| 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 | 35.2 | Very low | 248 Ų | 248 | 184.3 Ų | 184.3 | 100% | 1.222 | 88% | 0.877 | S | S | * | * | 0 | 99.5 | 0 | -79 | -178.2 | 159.2 | 0 | 0 | 109.1 | S3 | M1-S3 PolarHBondContact O-N 3.43Š| |||
| 2 | T | 35.9 | Very low | 35 | Very low | 138 Ų | 138 | 178.8 Ų | 178.8 | 85% | 0.847 | 87% | 0.869 | S | S | * | * | trans | -83.8 | 105.3 | -178.5 | 35.7 | 0 | 0 | 0 | 0 | 110.1 | L4 | T2-L4 PolarHBondContact O-N 3.19Š| ||
| 3 | S | 37.2 | Very low | 34.9 | Very low | 106 Ų | 106 | 172.4 Ų | 172.4 | 74% | 0.741 | 85% | 0.853 | S | S | * | * | trans | -75.9 | 100.4 | 175.9 | -175.8 | 0 | 0 | 0 | 0 | 110.1 | M1 K5 | M1-S3 PolarHBondContact O-N 3.43Å; S3-K5 PolarHBondContact O-N 3.17Å | ||
| 4 | L | 32.7 | Very low | 35.2 | Very low | 165 Ų | 165 | 167.9 Ų | 167.9 | 86% | 0.864 | 85% | 0.846 | S | S | * | * | trans | -73.8 | 96.1 | 166.8 | -76.7 | 159.7 | 0 | 0 | 0 | 108.6 | T2 K6 | T2-L4 PolarHBondContact O-N 3.19Å; L4-K6 PolarHBondContact O-N 3.28Å | ||
| 5 | K | 37.9 | Very low | 35.6 | Very low | 191 Ų | 191 | 166.7 Ų | 166.7 | 83% | 0.83 | 84% | 0.837 | S | S | * | * | trans | -73.1 | 114.3 | 170.3 | -76.5 | -166.5 | 176.8 | -177.6 | 0 | 109.8 | S3 K7 | S3-K5 PolarHBondContact O-N 3.17Å; K5-K7 PolarHBondContact O-N 3.32Å | ||
| 6 | K | 34.9 | Very low | 35.8 | Very low | 203 Ų | 203 | 161.8 Ų | 161.8 | 88% | 0.883 | 83% | 0.83 | S | S | * | * | trans | -51.9 | 123.3 | 173.7 | -153.8 | 171 | -172.4 | 172.6 | 0 | 109.4 | L4 S8 | L4-K6 PolarHBondContact O-N 3.28Å; K6-S8 PolarHBondContact O-N 3.02Å | ||
| 7 | K | 31.7 | Very low | 36.7 | Very low | 201 Ų | 201 | 161.5 Ų | 161.5 | 87% | 0.874 | 83% | 0.83 | S | S | * | * | trans | -49.9 | 113.1 | 172.2 | -117 | 176.6 | 179.9 | 175.1 | 0 | 108.3 | K5 R9 | K5-K7 PolarHBondContact O-N 3.32Å; K7-R9 PolarHBondContact O-N 2.95Å | ||
| 8 | S | 37.9 | Very low | 38.2 | Very low | 111 Ų | 111 | 154.9 Ų | 154.9 | 78% | 0.776 | 81% | 0.808 | S | S | * | * | trans | -54 | 113.6 | 169.4 | -179.7 | 0 | 0 | 0 | 0 | 107.6 | K6 R10 | K6-S8 PolarHBondContact O-N 3.02Å; S8-R10 PolarHBondContact O-N 3.03Å | ||
| 9 | R | 36.9 | Very low | 40.6 | Very low | 238 Ų | 238 | 152.5 Ų | 152.5 | 90% | 0.898 | 80% | 0.796 | S | S | * | * | trans | -55.4 | 108.5 | 163 | -104.5 | 178.5 | 174.8 | 158.6 | -2 | 104.5 | K7 K11 | K7-R9 PolarHBondContact O-N 2.95Å; R9-K11 PolarHBondContact O-N 2.85Å | ||
| 10 | R | 29.8 | Very low | 43.1 | Very low | 237 Ų | 237 | 145.9 Ų | 145.9 | 89% | 0.894 | 76% | 0.762 | S | S | * | * | trans | -45.1 | 110 | 163.9 | -80 | -178.7 | 173.5 | 176.2 | -2.7 | 105.8 | S8 | S8-R10 PolarHBondContact O-N 3.03Š| ||
| 11 | K | 33.3 | Very low | 45.3 | Very low | 189 Ų | 189 | 140.2 Ų | 140.2 | 82% | 0.822 | 73% | 0.733 | S | S | * | * | trans | -45.7 | 131.1 | 154.4 | -93 | 177.9 | 171.9 | 178.8 | 0 | 104.4 | R9 S13 | R9-K11 PolarHBondContact O-N 2.85Å; K11-S13 PolarHBondContact O-N 2.75Å | ||
| 12 | P | 32.9 | Very low | 47.8 | Very low | 119 Ų | 119 | 128.5 Ų | 128.5 | 77% | 0.773 | 68% | 0.676 | S | S | * | * | trans | -56 | 107.3 | 165.3 | 10.1 | -4.6 | 0 | 0 | 0 | 104.1 | S14 | P12-S14 PolarHBondContact O-N 2.84Š| ||
| 13 | S | 33.8 | Very low | 50.5 | Low | 95 Ų | 95 | 122.5 Ų | 122.5 | 66% | 0.664 | 64% | 0.639 | S | S | * | * | trans | -43.8 | 128.8 | 163.9 | 45.8 | 0 | 0 | 0 | 0 | 104.8 | K11 Q15 | K11-S13 PolarHBondContact O-N 2.75Å; S13-Q15 VanDerWaalsContact C-N 3.34Å; S13-Q15 WeakPolarHBondContact O-CA 3.49Å; S13-Q15 PolarHBondContact O-N 2.77Å | ||
| 14 | S | 39.9 | Very low | 53.2 | Low | 109 Ų | 109 | 120.4 Ų | 120.4 | 76% | 0.762 | 62% | 0.615 | S | S | * | * | trans | -20.2 | 102.8 | 161.4 | 47.8 | 0 | 0 | 0 | 0 | 107.3 | P12 A16 | P12-S14 PolarHBondContact O-N 2.84Å; S14-A16 PolarHBondContact O-N 3.2Å | ||
| 15 | Q | 40.1 | Very low | 56.2 | Low | 150 Ų | 150 | 112.5 Ų | 112.5 | 70% | 0.701 | 57% | 0.574 | S | S | * | * | trans | -46.1 | 118.9 | -178.9 | -94.3 | 168.4 | -36.4 | 0 | 0 | 103.4 | S13 L17 | S13-Q15 VanDerWaalsContact C-N 3.34Å; S13-Q15 WeakPolarHBondContact O-CA 3.49Å; S13-Q15 PolarHBondContact O-N 2.77Å; Q15-L17 PolarHBondContact O-N 2.52Å | ||
| 16 | A | 39 | Very low | 59 | Low | 89 Ų | 89 | 104.6 Ų | 104.6 | 74% | 0.736 | 54% | 0.543 | S | S | * | . | trans | -36.9 | 126.5 | 167.6 | 0 | 0 | 0 | 0 | 0 | 105.2 | S14 G18 | S14-A16 PolarHBondContact O-N 3.2Å; A16-G18 WeakPolarHBondContact O-CA 3.45Å; A16-G18 PolarHBondContact O-N 3.05Å | ||
| 17 | L | 52.2 | Low | 62 | Low | 157 Ų | 157 | 95.2 Ų | 95.2 | 82% | 0.822 | 50% | 0.502 | S | S | * | . | trans | -53.5 | 66.5 | 177.4 | -92.2 | 133.7 | 0 | 0 | 0 | 109.1 | Q15 | Q15-L17 PolarHBondContact O-N 2.52Š| ||
