4 | 161 | 2.4 | 108.1 | Y3 S7 | Y3-R5 PolarHBondContact O-N 3.25Å; R5-S7 PolarHBondContact O-N 3.34Å | ||
| 6 | V | 48.4 | Very low | 46 | Very low | 107 Ų | 107 | 148.1 Ų | 148.1 | 65% | 0.648 | 77% | 0.765 | S | S | * | * | trans | -62.4 | 113.6 | 179.2 | -176.6 | 0 | 0 | 0 | 0 | 106.6 | K4 N8 | K4-V6 PolarHBondContact O-N 3.41Å; V6-N8 PolarHBondContact O-N 3.24Å | ||
| 7 | S | 42.2 | Very low | 46.7 | Very low | 88 Ų | 88 | 143.9 Ų | 143.9 | 62% | 0.615 | 75% | 0.751 | S | S | * | * | trans | -60.8 | 108.6 | 176.8 | -44.5 | 0 | 0 | 0 | 0 | 108.1 | R5 T9 | R5-S7 PolarHBondContact O-N 3.34Å; S7-T9 PolarHBondContact O-N 3.02Å | ||
| 8 | N | 43 | Very low | 47.5 | Very low | 158 Ų | 158 | 141.7 Ų | 141.7 | 85% | 0.845 | 75% | 0.747 | S | S | * | * | trans | -67.9 | 81.4 | 153.8 | -74.3 | -58.8 | 0 | 0 | 0 | 106 | V6 P10 | V6-N8 PolarHBondContact O-N 3.24Å; N8-P10 WeakPolarHBondContact O-CD 3.42Å | ||
| 9 | T | 46.7 | Very low | 48.7 | Very low | 112 Ų | 112 | 138.2 Ų | 138.2 | 69% | 0.687 | 73% | 0.727 | S | S | * | * | trans | -70.3 | 112.7 | 171.5 | 20.5 | 0 | 0 | 0 | 0 | 107.5 | S7 L11 | S7-T9 PolarHBondContact O-N 3.02Å; T9-L11 PolarHBondContact O-N 3.46Å | ||
| 10 | P | 46.4 | Very low | 50.1 | Low | 91 Ų | 91 | 136.1 Ų | 136.1 | 59% | 0.591 | 71% | 0.714 | S | S | * | * | trans | -65.7 | 122.2 | 173.8 | -11.1 | 28 | 0 | 0 | 0 | 107.1 | N8 R12 | N8-P10 WeakPolarHBondContact O-CD 3.42Å; P10-R12 PolarHBondContact O-N 3.06Å; P10-R12 VanDerWaalsContact O-N 3.09Å | ||
| 11 | L | 46.9 | Very low | 51.5 | Low | 93 Ų | 93 | 132.8 Ų | 132.8 | 49% | 0.487 | 69% | 0.694 | S | S | . | * | trans | -64.3 | 112.5 | 169.8 | -73 | 175 | 0 | 0 | 0 | 107.1 | T9 T13 E64 | T9-L11 PolarHBondContact O-N 3.46Å; L11-T13 PolarHBondContact O-N 2.95Å; L11-E64 HydrophobicContact CD1-CG 4.31Å | ||
| 12 | R | 50.1 | Low | 53.6 | Low | 242 Ų | 242 | 122.8 Ų | 122.8 | 91% | 0.913 | 65% | 0.646 | S | S | * | * | trans | -77.1 | 110.7 | 173.7 | -67.8 | -161.1 | 170.1 | -165.8 | -3.4 | 108.2 | P10 | P10-R12 PolarHBondContact O-N 3.06Å; P10-R12 VanDerWaalsContact O-N 3.09Å | ||
| 13 | T | 49.3 | Very low | 55.9 | Low | 73 Ų | 73 | 115.4 Ų | 115.4 | 45% | 0.448 | 61% | 0.608 | S | S | . | * | trans | -74 | 155.1 | 164.4 | 45.9 | 0 | 0 | 0 | 0 | 109.8 | L11 D15 G16 | L11-T13 PolarHBondContact O-N 2.95Å; T13-D15 PolarHBondContact O-N 3.07Å; T13-G16 PolarHBondContact O-N 3.3Å | ||
| 14 | V | 52.2 | Low | 58 | Low | 155 Ų | 155 | 107.3 Ų | 107.3 | 94% | 0.939 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.5 | -7.8 | -174.2 | 70.3 | 0 | 0 | 0 | 0 | 114.3 | ||
| 15 | D | 52.6 | Low | 60.2 | Low | 142 Ų | 142 | 103.5 Ų | 103.5 | 76% | 0.759 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.5 | 18.4 | -177 | -138.6 | -109.2 | 0 | 0 | 0 | 114.3 | T13 S17 | T13-D15 PolarHBondContact O-N 3.07Å; D15-S17 VanDerWaalsContact C-N 3.3Å; D15-S17 PolarHBondContact O-N 3.42Å |
| 16 | G | 55 | Low | 62.1 | Low | 70 Ų | 70 | 92.5 Ų | 92.5 | 72% | 0.722 | 52% | 0.519 | S | S | * | . | trans | 73.4 | -0.8 | 157.8 | 0 | 0 | 0 | 0 | 0 | 118.6 | T13 | T13-G16 PolarHBondContact O-N 3.3Š| ||
| 17 | S | 58 | Low | 64.2 | Low | 76 Ų | 76 | 88.6 Ų | 88.6 | 53% | 0.531 | 50% | 0.495 | S | S | . | . | trans | -91 | 121.7 | 171.5 | -63.7 | 0 | 0 | 0 | 0 | 111.2 | D15 M19 | D15-S17 VanDerWaalsContact C-N 3.3Å; D15-S17 PolarHBondContact O-N 3.42Å; S17-M19 PolarHBondContact O-N 3.3Å | ||
| 18 | P | 60.4 | Low | 66.5 | Low | 105 Ų | 105 | 86.8 Ų | 86.8 | 68% | 0.682 | 48% | 0.477 | S | S | * | . | trans | -74.1 | 94 | 178.8 | 30 | -32.8 | 0 | 0 | 0 | 110.4 | ||||
| 19 | M | 71.1 | Confident | 68.8 | Low | 75 Ų | 75 | 81.2 Ų | 81.2 | 37% | 0.369 | 45% | 0.447 | S | S | . | . | trans | -74.2 | 135.2 | 168.5 | -69 | 175.8 | 170.8 | 0 | 0 | 109.9 | S17 N162 V163 E164 | S17-M19 PolarHBondContact O-N 3.3Å; M19-N162 HydrophobicContact CB-CB 4.32Å; M19-N162 HydrophobicContact SD-CB 4.12Å; M19-V163 CarbonylContact C-O 3.45Å; M19-V163 VanDerWaalsContact CA-O 3.29Å; M19-V163 WeakPolarHBondContact CA-O 3.41Å; M19-E164 HydrophobicContact CE-CG 4.47Å | ||
| 20 | M | 76.4 | Confident | 71 | Confident | 95 Ų | 95 | 76.9 Ų | 76.9 | 47% | 0.468 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 154.6 | 171.8 | -63.6 | -166.4 | -174.7 | 0 | 0 | 110.4 | N162 V163 E166 | M20-N162 WeakPolarHBondContact O-CA 3.33Å; M20-V163 HydrophobicContact CB-CG2 4.04Å; M20-V163 PolarHBondContact N-O 3.49Å; M20-V163 WeakPolarHBondContact O-CG2 3.36Å; M20-V163 PolarHBondContact O-N 3.21Å; M20-E166 HydrophobicContact CE-CG 4.24Å; M20-E166 HydrophobicContact SD-CG 3.69Å |
| 21 | K | 78.3 | Confident | 73.2 | Confident | 67 Ų | 67 | 73.8 Ų | 73.8 | 29% | 0.291 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 111.1 | 170.6 | -74.2 | -167.6 | -179.4 | -172.3 | 0 | 109 | D63 E64 Y160 | K21-D63 PolarHBondContact NZ-O 3.26Å; K21-E64 VanDerWaalsContact CE-O 3.27Å; K21-E64 WeakPolarHBondContact CE-O 3.47Å; K21-E64 PolarHBondContact NZ-O 3.46Å; K21-Y160 HydrophobicContact CB-CD1 3.73Å; K21-Y160 HydrophobicContact CB-CE1 4.47Å; K21-Y160 HydrophobicContact CB-CG 4.28Å; K21-Y160 HydrophobicContact CD-CG 4.48Å |
| 22 | A | 83.4 | Confident | 75.2 | Confident | 6 Ų | 6 | 70.8 Ų | 70.8 | 5% | 0.05 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 126.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | Y160 Q161 V163 T169 | A22-Y160 CarbonylContact O-C 3.6Å; A22-Y160 VanDerWaalsContact O-CA 3.24Å; A22-Y160 WeakPolarHBondContact O-CA 3.35Å; A22-Q161 PolarHBondContact N-O 2.77Å; A22-Q161 PolarHBondContact O-N 2.84Å; A22-V163 HydrophobicContact CB-CG1 4.1Å; A22-V163 HydrophobicContact CB-CG2 3.86Å; A22-T169 HydrophobicContact CB-CG2 3.37Å |
| 23 | A | 84.7 | Confident | 77.1 | Confident | 13 Ų | 13 | 64.4 Ų | 64.4 | 11% | 0.107 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 131.2 | 169.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | P50 M158 G159 Y160 L173 | A23-P50 HydrophobicContact CB-CB 3.73Å; A23-P50 HydrophobicContact CB-CG 4.21Å; A23-P50 WeakPolarHBondContact O-CG 3.19Å; A23-M158 HydrophobicContact CB-CE 3.54Å; A23-G159 CarbonylContact C-O 3.53Å; A23-G159 VanDerWaalsContact CA-O 3.29Å; A23-G159 WeakPolarHBondContact CA-O 3.46Å; A23-Y160 HydrophobicContact CB-CD1 4.17Å; A23-Y160 HydrophobicContact CB-CE1 3.98Å; A23-L173 WeakPolarHBondContact O-CD2 3.11Å |
| 24 | M | 85.4 | Confident | 78.9 | Confident | 52 Ų | 52 | 63 Ų | 63 | 26% | 0.256 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | -34.9 | -178.9 | -70.4 | -56.6 | -62.4 | 0 | 0 | 112.8 | P50 G159 Q161 V172 L173 | M24-P50 WeakPolarHBondContact O-CD 3.26Å; M24-G159 PolarHBondContact N-O 2.78Å; M24-Q161 HydrophobicContact CG-CB 3.79Å; M24-Q161 HydrophobicContact SD-CB 4.31Å; M24-V172 HydrophobicContact CE-CG1 3.31Å; M24-V172 HydrophobicContact SD-CG1 3.35Å; M24-V172 WeakPolarHBondContact SD-CG1 3.38Å; M24-L173 HydrophobicContact CE-CD2 4.13Å; M24-L173 HydrophobicContact SD-CD2 3.71Å |
| 25 | Y | 85.9 | Confident | 80.4 | Confident | 119 Ų | 119 | 61.2 Ų | 61.2 | 47% | 0.467 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.2 | 158.9 | 178.4 | 62.1 | -88.6 | 0 | 0 | 0 | 109.1 | V27 G159 | Y25-V27 HydrophobicContact CD2-CG2 3.93Å; Y25-V27 HydrophobicContact CE2-CG2 4.11Å; Y25-G159 PolarHBondContact O-N 3Å; Y25-G159 VanDerWaalsContact O-N 3.08Å |
| 26 | S | 88 | Confident | 82 | Confident | 3 Ų | 3 | 60.5 Ų | 60.5 | 2% | 0.021 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 141.3 | 167.7 | 45.9 | 0 | 0 | 0 | 0 | 109.8 | T47 L48 F157 | S26-T47 CarbonylContact O-C 3.55Å; S26-T47 WeakPolarHBondContact O-CA 3.3Å; S26-L48 PolarHBondContact N-O 3.5Å; S26-L48 PolarHBondContact O-N 2.86Å; S26-L48 PolarHBondContact OG-O 2.75Å; S26-F157 CarbonylContact C-O 3.59Å; S26-F157 WeakPolarHBondContact CA-O 3.46Å |
| 27 | V | 91.4 | Very high | 83.6 | Confident | 25 Ų | 25 | 61.4 Ų | 61.4 | 15% | 0.152 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 119.2 | 172.4 | -171.5 | 0 | 0 | 0 | 0 | 108.1 | Y25 I29 T46 T47 I156 F157 | Y25-V27 HydrophobicContact CD2-CG2 3.93Å; Y25-V27 HydrophobicContact CE2-CG2 4.11Å; V27-I29 HydrophobicContact CG1-CD1 4.22Å; V27-I29 HydrophobicContact CG1-CG1 3.85Å; V27-T46 CarbonylContact C-O 3.56Å; V27-T46 WeakPolarHBondContact CA-O 3.24Å; V27-T47 HydrophobicContact CG2-CG2 4.47Å; V27-I156 CarbonylContact O-C 3.5Å; V27-I156 WeakPolarHBondContact O-CA 3.36Å; V27-F157 HydrophobicContact CB-CB 4.27Å; V27-F157 PolarHBondContact N-O 3.01Å; V27-F157 PolarHBondContact O-N 2.88Å |
| 28 | E | 91.3 | Very high | 85 | Confident | 51 Ų | 51 | 60 Ų | 60 | 24% | 0.238 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 118.4 | 175.1 | -61.3 | -176.9 | 168.8 | 0 | 0 | 108.5 | S45 T46 L48 T154 I156 | E28-S45 CarbonylContact O-C 3.56Å; E28-S45 VanDerWaalsContact O-CA 3.3Å; E28-S45 WeakPolarHBondContact O-CA 3.37Å; E28-T46 PolarHBondContact N-O 3.02Å; E28-T46 PolarHBondContact O-N 3.1Å; E28-L48 HydrophobicContact CG-CD1 4.29Å; E28-T154 HydrophobicContact CB-CG2 4.46Å; E28-I156 HydrophobicContact CG-CG1 4.18Å; E28-I156 HydrophobicContact CG-CG2 4.28Å |
| 29 | I | 92.3 | Very high | 86.4 | Confident | 40 Ų | 40 | 60.4 Ų | 60.4 | 21% | 0.205 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 113.9 | 180 | -52.5 | -175.5 | 0 | 0 | 0 | 108.1 | V27 V31 V42 S44 T154 M155 F157 | V27-I29 HydrophobicContact CG1-CD1 4.22Å; V27-I29 HydrophobicContact CG1-CG1 3.85Å; I29-V31 HydrophobicContact CG2-CG1 3.98Å; I29-V42 HydrophobicContact CG2-CG1 3.9Å; I29-S44 CarbonylContact C-O 3.58Å; I29-S44 WeakPolarHBondContact CA-O 3.18Å; I29-T154 CarbonylContact O-C 3.43Å; I29-T154 WeakPolarHBondContact O-CA 3.26Å; I29-M155 PolarHBondContact N-O 2.78Å; I29-M155 PolarHBondContact O-N 2.77Å; I29-F157 HydrophobicContact CB-CE2 4.42Å; I29-F157 HydrophobicContact CD1-CD2 3.96Å; I29-F157 HydrophobicContact CD1-CE2 3.64Å; I29-F157 HydrophobicContact CD1-CZ 4.49Å; I29-F157 HydrophobicContact CG1-CD2 4.19Å; I29-F157 HydrophobicContact CG1-CE2 4.09Å |
| 30 | T | 90.9 | Very high | 87.4 | Confident | 21 Ų | 21 | 60.9 Ų | 60.9 | 13% | 0.129 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 125.2 | 174.3 | -58.5 | 0 | 0 | 0 | 0 | 109.1 | L43 S44 P152 V153 T154 | T30-L43 HydrophobicContact CG2-CB 4.35Å; T30-L43 HydrophobicContact CG2-CD1 4.21Å; T30-L43 WeakPolarHBondContact O-CB 3.33Å; T30-L43 PolarHBondContact O-N 3.04Å; T30-S44 WeakPolarHBondContact CB-OG 3.44Å; T30-S44 PolarHBondContact N-O 3.34Å; T30-S44 PolarHBondContact O-N 3.02Å; T30-S44 PolarHBondContact OG1-OG 3.26Å; T30-P152 HydrophobicContact CG2-CB 3.71Å; T30-P152 HydrophobicContact CG2-CG 4.29Å; T30-V153 WeakPolarHBondContact CA-O 3.29Å; T30-T154 PolarHBondContact OG1-OG1 3.08Å |
| 31 | V | 92.6 | Very high | 88.1 | Confident | 26 Ų | 26 | 63.4 Ų | 63.4 | 16% | 0.158 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 142.7 | 179.7 | -58.8 | 0 | 0 | 0 | 0 | 110.8 | I29 T40 R41 V42 P152 V153 | I29-V31 HydrophobicContact CG2-CG1 3.98Å; V31-T40 HydrophobicContact CB-CG2 3.79Å; V31-T40 HydrophobicContact CG1-CG2 4.29Å; V31-T40 HydrophobicContact CG2-CG2 4.09Å; V31-R41 CarbonylContact C-O 3.59Å; V31-R41 VanDerWaalsContact CA-O 3.26Å; V31-R41 WeakPolarHBondContact CA-O 3.34Å; V31-V42 HydrophobicContact CG1-CG2 4.16Å; V31-P152 CarbonylContact O-C 3.56Å; V31-P152 WeakPolarHBondContact O-CA 3.41Å; V31-P152 VanDerWaalsContact O-CB 3.3Å; V31-P152 WeakPolarHBondContact O-CB 3.34Å; V31-V153 HydrophobicContact CG2-CB 4.31Å; V31-V153 PolarHBondContact N-O 2.86Å; V31-V153 PolarHBondContact O-N 2.77Å |