| 18 | G | 62.5 | Low | 65.2 | Low | 42 Ų | 42 | 85.8 Ų | 85.8 | 43% | 0.433 | 46% | 0.461 | S | S | . | . | trans | -84 | 148.9 | -177.1 | 0 | 0 | 0 | 0 | 0 | 105.3 | A16 I20 | A16-G18 WeakPolarHBondContact O-CA 3.45Å; A16-G18 PolarHBondContact O-N 3.05Å; G18-I20 VanDerWaalsContact O-CG2 3.26Å; G18-I20 WeakPolarHBondContact O-CG2 3.2Å; G18-I20 PolarHBondContact O-N 3.16Å | ||
| 19 | N | 84.2 | Confident | 68 | Low | 109 Ų | 109 | 81.7 Ų | 81.7 | 58% | 0.583 | 43% | 0.429 | S | S | * | . | trans | -49.8 | 106.5 | -179.2 | -175 | -1.1 | 0 | 0 | 0 | 110.7 | V21 | N19-V21 VanDerWaalsContact C-N 3.3Å; N19-V21 WeakPolarHBondContact OD1-CB 3.12Å; N19-V21 WeakPolarHBondContact OD1-CG2 3.26Å; N19-V21 PolarHBondContact OD1-N 3.12Å | ||
| 20 | I | 90.6 | Very high | 70.9 | Confident | 21 Ų | 21 | 74.5 Ų | 74.5 | 11% | 0.108 | 40% | 0.404 | C | S | . | . | trans | -86.9 | -1.1 | 179.5 | 60.9 | 176.1 | 0 | 0 | 0 | 112 | G18 G22 C23 I43 Y54 L69 V80 | G18-I20 VanDerWaalsContact O-CG2 3.26Å; G18-I20 WeakPolarHBondContact O-CG2 3.2Å; G18-I20 PolarHBondContact O-N 3.16Å; I20-G22 PolarHBondContact O-N 2.83Å; I20-C23 WeakPolarHBondContact O-CB 3.17Å; I20-C23 PolarHBondContact O-N 3.01Å; I20-I43 HydrophobicContact CB-CD1 3.9Å; I20-I43 HydrophobicContact CD1-CD1 3.31Å; I20-I43 HydrophobicContact CG1-CD1 3.45Å; I20-I43 VanDerWaalsContact CG1-CD1 3.45Å; I20-Y54 HydrophobicContact CD1-CD1 4.28Å; I20-Y54 HydrophobicContact CD1-CE1 3.64Å; I20-Y54 HydrophobicContact CD1-CE2 4.25Å; I20-Y54 HydrophobicContact CG1-CD1 4.24Å; I20-Y54 HydrophobicContact CG1-CE1 3.52Å; I20-L69 HydrophobicContact CD1-CD1 4.26Å; I20-V80 HydrophobicContact CG2-CG1 4.27Å; I20-V80 HydrophobicContact CG2-CG2 4.02Å | ||
| 21 | V | 90.3 | Very high | 73.9 | Confident | 27 Ų | 27 | 67.6 Ų | 67.6 | 16% | 0.164 | 38% | 0.382 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | 134.5 | 172 | 178.4 | 0 | 0 | 0 | 0 | 109.6 | N19 C23 I43 Q46 F128 | N19-V21 VanDerWaalsContact C-N 3.3Å; N19-V21 WeakPolarHBondContact OD1-CB 3.12Å; N19-V21 WeakPolarHBondContact OD1-CG2 3.26Å; N19-V21 PolarHBondContact OD1-N 3.12Å; V21-C23 PolarHBondContact O-N 3Å; V21-I43 HydrophobicContact CB-CG2 4.48Å; V21-I43 HydrophobicContact CG2-CG2 4.13Å; V21-Q46 HydrophobicContact CG2-CB 3.95Å; V21-F128 HydrophobicContact CG1-CD1 4.47Å; V21-F128 HydrophobicContact CG1-CE1 3.48Å; V21-F128 VanDerWaalsContact CG1-CE1 3.48Å; V21-F128 HydrophobicContact CG1-CZ 3.95Å |
| 22 | G | 89.9 | Confident | 76.7 | Confident | 2 Ų | 2 | 61.3 Ų | 61.3 | 2% | 0.021 | 37% | 0.371 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 79.8 | -4.7 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | I20 I43 V85 | I20-G22 PolarHBondContact O-N 2.83Å; G22-I43 PolarHBondContact N-O 3.41Å; G22-V85 PolarHBondContact O-N 3.46Å |
| 23 | C | 92.1 | Very high | 79.7 | Confident | 11 Ų | 11 | 63.2 Ų | 63.2 | 7% | 0.074 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 149.2 | 172.6 | -62.5 | 0 | 0 | 0 | 0 | 111 | I20 V21 I43 V80 | I20-C23 WeakPolarHBondContact O-CB 3.17Å; I20-C23 PolarHBondContact O-N 3.01Å; V21-C23 PolarHBondContact O-N 3Å; C23-I43 PolarHBondContact O-N 3.05Å; C23-I43 VanDerWaalsContact O-N 3.1Å; C23-V80 HydrophobicContact CB-CG1 3.69Å |
| 24 | R | 94.4 | Very high | 82.6 | Confident | 62 Ų | 62 | 64.7 Ų | 64.7 | 23% | 0.234 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 147.3 | 162.3 | -70.6 | -150 | 60.8 | 111.9 | 11.7 | 111 | A41 D59 L81 H83 V85 | R24-A41 CarbonylContact C-O 3.6Å; R24-A41 VanDerWaalsContact CA-O 3.31Å; R24-A41 WeakPolarHBondContact CA-O 3.3Å; R24-D59 IonicContact CZ-OD1 3.22Å; R24-D59 IonicContact CZ-OD2 3.15Å; R24-D59 IonicContact NH1-OD1 2.77Å; R24-D59 PolarHBondContact NH1-OD1 2.92Å; R24-D59 IonicContact NH1-OD2 2.78Å; R24-D59 IonicContact NH2-OD1 2.98Å; R24-D59 PolarHBondContact NH2-OD1 3.28Å; R24-D59 IonicContact NH2-OD2 2.65Å; R24-D59 PolarHBondContact NH2-OD2 3.44Å; R24-L81 HydrophobicContact CB-CB 4.03Å; R24-L81 HydrophobicContact CB-CD1 4.03Å; R24-L81 HydrophobicContact CB-CG 4.4Å; R24-L81 WeakPolarHBondContact O-CB 3.17Å; R24-L81 PolarHBondContact O-N 2.59Å; R24-H83 PolarHBondContact N-O 2.74Å; R24-V85 HydrophobicContact CG-CG2 4.04Å |
| 25 | I | 95.8 | Very high | 85.3 | Confident | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 158.9 | 176.7 | 61.6 | 178.5 | 0 | 0 | 0 | 111.3 | Y27 K40 A41 I43 V56 L69 L78 K79 V80 | I25-Y27 HydrophobicContact CD1-CD1 4.3Å; I25-Y27 HydrophobicContact CD1-CE1 3.7Å; I25-Y27 HydrophobicContact CG1-CD1 4.5Å; I25-Y27 HydrophobicContact CG1-CE1 4.18Å; I25-K40 WeakPolarHBondContact O-CA 3.38Å; I25-A41 HydrophobicContact CD1-CB 4.29Å; I25-A41 HydrophobicContact CG1-CB 3.9Å; I25-A41 PolarHBondContact N-O 3.44Å; I25-A41 PolarHBondContact O-N 2.69Å; I25-I43 HydrophobicContact CD1-CD1 4.12Å; I25-I43 HydrophobicContact CD1-CG1 3.86Å; I25-I43 HydrophobicContact CG1-CG1 4.4Å; I25-I43 HydrophobicContact CG2-CD1 3.66Å; I25-I43 HydrophobicContact CG2-CG1 4.03Å; I25-V56 HydrophobicContact CD1-CG1 4.38Å; I25-L69 HydrophobicContact CD1-CD1 3.86Å; I25-L69 HydrophobicContact CD1-CD2 3.92Å; I25-L78 HydrophobicContact CB-CD1 4.24Å; I25-L78 HydrophobicContact CD1-CD1 4.41Å; I25-K79 CarbonylContact C-O 3.54Å; I25-K79 VanDerWaalsContact CA-O 3.26Å; I25-K79 WeakPolarHBondContact CA-O 3.45Å; I25-V80 HydrophobicContact CG2-CG2 4.29Å |
| 26 | S | 97.1 | Very high | 88.1 | Confident | 25 Ų | 25 | 60.2 Ų | 60.2 | 18% | 0.175 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 142.8 | 168.7 | 67.2 | 0 | 0 | 0 | 0 | 111.1 | W39 K79 | S26-W39 VanDerWaalsContact CA-O 3.23Å; S26-W39 WeakPolarHBondContact CA-O 3.29Å; S26-K79 PolarHBondContact N-O 2.98Å; S26-K79 PolarHBondContact O-N 2.87Å |
| 27 | Y | 97.8 | Very high | 90.9 | Very high | 5 Ų | 5 | 59 Ų | 59 | 2% | 0.02 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.4 | 164.4 | 175.8 | 48.3 | -90.2 | 0 | 0 | 0 | 111.7 | I25 W29 W39 Y58 L69 I75 L76 L78 | I25-Y27 HydrophobicContact CD1-CD1 4.3Å; I25-Y27 HydrophobicContact CD1-CE1 3.7Å; I25-Y27 HydrophobicContact CG1-CD1 4.5Å; I25-Y27 HydrophobicContact CG1-CE1 4.18Å; Y27-W29 HydrophobicContact CE2-CE3 4.19Å; Y27-W39 HydrophobicContact CE2-CB 4.35Å; Y27-W39 PolarHBondContact N-O 3.49Å; Y27-W39 VanDerWaalsContact N-O 3.11Å; Y27-W39 PolarHBondContact O-N 3.34Å; Y27-Y58 HydrophobicContact CE1-CE1 4.43Å; Y27-Y58 HydrophobicContact CE2-CE1 4.26Å; Y27-Y58 AromaticContact CZ-CE1 3.69Å; Y27-Y58 WeakPolarHBondContact OH-CE1 3.41Å; Y27-Y58 PolarHBondContact OH-OH 3.06Å; Y27-L69 HydrophobicContact CE1-CD2 4.16Å; Y27-I75 HydrophobicContact CD2-CG1 4.2Å; Y27-I75 HydrophobicContact CD2-CG2 3.98Å; Y27-I75 HydrophobicContact CE2-CD1 4.41Å; Y27-I75 HydrophobicContact CE2-CG1 4.08Å; Y27-I75 HydrophobicContact CG-CG2 3.91Å; Y27-L76 WeakPolarHBondContact CB-O 3.31Å; Y27-L78 HydrophobicContact CD1-CD1 3.64Å; Y27-L78 HydrophobicContact CE1-CD1 4.33Å; Y27-L78 HydrophobicContact CG-CD1 4.36Å |
| 28 | G | 98 | Very high | 93 | Very high | 3 Ų | 3 | 59.1 Ų | 59.1 | 3% | 0.031 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 144 | 162.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | T37 L76 | G28-T37 CarbonylContact C-O 3.55Å; G28-T37 VanDerWaalsContact CA-O 3.26Å; G28-T37 WeakPolarHBondContact CA-O 3.26Å; G28-L76 PolarHBondContact N-O 3.13Å; G28-L76 PolarHBondContact O-N 2.94Å |
| 29 | W | 97.5 | Very high | 94.7 | Very high | 26 Ų | 26 | 61.5 Ų | 61.5 | 10% | 0.098 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 130 | 173.1 | 178.6 | -93.7 | 0 | 0 | 0 | 109.5 | Y27 E31 V36 T37 W39 R74 I75 L215 | Y27-W29 HydrophobicContact CE2-CE3 4.19Å; W29-E31 VanDerWaalsContact CZ2-OE2 3.28Å; W29-E31 WeakPolarHBondContact CZ2-OE2 3.41Å; W29-E31 PolarHBondContact NE1-OE2 2.79Å; W29-V36 WeakPolarHBondContact O-CA 3.44Å; W29-T37 PolarHBondContact N-O 3.21Å; W29-T37 PolarHBondContact O-N 2.91Å; W29-T37 PolarHBondContact O-OG1 3.24Å; W29-W39 VanDerWaalsContact CB-CD1 3.46Å; W29-R74 CarbonylContact C-O 3.59Å; W29-R74 WeakPolarHBondContact CA-O 3.48Å; W29-R74 HydrophobicContact CD2-CB 4.06Å; W29-R74 HydrophobicContact CE3-CB 3.89Å; W29-R74 HydrophobicContact CH2-CB 3.83Å; W29-R74 HydrophobicContact CH2-CG 4.42Å; W29-R74 HydrophobicContact CZ2-CB 3.96Å; W29-R74 HydrophobicContact CZ2-CG 4.36Å; W29-R74 HydrophobicContact CZ3-CB 3.77Å; W29-I75 HydrophobicContact CE3-CG1 4.02Å; W29-I75 HydrophobicContact CZ3-CG1 3.94Å; W29-L215 HydrophobicContact CH2-CD1 3.63Å; W29-L215 HydrophobicContact CH2-CD2 4.3Å; W29-L215 HydrophobicContact CZ2-CD1 3.84Å |
| 30 | K | 97.3 | Very high | 95.3 | Very high | 87 Ų | 87 | 62.1 Ų | 62.1 | 38% | 0.378 | 32% | 0.324 | S | S | . | . | trans | -129.7 | 112.5 | 177.2 | -167.1 | -176 | -179.1 | -168.6 | 0 | 110.7 | G32 V36 R74 L76 | K30-G32 VanDerWaalsContact CE-O 3.29Å; K30-G32 WeakPolarHBondContact CE-O 3.35Å; K30-V36 HydrophobicContact CB-CG2 4.22Å; K30-V36 HydrophobicContact CD-CG2 4.26Å; K30-V36 HydrophobicContact CG-CG2 4.24Å; K30-R74 PolarHBondContact N-O 3.46Å; K30-R74 WeakPolarHBondContact O-CB 3.34Å; K30-R74 WeakPolarHBondContact O-CG 3.37Å; K30-L76 HydrophobicContact CB-CD1 3.94Å | ||