| 32 | E | 89.9 | Confident | 88.8 | Confident | 30 Ų | 30 | 64.9 Ų | 64.9 | 14% | 0.14 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 139.1 | 169.6 | -173.8 | -179.2 | -112.9 | 0 | 0 | 109 | T40 R41 L43 Q149 | E32-T40 CarbonylContact O-C 3.55Å; E32-T40 WeakPolarHBondContact O-CA 3.49Å; E32-R41 PolarHBondContact N-O 2.7Å; E32-R41 PolarHBondContact O-N 3.38Å; E32-L43 HydrophobicContact CB-CD1 3.96Å; E32-L43 HydrophobicContact CB-CD2 3.91Å; E32-L43 HydrophobicContact CB-CG 3.89Å; E32-Q149 PolarHBondContact OE1-NE2 2.65Å; E32-Q149 PolarHBondContact OE2-NE2 3.48Å |
| 33 | K | 89.2 | Confident | 89.2 | Confident | 108 Ų | 108 | 69 Ų | 69 | 47% | 0.47 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 119.8 | 174.4 | -172.7 | 179.3 | 177.8 | -176.6 | 0 | 110 | K35 | K33-K35 PolarHBondContact O-N 3.13Å |
| 34 | D | 87.1 | Confident | 89.4 | Confident | 43 Ų | 43 | 70.7 Ų | 70.7 | 23% | 0.23 | 37% | 0.372 | C | S | . | . | B | Isolated β-bridge | trans | -74.4 | 119.4 | 170.7 | -178.8 | -23.8 | 0 | 0 | 0 | 109 | V36 T37 G38 E39 | D34-V36 WeakPolarHBondContact OD1-CA 2.96Å; D34-V36 WeakPolarHBondContact OD1-CB 3.38Å; D34-V36 PolarHBondContact OD1-N 3.05Å; D34-T37 VanDerWaalsContact CB-OG1 3.26Å; D34-T37 WeakPolarHBondContact CB-OG1 3.17Å; D34-T37 PolarHBondContact OD1-N 3.47Å; D34-T37 PolarHBondContact OD1-OG1 3.03Å; D34-T37 WeakPolarHBondContact OD2-CG2 3.49Å; D34-T37 PolarHBondContact OD2-OG1 3.44Å; D34-G38 CarbonylContact O-C 3.59Å; D34-G38 WeakPolarHBondContact O-CA 3.41Å; D34-G38 PolarHBondContact O-N 3.02Å; D34-E39 PolarHBondContact N-O 2.99Å |
| 35 | K | 84.9 | Confident | 89.8 | Confident | 118 Ų | 118 | 71.9 Ų | 71.9 | 51% | 0.513 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -22.4 | -179.7 | -62.2 | -173.5 | -180 | -156.6 | 0 | 113.6 | K33 G148 E150 | K33-K35 PolarHBondContact O-N 3.13Å; K35-G148 VanDerWaalsContact CB-O 3.24Å; K35-G148 WeakPolarHBondContact CB-O 3.48Å; K35-G148 WeakPolarHBondContact CD-O 3.31Å; K35-G148 WeakPolarHBondContact CG-O 3.34Å; K35-G148 PolarHBondContact N-O 3.41Å; K35-E150 VanDerWaalsContact CE-CB 3.4Å; K35-E150 WeakPolarHBondContact CE-OE2 3.37Å; K35-E150 IonicContact NZ-OE2 3.43Å; K35-E150 PolarHBondContact NZ-OE2 3.35Å |
| 36 | V | 85.4 | Confident | 90 | Very high | 127 Ų | 127 | 69.3 Ų | 69.3 | 77% | 0.77 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | -46.8 | -178.8 | -176.7 | 0 | 0 | 0 | 0 | 109.8 | D34 | D34-V36 WeakPolarHBondContact OD1-CA 2.96Å; D34-V36 WeakPolarHBondContact OD1-CB 3.38Å; D34-V36 PolarHBondContact OD1-N 3.05Å |
| 37 | T | 88.3 | Confident | 90.1 | Very high | 90 Ų | 90 | 73.9 Ų | 73.9 | 55% | 0.552 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.7 | -21.8 | -178.1 | 63.6 | 0 | 0 | 0 | 0 | 113.2 | D34 E39 | D34-T37 VanDerWaalsContact CB-OG1 3.26Å; D34-T37 WeakPolarHBondContact CB-OG1 3.17Å; D34-T37 PolarHBondContact OD1-N 3.47Å; D34-T37 PolarHBondContact OD1-OG1 3.03Å; D34-T37 WeakPolarHBondContact OD2-CG2 3.49Å; D34-T37 PolarHBondContact OD2-OG1 3.44Å; T37-E39 PolarHBondContact O-N 3.07Å; T37-E39 WeakPolarHBondContact OG1-CB 3.45Å; T37-E39 PolarHBondContact OG1-N 3.25Å |
| 38 | G | 88.3 | Confident | 89.7 | Confident | 46 Ų | 46 | 75.8 Ų | 75.8 | 47% | 0.474 | 42% | 0.419 | S | S | . | . | trans | 76 | 4.4 | -171.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | D34 | D34-G38 CarbonylContact O-C 3.59Å; D34-G38 WeakPolarHBondContact O-CA 3.41Å; D34-G38 PolarHBondContact O-N 3.02Å | ||
| 39 | E | 90.1 | Very high | 89.2 | Confident | 114 Ų | 114 | 79 Ų | 79 | 53% | 0.533 | 44% | 0.437 | S | S | . | . | trans | -73.8 | 134.4 | -179.7 | -169.6 | -176.9 | 159.9 | 0 | 0 | 111 | D34 T37 R41 | D34-E39 PolarHBondContact N-O 2.99Å; T37-E39 PolarHBondContact O-N 3.07Å; T37-E39 WeakPolarHBondContact OG1-CB 3.45Å; T37-E39 PolarHBondContact OG1-N 3.25Å; E39-R41 HydrophobicContact CG-CG 4.26Å | ||
| 40 | T | 90.4 | Very high | 88.2 | Confident | 85 Ų | 85 | 78.3 Ų | 78.3 | 52% | 0.521 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 123.1 | 170.5 | -59.3 | 0 | 0 | 0 | 0 | 109.2 | V31 E32 | V31-T40 HydrophobicContact CB-CG2 3.79Å; V31-T40 HydrophobicContact CG1-CG2 4.29Å; V31-T40 HydrophobicContact CG2-CG2 4.09Å; E32-T40 CarbonylContact O-C 3.55Å; E32-T40 WeakPolarHBondContact O-CA 3.49Å |
| 41 | R | 91.5 | Very high | 86.7 | Confident | 147 Ų | 147 | 87.1 Ų | 87.1 | 56% | 0.555 | 47% | 0.466 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 136.4 | 178.7 | -62.1 | 179.6 | 68.3 | -172 | 0.4 | 110 | V31 E32 E39 | V31-R41 CarbonylContact C-O 3.59Å; V31-R41 VanDerWaalsContact CA-O 3.26Å; V31-R41 WeakPolarHBondContact CA-O 3.34Å; E32-R41 PolarHBondContact N-O 2.7Å; E32-R41 PolarHBondContact O-N 3.38Å; E39-R41 HydrophobicContact CG-CG 4.26Å |
| 42 | V | 94 | Very high | 84.9 | Confident | 98 Ų | 98 | 94.9 Ų | 94.9 | 59% | 0.594 | 50% | 0.5 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 120.5 | 173.5 | -177.8 | 0 | 0 | 0 | 0 | 108.5 | I29 V31 | I29-V42 HydrophobicContact CG2-CG1 3.9Å; V31-V42 HydrophobicContact CG1-CG2 4.16Å |
| 43 | L | 91.3 | Very high | 83.3 | Confident | 92 Ų | 92 | 99.1 Ų | 99.1 | 48% | 0.482 | 53% | 0.531 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | -42.5 | 176.1 | -61.7 | -171.9 | 0 | 0 | 0 | 111.5 | T30 E32 P152 | T30-L43 HydrophobicContact CG2-CB 4.35Å; T30-L43 HydrophobicContact CG2-CD1 4.21Å; T30-L43 WeakPolarHBondContact O-CB 3.33Å; T30-L43 PolarHBondContact O-N 3.04Å; E32-L43 HydrophobicContact CB-CD1 3.96Å; E32-L43 HydrophobicContact CB-CD2 3.91Å; E32-L43 HydrophobicContact CB-CG 3.89Å; L43-P152 HydrophobicContact CD1-CB 3.75Å; L43-P152 HydrophobicContact CD1-CG 4.17Å |
| 44 | S | 90.1 | Very high | 81.8 | Confident | 50 Ų | 50 | 96.6 Ų | 96.6 | 35% | 0.35 | 52% | 0.522 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 153.9 | 179.9 | 64.9 | 0 | 0 | 0 | 0 | 111.8 | I29 T30 | I29-S44 CarbonylContact C-O 3.58Å; I29-S44 WeakPolarHBondContact CA-O 3.18Å; T30-S44 WeakPolarHBondContact CB-OG 3.44Å; T30-S44 PolarHBondContact N-O 3.34Å; T30-S44 PolarHBondContact O-N 3.02Å; T30-S44 PolarHBondContact OG1-OG 3.26Å |
| 45 | S | 93.4 | Very high | 80.6 | Confident | 76 Ų | 76 | 97.9 Ų | 97.9 | 53% | 0.531 | 53% | 0.533 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 108.7 | 173.7 | 172.2 | 0 | 0 | 0 | 0 | 108.4 | E28 | E28-S45 CarbonylContact O-C 3.56Å; E28-S45 VanDerWaalsContact O-CA 3.3Å; E28-S45 WeakPolarHBondContact O-CA 3.37Å |
| 46 | T | 89.1 | Confident | 79.6 | Confident | 66 Ų | 66 | 100.7 Ų | 100.7 | 41% | 0.405 | 55% | 0.552 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -121.6 | 128.1 | -176.3 | -56.1 | 0 | 0 | 0 | 0 | 110 | V27 E28 L48 | V27-T46 CarbonylContact C-O 3.56Å; V27-T46 WeakPolarHBondContact CA-O 3.24Å; E28-T46 PolarHBondContact N-O 3.02Å; E28-T46 PolarHBondContact O-N 3.1Å; T46-L48 HydrophobicContact CG2-CD2 3.68Å; T46-L48 HydrophobicContact CG2-CG 3.97Å |
| 47 | T | 89.7 | Confident | 79.2 | Confident | 99 Ų | 99 | 95.9 Ų | 95.9 | 61% | 0.607 | 53% | 0.529 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 124.1 | 171.3 | -55.9 | 0 | 0 | 0 | 0 | 109.3 | S26 V27 | S26-T47 CarbonylContact O-C 3.55Å; S26-T47 WeakPolarHBondContact O-CA 3.3Å; V27-T47 HydrophobicContact CG2-CG2 4.47Å |
| 48 | L | 83.8 | Confident | 79.1 | Confident | 65 Ų | 65 | 97.5 Ų | 97.5 | 34% | 0.34 | 53% | 0.533 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 150.1 | -178.4 | -61.5 | 177.3 | 0 | 0 | 0 | 110.2 | S26 E28 T46 | S26-L48 PolarHBondContact N-O 3.5Å; S26-L48 PolarHBondContact O-N 2.86Å; S26-L48 PolarHBondContact OG-O 2.75Å; E28-L48 HydrophobicContact CG-CD1 4.29Å; T46-L48 HydrophobicContact CG2-CD2 3.68Å; T46-L48 HydrophobicContact CG2-CG 3.97Å |
| 49 | L | 80.9 | Confident | 79.1 | Confident | 119 Ų | 119 | 99.3 Ų | 99.3 | 62% | 0.623 | 53% | 0.527 | S | S | * | . | trans | -63.3 | 146.4 | 162 | -71.3 | 173.6 | 0 | 0 | 0 | 108.9 | R51 | L49-R51 VanDerWaalsContact C-N 3.3Å; L49-R51 PolarHBondContact O-N 2.68Å | ||
| 50 | P | 71.3 | Confident | 79.2 | Confident | 25 Ų | 25 | 97.8 Ų | 97.8 | 16% | 0.162 | 53% | 0.526 | C | S | . | . | trans | -68.5 | 90.3 | -179.7 | 19.3 | -17.7 | 0 | 0 | 0 | 109.3 | A23 M24 L173 | A23-P50 HydrophobicContact CB-CB 3.73Å; A23-P50 HydrophobicContact CB-CG 4.21Å; A23-P50 WeakPolarHBondContact O-CG 3.19Å; M24-P50 WeakPolarHBondContact O-CD 3.26Å; P50-L173 HydrophobicContact CG-CD1 4.39Å; P50-L173 HydrophobicContact CG-CD2 4.04Å | ||
| 51 | R | 59.4 | Low | 79.2 | Confident | 205 Ų | 205 | 98.7 Ų | 98.7 | 77% | 0.774 | 52% | 0.521 | S | S | * | . | P | Polyproline II helix | trans | -83.6 | 119.4 | 174.9 | -73 | -175.8 | 170.7 | 162 | -1 | 108.5 | L49 L54 | L49-R51 VanDerWaalsContact C-N 3.3Å; L49-R51 PolarHBondContact O-N 2.68Å; R51-L54 WeakPolarHBondContact O-CD1 3.46Å |
| 52 | Q | 55.6 | Low | 79.2 | Confident | 189 Ų | 189 | 96.6 Ų | 96.6 | 88% | 0.883 | 52% | 0.517 | S | S | * | . | S | Bend | trans | -85.2 | 136 | 175.9 | -155.7 | 170.1 | 15.4 | 0 | 0 | 109.4 | ||
| 53 | P | 55.5 | Low | 78.9 | Confident | 120 Ų | 120 | 93.9 Ų | 93.9 | 78% | 0.779 | 50% | 0.499 | S | S | * | . | S | Bend | cis | -91.2 | 131.2 | 2.7 | 6.8 | 13.2 | 0 | 0 | 0 | 112.2 | ||
| 54 | L | 57.5 | Low | 78.6 | Confident | 55 Ų | 55 | 96 Ų | 96 | 29% | 0.288 | 51% | 0.507 | S | S | . | . | P | Polyproline II helix | trans | -71.2 | 148.9 | 173.8 | -78.5 | 106 | 0 | 0 | 0 | 112 | R51 I156 M158 | R51-L54 WeakPolarHBondContact O-CD1 3.46Å; L54-I156 HydrophobicContact CD2-CG2 4.14Å; L54-M158 HydrophobicContact CB-SD 4.36Å; L54-M158 HydrophobicContact CD1-CE 3.48Å; L54-M158 VanDerWaalsContact CD1-CE 3.48Å; L54-M158 HydrophobicContact CD1-SD 4.21Å; L54-M158 HydrophobicContact CD2-CE 4.01Å; L54-M158 HydrophobicContact CD2-CG 4.03Å; L54-M158 HydrophobicContact CD2-SD 3.77Å; L54-M158 HydrophobicContact CG-CE 4.22Å; L54-M158 HydrophobicContact CG-SD 4.32Å |
| 55 | P | 61.3 | Low | 78.2 | Confident | 69 Ų | 69 | 97.5 Ų | 97.5 | 45% | 0.448 | 51% | 0.514 | S | S | . | . | P | Polyproline II helix | trans | -85.6 | 165.9 | -152.9 | -10.4 | 29.6 | 0 | 0 | 0 | 115.6 | G57 I156 | P55-G57 PolarHBondContact O-N 2.96Å; P55-I156 HydrophobicContact CG-CD1 4.29Å |
| 56 | L | 65.7 | Low | 77.9 | Confident | 177 Ų | 177 | 97.7 Ų | 97.7 | 93% | 0.927 | 51% | 0.505 | S | S | * | . | S | Bend | trans | -46.6 | 74.9 | 176.4 | -96.1 | 79 | 0 | 0 | 0 | 114.8 | ||
| 57 | G | 75.3 | Confident | 77.9 | Confident | 27 Ų | 27 | 94.8 Ų | 94.8 | 28% | 0.278 | 49% | 0.487 | S | S | . | . | trans | -122.6 | 156.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114 | P55 A70 | P55-G57 PolarHBondContact O-N 2.96Å; G57-A70 CarbonylContact C-O 3.48Å; G57-A70 VanDerWaalsContact CA-O 3.25Å; G57-A70 WeakPolarHBondContact CA-O 3.15Å | ||