| 31 | E | 93.3 | Very high | 95.6 | Very high | 92 Ų | 92 | 61.1 Ų | 61.1 | 43% | 0.43 | 32% | 0.319 | S | S | . | . | trans | -96.5 | 108.6 | 175.1 | -164.8 | 68.4 | -121.3 | 0 | 0 | 109.3 | W29 N33 E34 R74 | W29-E31 VanDerWaalsContact CZ2-OE2 3.28Å; W29-E31 WeakPolarHBondContact CZ2-OE2 3.41Å; W29-E31 PolarHBondContact NE1-OE2 2.79Å; E31-N33 PolarHBondContact O-N 3.33Å; E31-N33 VanDerWaalsContact O-N 3.12Å; E31-E34 VanDerWaalsContact O-CB 3.26Å; E31-E34 WeakPolarHBondContact O-CB 3.41Å; E31-E34 WeakPolarHBondContact O-CG 3.37Å; E31-E34 PolarHBondContact O-N 3.43Å; E31-R74 WeakPolarHBondContact OE1-CD 2.98Å; E31-R74 IonicContact OE1-NH1 3.81Å; E31-R74 VanDerWaalsContact OE2-CD 3.29Å; E31-R74 WeakPolarHBondContact OE2-CD 3.09Å; E31-R74 IonicContact OE2-NH1 3.82Å; E31-R74 PolarHBondContact OE2-NH1 2.71Å | ||
| 32 | G | 93 | Very high | 95.8 | Very high | 56 Ų | 56 | 60.4 Ų | 60.4 | 58% | 0.577 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.8 | -117.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | K30 | K30-G32 VanDerWaalsContact CE-O 3.29Å; K30-G32 WeakPolarHBondContact CE-O 3.35Å |
| 33 | N | 94.4 | Very high | 96 | Very high | 160 Ų | 160 | 60.3 Ų | 60.3 | 86% | 0.856 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.4 | 2.8 | -179.7 | -70 | -28.7 | 0 | 0 | 0 | 113.9 | E31 | E31-N33 PolarHBondContact O-N 3.33Å; E31-N33 VanDerWaalsContact O-N 3.12Å |
| 34 | E | 95.1 | Very high | 96.1 | Very high | 126 Ų | 126 | 59.9 Ų | 59.9 | 59% | 0.589 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -68.2 | 156.5 | -178.9 | -65 | -57.1 | 136.5 | 0 | 0 | 112.4 | E31 | E31-E34 VanDerWaalsContact O-CB 3.26Å; E31-E34 WeakPolarHBondContact O-CB 3.41Å; E31-E34 WeakPolarHBondContact O-CG 3.37Å; E31-E34 PolarHBondContact O-N 3.43Å |
| 35 | P | 97.1 | Very high | 96 | Very high | 100 Ų | 100 | 57.6 Ų | 57.6 | 65% | 0.649 | 31% | 0.306 | S | S | * | . | P | Polyproline II helix | trans | -57.5 | 148.3 | 172.6 | -23.2 | 34 | 0 | 0 | 0 | 112.4 | T37 | P35-T37 PolarHBondContact O-N 2.85Š|
| 36 | V | 97.8 | Very high | 95.8 | Very high | 65 Ų | 65 | 61.3 Ų | 61.3 | 39% | 0.394 | 32% | 0.323 | S | S | . | . | P | Polyproline II helix | trans | -69.9 | 120.6 | 176.6 | -177.5 | 0 | 0 | 0 | 0 | 109.9 | W29 K30 L76 | W29-V36 WeakPolarHBondContact O-CA 3.44Å; K30-V36 HydrophobicContact CB-CG2 4.22Å; K30-V36 HydrophobicContact CD-CG2 4.26Å; K30-V36 HydrophobicContact CG-CG2 4.24Å; V36-L76 HydrophobicContact CG1-CD1 4.22Å; V36-L76 HydrophobicContact CG2-CD1 3.9Å |
| 37 | T | 97.9 | Very high | 95.3 | Very high | 63 Ų | 63 | 60.4 Ų | 60.4 | 39% | 0.387 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 150.1 | 172.3 | 50.9 | 0 | 0 | 0 | 0 | 110.2 | G28 W29 P35 W39 | G28-T37 CarbonylContact C-O 3.55Å; G28-T37 VanDerWaalsContact CA-O 3.26Å; G28-T37 WeakPolarHBondContact CA-O 3.26Å; W29-T37 PolarHBondContact N-O 3.21Å; W29-T37 PolarHBondContact O-N 2.91Å; W29-T37 PolarHBondContact O-OG1 3.24Å; P35-T37 PolarHBondContact O-N 2.85Å; T37-W39 PolarHBondContact OG1-NE1 3.27Å |
| 38 | H | 97.9 | Very high | 94.4 | Very high | 160 Ų | 160 | 65.4 Ų | 65.4 | 74% | 0.741 | 35% | 0.349 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 125.6 | -178.9 | -74.5 | 77.6 | 0 | 0 | 0 | 110.5 | ||
| 39 | W | 97.8 | Very high | 93.6 | Very high | 91 Ų | 91 | 68 Ų | 68 | 35% | 0.345 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 147.7 | -175.2 | -64.6 | 92 | 0 | 0 | 0 | 111.3 | S26 Y27 W29 T37 Y58 | S26-W39 VanDerWaalsContact CA-O 3.23Å; S26-W39 WeakPolarHBondContact CA-O 3.29Å; Y27-W39 HydrophobicContact CE2-CB 4.35Å; Y27-W39 PolarHBondContact N-O 3.49Å; Y27-W39 VanDerWaalsContact N-O 3.11Å; Y27-W39 PolarHBondContact O-N 3.34Å; W29-W39 VanDerWaalsContact CB-CD1 3.46Å; T37-W39 PolarHBondContact OG1-NE1 3.27Å; W39-Y58 HydrophobicContact CB-CD1 3.88Å; W39-Y58 HydrophobicContact CB-CE1 3.75Å; W39-Y58 HydrophobicContact CD2-CD1 4.4Å; W39-Y58 HydrophobicContact CD2-CE1 4.49Å; W39-Y58 HydrophobicContact CE3-CD1 4.04Å; W39-Y58 HydrophobicContact CE3-CG 4.45Å; W39-Y58 HydrophobicContact CG-CD1 4.37Å; W39-Y58 HydrophobicContact CG-CE1 4.17Å |
| 40 | K | 97.1 | Very high | 93.1 | Very high | 123 Ų | 123 | 68.6 Ų | 68.6 | 54% | 0.535 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 141.2 | 171.4 | -65.8 | -179.8 | -176.6 | 172.4 | 0 | 108.6 | I25 Y58 D59 | I25-K40 WeakPolarHBondContact O-CA 3.38Å; K40-Y58 WeakPolarHBondContact O-CA 3.29Å; K40-D59 VanDerWaalsContact CB-OD2 3.27Å; K40-D59 WeakPolarHBondContact CB-OD2 3.27Å; K40-D59 PolarHBondContact O-N 2.68Å |
| 41 | A | 96 | Very high | 92.8 | Very high | 0 Ų | 0 | 68.2 Ų | 68.2 | 0% | 0 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 168.8 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | R24 I25 V56 K57 Y58 | R24-A41 CarbonylContact C-O 3.6Å; R24-A41 VanDerWaalsContact CA-O 3.31Å; R24-A41 WeakPolarHBondContact CA-O 3.3Å; I25-A41 HydrophobicContact CD1-CB 4.29Å; I25-A41 HydrophobicContact CG1-CB 3.9Å; I25-A41 PolarHBondContact N-O 3.44Å; I25-A41 PolarHBondContact O-N 2.69Å; A41-V56 HydrophobicContact CB-CG1 3.39Å; A41-K57 CarbonylContact C-O 3.45Å; A41-K57 WeakPolarHBondContact CA-O 3.37Å; A41-K57 VanDerWaalsContact CB-O 3.25Å; A41-K57 WeakPolarHBondContact CB-O 3.15Å; A41-Y58 HydrophobicContact CB-CD1 3.71Å; A41-Y58 HydrophobicContact CB-CE1 4.23Å; A41-Y58 HydrophobicContact CB-CG 4.14Å |
| 42 | I | 94.5 | Very high | 92.7 | Very high | 12 Ų | 12 | 66.6 Ų | 66.6 | 6% | 0.062 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 141.4 | 163.2 | -171 | -177.6 | 0 | 0 | 0 | 109.4 | L44 K57 V85 F128 L129 | I42-L44 HydrophobicContact CG2-CD2 3.71Å; I42-K57 HydrophobicContact CG2-CB 3.89Å; I42-K57 PolarHBondContact N-O 3.3Å; I42-K57 PolarHBondContact O-N 3.21Å; I42-V85 HydrophobicContact CD1-CB 4Å; I42-V85 HydrophobicContact CD1-CG2 3.47Å; I42-V85 VanDerWaalsContact CD1-CG2 3.47Å; I42-V85 HydrophobicContact CG1-CG2 4.17Å; I42-F128 HydrophobicContact CD1-CE2 4.13Å; I42-L129 HydrophobicContact CD1-CD1 3.98Å; I42-L129 HydrophobicContact CD1-CD2 4.17Å; I42-L129 HydrophobicContact CD1-CG 4.32Å |
| 43 | I | 94.7 | Very high | 92.7 | Very high | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 112.7 | 171.5 | -59.4 | 178.8 | 0 | 0 | 0 | 108.4 | I20 V21 G22 C23 I25 Y54 L55 L69 | I20-I43 HydrophobicContact CB-CD1 3.9Å; I20-I43 HydrophobicContact CD1-CD1 3.31Å; I20-I43 HydrophobicContact CG1-CD1 3.45Å; I20-I43 VanDerWaalsContact CG1-CD1 3.45Å; V21-I43 HydrophobicContact CB-CG2 4.48Å; V21-I43 HydrophobicContact CG2-CG2 4.13Å; G22-I43 PolarHBondContact N-O 3.41Å; C23-I43 PolarHBondContact O-N 3.05Å; C23-I43 VanDerWaalsContact O-N 3.1Å; I25-I43 HydrophobicContact CD1-CD1 4.12Å; I25-I43 HydrophobicContact CD1-CG1 3.86Å; I25-I43 HydrophobicContact CG1-CG1 4.4Å; I25-I43 HydrophobicContact CG2-CD1 3.66Å; I25-I43 HydrophobicContact CG2-CG1 4.03Å; I43-Y54 HydrophobicContact CG2-CD1 3.71Å; I43-Y54 HydrophobicContact CG2-CG 4.38Å; I43-L55 CarbonylContact C-O 3.54Å; I43-L69 HydrophobicContact CD1-CD1 3.58Å; I43-L69 HydrophobicContact CG1-CD1 4.13Å |
| 44 | L | 93.4 | Very high | 92.8 | Very high | 2 Ų | 2 | 57.2 Ų | 57.2 | 1% | 0.01 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | -32 | -178.2 | -58.6 | -173.7 | 0 | 0 | 0 | 112.8 | I42 L55 K57 V64 V126 F128 L129 Y134 V145 | I42-L44 HydrophobicContact CG2-CD2 3.71Å; L44-L55 HydrophobicContact CB-CB 4.16Å; L44-L55 PolarHBondContact N-O 2.79Å; L44-K57 HydrophobicContact CD1-CB 3.92Å; L44-K57 HydrophobicContact CD2-CB 4.1Å; L44-K57 HydrophobicContact CG-CB 4Å; L44-V64 HydrophobicContact CD1-CG1 4.14Å; L44-V64 HydrophobicContact CD1-CG2 3.94Å; L44-V126 HydrophobicContact CD2-CG1 4.1Å; L44-F128 WeakPolarHBondContact O-CE1 3.42Å; L44-F128 WeakPolarHBondContact O-CZ 3.19Å; L44-L129 HydrophobicContact CD2-CD1 3.78Å; L44-Y134 VanDerWaalsContact CB-OH 3.29Å; L44-Y134 WeakPolarHBondContact CB-OH 3.45Å; L44-Y134 HydrophobicContact CD1-CE1 3.76Å; L44-V145 HydrophobicContact CD1-CG2 3.93Å |
| 45 | G | 92.1 | Very high | 92.8 | Very high | 14 Ų | 14 | 52.3 Ų | 52.3 | 14% | 0.144 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -173.5 | 171.3 | -175.2 | 0 | 0 | 0 | 0 | 0 | 112 | Y54 L55 | G45-Y54 WeakPolarHBondContact O-CA 3.36Å; G45-L55 PolarHBondContact O-N 3.24Å |
| 46 | Q | 92 | Very high | 92.8 | Very high | 77 Ų | 77 | 47.5 Ų | 47.5 | 36% | 0.36 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 135.1 | 174.3 | -175.6 | -179.7 | 32.1 | 0 | 0 | 107.2 | V21 P51 Y54 | V21-Q46 HydrophobicContact CG2-CB 3.95Å; Q46-P51 PolarHBondContact NE2-O 3.1Å; Q46-Y54 HydrophobicContact CB-CD1 3.98Å; Q46-Y54 HydrophobicContact CB-CE1 4.05Å; Q46-Y54 HydrophobicContact CG-CD1 4.06Å; Q46-Y54 HydrophobicContact CG-CE1 3.84Å; Q46-Y54 PolarHBondContact NE2-OH 3.27Å |
| 47 | L | 86.2 | Confident | 92.7 | Very high | 6 Ų | 6 | 45.7 Ų | 45.7 | 3% | 0.031 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 128.7 | -174.3 | -73.4 | 166.3 | 0 | 0 | 0 | 111 | T49 N50 L53 L55 V197 | L47-T49 VanDerWaalsContact C-N 3.28Å; L47-T49 PolarHBondContact O-N 3Å; L47-N50 CarbonylContact O-C 3.56Å; L47-N50 PolarHBondContact O-N 2.82Å; L47-N50 VanDerWaalsContact O-O 3.13Å; L47-L53 HydrophobicContact CD1-CB 4.09Å; L47-L53 HydrophobicContact CD1-CD2 3.31Å; L47-L53 HydrophobicContact CD1-CG 3.69Å; L47-L53 PolarHBondContact N-O 2.78Å; L47-L53 VanDerWaalsContact N-O 3.08Å; L47-L55 HydrophobicContact CD1-CD2 4.47Å; L47-V197 HydrophobicContact CD1-CB 3.65Å; L47-V197 HydrophobicContact CD1-CG1 3.93Å; L47-V197 HydrophobicContact CD1-CG2 4.04Å; L47-V197 HydrophobicContact CD2-CB 4.08Å; L47-V197 HydrophobicContact CD2-CG2 4.37Å; L47-V197 HydrophobicContact CG-CB 4.45Å |
| 48 | P | 80.4 | Confident | 92.6 | Very high | 110 Ų | 110 | 43.4 Ų | 43.4 | 71% | 0.714 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -35.6 | -178.1 | -23.8 | 32.9 | 0 | 0 | 0 | 113.5 | ||