| 58 | I | 86 | Confident | 77.9 | Confident | 123 Ų | 123 | 90.3 Ų | 90.3 | 63% | 0.631 | 46% | 0.46 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 122.7 | 172.2 | -60.7 | 169.2 | 0 | 0 | 0 | 107.9 | V60 H69 A70 | I58-V60 HydrophobicContact CG2-CG1 4.31Å; I58-V60 PolarHBondContact O-N 2.8Å; I58-V60 VanDerWaalsContact O-N 3.07Å; I58-H69 CarbonylContact O-C 3.51Å; I58-H69 VanDerWaalsContact O-CA 3.3Å; I58-H69 WeakPolarHBondContact O-CA 3.24Å; I58-A70 PolarHBondContact N-O 3.27Å; I58-A70 PolarHBondContact O-N 2.8Å |
| 59 | K | 90.1 | Very high | 78.2 | Confident | 84 Ų | 84 | 89 Ų | 89 | 37% | 0.365 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 106 | 172.7 | -171.4 | 171 | 82 | 178.8 | 0 | 109.5 | E62 V67 | K59-E62 HydrophobicContact CD-CB 4.09Å; K59-E62 WeakPolarHBondContact CE-OE2 3.47Å; K59-E62 IonicContact NZ-OE1 2.86Å; K59-E62 PolarHBondContact NZ-OE1 3.26Å; K59-E62 IonicContact NZ-OE2 2.59Å; K59-E62 PolarHBondContact NZ-OE2 3.32Å; K59-V67 HydrophobicContact CD-CG1 3.59Å; K59-V67 HydrophobicContact CG-CG1 3.66Å |
| 60 | V | 91.1 | Very high | 78.6 | Confident | 83 Ų | 83 | 84.5 Ų | 84.5 | 50% | 0.503 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | -23.9 | -177.6 | -66.8 | 0 | 0 | 0 | 0 | 112.4 | I58 V68 A70 | I58-V60 HydrophobicContact CG2-CG1 4.31Å; I58-V60 PolarHBondContact O-N 2.8Å; I58-V60 VanDerWaalsContact O-N 3.07Å; V60-V68 HydrophobicContact CG2-CB 4Å; V60-V68 HydrophobicContact CG2-CG1 3.91Å; V60-V68 WeakPolarHBondContact CG2-O 3.29Å; V60-V68 PolarHBondContact N-O 2.87Å; V60-A70 HydrophobicContact CG1-CB 3.73Å; V60-A70 HydrophobicContact CG2-CB 4.37Å |
| 61 | Y | 90.8 | Very high | 79.3 | Confident | 104 Ų | 104 | 84.5 Ų | 84.5 | 41% | 0.408 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 143.1 | 178.7 | -178.6 | -86.9 | 0 | 0 | 0 | 111.1 | D63 K66 V67 V68 | Y61-D63 HydrophobicContact CE1-CB 3.89Å; Y61-D63 PolarHBondContact OH-OD2 3.06Å; Y61-D63 VanDerWaalsContact OH-OD2 3.1Å; Y61-K66 HydrophobicContact CD1-CD 4.5Å; Y61-K66 HydrophobicContact CD1-CG 4.36Å; Y61-K66 HydrophobicContact CE1-CD 3.97Å; Y61-K66 HydrophobicContact CE1-CG 3.81Å; Y61-K66 PolarHBondContact OH-NZ 3.02Å; Y61-V67 CarbonylContact O-C 3.52Å; Y61-V67 WeakPolarHBondContact O-CA 3.45Å; Y61-V67 WeakPolarHBondContact O-CG1 3.18Å; Y61-V68 HydrophobicContact CD1-CG2 4.06Å; Y61-V68 HydrophobicContact CG-CG2 4.35Å; Y61-V68 PolarHBondContact N-O 3.43Å; Y61-V68 PolarHBondContact O-N 3.38Å |
| 62 | E | 91.6 | Very high | 80.2 | Confident | 103 Ų | 103 | 79.6 Ų | 79.6 | 48% | 0.481 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 131.7 | 172.7 | 172.2 | 173.2 | -112.1 | 0 | 0 | 109.5 | K59 K66 V67 | K59-E62 HydrophobicContact CD-CB 4.09Å; K59-E62 WeakPolarHBondContact CE-OE2 3.47Å; K59-E62 IonicContact NZ-OE1 2.86Å; K59-E62 PolarHBondContact NZ-OE1 3.26Å; K59-E62 IonicContact NZ-OE2 2.59Å; K59-E62 PolarHBondContact NZ-OE2 3.32Å; E62-K66 WeakPolarHBondContact CA-O 3.32Å; E62-V67 HydrophobicContact CB-CG2 4.22Å; E62-V67 HydrophobicContact CG-CG2 3.95Å |
| 63 | D | 88.3 | Confident | 80.7 | Confident | 41 Ų | 41 | 70.9 Ų | 70.9 | 22% | 0.219 | 38% | 0.382 | C | S | . | . | trans | -128.3 | -165.1 | 164.5 | 72.1 | 26.1 | 0 | 0 | 0 | 111 | K21 Y61 T65 K66 | K21-D63 PolarHBondContact NZ-O 3.26Å; Y61-D63 HydrophobicContact CE1-CB 3.89Å; Y61-D63 PolarHBondContact OH-OD2 3.06Å; Y61-D63 VanDerWaalsContact OH-OD2 3.1Å; D63-T65 VanDerWaalsContact C-N 3.25Å; D63-T65 PolarHBondContact O-N 3.17Å; D63-T65 WeakPolarHBondContact OD1-CA 3.23Å; D63-T65 PolarHBondContact OD1-N 3.03Å; D63-T65 PolarHBondContact OD1-OG1 3.2Å; D63-K66 VanDerWaalsContact CG-CG 3.43Å; D63-K66 PolarHBondContact N-O 3.07Å; D63-K66 VanDerWaalsContact OD1-CG 3.23Å; D63-K66 WeakPolarHBondContact OD1-CG 3.25Å; D63-K66 PolarHBondContact OD1-N 3.4Å; D63-K66 WeakPolarHBondContact OD2-CE 3.38Å; D63-K66 WeakPolarHBondContact OD2-CG 3.3Å; D63-K66 IonicContact OD2-NZ 2.66Å; D63-K66 PolarHBondContact OD2-NZ 3.49Å | ||
| 64 | E | 83.9 | Confident | 80.8 | Confident | 136 Ų | 136 | 68.1 Ų | 68.1 | 64% | 0.636 | 36% | 0.362 | S | S | * | . | S | Bend | trans | -64.2 | -31.9 | 179.7 | -63.2 | -172.7 | 152.7 | 0 | 0 | 112.8 | L11 K21 | L11-E64 HydrophobicContact CD1-CG 4.31Å; K21-E64 VanDerWaalsContact CE-O 3.27Å; K21-E64 WeakPolarHBondContact CE-O 3.47Å; K21-E64 PolarHBondContact NZ-O 3.46Å |
| 65 | T | 81.8 | Confident | 80.5 | Confident | 82 Ų | 82 | 69.7 Ų | 69.7 | 50% | 0.503 | 38% | 0.384 | S | S | . | . | S | Bend | trans | -117.4 | -14.9 | -166.6 | 62 | 0 | 0 | 0 | 0 | 114.9 | D63 G159 Y160 | D63-T65 VanDerWaalsContact C-N 3.25Å; D63-T65 PolarHBondContact O-N 3.17Å; D63-T65 WeakPolarHBondContact OD1-CA 3.23Å; D63-T65 PolarHBondContact OD1-N 3.03Å; D63-T65 PolarHBondContact OD1-OG1 3.2Å; T65-G159 CarbonylContact O-C 3.58Å; T65-G159 WeakPolarHBondContact O-CA 3.47Å; T65-Y160 PolarHBondContact O-N 2.93Å |
| 66 | K | 88 | Confident | 80.1 | Confident | 79 Ų | 79 | 74.6 Ų | 74.6 | 34% | 0.343 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 147.6 | -177.3 | 60.7 | 170 | -171.2 | -66.5 | 0 | 113 | Y61 E62 D63 M158 | Y61-K66 HydrophobicContact CD1-CD 4.5Å; Y61-K66 HydrophobicContact CD1-CG 4.36Å; Y61-K66 HydrophobicContact CE1-CD 3.97Å; Y61-K66 HydrophobicContact CE1-CG 3.81Å; Y61-K66 PolarHBondContact OH-NZ 3.02Å; E62-K66 WeakPolarHBondContact CA-O 3.32Å; D63-K66 VanDerWaalsContact CG-CG 3.43Å; D63-K66 PolarHBondContact N-O 3.07Å; D63-K66 VanDerWaalsContact OD1-CG 3.23Å; D63-K66 WeakPolarHBondContact OD1-CG 3.25Å; D63-K66 PolarHBondContact OD1-N 3.4Å; D63-K66 WeakPolarHBondContact OD2-CE 3.38Å; D63-K66 WeakPolarHBondContact OD2-CG 3.3Å; D63-K66 IonicContact OD2-NZ 2.66Å; D63-K66 PolarHBondContact OD2-NZ 3.49Å; K66-M158 CarbonylContact C-O 3.55Å; K66-M158 WeakPolarHBondContact CA-O 3.25Å |
| 67 | V | 88.8 | Confident | 79.3 | Confident | 5 Ų | 5 | 70.7 Ų | 70.7 | 3% | 0.03 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 140.8 | 169.5 | -178.9 | 0 | 0 | 0 | 0 | 108.9 | K59 Y61 E62 H69 F157 M158 Y160 | K59-V67 HydrophobicContact CD-CG1 3.59Å; K59-V67 HydrophobicContact CG-CG1 3.66Å; Y61-V67 CarbonylContact O-C 3.52Å; Y61-V67 WeakPolarHBondContact O-CA 3.45Å; Y61-V67 WeakPolarHBondContact O-CG1 3.18Å; E62-V67 HydrophobicContact CB-CG2 4.22Å; E62-V67 HydrophobicContact CG-CG2 3.95Å; V67-H69 WeakPolarHBondContact CG1-CE1 3.33Å; V67-F157 CarbonylContact O-C 3.51Å; V67-F157 WeakPolarHBondContact O-CA 3.39Å; V67-M158 PolarHBondContact N-O 3.34Å; V67-M158 PolarHBondContact O-N 3.1Å; V67-Y160 HydrophobicContact CB-CE2 3.63Å; V67-Y160 HydrophobicContact CG2-CD2 3.98Å; V67-Y160 HydrophobicContact CG2-CE2 3.28Å |
| 68 | V | 89.4 | Confident | 78 | Confident | 6 Ų | 6 | 73.7 Ų | 73.7 | 4% | 0.036 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 126.2 | 175.3 | -168.9 | 0 | 0 | 0 | 0 | 109.4 | V60 Y61 M155 I156 F157 | V60-V68 HydrophobicContact CG2-CB 4Å; V60-V68 HydrophobicContact CG2-CG1 3.91Å; V60-V68 WeakPolarHBondContact CG2-O 3.29Å; V60-V68 PolarHBondContact N-O 2.87Å; Y61-V68 HydrophobicContact CD1-CG2 4.06Å; Y61-V68 HydrophobicContact CG-CG2 4.35Å; Y61-V68 PolarHBondContact N-O 3.43Å; Y61-V68 PolarHBondContact O-N 3.38Å; V68-M155 HydrophobicContact CG1-CB 4.42Å; V68-M155 HydrophobicContact CG1-CE 3.71Å; V68-I156 CarbonylContact C-O 3.54Å; V68-I156 WeakPolarHBondContact CA-O 3.39Å; V68-F157 HydrophobicContact CB-CD1 4.3Å; V68-F157 HydrophobicContact CB-CE1 4.34Å; V68-F157 HydrophobicContact CG1-CD1 4.03Å; V68-F157 HydrophobicContact CG1-CD2 4.47Å; V68-F157 HydrophobicContact CG1-CE1 3.82Å; V68-F157 HydrophobicContact CG1-CE2 4.28Å; V68-F157 HydrophobicContact CG1-CG 4.34Å; V68-F157 HydrophobicContact CG1-CZ 3.95Å; V68-F157 HydrophobicContact CG2-CD1 3.35Å; V68-F157 HydrophobicContact CG2-CE1 3.51Å; V68-F157 HydrophobicContact CG2-CG 4.19Å; V68-F157 HydrophobicContact CG2-CZ 4.45Å |
| 69 | H | 89.7 | Confident | 76.4 | Confident | 37 Ų | 37 | 72.6 Ų | 72.6 | 17% | 0.171 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 133.4 | 172.8 | -60.2 | 87.9 | 0 | 0 | 0 | 109.9 | I58 V67 M155 I156 | I58-H69 CarbonylContact O-C 3.51Å; I58-H69 VanDerWaalsContact O-CA 3.3Å; I58-H69 WeakPolarHBondContact O-CA 3.24Å; V67-H69 WeakPolarHBondContact CG1-CE1 3.33Å; H69-M155 CarbonylContact O-C 3.56Å; H69-M155 WeakPolarHBondContact O-CA 3.38Å; H69-I156 HydrophobicContact CB-CB 4.38Å; H69-I156 PolarHBondContact N-O 2.88Å; H69-I156 PolarHBondContact O-N 2.66Å |
| 70 | A | 89 | Confident | 74.7 | Confident | 24 Ų | 24 | 75.4 Ų | 75.4 | 20% | 0.198 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 130.5 | 170.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | G57 I58 V60 | G57-A70 CarbonylContact C-O 3.48Å; G57-A70 VanDerWaalsContact CA-O 3.25Å; G57-A70 WeakPolarHBondContact CA-O 3.15Å; I58-A70 PolarHBondContact N-O 3.27Å; I58-A70 PolarHBondContact O-N 2.8Å; V60-A70 HydrophobicContact CG1-CB 3.73Å; V60-A70 HydrophobicContact CG2-CB 4.37Å |
| 71 | V | 86.4 | Confident | 73.7 | Confident | 25 Ų | 25 | 75.6 Ų | 75.6 | 15% | 0.152 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 126.8 | 177.4 | -175.4 | 0 | 0 | 0 | 0 | 107.2 | G73 T154 I156 | V71-G73 PolarHBondContact O-N 2.84Å; V71-T154 PolarHBondContact N-O 2.79Å; V71-T154 PolarHBondContact O-N 2.83Å; V71-I156 HydrophobicContact CG2-CD1 3.87Å; V71-I156 HydrophobicContact CG2-CG1 4.37Å |
| 72 | D | 79.4 | Confident | 73.1 | Confident | 102 Ų | 102 | 75.8 Ų | 75.8 | 55% | 0.545 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 125 | 173.3 | -60 | -47.8 | 0 | 0 | 0 | 108.6 | T74 A75 | D72-T74 PolarHBondContact O-N 3.2Å; D72-A75 PolarHBondContact O-N 2.77Å |
| 73 | G | 64.4 | Low | 72.8 | Confident | 7 Ų | 7 | 72.7 Ų | 72.7 | 7% | 0.072 | 42% | 0.42 | C | S | . | . | G | 310 helix | trans | -65.3 | 0.3 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | V71 A75 E76 N77 P152 | V71-G73 PolarHBondContact O-N 2.84Å; G73-A75 PolarHBondContact O-N 2.83Å; G73-A75 VanDerWaalsContact O-N 3.16Å; G73-E76 PolarHBondContact O-N 3.05Å; G73-N77 PolarHBondContact O-N 3.1Å; G73-P152 WeakPolarHBondContact CA-O 3.4Å; G73-P152 PolarHBondContact N-O 2.81Å |
| 74 | T | 57.8 | Low | 72.7 | Confident | 61 Ų | 61 | 76 Ų | 76 | 37% | 0.374 | 45% | 0.446 | S | S | . | . | G | 310 helix | trans | -61.1 | -16 | 170.2 | 52.2 | 0 | 0 | 0 | 0 | 113.4 | D72 P151 | D72-T74 PolarHBondContact O-N 3.2Å; T74-P151 HydrophobicContact CG2-CB 3.95Å; T74-P151 HydrophobicContact CG2-CG 4.27Å |
| 75 | A | 53 | Low | 72.9 | Confident | 89 Ų | 89 | 73 Ų | 73 | 74% | 0.736 | 44% | 0.44 | S | S | * | . | G | 310 helix | trans | -77.5 | -26 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | D72 G73 | D72-A75 PolarHBondContact O-N 2.77Å; G73-A75 PolarHBondContact O-N 2.83Å; G73-A75 VanDerWaalsContact O-N 3.16Å |
| 76 | E | 51.9 | Low | 73.3 | Confident | 172 Ų | 172 | 73 Ų | 73 | 80% | 0.804 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.8 | -31.8 | -171.6 | -165.7 | 171.2 | 98 | 0 | 0 | 113.2 | G73 | G73-E76 PolarHBondContact O-N 3.05Š|
| 77 | N | 49.1 | Very low | 73.6 | Confident | 95 Ų | 95 | 72.3 Ų | 72.3 | 51% | 0.508 | 44% | 0.437 | S | S | . | . | S | Bend | trans | -94.5 | 116.6 | 169.5 | -67.6 | 89.2 | 0 | 0 | 0 | 107.6 | G73 I79 | G73-N77 PolarHBondContact O-N 3.1Å; N77-I79 PolarHBondContact O-N 2.92Å |
| 78 | G | 48.2 | Very low | 73.8 | Confident | 89 Ų | 89 | 76.2 Ų | 76.2 | 92% | 0.918 | 46% | 0.458 | S | S | * | . | trans | -60.6 | 36.5 | -174.1 | 0 | 0 | 0 | 0 | 0 | 117.6 | H80 | G78-H80 PolarHBondContact O-N 3.45Š| ||
| 79 | I | 52.5 | Low | 74 | Confident | 100 Ų | 100 | 81.4 Ų | 81.4 | 51% | 0.513 | 48% | 0.482 | S | S | . | . | trans | -90.8 | 83.9 | 169.6 | -47.7 | -176.1 | 0 | 0 | 0 | 105.8 | N77 I145 | N77-I79 PolarHBondContact O-N 2.92Å; I79-I145 HydrophobicContact CD1-CD1 3.26Å; I79-I145 HydrophobicContact CD1-CG1 4.28Å | ||
| 80 | H | 54.6 | Low | 74.2 | Confident | 143 Ų | 143 | 84.9 Ų | 84.9 | 66% | 0.662 | 50% | 0.501 | S | S | * | . | P | Polyproline II helix | trans | -62.2 | 127.6 | 170.5 | -169.9 | 69.6 | 0 | 0 | 0 | 108.3 | G78 L82 | G78-H80 PolarHBondContact O-N 3.45Å; H80-L82 PolarHBondContact O-N 3.29Å |
| 81 | P | 69.6 | Low | 74.4 | Confident | 87 Ų | 87 | 88.2 Ų | 88.2 | 57% | 0.565 | 51% | 0.514 | S | S | * | . | P | Polyproline II helix | trans | -56.8 | 132.7 | 169.7 | 23.6 | -31.3 | 0 | 0 | 0 | 108.5 | S83 | P81-S83 PolarHBondContact O-N 2.99Š|
| 82 | L | 76.9 | Confident | 74.8 | Confident | 108 Ų | 108 | 92 Ų | 92 | 57% | 0.565 | 53% | 0.53 | S | S | * | . | P | Polyproline II helix | trans | -54.2 | 131.8 | -179.6 | -63.1 | 174.8 | 0 | 0 | 0 | 109.9 | H80 E86 V87 | H80-L82 PolarHBondContact O-N 3.29Å; L82-E86 HydrophobicContact CB-CB 4.27Å; L82-E86 HydrophobicContact CD2-CB 4.27Å; L82-V87 HydrophobicContact CB-CG2 3.78Å; L82-V87 HydrophobicContact CD1-CG2 4.31Å |
| 83 | S | 85.6 | Confident | 75.4 | Confident | 39 Ų | 39 | 92.8 Ų | 92.8 | 27% | 0.273 | 53% | 0.528 | S | S | . | . | P | Polyproline II helix | trans | -62.8 | 154.1 | 170.3 | 65.7 | 0 | 0 | 0 | 0 | 110.1 | P81 S85 E86 V87 | P81-S83 PolarHBondContact O-N 2.99Å; S83-S85 PolarHBondContact O-N 3.32Å; S83-S85 VanDerWaalsContact O-N 3.1Å; S83-S85 PolarHBondContact OG-OG 2.59Å; S83-E86 VanDerWaalsContact CB-OE2 3.24Å; S83-E86 WeakPolarHBondContact CB-OE2 3.34Å; S83-E86 PolarHBondContact N-OE2 2.86Å; S83-E86 PolarHBondContact O-N 3.1Å; S83-E86 VanDerWaalsContact OG-CG 3.29Å; S83-E86 WeakPolarHBondContact OG-CG 3.43Å; S83-E86 PolarHBondContact OG-N 2.63Å; S83-E86 PolarHBondContact OG-OE2 2.93Å; S83-V87 PolarHBondContact O-N 3.1Å; S83-V87 VanDerWaalsContact O-N 3.1Å |
| 84 | S | 86.4 | Confident | 76.7 | Confident | 110 Ų | 110 | 94.9 Ų | 94.9 | 77% | 0.769 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -55.6 | -31.7 | 178.1 | 55.1 | 0 | 0 | 0 | 0 | 112.7 | D88 | S84-D88 WeakPolarHBondContact O-CB 3.32Å; S84-D88 PolarHBondContact O-N 2.73Å; S84-D88 VanDerWaalsContact O-N 3.1Å |
| 85 | S | 89 | Confident | 78.3 | Confident | 73 Ų | 73 | 96.3 Ų | 96.3 | 51% | 0.51 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -67.8 | -42.4 | 174.1 | 35.9 | 0 | 0 | 0 | 0 | 113.2 | S83 V87 D88 E89 | S83-S85 PolarHBondContact O-N 3.32Å; S83-S85 VanDerWaalsContact O-N 3.1Å; S83-S85 PolarHBondContact OG-OG 2.59Å; S85-V87 VanDerWaalsContact C-N 3.29Å; S85-V87 PolarHBondContact O-N 3.1Å; S85-D88 PolarHBondContact O-N 2.99Å; S85-E89 WeakPolarHBondContact O-CG 3.3Å; S85-E89 PolarHBondContact O-N 3.3Å |
| 86 | E | 90.5 | Very high | 79.6 | Confident | 83 Ų | 83 | 98.4 Ų | 98.4 | 39% | 0.388 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -66.5 | -35.7 | 178 | -73 | 163.3 | 119.8 | 0 | 0 | 111.4 | L82 S83 L90 | L82-E86 HydrophobicContact CB-CB 4.27Å; L82-E86 HydrophobicContact CD2-CB 4.27Å; S83-E86 VanDerWaalsContact CB-OE2 3.24Å; S83-E86 WeakPolarHBondContact CB-OE2 3.34Å; S83-E86 PolarHBondContact N-OE2 2.86Å; S83-E86 PolarHBondContact O-N 3.1Å; S83-E86 VanDerWaalsContact OG-CG 3.29Å; S83-E86 WeakPolarHBondContact OG-CG 3.43Å; S83-E86 PolarHBondContact OG-N 2.63Å; S83-E86 PolarHBondContact OG-OE2 2.93Å; E86-L90 WeakPolarHBondContact O-CB 3.16Å; E86-L90 PolarHBondContact O-N 3.39Å |
| 87 | V | 93.3 | Very high | 81.1 | Confident | 63 Ų | 63 | 94.5 Ų | 94.5 | 38% | 0.382 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64.8 | -45.5 | 174.1 | 178.4 | 0 | 0 | 0 | 0 | 110.8 | L82 S83 S85 L90 I91 | L82-V87 HydrophobicContact CB-CG2 3.78Å; L82-V87 HydrophobicContact CD1-CG2 4.31Å; S83-V87 PolarHBondContact O-N 3.1Å; S83-V87 VanDerWaalsContact O-N 3.1Å; S85-V87 VanDerWaalsContact C-N 3.29Å; S85-V87 PolarHBondContact O-N 3.1Å; V87-L90 PolarHBondContact O-N 3.07Å; V87-I91 HydrophobicContact CG1-CD1 4.08Å; V87-I91 WeakPolarHBondContact O-CG1 3.27Å; V87-I91 PolarHBondContact O-N 2.85Å; V87-I91 VanDerWaalsContact O-N 3.07Å |
| 88 | D | 93.8 | Very high | 82.4 | Confident | 88 Ų | 88 | 93.9 Ų | 93.9 | 47% | 0.471 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62.2 | -43.5 | 178.9 | -168.3 | -105.7 | 0 | 0 | 0 | 112.3 | S84 S85 L90 I91 H92 | S84-D88 WeakPolarHBondContact O-CB 3.32Å; S84-D88 PolarHBondContact O-N 2.73Å; S84-D88 VanDerWaalsContact O-N 3.1Å; S85-D88 PolarHBondContact O-N 2.99Å; D88-L90 VanDerWaalsContact C-N 3.27Å; D88-L90 PolarHBondContact O-N 2.85Å; D88-I91 PolarHBondContact O-N 3.32Å; D88-H92 PolarHBondContact O-CD2 2.9Å; D88-H92 PolarHBondContact O-N 2.67Å; D88-H92 IonicContact OD1-CD2 3.64Å; D88-H92 PolarHBondContact OD1-CD2 2.79Å; D88-H92 IonicContact OD1-NE2 2.68Å |
| 89 | E | 93.6 | Very high | 83.3 | Confident | 115 Ų | 115 | 96.3 Ų | 96.3 | 54% | 0.537 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -60.5 | -36.3 | 174.2 | -73.8 | -165.8 | 133.6 | 0 | 0 | 112.7 | S85 K93 | S85-E89 WeakPolarHBondContact O-CG 3.3Å; S85-E89 PolarHBondContact O-N 3.3Å; E89-K93 WeakPolarHBondContact O-CG 3.49Å; E89-K93 PolarHBondContact O-N 2.71Å |
| 90 | L | 93.2 | Very high | 83.8 | Confident | 109 Ų | 109 | 95 Ų | 95 | 57% | 0.571 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -71.6 | -37.2 | 179.9 | -155.2 | 70.6 | 0 | 0 | 0 | 111.8 | E86 V87 D88 K93 A94 | E86-L90 WeakPolarHBondContact O-CB 3.16Å; E86-L90 PolarHBondContact O-N 3.39Å; V87-L90 PolarHBondContact O-N 3.07Å; D88-L90 VanDerWaalsContact C-N 3.27Å; D88-L90 PolarHBondContact O-N 2.85Å; L90-K93 PolarHBondContact O-N 2.97Å; L90-A94 PolarHBondContact O-N 2.87Å |
| 91 | I | 94 | Very high | 83.9 | Confident | 94 Ų | 94 | 95.6 Ų | 95.6 | 48% | 0.482 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63 | -48.2 | 173.8 | -66.3 | 166.1 | 0 | 0 | 0 | 109.8 | V87 D88 K93 A94 D95 | V87-I91 HydrophobicContact CG1-CD1 4.08Å; V87-I91 WeakPolarHBondContact O-CG1 3.27Å; V87-I91 PolarHBondContact O-N 2.85Å; V87-I91 VanDerWaalsContact O-N 3.07Å; D88-I91 PolarHBondContact O-N 3.32Å; I91-K93 PolarHBondContact O-N 2.79Å; I91-A94 WeakPolarHBondContact O-CB 3.47Å; I91-A94 PolarHBondContact O-N 2.92Å; I91-A94 VanDerWaalsContact O-N 3.13Å; I91-D95 PolarHBondContact O-N 2.84Å |
| 92 | H | 94.3 | Very high | 83 | Confident | 105 Ų | 105 | 95.5 Ų | 95.5 | 49% | 0.486 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -59.2 | -44 | 177.3 | -83 | -56.4 | 0 | 0 | 0 | 113 | D88 A94 D95 E96 | D88-H92 PolarHBondContact O-CD2 2.9Å; D88-H92 PolarHBondContact O-N 2.67Å; D88-H92 IonicContact OD1-CD2 3.64Å; D88-H92 PolarHBondContact OD1-CD2 2.79Å; D88-H92 IonicContact OD1-NE2 2.68Å; H92-A94 VanDerWaalsContact C-N 3.3Å; H92-A94 PolarHBondContact O-N 2.8Å; H92-D95 PolarHBondContact O-N 2.91Å; H92-E96 PolarHBondContact O-N 3.49Å; H92-E96 VanDerWaalsContact O-N 3.07Å |
| 93 | K | 92 | Very high | 81.8 | Confident | 118 Ų | 118 | 92.8 Ų | 92.8 | 51% | 0.513 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62.6 | -35.9 | 175.9 | -76.2 | 171.3 | -179.5 | 168.4 | 0 | 112.7 | E89 L90 I91 E96 V97 | E89-K93 WeakPolarHBondContact O-CG 3.49Å; E89-K93 PolarHBondContact O-N 2.71Å; L90-K93 PolarHBondContact O-N 2.97Å; I91-K93 PolarHBondContact O-N 2.79Å; K93-E96 PolarHBondContact O-N 2.88Å; K93-V97 WeakPolarHBondContact O-CG2 3.24Å; K93-V97 PolarHBondContact O-N 3.34Å; K93-V97 VanDerWaalsContact O-N 3.1Å |
| 94 | A | 92 | Very high | 79.9 | Confident | 52 Ų | 52 | 95.8 Ų | 95.8 | 43% | 0.43 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -68 | -38.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112 | L90 I91 H92 V97 T98 | L90-A94 PolarHBondContact O-N 2.87Å; I91-A94 WeakPolarHBondContact O-CB 3.47Å; I91-A94 PolarHBondContact O-N 2.92Å; I91-A94 VanDerWaalsContact O-N 3.13Å; H92-A94 VanDerWaalsContact C-N 3.3Å; H92-A94 PolarHBondContact O-N 2.8Å; A94-V97 PolarHBondContact O-N 2.84Å; A94-T98 WeakPolarHBondContact O-CG2 3.44Å; A94-T98 PolarHBondContact O-N 3.37Å; A94-T98 PolarHBondContact O-OG1 2.83Å; A94-T98 VanDerWaalsContact O-OG1 3.07Å |
| 95 | D | 90 | Very high | 77.8 | Confident | 90 Ų | 90 | 97.1 Ų | 97.1 | 48% | 0.481 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -64 | -39.8 | 174.6 | -75.3 | -31.5 | 0 | 0 | 0 | 111.9 | I91 H92 T98 L99 | I91-D95 PolarHBondContact O-N 2.84Å; H92-D95 PolarHBondContact O-N 2.91Å; D95-T98 WeakPolarHBondContact CA-OG1 3.29Å; D95-T98 PolarHBondContact O-N 3.31Å; D95-T98 PolarHBondContact O-OG1 2.76Å; D95-L99 PolarHBondContact O-N 3.16Å |
| 96 | E | 81.5 | Confident | 75.7 | Confident | 134 Ų | 134 | 98.1 Ų | 98.1 | 63% | 0.626 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -66.1 | -39.4 | 176 | -69.6 | -175.1 | 102.7 | 0 | 0 | 112.6 | H92 K93 S100 | H92-E96 PolarHBondContact O-N 3.49Å; H92-E96 VanDerWaalsContact O-N 3.07Å; K93-E96 PolarHBondContact O-N 2.88Å; E96-S100 VanDerWaalsContact O-CB 3.31Å; E96-S100 WeakPolarHBondContact O-CB 3.24Å; E96-S100 PolarHBondContact O-N 2.89Å; E96-S100 PolarHBondContact O-OG 2.96Å |
| 97 | V | 82.3 | Confident | 73.1 | Confident | 89 Ų | 89 | 98 Ų | 98 | 54% | 0.539 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -65.6 | -43 | 175.8 | 170.5 | 0 | 0 | 0 | 0 | 111.2 | K93 A94 S100 E101 | K93-V97 WeakPolarHBondContact O-CG2 3.24Å; K93-V97 PolarHBondContact O-N 3.34Å; K93-V97 VanDerWaalsContact O-N 3.1Å; A94-V97 PolarHBondContact O-N 2.84Å; V97-S100 WeakPolarHBondContact CA-OG 3.21Å; V97-S100 PolarHBondContact O-N 3.4Å; V97-S100 PolarHBondContact O-OG 3.26Å; V97-E101 PolarHBondContact O-N 2.6Å |
| 98 | T | 77.4 | Confident | 70.3 | Confident | 82 Ų | 82 | 100 Ų | 100 | 50% | 0.503 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -68.6 | -35.7 | 179.9 | 52.9 | 0 | 0 | 0 | 0 | 112.8 | A94 D95 A102 | A94-T98 WeakPolarHBondContact O-CG2 3.44Å; A94-T98 PolarHBondContact O-N 3.37Å; A94-T98 PolarHBondContact O-OG1 2.83Å; A94-T98 VanDerWaalsContact O-OG1 3.07Å; D95-T98 WeakPolarHBondContact CA-OG1 3.29Å; D95-T98 PolarHBondContact O-N 3.31Å; D95-T98 PolarHBondContact O-OG1 2.76Å; T98-A102 WeakPolarHBondContact O-CB 3.39Å; T98-A102 PolarHBondContact O-N 2.8Å |
| 99 | L | 67.3 | Low | 67.5 | Low | 141 Ų | 141 | 100.6 Ų | 100.6 | 74% | 0.738 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -71.2 | -34.8 | 173.4 | -115.4 | 92.1 | 0 | 0 | 0 | 113 | D95 G103 | D95-L99 PolarHBondContact O-N 3.16Å; L99-G103 PolarHBondContact O-N 3.35Å |