| 49 | T | 81 | Confident | 92.5 | Very high | 58 Ų | 58 | 39.3 Ų | 39.3 | 36% | 0.356 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | -10.1 | -176.9 | 56.8 | 0 | 0 | 0 | 0 | 114.3 | L47 I178 | L47-T49 VanDerWaalsContact C-N 3.28Å; L47-T49 PolarHBondContact O-N 3Å; T49-I178 HydrophobicContact CG2-CG2 3.47Å; T49-I178 VanDerWaalsContact CG2-CG2 3.47Å |
| 50 | N | 87.3 | Confident | 92.3 | Very high | 39 Ų | 39 | 38.7 Ų | 38.7 | 21% | 0.209 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 88.5 | 169.3 | -176.2 | 0.7 | 0 | 0 | 0 | 109.1 | L47 S52 L53 E68 | L47-N50 CarbonylContact O-C 3.56Å; L47-N50 PolarHBondContact O-N 2.82Å; L47-N50 VanDerWaalsContact O-O 3.13Å; N50-S52 PolarHBondContact O-N 2.83Å; N50-S52 VanDerWaalsContact O-N 3.09Å; N50-S52 WeakPolarHBondContact OD1-CB 3.26Å; N50-S52 PolarHBondContact OD1-N 3.11Å; N50-L53 HydrophobicContact CB-CB 4.07Å; N50-L53 WeakPolarHBondContact O-CB 3.23Å; N50-L53 PolarHBondContact O-N 3.33Å; N50-E68 PolarHBondContact ND2-OE1 2.9Å |
| 51 | P | 89.9 | Confident | 92.3 | Very high | 78 Ų | 78 | 35.4 Ų | 35.4 | 51% | 0.506 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.4 | -19.6 | -179.5 | -25.3 | 35 | 0 | 0 | 0 | 114.1 | Q46 L53 | Q46-P51 PolarHBondContact NE2-O 3.1Å; P51-L53 PolarHBondContact O-N 2.89Å |
| 52 | S | 91.6 | Very high | 92.3 | Very high | 58 Ų | 58 | 38.6 Ų | 38.6 | 41% | 0.406 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71 | -23.4 | 174.1 | -60.3 | 0 | 0 | 0 | 0 | 112.3 | N50 Y54 E68 | N50-S52 PolarHBondContact O-N 2.83Å; N50-S52 VanDerWaalsContact O-N 3.09Å; N50-S52 WeakPolarHBondContact OD1-CB 3.26Å; N50-S52 PolarHBondContact OD1-N 3.11Å; S52-Y54 WeakPolarHBondContact O-CD2 3.46Å; S52-E68 VanDerWaalsContact O-CA 3.26Å; S52-E68 WeakPolarHBondContact O-CA 3.44Å |
| 53 | L | 93.4 | Very high | 92.4 | Very high | 6 Ų | 6 | 38.7 Ų | 38.7 | 3% | 0.031 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 117 | -172.4 | -168 | 65.9 | 0 | 0 | 0 | 111.5 | L47 N50 P51 G66 E68 V197 K210 | L47-L53 HydrophobicContact CD1-CB 4.09Å; L47-L53 HydrophobicContact CD1-CD2 3.31Å; L47-L53 HydrophobicContact CD1-CG 3.69Å; L47-L53 PolarHBondContact N-O 2.78Å; L47-L53 VanDerWaalsContact N-O 3.08Å; N50-L53 HydrophobicContact CB-CB 4.07Å; N50-L53 WeakPolarHBondContact O-CB 3.23Å; N50-L53 PolarHBondContact O-N 3.33Å; P51-L53 PolarHBondContact O-N 2.89Å; L53-G66 VanDerWaalsContact CD1-C 3.43Å; L53-E68 HydrophobicContact CB-CG 4.34Å; L53-E68 HydrophobicContact CD1-CG 3.76Å; L53-V197 HydrophobicContact CD2-CG1 4.18Å; L53-K210 HydrophobicContact CD2-CB 4.27Å; L53-K210 HydrophobicContact CD2-CG 3.92Å |
| 54 | Y | 95.6 | Very high | 92.6 | Very high | 13 Ų | 13 | 38.7 Ų | 38.7 | 5% | 0.051 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 145.1 | 178.2 | -65.1 | -87.6 | 0 | 0 | 0 | 111.2 | I20 I43 G45 Q46 S52 G66 Q67 L69 H70 | I20-Y54 HydrophobicContact CD1-CD1 4.28Å; I20-Y54 HydrophobicContact CD1-CE1 3.64Å; I20-Y54 HydrophobicContact CD1-CE2 4.25Å; I20-Y54 HydrophobicContact CG1-CD1 4.24Å; I20-Y54 HydrophobicContact CG1-CE1 3.52Å; I43-Y54 HydrophobicContact CG2-CD1 3.71Å; I43-Y54 HydrophobicContact CG2-CG 4.38Å; G45-Y54 WeakPolarHBondContact O-CA 3.36Å; Q46-Y54 HydrophobicContact CB-CD1 3.98Å; Q46-Y54 HydrophobicContact CB-CE1 4.05Å; Q46-Y54 HydrophobicContact CG-CD1 4.06Å; Q46-Y54 HydrophobicContact CG-CE1 3.84Å; Q46-Y54 PolarHBondContact NE2-OH 3.27Å; S52-Y54 WeakPolarHBondContact O-CD2 3.46Å; Y54-G66 WeakPolarHBondContact O-CA 3.45Å; Y54-Q67 PolarHBondContact N-O 2.99Å; Y54-Q67 PolarHBondContact O-N 2.83Å; Y54-L69 HydrophobicContact CD1-CD1 4.45Å; Y54-L69 HydrophobicContact CD2-CB 3.98Å; Y54-L69 HydrophobicContact CD2-CD1 3.65Å; Y54-L69 HydrophobicContact CD2-CG 3.77Å; Y54-L69 HydrophobicContact CE2-CB 4.28Å; Y54-L69 HydrophobicContact CE2-CD1 4.26Å; Y54-L69 HydrophobicContact CE2-CG 4.5Å; Y54-L69 HydrophobicContact CG-CD1 3.74Å; Y54-L69 HydrophobicContact CG-CG 4.22Å; Y54-H70 AromaticContact CE2-CD2 3.99Å |
| 55 | L | 95.7 | Very high | 92.8 | Very high | 23 Ų | 23 | 40.5 Ų | 40.5 | 12% | 0.12 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 121.3 | 166.2 | -59.5 | -178.4 | 0 | 0 | 0 | 108.6 | I43 L44 G45 L47 V64 Y65 I217 | I43-L55 CarbonylContact C-O 3.54Å; L44-L55 HydrophobicContact CB-CB 4.16Å; L44-L55 PolarHBondContact N-O 2.79Å; G45-L55 PolarHBondContact O-N 3.24Å; L47-L55 HydrophobicContact CD1-CD2 4.47Å; L55-V64 HydrophobicContact CB-CG1 4.04Å; L55-V64 HydrophobicContact CD2-CG1 4.34Å; L55-Y65 CarbonylContact C-O 3.58Å; L55-Y65 WeakPolarHBondContact CA-O 3.26Å; L55-I217 HydrophobicContact CD2-CD1 4.04Å; L55-I217 HydrophobicContact CD2-CG1 3.83Å |