| 100 | S | 61.5 | Low | 64.9 | Low | 72 Ų | 72 | 104.1 Ų | 104.1 | 50% | 0.503 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -76.7 | -30.1 | -178.9 | 51.9 | 0 | 0 | 0 | 0 | 113.2 | E96 V97 G103 | E96-S100 VanDerWaalsContact O-CB 3.31Å; E96-S100 WeakPolarHBondContact O-CB 3.24Å; E96-S100 PolarHBondContact O-N 2.89Å; E96-S100 PolarHBondContact O-OG 2.96Å; V97-S100 WeakPolarHBondContact CA-OG 3.21Å; V97-S100 PolarHBondContact O-N 3.4Å; V97-S100 PolarHBondContact O-OG 3.26Å; S100-G103 PolarHBondContact O-N 3.01Å |
| 101 | E | 57 | Low | 62 | Low | 156 Ų | 156 | 104.8 Ų | 104.8 | 73% | 0.729 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -73.8 | -38.4 | 172.9 | -156.2 | -160.9 | 126.8 | 0 | 0 | 112 | V97 G103 S104 | V97-E101 PolarHBondContact O-N 2.6Å; E101-G103 PolarHBondContact O-N 3.05Å; E101-S104 PolarHBondContact O-N 2.99Å |
| 102 | A | 52.3 | Low | 59.5 | Low | 85 Ų | 85 | 111.6 Ų | 111.6 | 70% | 0.702 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -68.9 | -15.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | T98 | T98-A102 WeakPolarHBondContact O-CB 3.39Å; T98-A102 PolarHBondContact O-N 2.8Å |
| 103 | G | 51.3 | Low | 56.5 | Low | 50 Ų | 50 | 110.3 Ų | 110.3 | 52% | 0.515 | 69% | 0.689 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -90.3 | -12.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | L99 S100 E101 | L99-G103 PolarHBondContact O-N 3.35Å; S100-G103 PolarHBondContact O-N 3.01Å; E101-G103 PolarHBondContact O-N 3.05Å |
| 104 | S | 45.8 | Very low | 53.8 | Low | 102 Ų | 102 | 109.5 Ų | 109.5 | 71% | 0.713 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107 | 43.2 | -174.5 | -66.3 | 0 | 0 | 0 | 0 | 113.8 | E101 | E101-S104 PolarHBondContact O-N 2.99Š|
| 105 | T | 42.7 | Very low | 51.3 | Low | 138 Ų | 138 | 113.8 Ų | 113.8 | 85% | 0.847 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -134.4 | 38.5 | 154.2 | 59.6 | 0 | 0 | 0 | 0 | 111.4 | ||
| 106 | A | 44.3 | Very low | 48.7 | Very low | 95 Ų | 95 | 118.7 Ų | 118.7 | 79% | 0.785 | 75% | 0.745 | S | S | * | * | trans | -130.9 | 98.9 | 168.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 107 | G | 35.3 | Very low | 46.5 | Very low | 81 Ų | 81 | 116 Ų | 116 | 84% | 0.835 | 75% | 0.754 | S | S | * | * | trans | 137.6 | 77.6 | 155.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 108 | A | 34.1 | Very low | 44.2 | Very low | 105 Ų | 105 | 116.4 Ų | 116.4 | 87% | 0.868 | 77% | 0.766 | S | S | * | * | trans | -136.6 | 92.6 | 143.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 109 | A | 34.7 | Very low | 42.9 | Very low | 100 Ų | 100 | 117 Ų | 117 | 83% | 0.826 | 78% | 0.779 | S | S | * | * | trans | 174.9 | 108.7 | 139.7 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 110 | E | 40 | Very low | 41.6 | Very low | 189 Ų | 189 | 121.3 Ų | 121.3 | 88% | 0.883 | 79% | 0.786 | S | S | * | * | trans | -109.8 | 119.7 | 146.7 | -97.4 | -146.6 | 85.1 | 0 | 0 | 108.6 | ||||
| 111 | T | 32.2 | Very low | 40.8 | Very low | 122 Ų | 122 | 124.7 Ų | 124.7 | 75% | 0.748 | 80% | 0.804 | S | S | * | * | -173.7 | 111.6 | 126.2 | -77.2 | 0 | 0 | 0 | 0 | 110 | |||||
| 112 | R | 42.3 | Very low | 39.7 | Very low | 238 Ų | 238 | 123.6 Ų | 123.6 | 90% | 0.898 | 81% | 0.808 | S | S | * | * | trans | 58 | 118.9 | 148.5 | -76.1 | 177.7 | 163.9 | 160 | -3.6 | 121 | ||||
| 113 | G | 31 | Very low | 39.2 | Very low | 77 Ų | 77 | 125.2 Ų | 125.2 | 79% | 0.794 | 81% | 0.811 | S | S | * | * | 109.7 | 119.1 | 120.7 | 0 | 0 | 0 | 0 | 0 | 116.8 | |||||
| 114 | A | 34.1 | Very low | 38.6 | Very low | 101 Ų | 101 | 127.5 Ų | 127.5 | 84% | 0.835 | 82% | 0.819 | S | S | * | * | trans | 86.5 | 101.7 | 157.9 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 115 | V | 39.6 | Very low | 38.7 | Very low | 142 Ų | 142 | 134.1 Ų | 134.1 | 86% | 0.861 | 83% | 0.829 | S | S | * | * | trans | 54 | 111.2 | 138 | -176.9 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 116 | E | 35.3 | Very low | 39.4 | Very low | 193 Ų | 193 | 138 Ų | 138 | 90% | 0.902 | 83% | 0.828 | S | S | * | * | trans | 10.1 | 111.1 | 162.8 | -75.6 | -180 | 82.1 | 0 | 0 | 120.4 | ||||
| 117 | G | 35.2 | Very low | 39.6 | Very low | 78 Ų | 78 | 141 Ų | 141 | 80% | 0.804 | 83% | 0.825 | S | S | * | * | trans | -94.3 | -168.6 | 160.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 118 | A | 35.6 | Very low | 40.4 | Very low | 97 Ų | 97 | 144.8 Ų | 144.8 | 80% | 0.802 | 83% | 0.825 | S | S | * | * | cis | -156.3 | 130.2 | 18.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 119 | A | 49.6 | Very low | 41.1 | Very low | 94 Ų | 94 | 145.8 Ų | 145.8 | 78% | 0.777 | 82% | 0.82 | S | S | * | * | trans | -83.8 | 127.1 | 152.4 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 120 | R | 40.1 | Very low | 41.7 | Very low | 233 Ų | 233 | 144.5 Ų | 144.5 | 88% | 0.879 | 82% | 0.817 | S | S | * | * | trans | -146.3 | 96.7 | 154.7 | -72.1 | -161.2 | 179.2 | 177.3 | 1 | 111.6 | ||||
| 121 | T | 43.8 | Very low | 41.9 | Very low | 143 Ų | 143 | 142.1 Ų | 142.1 | 88% | 0.877 | 82% | 0.815 | S | S | * | * | trans | -32.6 | 124.6 | 144.9 | 4.7 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 122 | T | 34.3 | Very low | 42.7 | Very low | 132 Ų | 132 | 143.8 Ų | 143.8 | 81% | 0.81 | 82% | 0.815 | S | S | * | * | trans | -90.5 | 138 | 165 | 46.5 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 123 | P | 40.9 | Very low | 42.6 | Very low | 119 Ų | 119 | 136.7 Ų | 136.7 | 77% | 0.773 | 81% | 0.806 | S | S | * | * | trans | -84.4 | 156.4 | -174.4 | 34.2 | -33.6 | 0 | 0 | 0 | 112.7 | ||||
| 124 | S | 39.1 | Very low | 43.2 | Very low | 99 Ų | 99 | 140.2 Ų | 140.2 | 69% | 0.692 | 80% | 0.802 | S | S | * | * | trans | -19.8 | 127.1 | 175.3 | 49.7 | 0 | 0 | 0 | 0 | 118.9 | R126 | S124-R126 PolarHBondContact O-N 3.46Š| ||
| 125 | R | 48.7 | Very low | 44 | Very low | 240 Ų | 240 | 142.1 Ų | 142.1 | 91% | 0.906 | 81% | 0.806 | S | S | * | * | trans | -50.6 | 100.5 | 155.3 | -176.1 | 179.3 | -155.6 | -110.4 | 2.6 | 109.4 | E127 | R125-E127 PolarHBondContact O-N 3.03Š| ||
| 126 | R | 56.4 | Low | 44.3 | Very low | 219 Ų | 219 | 138 Ų | 138 | 83% | 0.826 | 79% | 0.792 | S | S | * | * | trans | -74.7 | 108.6 | 168.7 | -72.4 | -179.5 | 175.6 | 169.3 | -1.8 | 108.1 | S124 I128 | S124-R126 PolarHBondContact O-N 3.46Å; R126-I128 PolarHBondContact O-N 2.98Å | ||
| 127 | E | 48.5 | Very low | 44.9 | Very low | 158 Ų | 158 | 138.4 Ų | 138.4 | 74% | 0.738 | 79% | 0.794 | S | S | * | * | trans | -63 | 109 | 161.8 | -162.6 | 175.2 | 163.4 | 0 | 0 | 107.5 | R125 T129 | R125-E127 PolarHBondContact O-N 3.03Å; E127-T129 PolarHBondContact O-N 3.28Å | ||
| 128 | I | 52.6 | Low | 45.4 | Very low | 161 Ų | 161 | 139.1 Ų | 139.1 | 83% | 0.826 | 79% | 0.793 | S | S | * | * | trans | -90.9 | 79.5 | 174.2 | 19 | 168.8 | 0 | 0 | 0 | 108.2 | R126 G130 | R126-I128 PolarHBondContact O-N 2.98Å; I128-G130 PolarHBondContact O-N 3.09Å | ||
| 129 | T | 49.8 | Very low | 45.7 | Very low | 126 Ų | 126 | 140.1 Ų | 140.1 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | trans | -64.3 | 116.1 | 153.9 | 32.5 | 0 | 0 | 0 | 0 | 108.4 | E127 | E127-T129 PolarHBondContact O-N 3.28Š| ||
| 130 | G | 46.3 | Very low | 45.6 | Very low | 73 Ų | 73 | 141.8 Ų | 141.8 | 75% | 0.753 | 80% | 0.795 | S | S | * | * | trans | 132.6 | 26.3 | 160.2 | 0 | 0 | 0 | 0 | 0 | 120.1 | I128 | I128-G130 PolarHBondContact O-N 3.09Š| ||
| 131 | V | 45.3 | Very low | 45.6 | Very low | 139 Ų | 139 | 132.7 Ų | 132.7 | 84% | 0.842 | 77% | 0.773 | S | S | * | * | trans | -118.9 | 86.9 | 161.5 | -174.6 | 0 | 0 | 0 | 0 | 109.1 | A133 | V131-A133 PolarHBondContact O-N 2.91Š| ||
| 132 | Q | 47.9 | Very low | 45.8 | Very low | 158 Ų | 158 | 131.3 Ų | 131.3 | 74% | 0.738 | 77% | 0.767 | S | S | * | * | trans | -66.4 | 108.4 | 158.5 | -176.8 | -175.7 | 71.1 | 0 | 0 | 106.2 | Q134 | Q132-Q134 PolarHBondContact O-N 3.24Š| ||
| 133 | A | 40.7 | Very low | 46.5 | Very low | 88 Ų | 88 | 131.9 Ų | 131.9 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | trans | -67.3 | 101 | 165 | 0 | 0 | 0 | 0 | 0 | 106.9 | V131 P135 | V131-A133 PolarHBondContact O-N 2.91Å; A133-P135 WeakPolarHBondContact O-CD 3.45Å | ||
| 134 | Q | 43.2 | Very low | 46.8 | Very low | 151 Ų | 151 | 128.8 Ų | 128.8 | 71% | 0.706 | 76% | 0.763 | S | S | * | * | trans | -68.2 | 123.9 | 163.2 | -68.8 | -159.6 | 10.2 | 0 | 0 | 107.5 | Q132 G136 | Q132-Q134 PolarHBondContact O-N 3.24Å; Q134-G136 VanDerWaalsContact C-N 3.3Å; Q134-G136 PolarHBondContact O-N 3.05Å | ||
| 135 | P | 50.2 | Low | 47.4 | Very low | 141 Ų | 141 | 128.6 Ų | 128.6 | 92% | 0.916 | 75% | 0.753 | S | S | * | * | trans | -79.4 | 87.5 | 168.6 | 31.2 | -27 | 0 | 0 | 0 | 107 | A133 | A133-P135 WeakPolarHBondContact O-CD 3.45Š| ||
| 136 | G | 46.5 | Very low | 47.6 | Very low | 55 Ų | 55 | 122.6 Ų | 122.6 | 57% | 0.567 | 74% | 0.735 | S | S | * | * | trans | -151.8 | 112.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | Q134 | Q134-G136 VanDerWaalsContact C-N 3.3Å; Q134-G136 PolarHBondContact O-N 3.05Å | ||
| 137 | E | 48.9 | Very low | 47.3 | Very low | 202 Ų | 202 | 118.2 Ų | 118.2 | 94% | 0.944 | 74% | 0.735 | S | S | * | * | trans | 55.1 | 88.8 | 156.6 | -78.8 | 169.6 | 72.6 | 0 | 0 | 117.7 | ||||
| 138 | A | 44 | Very low | 47.7 | Very low | 94 Ų | 94 | 112.1 Ų | 112.1 | 78% | 0.777 | 72% | 0.715 | S | S | * | * | trans | -162.4 | 107.6 | 132.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 139 | T | 42.1 | Very low | 48.1 | Very low | 117 Ų | 117 | 107.6 Ų | 107.6 | 72% | 0.718 | 69% | 0.69 | S | S | * | * | trans | -171 | 81.9 | 131.9 | -82.8 | 0 | 0 | 0 | 0 | 107.7 | G141 | T139-G141 PolarHBondContact O-N 3.33Š| ||
| 140 | S | 48.4 | Very low | 49.1 | Very low | 130 Ų | 130 | 105.2 Ų | 105.2 | 91% | 0.909 | 67% | 0.67 | S | S | * | * | trans | -71.5 | 77.6 | 142.2 | 55.9 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 141 | G | 40 | Very low | 50.7 | Low | 41 Ų | 41 | 104.8 Ų | 104.8 | 42% | 0.423 | 65% | 0.654 | S | S | . | * | trans | -94.7 | 160.2 | 164.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | T139 | T139-G141 PolarHBondContact O-N 3.33Š| ||
| 142 | P | 47.6 | Very low | 52.7 | Low | 114 Ų | 114 | 99.4 Ų | 99.4 | 74% | 0.74 | 62% | 0.622 | S | S | * | * | trans | -54 | 157.6 | 164.7 | 26.2 | -30.2 | 0 | 0 | 0 | 108.7 | G144 | P142-G144 PolarHBondContact O-N 2.91Š| ||
| 143 | P | 49 | Very low | 54.7 | Low | 145 Ų | 145 | 93.9 Ų | 93.9 | 94% | 0.942 | 60% | 0.599 | S | S | * | * | S | Bend | trans | -68.4 | 71.1 | -179.8 | 30.1 | -34.4 | 0 | 0 | 0 | 109.7 | ||
| 144 | G | 47.2 | Very low | 57 | Low | 54 Ų | 54 | 90.7 Ų | 90.7 | 56% | 0.557 | 57% | 0.571 | S | S | * | * | trans | -102.8 | 118.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 105.7 | P142 Q146 | P142-G144 PolarHBondContact O-N 2.91Å; G144-Q146 PolarHBondContact O-N 3.2Å; G144-Q146 VanDerWaalsContact O-N 3.1Å | ||
| 145 | I | 52 | Low | 59.3 | Low | 94 Ų | 94 | 86.4 Ų | 86.4 | 48% | 0.482 | 55% | 0.551 | S | S | . | * | trans | -15.1 | 107.5 | 168.7 | -57.9 | -178.9 | 0 | 0 | 0 | 110.9 | I79 Q149 | I79-I145 HydrophobicContact CD1-CD1 3.26Å; I79-I145 HydrophobicContact CD1-CG1 4.28Å; I145-Q149 HydrophobicContact CG2-CB 4.13Å | ||