| 56 | V | 96.3 | Very high | 93 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 129.5 | -170.1 | -176.1 | 0 | 0 | 0 | 0 | 109.6 | I25 A41 Y58 Y65 Q67 L69 | I25-V56 HydrophobicContact CD1-CG1 4.38Å; A41-V56 HydrophobicContact CB-CG1 3.39Å; V56-Y58 HydrophobicContact CG1-CD2 4.4Å; V56-Y58 HydrophobicContact CG1-CE1 4.44Å; V56-Y58 HydrophobicContact CG1-CE2 4.19Å; V56-Y65 PolarHBondContact N-O 3.46Å; V56-Y65 PolarHBondContact O-N 2.92Å; V56-Q67 HydrophobicContact CG2-CB 4.06Å; V56-L69 HydrophobicContact CG2-CD1 4.45Å; V56-L69 HydrophobicContact CG2-CD2 4.25Å |
| 57 | K | 95.8 | Very high | 93.1 | Very high | 27 Ų | 27 | 36.4 Ų | 36.4 | 12% | 0.117 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 116.5 | 169.5 | -172.7 | -161.7 | -169.4 | -55.3 | 0 | 109.4 | A41 I42 L44 I61 V145 | A41-K57 CarbonylContact C-O 3.45Å; A41-K57 WeakPolarHBondContact CA-O 3.37Å; A41-K57 VanDerWaalsContact CB-O 3.25Å; A41-K57 WeakPolarHBondContact CB-O 3.15Å; I42-K57 HydrophobicContact CG2-CB 3.89Å; I42-K57 PolarHBondContact N-O 3.3Å; I42-K57 PolarHBondContact O-N 3.21Å; L44-K57 HydrophobicContact CD1-CB 3.92Å; L44-K57 HydrophobicContact CD2-CB 4.1Å; L44-K57 HydrophobicContact CG-CB 4Å; K57-I61 PolarHBondContact NZ-O 3.2Å; K57-V145 HydrophobicContact CD-CB 4.33Å; K57-V145 HydrophobicContact CD-CG1 3.74Å |
| 58 | Y | 96.8 | Very high | 93.5 | Very high | 14 Ų | 14 | 39.4 Ų | 39.4 | 6% | 0.055 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 155.1 | 177.8 | -65.2 | -87.5 | 0 | 0 | 0 | 112.1 | Y27 W39 K40 A41 V56 G60 I61 Y65 | Y27-Y58 HydrophobicContact CE1-CE1 4.43Å; Y27-Y58 HydrophobicContact CE2-CE1 4.26Å; Y27-Y58 AromaticContact CZ-CE1 3.69Å; Y27-Y58 WeakPolarHBondContact OH-CE1 3.41Å; Y27-Y58 PolarHBondContact OH-OH 3.06Å; W39-Y58 HydrophobicContact CB-CD1 3.88Å; W39-Y58 HydrophobicContact CB-CE1 3.75Å; W39-Y58 HydrophobicContact CD2-CD1 4.4Å; W39-Y58 HydrophobicContact CD2-CE1 4.49Å; W39-Y58 HydrophobicContact CE3-CD1 4.04Å; W39-Y58 HydrophobicContact CE3-CG 4.45Å; W39-Y58 HydrophobicContact CG-CD1 4.37Å; W39-Y58 HydrophobicContact CG-CE1 4.17Å; K40-Y58 WeakPolarHBondContact O-CA 3.29Å; A41-Y58 HydrophobicContact CB-CD1 3.71Å; A41-Y58 HydrophobicContact CB-CE1 4.23Å; A41-Y58 HydrophobicContact CB-CG 4.14Å; V56-Y58 HydrophobicContact CG1-CD2 4.4Å; V56-Y58 HydrophobicContact CG1-CE1 4.44Å; V56-Y58 HydrophobicContact CG1-CE2 4.19Å; Y58-G60 PolarHBondContact O-N 2.78Å; Y58-I61 PolarHBondContact O-N 2.65Å; Y58-I61 VanDerWaalsContact O-O 3.13Å; Y58-Y65 AromaticContact CD2-CD2 3.41Å; Y58-Y65 HydrophobicContact CD2-CD2 3.41Å; Y58-Y65 VanDerWaalsContact CD2-CD2 3.41Å; Y58-Y65 AromaticContact CD2-CE2 3.73Å; Y58-Y65 HydrophobicContact CD2-CE2 3.73Å; Y58-Y65 HydrophobicContact CD2-CG 4.16Å; Y58-Y65 AromaticContact CE2-CD2 3.51Å; Y58-Y65 HydrophobicContact CE2-CD2 3.51Å; Y58-Y65 HydrophobicContact CE2-CE2 4.08Å; Y58-Y65 AromaticContact CE2-CG 3.77Å; Y58-Y65 HydrophobicContact CE2-CG 3.77Å |
| 59 | D | 94.9 | Very high | 94.2 | Very high | 74 Ų | 74 | 34.4 Ų | 34.4 | 40% | 0.396 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | 131.3 | 173.1 | -69.7 | -11.7 | 0 | 0 | 0 | 110.3 | R24 K40 I61 | R24-D59 IonicContact CZ-OD1 3.22Å; R24-D59 IonicContact CZ-OD2 3.15Å; R24-D59 IonicContact NH1-OD1 2.77Å; R24-D59 PolarHBondContact NH1-OD1 2.92Å; R24-D59 IonicContact NH1-OD2 2.78Å; R24-D59 IonicContact NH2-OD1 2.98Å; R24-D59 PolarHBondContact NH2-OD1 3.28Å; R24-D59 IonicContact NH2-OD2 2.65Å; R24-D59 PolarHBondContact NH2-OD2 3.44Å; K40-D59 VanDerWaalsContact CB-OD2 3.27Å; K40-D59 WeakPolarHBondContact CB-OD2 3.27Å; K40-D59 PolarHBondContact O-N 2.68Å; D59-I61 PolarHBondContact O-N 3.26Å |
| 60 | G | 94.6 | Very high | 94.9 | Very high | 78 Ų | 78 | 37 Ų | 37 | 80% | 0.804 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 73.7 | 6.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | Y58 | Y58-G60 PolarHBondContact O-N 2.78Š|
| 61 | I | 96.3 | Very high | 95.2 | Very high | 55 Ų | 55 | 38.2 Ų | 38.2 | 28% | 0.282 | 23% | 0.225 | S | C | . | . | trans | -123.9 | 134.7 | 177 | -49.4 | -67.3 | 0 | 0 | 0 | 109.4 | K57 Y58 D59 Y65 | K57-I61 PolarHBondContact NZ-O 3.2Å; Y58-I61 PolarHBondContact O-N 2.65Å; Y58-I61 VanDerWaalsContact O-O 3.13Å; D59-I61 PolarHBondContact O-N 3.26Å; I61-Y65 HydrophobicContact CG2-CE2 3.76Å | ||
| 62 | D | 96.3 | Very high | 95.4 | Very high | 66 Ų | 66 | 36 Ų | 36 | 35% | 0.353 | 21% | 0.209 | S | C | . | . | trans | -92.9 | -26 | -175 | -59.1 | -32.2 | 0 | 0 | 0 | 113.2 | Y144 V145 Y146 | D62-Y144 HydrophobicContact CB-CD1 4.11Å; D62-Y144 WeakPolarHBondContact O-CA 3.39Å; D62-V145 PolarHBondContact O-N 2.92Å; D62-Y146 HydrophobicContact CB-CE1 3.71Å; D62-Y146 HydrophobicContact CB-CE2 4.13Å; D62-Y146 VanDerWaalsContact CB-CZ 3.43Å; D62-Y146 WeakPolarHBondContact CB-OH 3.39Å; D62-Y146 WeakPolarHBondContact OD2-CE1 3.39Å; D62-Y146 PolarHBondContact OD2-OH 2.93Å | ||