| 146 | Q | 52.8 | Low | 61.2 | Low | 114 Ų | 114 | 80 Ų | 80 | 53% | 0.533 | 51% | 0.509 | S | S | . | . | trans | -58.1 | 136.4 | 172.8 | -71.4 | -86.1 | 29.1 | 0 | 0 | 107.7 | G144 G148 Q149 | G144-Q146 PolarHBondContact O-N 3.2Å; G144-Q146 VanDerWaalsContact O-N 3.1Å; Q146-G148 PolarHBondContact O-N 2.82Å; Q146-Q149 HydrophobicContact CB-CG 4.35Å; Q146-Q149 PolarHBondContact O-N 3.5Å | ||
| 147 | P | 49.2 | Very low | 63.3 | Low | 128 Ų | 128 | 80.4 Ų | 80.4 | 83% | 0.831 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | 102 | 174.3 | 21.4 | -30.2 | 0 | 0 | 0 | 109 | ||
| 148 | G | 57.9 | Low | 65.3 | Low | 30 Ų | 30 | 71.3 Ų | 71.3 | 31% | 0.309 | 45% | 0.453 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 135.9 | -17.6 | -171.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | K35 Q146 | K35-G148 VanDerWaalsContact CB-O 3.24Å; K35-G148 WeakPolarHBondContact CB-O 3.48Å; K35-G148 WeakPolarHBondContact CD-O 3.31Å; K35-G148 WeakPolarHBondContact CG-O 3.34Å; K35-G148 PolarHBondContact N-O 3.41Å; Q146-G148 PolarHBondContact O-N 2.82Å |
| 149 | Q | 61.7 | Low | 67.4 | Low | 66 Ų | 66 | 67 Ų | 67 | 31% | 0.308 | 42% | 0.418 | S | S | . | . | B | Isolated β-bridge | trans | -87.2 | 123.1 | 174.7 | -67.8 | -177.6 | -69.5 | 0 | 0 | 110.3 | E32 I145 Q146 | E32-Q149 PolarHBondContact OE1-NE2 2.65Å; E32-Q149 PolarHBondContact OE2-NE2 3.48Å; I145-Q149 HydrophobicContact CG2-CB 4.13Å; Q146-Q149 HydrophobicContact CB-CG 4.35Å; Q146-Q149 PolarHBondContact O-N 3.5Å |
| 150 | E | 70.8 | Confident | 69.5 | Low | 75 Ų | 75 | 64 Ų | 64 | 35% | 0.35 | 39% | 0.394 | S | S | . | . | P | Polyproline II helix | trans | -70.7 | 147.9 | 170 | -158.8 | 150.8 | 88.6 | 0 | 0 | 109.5 | K35 | K35-E150 VanDerWaalsContact CE-CB 3.4Å; K35-E150 WeakPolarHBondContact CE-OE2 3.37Å; K35-E150 IonicContact NZ-OE2 3.43Å; K35-E150 PolarHBondContact NZ-OE2 3.35Å |
| 151 | P | 79.7 | Confident | 71.3 | Confident | 64 Ų | 64 | 62.6 Ų | 62.6 | 42% | 0.416 | 37% | 0.373 | S | S | . | . | P | Polyproline II helix | trans | -48.8 | 134.3 | 164.4 | 19.8 | -34.5 | 0 | 0 | 0 | 110.3 | T74 | T74-P151 HydrophobicContact CG2-CB 3.95Å; T74-P151 HydrophobicContact CG2-CG 4.27Å |
| 152 | P | 87 | Confident | 73.5 | Confident | 26 Ų | 26 | 64.6 Ų | 64.6 | 17% | 0.169 | 37% | 0.374 | C | S | . | . | P | Polyproline II helix | trans | -63.6 | 151.8 | -179.2 | 26.4 | -34.1 | 0 | 0 | 0 | 111 | T30 V31 L43 G73 | T30-P152 HydrophobicContact CG2-CB 3.71Å; T30-P152 HydrophobicContact CG2-CG 4.29Å; V31-P152 CarbonylContact O-C 3.56Å; V31-P152 WeakPolarHBondContact O-CA 3.41Å; V31-P152 VanDerWaalsContact O-CB 3.3Å; V31-P152 WeakPolarHBondContact O-CB 3.34Å; L43-P152 HydrophobicContact CD1-CB 3.75Å; L43-P152 HydrophobicContact CD1-CG 4.17Å; G73-P152 WeakPolarHBondContact CA-O 3.4Å; G73-P152 PolarHBondContact N-O 2.81Å |
| 153 | V | 89 | Confident | 75.2 | Confident | 42 Ų | 42 | 59.2 Ų | 59.2 | 26% | 0.255 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 131.7 | 178.6 | 177.4 | 0 | 0 | 0 | 0 | 108.8 | T30 V31 | T30-V153 WeakPolarHBondContact CA-O 3.29Å; V31-V153 HydrophobicContact CG2-CB 4.31Å; V31-V153 PolarHBondContact N-O 2.86Å; V31-V153 PolarHBondContact O-N 2.77Å |
| 154 | T | 90.3 | Very high | 76.8 | Confident | 22 Ų | 22 | 58.9 Ų | 58.9 | 14% | 0.135 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 124 | 176.3 | -57.3 | 0 | 0 | 0 | 0 | 110.3 | E28 I29 T30 V71 I156 | E28-T154 HydrophobicContact CB-CG2 4.46Å; I29-T154 CarbonylContact O-C 3.43Å; I29-T154 WeakPolarHBondContact O-CA 3.26Å; T30-T154 PolarHBondContact OG1-OG1 3.08Å; V71-T154 PolarHBondContact N-O 2.79Å; V71-T154 PolarHBondContact O-N 2.83Å; T154-I156 HydrophobicContact CG2-CG1 4.36Å |
| 155 | M | 91.1 | Very high | 78.5 | Confident | 61 Ų | 61 | 59.8 Ų | 59.8 | 30% | 0.3 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 122.6 | 175.6 | -62.6 | -175.9 | 71.8 | 0 | 0 | 109.9 | I29 V68 H69 F157 | I29-M155 PolarHBondContact N-O 2.78Å; I29-M155 PolarHBondContact O-N 2.77Å; V68-M155 HydrophobicContact CG1-CB 4.42Å; V68-M155 HydrophobicContact CG1-CE 3.71Å; H69-M155 CarbonylContact O-C 3.56Å; H69-M155 WeakPolarHBondContact O-CA 3.38Å; M155-F157 HydrophobicContact CB-CD2 4.35Å; M155-F157 HydrophobicContact CB-CE2 3.63Å; M155-F157 HydrophobicContact CB-CZ 4.25Å; M155-F157 HydrophobicContact CE-CE2 4.42Å; M155-F157 HydrophobicContact CE-CZ 3.89Å; M155-F157 HydrophobicContact SD-CZ 4.49Å |
| 156 | I | 90 | Very high | 79.8 | Confident | 6 Ų | 6 | 61.2 Ų | 61.2 | 3% | 0.031 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 107.6 | -179.5 | -49.8 | -179.1 | 0 | 0 | 0 | 108.9 | V27 E28 L54 P55 V68 H69 V71 T154 M158 | V27-I156 CarbonylContact O-C 3.5Å; V27-I156 WeakPolarHBondContact O-CA 3.36Å; E28-I156 HydrophobicContact CG-CG1 4.18Å; E28-I156 HydrophobicContact CG-CG2 4.28Å; L54-I156 HydrophobicContact CD2-CG2 4.14Å; P55-I156 HydrophobicContact CG-CD1 4.29Å; V68-I156 CarbonylContact C-O 3.54Å; V68-I156 WeakPolarHBondContact CA-O 3.39Å; H69-I156 HydrophobicContact CB-CB 4.38Å; H69-I156 PolarHBondContact N-O 2.88Å; H69-I156 PolarHBondContact O-N 2.66Å; V71-I156 HydrophobicContact CG2-CD1 3.87Å; V71-I156 HydrophobicContact CG2-CG1 4.37Å; T154-I156 HydrophobicContact CG2-CG1 4.36Å; I156-M158 HydrophobicContact CG2-CG 4.37Å |
| 157 | F | 91.3 | Very high | 81 | Confident | 63 Ų | 63 | 58.4 Ų | 58.4 | 28% | 0.276 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 119.2 | 176.5 | -62.2 | -101.3 | 0 | 0 | 0 | 109.6 | S26 V27 I29 V67 V68 M155 | S26-F157 CarbonylContact C-O 3.59Å; S26-F157 WeakPolarHBondContact CA-O 3.46Å; V27-F157 HydrophobicContact CB-CB 4.27Å; V27-F157 PolarHBondContact N-O 3.01Å; V27-F157 PolarHBondContact O-N 2.88Å; I29-F157 HydrophobicContact CB-CE2 4.42Å; I29-F157 HydrophobicContact CD1-CD2 3.96Å; I29-F157 HydrophobicContact CD1-CE2 3.64Å; I29-F157 HydrophobicContact CD1-CZ 4.49Å; I29-F157 HydrophobicContact CG1-CD2 4.19Å; I29-F157 HydrophobicContact CG1-CE2 4.09Å; V67-F157 CarbonylContact O-C 3.51Å; V67-F157 WeakPolarHBondContact O-CA 3.39Å; V68-F157 HydrophobicContact CB-CD1 4.3Å; V68-F157 HydrophobicContact CB-CE1 4.34Å; V68-F157 HydrophobicContact CG1-CD1 4.03Å; V68-F157 HydrophobicContact CG1-CD2 4.47Å; V68-F157 HydrophobicContact CG1-CE1 3.82Å; V68-F157 HydrophobicContact CG1-CE2 4.28Å; V68-F157 HydrophobicContact CG1-CG 4.34Å; V68-F157 HydrophobicContact CG1-CZ 3.95Å; V68-F157 HydrophobicContact CG2-CD1 3.35Å; V68-F157 HydrophobicContact CG2-CE1 3.51Å; V68-F157 HydrophobicContact CG2-CG 4.19Å; V68-F157 HydrophobicContact CG2-CZ 4.45Å; M155-F157 HydrophobicContact CB-CD2 4.35Å; M155-F157 HydrophobicContact CB-CE2 3.63Å; M155-F157 HydrophobicContact CB-CZ 4.25Å; M155-F157 HydrophobicContact CE-CE2 4.42Å; M155-F157 HydrophobicContact CE-CZ 3.89Å; M155-F157 HydrophobicContact SD-CZ 4.49Å |
| 158 | M | 90 | Very high | 82.4 | Confident | 12 Ų | 12 | 55.3 Ų | 55.3 | 6% | 0.059 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 122.1 | 177 | -63.5 | 179.9 | 65.1 | 0 | 0 | 109.7 | A23 L54 K66 V67 I156 Y160 | A23-M158 HydrophobicContact CB-CE 3.54Å; L54-M158 HydrophobicContact CB-SD 4.36Å; L54-M158 HydrophobicContact CD1-CE 3.48Å; L54-M158 VanDerWaalsContact CD1-CE 3.48Å; L54-M158 HydrophobicContact CD1-SD 4.21Å; L54-M158 HydrophobicContact CD2-CE 4.01Å; L54-M158 HydrophobicContact CD2-CG 4.03Å; L54-M158 HydrophobicContact CD2-SD 3.77Å; L54-M158 HydrophobicContact CG-CE 4.22Å; L54-M158 HydrophobicContact CG-SD 4.32Å; K66-M158 CarbonylContact C-O 3.55Å; K66-M158 WeakPolarHBondContact CA-O 3.25Å; V67-M158 PolarHBondContact N-O 3.34Å; V67-M158 PolarHBondContact O-N 3.1Å; I156-M158 HydrophobicContact CG2-CG 4.37Å; M158-Y160 HydrophobicContact CB-CD2 4.44Å; M158-Y160 HydrophobicContact CB-CE2 3.64Å; M158-Y160 HydrophobicContact CE-CE1 4.32Å; M158-Y160 VanDerWaalsContact CE-OH 3.24Å; M158-Y160 WeakPolarHBondContact CE-OH 3Å; M158-Y160 WeakPolarHBondContact O-CD2 3.35Å; M158-Y160 PolarHBondContact SD-OH 2.88Å |
| 159 | G | 87.7 | Confident | 83.3 | Confident | 4 Ų | 4 | 55 Ų | 55 | 4% | 0.041 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 129.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111 | A23 M24 Y25 T65 | A23-G159 CarbonylContact C-O 3.53Å; A23-G159 VanDerWaalsContact CA-O 3.29Å; A23-G159 WeakPolarHBondContact CA-O 3.46Å; M24-G159 PolarHBondContact N-O 2.78Å; Y25-G159 PolarHBondContact O-N 3Å; Y25-G159 VanDerWaalsContact O-N 3.08Å; T65-G159 CarbonylContact O-C 3.58Å; T65-G159 WeakPolarHBondContact O-CA 3.47Å |
| 160 | Y | 87.7 | Confident | 84 | Confident | 53 Ų | 53 | 57 Ų | 57 | 21% | 0.208 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 146.3 | -177.7 | -66.9 | -92 | 0 | 0 | 0 | 112.8 | K21 A22 A23 T65 V67 M158 | K21-Y160 HydrophobicContact CB-CD1 3.73Å; K21-Y160 HydrophobicContact CB-CE1 4.47Å; K21-Y160 HydrophobicContact CB-CG 4.28Å; K21-Y160 HydrophobicContact CD-CG 4.48Å; A22-Y160 CarbonylContact O-C 3.6Å; A22-Y160 VanDerWaalsContact O-CA 3.24Å; A22-Y160 WeakPolarHBondContact O-CA 3.35Å; A23-Y160 HydrophobicContact CB-CD1 4.17Å; A23-Y160 HydrophobicContact CB-CE1 3.98Å; T65-Y160 PolarHBondContact O-N 2.93Å; V67-Y160 HydrophobicContact CB-CE2 3.63Å; V67-Y160 HydrophobicContact CG2-CD2 3.98Å; V67-Y160 HydrophobicContact CG2-CE2 3.28Å; M158-Y160 HydrophobicContact CB-CD2 4.44Å; M158-Y160 HydrophobicContact CB-CE2 3.64Å; M158-Y160 HydrophobicContact CE-CE1 4.32Å; M158-Y160 VanDerWaalsContact CE-OH 3.24Å; M158-Y160 WeakPolarHBondContact CE-OH 3Å; M158-Y160 WeakPolarHBondContact O-CD2 3.35Å; M158-Y160 PolarHBondContact SD-OH 2.88Å |
| 161 | Q | 85.6 | Confident | 84.3 | Confident | 100 Ų | 100 | 60.5 Ų | 60.5 | 47% | 0.467 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 141.9 | 169.1 | -177.2 | 155.4 | 70.7 | 0 | 0 | 109.9 | A22 M24 | A22-Q161 PolarHBondContact N-O 2.77Å; A22-Q161 PolarHBondContact O-N 2.84Å; M24-Q161 HydrophobicContact CG-CB 3.79Å; M24-Q161 HydrophobicContact SD-CB 4.31Å |
| 162 | N | 85.8 | Confident | 83.9 | Confident | 83 Ų | 83 | 60 Ų | 60 | 44% | 0.444 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 130.7 | 171.9 | -66.6 | 87.9 | 0 | 0 | 0 | 109.7 | M19 M20 | M19-N162 HydrophobicContact CB-CB 4.32Å; M19-N162 HydrophobicContact SD-CB 4.12Å; M20-N162 WeakPolarHBondContact O-CA 3.33Å |
| 163 | V | 83.3 | Confident | 83.2 | Confident | 2 Ų | 2 | 60.4 Ų | 60.4 | 1% | 0.012 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 147.8 | 179.2 | -65.7 | 0 | 0 | 0 | 0 | 109 | M19 M20 A22 T169 | M19-V163 CarbonylContact C-O 3.45Å; M19-V163 VanDerWaalsContact CA-O 3.29Å; M19-V163 WeakPolarHBondContact CA-O 3.41Å; M20-V163 HydrophobicContact CB-CG2 4.04Å; M20-V163 PolarHBondContact N-O 3.49Å; M20-V163 WeakPolarHBondContact O-CG2 3.36Å; M20-V163 PolarHBondContact O-N 3.21Å; A22-V163 HydrophobicContact CB-CG1 4.1Å; A22-V163 HydrophobicContact CB-CG2 3.86Å; V163-T169 WeakPolarHBondContact CG2-OG1 3.5Å |
| 164 | E | 83.4 | Confident | 82.2 | Confident | 137 Ų | 137 | 60.2 Ų | 60.2 | 64% | 0.64 | 31% | 0.309 | S | S | * | . | S | Bend | trans | -72.3 | -35.9 | -177.3 | -63.1 | -176.9 | 114.4 | 0 | 0 | 111 | M19 E168 | M19-E164 HydrophobicContact CE-CG 4.47Å; E164-E168 WeakPolarHBondContact CB-OE2 3.14Å; E164-E168 PolarHBondContact N-OE2 3.46Å |
| 165 | D | 82.2 | Confident | 81 | Confident | 73 Ų | 73 | 64.3 Ų | 64.3 | 39% | 0.39 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -152.5 | 169.7 | -179.5 | 69.1 | -106.7 | 0 | 0 | 0 | 114.9 | A167 E168 T169 | D165-A167 VanDerWaalsContact C-N 3.29Å; D165-A167 PolarHBondContact O-N 2.89Å; D165-A167 WeakPolarHBondContact OD2-CA 3.38Å; D165-A167 WeakPolarHBondContact OD2-CB 3.24Å; D165-A167 PolarHBondContact OD2-N 3.38Å; D165-E168 PolarHBondContact O-N 3.28Å; D165-E168 PolarHBondContact OD2-N 3.17Å; D165-T169 PolarHBondContact O-N 3.27Å; D165-T169 PolarHBondContact O-OG1 3.06Å |
| 166 | E | 78.7 | Confident | 79.6 | Confident | 125 Ų | 125 | 67.2 Ų | 67.2 | 58% | 0.584 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -66.6 | -25.8 | 179.8 | -65.1 | -170.8 | 142.7 | 0 | 0 | 113.5 | M20 T169 K170 | M20-E166 HydrophobicContact CE-CG 4.24Å; M20-E166 HydrophobicContact SD-CG 3.69Å; E166-T169 WeakPolarHBondContact O-CB 3.44Å; E166-K170 WeakPolarHBondContact O-CG 3.46Å; E166-K170 PolarHBondContact O-N 2.74Å; E166-K170 VanDerWaalsContact O-N 3.09Å |
| 167 | A | 78.9 | Confident | 78 | Confident | 54 Ų | 54 | 72.4 Ų | 72.4 | 45% | 0.446 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -75.8 | -38.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | D165 T169 K170 K171 | D165-A167 VanDerWaalsContact C-N 3.29Å; D165-A167 PolarHBondContact O-N 2.89Å; D165-A167 WeakPolarHBondContact OD2-CA 3.38Å; D165-A167 WeakPolarHBondContact OD2-CB 3.24Å; D165-A167 PolarHBondContact OD2-N 3.38Å; A167-T169 VanDerWaalsContact C-N 3.31Å; A167-K170 PolarHBondContact O-N 3.4Å; A167-K171 WeakPolarHBondContact O-CB 3.14Å; A167-K171 PolarHBondContact O-N 3.02Å |
| 168 | E | 78.3 | Confident | 76.1 | Confident | 63 Ų | 63 | 74.8 Ų | 74.8 | 29% | 0.294 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -59.4 | -44.3 | 169.1 | -166.1 | -168.2 | 178.4 | 0 | 0 | 110.5 | E164 D165 K170 K171 V172 | E164-E168 WeakPolarHBondContact CB-OE2 3.14Å; E164-E168 PolarHBondContact N-OE2 3.46Å; D165-E168 PolarHBondContact O-N 3.28Å; D165-E168 PolarHBondContact OD2-N 3.17Å; E168-K170 PolarHBondContact O-N 3.37Å; E168-K171 WeakPolarHBondContact O-CB 3.35Å; E168-K171 PolarHBondContact O-N 2.82Å; E168-K171 VanDerWaalsContact O-N 3.17Å; E168-V172 HydrophobicContact CG-CG2 4.22Å; E168-V172 WeakPolarHBondContact O-CB 3.22Å; E168-V172 VanDerWaalsContact O-CG2 3.24Å; E168-V172 WeakPolarHBondContact O-CG2 3.36Å; E168-V172 PolarHBondContact O-N 2.9Å |
| 169 | T | 76.8 | Confident | 74.7 | Confident | 24 Ų | 24 | 81.6 Ų | 81.6 | 15% | 0.147 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -53.7 | -50.4 | 173.7 | -52.9 | 0 | 0 | 0 | 0 | 112 | A22 V163 D165 E166 A167 K171 V172 L173 | A22-T169 HydrophobicContact CB-CG2 3.37Å; V163-T169 WeakPolarHBondContact CG2-OG1 3.5Å; D165-T169 PolarHBondContact O-N 3.27Å; D165-T169 PolarHBondContact O-OG1 3.06Å; E166-T169 WeakPolarHBondContact O-CB 3.44Å; A167-T169 VanDerWaalsContact C-N 3.31Å; T169-K171 VanDerWaalsContact C-N 3.29Å; T169-K171 PolarHBondContact O-N 3.4Å; T169-V172 PolarHBondContact O-N 3.39Å; T169-L173 HydrophobicContact CG2-CD1 3.83Å; T169-L173 HydrophobicContact CG2-CG 4.34Å; T169-L173 WeakPolarHBondContact O-CB 3.3Å; T169-L173 VanDerWaalsContact O-CG 3.3Å; T169-L173 WeakPolarHBondContact O-CG 3.47Å; T169-L173 PolarHBondContact O-N 2.74Å |
| 170 | K | 77 | Confident | 73.2 | Confident | 107 Ų | 107 | 87.4 Ų | 87.4 | 47% | 0.465 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -64.8 | -34.7 | -179 | -73.2 | 170.5 | -173.6 | 171.3 | 0 | 112.4 | E166 A167 E168 G174 L175 Q176 | E166-K170 WeakPolarHBondContact O-CG 3.46Å; E166-K170 PolarHBondContact O-N 2.74Å; E166-K170 VanDerWaalsContact O-N 3.09Å; A167-K170 PolarHBondContact O-N 3.4Å; E168-K170 PolarHBondContact O-N 3.37Å; K170-G174 PolarHBondContact O-N 3.36Å; K170-L175 PolarHBondContact O-N 3.12Å; K170-Q176 HydrophobicContact CB-CG 4.28Å |
| 171 | K | 76.6 | Confident | 71.8 | Confident | 149 Ų | 149 | 89.4 Ų | 89.4 | 65% | 0.648 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -67.3 | -46.9 | 174.3 | -176.4 | -174.8 | 176.2 | -172.3 | 0 | 111 | A167 E168 T169 L173 G174 | A167-K171 WeakPolarHBondContact O-CB 3.14Å; A167-K171 PolarHBondContact O-N 3.02Å; E168-K171 WeakPolarHBondContact O-CB 3.35Å; E168-K171 PolarHBondContact O-N 2.82Å; E168-K171 VanDerWaalsContact O-N 3.17Å; T169-K171 VanDerWaalsContact C-N 3.29Å; T169-K171 PolarHBondContact O-N 3.4Å; K171-L173 VanDerWaalsContact C-N 3.34Å; K171-L173 PolarHBondContact O-N 3.09Å; K171-G174 PolarHBondContact O-N 3.27Å |
| 172 | V | 71.4 | Confident | 70.8 | Confident | 54 Ų | 54 | 92.9 Ų | 92.9 | 33% | 0.327 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.9 | -38.1 | 179.9 | 166.6 | 0 | 0 | 0 | 0 | 111.8 | M24 E168 T169 G174 | M24-V172 HydrophobicContact CE-CG1 3.31Å; M24-V172 HydrophobicContact SD-CG1 3.35Å; M24-V172 WeakPolarHBondContact SD-CG1 3.38Å; E168-V172 HydrophobicContact CG-CG2 4.22Å; E168-V172 WeakPolarHBondContact O-CB 3.22Å; E168-V172 VanDerWaalsContact O-CG2 3.24Å; E168-V172 WeakPolarHBondContact O-CG2 3.36Å; E168-V172 PolarHBondContact O-N 2.9Å; T169-V172 PolarHBondContact O-N 3.39Å; V172-G174 PolarHBondContact O-N 2.87Å |
| 173 | L | 72.1 | Confident | 70.1 | Confident | 34 Ų | 34 | 96 Ų | 96 | 18% | 0.178 | 52% | 0.519 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | 0.5 | 175.3 | -62.6 | 178.8 | 0 | 0 | 0 | 113.7 | A23 M24 P50 T169 K171 L175 | A23-L173 WeakPolarHBondContact O-CD2 3.11Å; M24-L173 HydrophobicContact CE-CD2 4.13Å; M24-L173 HydrophobicContact SD-CD2 3.71Å; P50-L173 HydrophobicContact CG-CD1 4.39Å; P50-L173 HydrophobicContact CG-CD2 4.04Å; T169-L173 HydrophobicContact CG2-CD1 3.83Å; T169-L173 HydrophobicContact CG2-CG 4.34Å; T169-L173 WeakPolarHBondContact O-CB 3.3Å; T169-L173 VanDerWaalsContact O-CG 3.3Å; T169-L173 WeakPolarHBondContact O-CG 3.47Å; T169-L173 PolarHBondContact O-N 2.74Å; K171-L173 VanDerWaalsContact C-N 3.34Å; K171-L173 PolarHBondContact O-N 3.09Å; L173-L175 HydrophobicContact CB-CD1 3.79Å; L173-L175 HydrophobicContact CB-CG 3.75Å; L173-L175 HydrophobicContact CD1-CD1 3.87Å; L173-L175 HydrophobicContact CG-CD1 4.5Å; L173-L175 PolarHBondContact O-N 2.98Å; L173-L175 VanDerWaalsContact O-N 3.12Å |
| 174 | G | 68.5 | Low | 69.6 | Low | 38 Ų | 38 | 101.1 Ų | 101.1 | 39% | 0.392 | 55% | 0.55 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 61.7 | 17.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | K170 K171 V172 Q176 D177 | K170-G174 PolarHBondContact O-N 3.36Å; K171-G174 PolarHBondContact O-N 3.27Å; V172-G174 PolarHBondContact O-N 2.87Å; G174-Q176 PolarHBondContact O-N 2.95Å; G174-D177 PolarHBondContact O-N 3.35Å |
| 175 | L | 65.5 | Low | 69 | Low | 109 Ų | 109 | 99.4 Ų | 99.4 | 57% | 0.571 | 55% | 0.549 | S | S | * | . | trans | -74.1 | -16.4 | -176.3 | -67.2 | 170.9 | 0 | 0 | 0 | 112.5 | K170 L173 | K170-L175 PolarHBondContact O-N 3.12Å; L173-L175 HydrophobicContact CB-CD1 3.79Å; L173-L175 HydrophobicContact CB-CG 3.75Å; L173-L175 HydrophobicContact CD1-CD1 3.87Å; L173-L175 HydrophobicContact CG-CD1 4.5Å; L173-L175 PolarHBondContact O-N 2.98Å; L173-L175 VanDerWaalsContact O-N 3.12Å | ||
| 176 | Q | 60.7 | Low | 68.5 | Low | 121 Ų | 121 | 103.1 Ų | 103.1 | 57% | 0.565 | 57% | 0.568 | S | S | * | * | S | Bend | trans | -88.5 | -25.5 | 175.4 | -86.3 | -172.7 | 95.4 | 0 | 0 | 113.8 | K170 G174 | K170-Q176 HydrophobicContact CB-CG 4.28Å; G174-Q176 PolarHBondContact O-N 2.95Å |
| 177 | D | 56.2 | Low | 67.1 | Low | 116 Ų | 116 | 105.4 Ų | 105.4 | 62% | 0.62 | 58% | 0.578 | S | S | * | * | trans | -106.7 | 70.7 | -177.4 | -63.4 | -57.5 | 0 | 0 | 0 | 109.3 | G174 I179 | G174-D177 PolarHBondContact O-N 3.35Å; D177-I179 PolarHBondContact O-N 3.07Å | ||
| 178 | T | 52.1 | Low | 66 | Low | 112 Ų | 112 | 110.5 Ų | 110.5 | 69% | 0.687 | 60% | 0.598 | S | S | * | * | trans | -64.9 | 87.1 | 170.2 | 54.3 | 0 | 0 | 0 | 0 | 108.7 | T180 | T178-T180 PolarHBondContact O-N 2.97Š| ||
| 179 | I | 59.5 | Low | 64.7 | Low | 156 Ų | 156 | 111.8 Ų | 111.8 | 80% | 0.8 | 62% | 0.62 | S | S | * | * | trans | -63.1 | 93.3 | 167 | -60.9 | 169 | 0 | 0 | 0 | 106.1 | D177 A181 | D177-I179 PolarHBondContact O-N 3.07Å; I179-A181 PolarHBondContact O-N 3.44Å; I179-A181 VanDerWaalsContact O-N 3.09Å | ||
| 180 | T | 57.2 | Low | 63.7 | Low | 125 Ų | 125 | 115 Ų | 115 | 77% | 0.767 | 65% | 0.648 | S | S | * | * | trans | -72.9 | 95.4 | 172.7 | 42.4 | 0 | 0 | 0 | 0 | 108 | T178 E182 | T178-T180 PolarHBondContact O-N 2.97Å; T180-E182 PolarHBondContact O-N 3.37Å | ||
| 181 | A | 57.8 | Low | 62.6 | Low | 95 Ų | 95 | 118.6 Ų | 118.6 | 79% | 0.785 | 67% | 0.667 | S | S | * | * | trans | -79.2 | 105.1 | 166.5 | 0 | 0 | 0 | 0 | 0 | 108.4 | I179 | I179-A181 PolarHBondContact O-N 3.44Å; I179-A181 VanDerWaalsContact O-N 3.09Å | ||
| 182 | E | 65.1 | Low | 61.1 | Low | 173 Ų | 173 | 117.3 Ų | 117.3 | 81% | 0.808 | 67% | 0.674 | S | S | * | * | trans | -76.1 | 126.5 | 166.1 | -171.3 | -178.5 | 159.8 | 0 | 0 | 108.5 | T180 V184 | T180-E182 PolarHBondContact O-N 3.37Å; E182-V184 PolarHBondContact O-N 2.78Å; E182-V184 VanDerWaalsContact O-N 3.08Å | ||
| 183 | L | 70.5 | Confident | 59.5 | Low | 148 Ų | 148 | 123.9 Ų | 123.9 | 78% | 0.775 | 70% | 0.698 | S | S | * | * | trans | -74.7 | 97 | 175.7 | -178.9 | 70.4 | 0 | 0 | 0 | 109 | V185 | L183-V185 HydrophobicContact CD2-CG2 4.2Å; L183-V185 HydrophobicContact CG-CG2 4.2Å; L183-V185 PolarHBondContact O-N 2.83Å | ||
| 184 | V | 73.4 | Confident | 58.4 | Low | 110 Ų | 110 | 130.2 Ų | 130.2 | 67% | 0.667 | 73% | 0.727 | S | S | * | * | trans | -77.3 | 102.6 | 168.1 | -175.5 | 0 | 0 | 0 | 0 | 108.1 | E182 I186 | E182-V184 PolarHBondContact O-N 2.78Å; E182-V184 VanDerWaalsContact O-N 3.08Å; V184-I186 HydrophobicContact CG1-CG1 4.37Å; V184-I186 PolarHBondContact O-N 3.09Å | ||
| 185 | V | 71.6 | Confident | 57.1 | Low | 102 Ų | 102 | 134.2 Ų | 134.2 | 62% | 0.618 | 75% | 0.746 | S | S | * | * | trans | -73.5 | 104 | 168.7 | 179.8 | 0 | 0 | 0 | 0 | 107.3 | L183 E187 | L183-V185 HydrophobicContact CD2-CG2 4.2Å; L183-V185 HydrophobicContact CG-CG2 4.2Å; L183-V185 PolarHBondContact O-N 2.83Å; V185-E187 HydrophobicContact CG1-CG 4.3Å; V185-E187 PolarHBondContact O-N 3.08Å | ||
| 186 | I | 70.1 | Confident | 56.1 | Low | 151 Ų | 151 | 132.2 Ų | 132.2 | 77% | 0.774 | 75% | 0.745 | S | S | * | * | trans | -76.9 | 102.8 | 166.6 | -55.8 | 174.4 | 0 | 0 | 0 | 106 | V184 D188 | V184-I186 HydrophobicContact CG1-CG1 4.37Å; V184-I186 PolarHBondContact O-N 3.09Å; I186-D188 PolarHBondContact O-N 3.36Å | ||
| 187 | E | 50.9 | Low | 55.7 | Low | 173 Ų | 173 | 132.4 Ų | 132.4 | 81% | 0.808 | 76% | 0.756 | S | S | * | * | trans | -67.6 | 109 | 168 | -71.3 | -176.5 | 153.5 | 0 | 0 | 108.4 | V185 A189 | V185-E187 HydrophobicContact CG1-CG 4.3Å; V185-E187 PolarHBondContact O-N 3.08Å; E187-A189 VanDerWaalsContact C-N 3.31Å; E187-A189 PolarHBondContact O-N 3.23Å | ||
| 188 | D | 55.5 | Low | 55.2 | Low | 160 Ų | 160 | 132.3 Ų | 132.3 | 86% | 0.856 | 76% | 0.762 | S | S | * | * | trans | -67.4 | 91 | 167.6 | -173 | 63.5 | 0 | 0 | 0 | 108.3 | I186 A190 | I186-D188 PolarHBondContact O-N 3.36Å; D188-A190 PolarHBondContact O-N 3.23Å | ||
| 189 | A | 49.5 | Very low | 54.3 | Low | 91 Ų | 91 | 134.9 Ų | 134.9 | 75% | 0.752 | 77% | 0.772 | S | S | * | * | trans | -79.5 | 107.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | E187 | E187-A189 VanDerWaalsContact C-N 3.31Å; E187-A189 PolarHBondContact O-N 3.23Å | ||
| 190 | A | 55.6 | Low | 53.2 | Low | 91 Ų | 91 | 130.9 Ų | 130.9 | 75% | 0.752 | 77% | 0.769 | S | S | * | * | trans | -49.2 | 143.8 | 168.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | D188 | D188-A190 PolarHBondContact O-N 3.23Š| ||
| 191 | E | 54.6 | Low | 52.2 | Low | 182 Ų | 182 | 131 Ų | 131 | 85% | 0.85 | 78% | 0.775 | S | S | * | * | trans | -42.9 | 159.8 | -173.4 | -50.7 | -177.6 | 97.2 | 0 | 0 | 117 | ||||
| 192 | P | 44.3 | Very low | 51.7 | Low | 122 Ų | 122 | 131.3 Ų | 131.3 | 79% | 0.792 | 78% | 0.777 | S | S | * | * | -148.2 | 154.3 | 96.2 | 35.2 | -17.3 | 0 | 0 | 0 | 117.3 | |||||
| 193 | K | 38.1 | Very low | 50.4 | Low | 193 Ų | 193 | 127.8 Ų | 127.8 | 84% | 0.839 | 78% | 0.778 | S | S | * | * | trans | 83.8 | 92.4 | 153.7 | -88 | 179.9 | 173.8 | 172 | 0 | 119.8 | ||||
| 194 | E | 49.9 | Very low | 48.8 | Very low | 167 Ų | 167 | 129.6 Ų | 129.6 | 78% | 0.78 | 78% | 0.782 | S | S | * | * | trans | -47.1 | 138.5 | 140 | -141.5 | -173.8 | 125.6 | 0 | 0 | 111.8 | ||||
| 195 | P | 41.3 | Very low | 48.3 | Very low | 122 Ų | 122 | 129.6 Ų | 129.6 | 79% | 0.792 | 78% | 0.784 | S | S | * | * | -125.5 | 136.3 | 117.5 | 33.1 | -26.1 | 0 | 0 | 0 | 112 | |||||
| 196 | A | 44.2 | Very low | 47.1 | Very low | 67 Ų | 67 | 130.7 Ų | 130.7 | 55% | 0.554 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -52.5 | 153.6 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 197 | P | 51.5 | Low | 45.7 | Very low | 124 Ų | 124 | 129.4 Ų | 129.4 | 81% | 0.805 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -85.3 | 136.2 | 176.7 | 33.3 | -31.2 | 0 | 0 | 0 | 111.8 | ||
| 198 | P | 46.6 | Very low | 45.1 | Very low | 115 Ų | 115 | 130.2 Ų | 130.2 | 75% | 0.747 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -100.5 | 119.1 | 162.5 | 32.3 | -24.9 | 0 | 0 | 0 | 111.1 | ||
| 199 | N | 34 | Very low | 44.3 | Very low | 166 Ų | 166 | 126.4 Ų | 126.4 | 89% | 0.888 | 79% | 0.788 | S | S | * | * | trans | 55.1 | 121.7 | 155 | -70 | -20.6 | 0 | 0 | 0 | 117.7 | ||||
| 200 | G | 35.2 | Very low | 43.7 | Very low | 71 Ų | 71 | 126.6 Ų | 126.6 | 73% | 0.732 | 79% | 0.789 | S | S | * | * | cis | 114.9 | 112.3 | 33.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 201 | S | 36.3 | Very low | 43.1 | Very low | 129 Ų | 129 | 127.9 Ų | 127.9 | 90% | 0.902 | 79% | 0.793 | S | S | * | * | trans | 173.4 | 129.8 | 134.3 | -110.1 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 202 | A | 47.4 | Very low | 42.4 | Very low | 100 Ų | 100 | 129.2 Ų | 129.2 | 83% | 0.826 | 79% | 0.79 | S | S | * | * | trans | -64.9 | 143.5 | 162.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 203 | A | 37.2 | Very low | 42.2 | Very low | 99 Ų | 99 | 130.4 Ų | 130.4 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | trans | -164.1 | 122.6 | 146.2 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 204 | E | 38.2 | Very low | 42.1 | Very low | 187 Ų | 187 | 130.5 Ų | 130.5 | 87% | 0.874 | 79% | 0.788 | S | S | * | * | trans | -73.9 | -167.1 | 166.1 | -56.3 | 175.4 | 81.2 | 0 | 0 | 111 | ||||
| 205 | P | 62.6 | Low | 41.5 | Very low | 109 Ų | 109 | 128.6 Ų | 128.6 | 71% | 0.708 | 78% | 0.784 | S | S | * | * | -93.8 | -170.8 | -120.5 | 32.5 | -9.4 | 0 | 0 | 0 | 113 | |||||
| 206 | P | 46.9 | Very low | 41.5 | Very low | 125 Ų | 125 | 131.5 Ų | 131.5 | 81% | 0.812 | 79% | 0.787 | S | S | * | * | -148.4 | 156.6 | 99.1 | 36.3 | -18.4 | 0 | 0 | 0 | 116.8 | |||||
| 207 | T | 40.6 | Very low | 40.8 | Very low | 124 Ų | 124 | 132.8 Ų | 132.8 | 76% | 0.761 | 80% | 0.797 | S | S | * | * | trans | -62.6 | 144.1 | 154.7 | -35.7 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 208 | E | 37.4 | Very low | 39.9 | Very low | 190 Ų | 190 | 130.4 Ų | 130.4 | 89% | 0.888 | 80% | 0.795 | S | S | * | * | trans | 151.3 | 148.4 | 148.8 | -91.3 | -174.8 | 130.7 | 0 | 0 | 108.2 | ||||
| 209 | A | 40.1 | Very low | 40.1 | Very low | 81 Ų | 81 | 130.6 Ų | 130.6 | 67% | 0.669 | 80% | 0.796 | S | S | * | * | cis | -172.9 | 148.6 | -20.9 | 0 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 210 | A | 36.4 | Very low | 40.1 | Very low | 95 Ų | 95 | 131.5 Ų | 131.5 | 79% | 0.785 | 80% | 0.795 | S | S | * | * | trans | 57.4 | 114.7 | 144.3 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 211 | S | 42.9 | Very low | 40.2 | Very low | 118 Ų | 118 | 131.9 Ų | 131.9 | 83% | 0.825 | 79% | 0.791 | S | S | * | * | -160.3 | 102.6 | 113.3 | 19.4 | 0 | 0 | 0 | 0 | 107.1 | |||||
| 212 | R | 40.3 | Very low | 40 | Very low | 210 Ų | 210 | 131.8 Ų | 131.8 | 79% | 0.792 | 79% | 0.785 | S | S | * | * | 64.7 | 93 | 80.9 | -165.7 | 170.7 | -172.7 | -144.9 | -4.2 | 110.6 | |||||
| 213 | E | 38.5 | Very low | 39.6 | Very low | 146 Ų | 146 | 133.6 Ų | 133.6 | 68% | 0.682 | 79% | 0.786 | S | S | * | * | 83.8 | 111.7 | 90.6 | -171.7 | -179.6 | 78.7 | 0 | 0 | 111.6 | |||||
| 214 | E | 36.5 | Very low | 39.7 | Very low | 196 Ų | 196 | 134.5 Ų | 134.5 | 92% | 0.916 | 79% | 0.787 | S | S | * | * | -148 | 142 | 124 | -163.9 | 162.6 | 82.7 | 0 | 0 | 109.2 | |||||
| 215 | N | 37.4 | Very low | 39.8 | Very low | 127 Ų | 127 | 132.6 Ų | 132.6 | 68% | 0.679 | 78% | 0.782 | S | S | * | * | trans | -129.7 | 167.1 | -163 | -149.8 | -64.3 | 0 | 0 | 0 | 107.5 | ||||
| 216 | Q | 41 | Very low | 39.3 | Very low | 183 Ų | 183 | 132.3 Ų | 132.3 | 86% | 0.855 | 78% | 0.781 | S | S | * | * | trans | 96.5 | 143.6 | 168.5 | -59.9 | 167.8 | 87.9 | 0 | 0 | 115.7 | ||||
| 217 | A | 30.7 | Very low | 39.4 | Very low | 93 Ų | 93 | 135.6 Ų | 135.6 | 77% | 0.769 | 79% | 0.785 | S | S | * | * | cis | -170.2 | 156.5 | -12.8 | 0 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 218 | G | 31.3 | Very low | 39.6 | Very low | 74 Ų | 74 | 136.4 Ų | 136.4 | 76% | 0.763 | 79% | 0.785 | S | S | * | * | trans | -72.3 | -148.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 219 | P | 52.1 | Low | 40.2 | Very low | 120 Ų | 120 | 135.9 Ų | 135.9 | 78% | 0.779 | 79% | 0.787 | S | S | * | * | cis | -132.7 | -158.9 | -11.2 | 35.1 | -12.4 | 0 | 0 | 0 | 113 | ||||
| 220 | E | 33.5 | Very low | 40.5 | Very low | 185 Ų | 185 | 137.6 Ų | 137.6 | 86% | 0.864 | 79% | 0.785 | S | S | * | * | trans | 89.3 | 150.7 | 164 | -46.8 | -160.4 | 99 | 0 | 0 | 117.6 | ||||
| 221 | A | 37.1 | Very low | 41.3 | Very low | 78 Ų | 78 | 141.8 Ų | 141.8 | 65% | 0.645 | 79% | 0.791 | S | S | * | * | cis | -172.5 | 155.6 | -36.4 | 0 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 222 | T | 31.4 | Very low | 42.1 | Very low | 127 Ų | 127 | 144.5 Ų | 144.5 | 78% | 0.779 | 79% | 0.788 | S | S | * | * | trans | 72.8 | 112.5 | 158.6 | 9.3 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 223 | T | 38.9 | Very low | 43.2 | Very low | 138 Ų | 138 | 144.1 Ų | 144.1 | 85% | 0.847 | 79% | 0.792 | S | S | * | * | -177.5 | 124.6 | 97.7 | 33.1 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 224 | S | 40.7 | Very low | 44.1 | Very low | 118 Ų | 118 | 145.8 Ų | 145.8 | 83% | 0.825 | 80% | 0.799 | S | S | * | * | trans | -71.9 | 143.5 | 163.9 | -46.4 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 225 | D | 40.5 | Very low | 45.3 | Very low | 147 Ų | 147 | 148.1 Ų | 148.1 | 79% | 0.786 | 80% | 0.799 | S | S | * | * | 177.7 | 137.5 | 113.6 | -157 | -112.1 | 0 | 0 | 0 | 112.3 | |||||
| 226 | P | 51.7 | Low | 46.6 | Very low | 104 Ų | 104 | 147.2 Ų | 147.2 | 68% | 0.675 | 80% | 0.802 | S | S | * | * | trans | -83.8 | 141.3 | 174.7 | 32.9 | -33.9 | 0 | 0 | 0 | 113.2 | D228 | P226-D228 PolarHBondContact O-N 3.19Š| ||
| 227 | Q | 49.2 | Very low | 47.4 | Very low | 194 Ų | 194 | 148.9 Ų | 148.9 | 91% | 0.907 | 81% | 0.806 | S | S | * | * | trans | -64 | 103.3 | 178.9 | -69.4 | -178 | -14.7 | 0 | 0 | 112.8 | ||||
| 228 | D | 44.2 | Very low | 49.2 | Very low | 141 Ų | 141 | 149.2 Ų | 149.2 | 75% | 0.754 | 80% | 0.802 | S | S | * | * | 40.5 | 96.8 | 125.4 | -153 | -112.2 | 0 | 0 | 0 | 117.7 | P226 | P226-D228 PolarHBondContact O-N 3.19Š| |||
| 229 | L | 50.4 | Low | 50.7 | Low | 179 Ų | 179 | 151.8 Ų | 151.8 | 94% | 0.937 | 81% | 0.807 | S | S | * | * | trans | -93.7 | 93.6 | 159.6 | -66.8 | 173.2 | 0 | 0 | 0 | 108.8 | ||||
| 230 | D | 46.3 | Very low | 51.2 | Low | 117 Ų | 117 | 151.2 Ų | 151.2 | 63% | 0.626 | 81% | 0.806 | S | S | * | * | trans | -129.4 | 96 | 162.7 | -155.2 | -85.4 | 0 | 0 | 0 | 112 | ||||
| 231 | M | 52.2 | Low | 51.8 | Low | 183 Ų | 183 | 150 Ų | 150 | 90% | 0.901 | 80% | 0.804 | S | S | * | * | trans | -139.4 | 72.6 | 153.1 | -134.4 | 102.7 | 67 | 0 | 0 | 109.1 | K233 | M231-K233 PolarHBondContact O-N 3.19Š| ||
| 232 | K | 60.3 | Low | 52.2 | Low | 175 Ų | 175 | 158.3 Ų | 158.3 | 76% | 0.761 | 83% | 0.832 | S | S | * | * | trans | 39.6 | 81.8 | 133.1 | -135.4 | 168.5 | -169 | 165.1 | 0 | 116.5 | ||||
| 233 | K | 62.8 | Low | 53.2 | Low | 201 Ų | 201 | 159.9 Ų | 159.9 | 87% | 0.874 | 84% | 0.835 | S | S | * | * | trans | -137 | 117.2 | 151 | -104.6 | 171.8 | -175.2 | 176.7 | 0 | 110.1 | M231 R235 | M231-K233 PolarHBondContact O-N 3.19Å; K233-R235 PolarHBondContact O-N 2.96Å | ||
| 234 | H | 58.6 | Low | 54 | Low | 182 Ų | 182 | 161 Ų | 161 | 84% | 0.843 | 83% | 0.834 | S | S | * | * | trans | -49.5 | 116 | -172.2 | -67.7 | -97 | 0 | 0 | 0 | 113.3 | ||||
| 235 | R | 60.5 | Low | 54.7 | Low | 244 Ų | 244 | 163.4 Ų | 163.4 | 92% | 0.921 | 84% | 0.835 | S | S | * | * | trans | -87.1 | 113 | 169.9 | -161.3 | 170.2 | 166.5 | 174.9 | -4.4 | 108.5 | K233 | K233-R235 PolarHBondContact O-N 2.96Š| ||
| 236 | C | 65 | Low | 55.6 | Low | 109 Ų | 109 | 164.4 Ų | 164.4 | 74% | 0.736 | 84% | 0.837 | S | S | * | * | trans | -53.5 | 139.9 | -179.9 | -74.3 | 0 | 0 | 0 | 0 | 112.3 | C238 | C236-C238 PolarHBondContact O-N 3.36Š| ||
| 237 | K | 58.4 | Low | 55.8 | Low | 217 Ų | 217 | 168.1 Ų | 168.1 | 94% | 0.943 | 85% | 0.848 | S | S | * | * | S | Bend | trans | -102.6 | 55 | -169.1 | -146.9 | 169.2 | -167.5 | 177 | 0 | 110.8 | ||
| 238 | C | 67.9 | Low | 56.2 | Low | 101 Ų | 101 | 166.4 Ų | 166.4 | 68% | 0.682 | 84% | 0.844 | S | S | * | * | trans | -142.1 | 7.1 | -173.2 | 45.4 | 0 | 0 | 0 | 0 | 117.5 | C236 | C236-C238 PolarHBondContact O-N 3.36Š| ||
| 239 | C | 64 | Low | 57.1 | Low | 128 Ų | 128 | 168.2 Ų | 168.2 | 87% | 0.865 | 85% | 0.85 | S | S | * | * | trans | -111.6 | 44.8 | 179.6 | -61.3 | 0 | 0 | 0 | 0 | 114 | ||||
| 240 | S | 62.7 | Low | 57.6 | Low | 107 Ų | 107 | 167.4 Ų | 167.4 | 75% | 0.748 | 84% | 0.843 | S | S | * | * | trans | -122.9 | 106 | 160.7 | -58.1 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 241 | I | 45.7 | Very low | 58.6 | Low | 161 Ų | 161 | 171.6 Ų | 171.6 | 83% | 0.826 | 86% | 0.861 | S | S | * | * | trans | 177.4 | 136.3 | 132.7 | -84.3 | 148.2 | 0 | 0 | 0 | 108.5 | ||||
| 242 | M | 44.7 | Very low | 59.1 | Low | 251 Ų | 251 | 170.5 Ų | 170.5 | 100% | 1.236 | 86% | 0.858 | S | S | * | * | trans | -8.1 | 0 | 168 | -75.3 | 173.3 | -83.4 | 0 | 0 | 119.6 |
Retrieved 242 of 242 residues in 49.5 ms
(Link to these results)