| 63 | S | 97.3 | Very high | 95.6 | Very high | 15 Ų | 15 | 42 Ų | 42 | 11% | 0.105 | 23% | 0.231 | C | C | . | . | B | Isolated β-bridge | trans | -66.9 | 145.6 | 175.6 | -50.3 | 0 | 0 | 0 | 0 | 111.8 | Y65 Y144 | S63-Y65 WeakPolarHBondContact O-CD2 3.22Å; S63-Y65 WeakPolarHBondContact O-CE2 3.36Å; S63-Y144 VanDerWaalsContact OG-CE1 3.25Å; S63-Y144 WeakPolarHBondContact OG-CE1 3.39Å |
| 64 | V | 97.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 129.5 | 175 | -178.7 | 0 | 0 | 0 | 0 | 109.6 | L44 L55 Y134 L143 V145 | L44-V64 HydrophobicContact CD1-CG1 4.14Å; L44-V64 HydrophobicContact CD1-CG2 3.94Å; L55-V64 HydrophobicContact CB-CG1 4.04Å; L55-V64 HydrophobicContact CD2-CG1 4.34Å; V64-Y134 HydrophobicContact CG2-CD1 4.25Å; V64-Y134 HydrophobicContact CG2-CE1 3.98Å; V64-L143 HydrophobicContact CB-CB 4.22Å; V64-L143 HydrophobicContact CB-CD2 3.88Å; V64-L143 HydrophobicContact CB-CG 3.94Å; V64-L143 HydrophobicContact CG1-CD2 3.9Å; V64-L143 HydrophobicContact CG2-CD2 4.25Å; V64-L143 HydrophobicContact CG2-CG 4.04Å; V64-L143 PolarHBondContact N-O 3.09Å; V64-V145 HydrophobicContact CG2-CB 4.11Å; V64-V145 HydrophobicContact CG2-CG2 3.66Å |
| 65 | Y | 97.3 | Very high | 95.8 | Very high | 40 Ų | 40 | 44.7 Ų | 44.7 | 16% | 0.157 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 139.6 | -178.2 | -63.8 | -90.3 | 0 | 0 | 0 | 111.3 | L55 V56 Y58 I61 S63 L215 H216 | L55-Y65 CarbonylContact C-O 3.58Å; L55-Y65 WeakPolarHBondContact CA-O 3.26Å; V56-Y65 PolarHBondContact N-O 3.46Å; V56-Y65 PolarHBondContact O-N 2.92Å; Y58-Y65 AromaticContact CD2-CD2 3.41Å; Y58-Y65 HydrophobicContact CD2-CD2 3.41Å; Y58-Y65 VanDerWaalsContact CD2-CD2 3.41Å; Y58-Y65 AromaticContact CD2-CE2 3.73Å; Y58-Y65 HydrophobicContact CD2-CE2 3.73Å; Y58-Y65 HydrophobicContact CD2-CG 4.16Å; Y58-Y65 AromaticContact CE2-CD2 3.51Å; Y58-Y65 HydrophobicContact CE2-CD2 3.51Å; Y58-Y65 HydrophobicContact CE2-CE2 4.08Å; Y58-Y65 AromaticContact CE2-CG 3.77Å; Y58-Y65 HydrophobicContact CE2-CG 3.77Å; I61-Y65 HydrophobicContact CG2-CE2 3.76Å; S63-Y65 WeakPolarHBondContact O-CD2 3.22Å; S63-Y65 WeakPolarHBondContact O-CE2 3.36Å; Y65-L215 CarbonylContact C-O 3.44Å; Y65-L215 VanDerWaalsContact CA-O 3.3Å; Y65-L215 WeakPolarHBondContact CA-O 3.26Å; Y65-L215 HydrophobicContact CD1-CB 3.59Å; Y65-L215 HydrophobicContact CE1-CB 4.27Å; Y65-H216 AromaticContact CE1-CD2 3.68Å; Y65-H216 AromaticContact CE1-NE2 3.41Å; Y65-H216 WeakPolarHBondContact CE1-NE2 3.49Å; Y65-H216 AromaticContact CZ-NE2 3.83Å |
| 66 | G | 96.2 | Very high | 95.9 | Very high | 1 Ų | 1 | 46.3 Ų | 46.3 | 1% | 0.01 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 107.7 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | L53 Y54 K210 L215 | L53-G66 VanDerWaalsContact CD1-C 3.43Å; Y54-G66 WeakPolarHBondContact O-CA 3.45Å; G66-K210 WeakPolarHBondContact O-CE 3.14Å; G66-L215 PolarHBondContact N-O 3.21Å |
| 67 | Q | 95.4 | Very high | 95.9 | Very high | 3 Ų | 3 | 52.9 Ų | 52.9 | 1% | 0.014 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 130.3 | -171.4 | -170.7 | 61.4 | 71.7 | 0 | 0 | 112.5 | Y54 V56 L69 D72 I75 | Y54-Q67 PolarHBondContact N-O 2.99Å; Y54-Q67 PolarHBondContact O-N 2.83Å; V56-Q67 HydrophobicContact CG2-CB 4.06Å; Q67-L69 HydrophobicContact CB-CD2 4.17Å; Q67-L69 HydrophobicContact CG-CD2 3.72Å; Q67-L69 HydrophobicContact CG-CG 4.4Å; Q67-L69 PolarHBondContact O-N 3.01Å; Q67-D72 VanDerWaalsContact NE2-CB 3.3Å; Q67-D72 VanDerWaalsContact NE2-CG 3.3Å; Q67-D72 PolarHBondContact NE2-OD2 3.08Å; Q67-I75 HydrophobicContact CG-CD1 3.7Å |
| 68 | E | 94.8 | Very high | 95.9 | Very high | 70 Ų | 70 | 53.9 Ų | 53.9 | 33% | 0.327 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 83.4 | 171.1 | -56 | -167.4 | 162.7 | 0 | 0 | 110.8 | N50 S52 L53 H70 S71 D72 | N50-E68 PolarHBondContact ND2-OE1 2.9Å; S52-E68 VanDerWaalsContact O-CA 3.26Å; S52-E68 WeakPolarHBondContact O-CA 3.44Å; L53-E68 HydrophobicContact CB-CG 4.34Å; L53-E68 HydrophobicContact CD1-CG 3.76Å; E68-H70 PolarHBondContact O-N 2.97Å; E68-S71 WeakPolarHBondContact CB-OG 3.21Å; E68-S71 PolarHBondContact O-N 3.22Å; E68-S71 PolarHBondContact OE2-OG 3.19Å; E68-D72 WeakPolarHBondContact O-CB 3.25Å; E68-D72 PolarHBondContact O-N 2.85Å |
| 69 | L | 95.5 | Very high | 95.9 | Very high | 4 Ų | 4 | 59.4 Ų | 59.4 | 2% | 0.021 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -25.4 | -165 | -67.7 | 175.1 | 0 | 0 | 0 | 115.3 | I20 I25 Y27 I43 Y54 V56 Q67 I75 L78 | I20-L69 HydrophobicContact CD1-CD1 4.26Å; I25-L69 HydrophobicContact CD1-CD1 3.86Å; I25-L69 HydrophobicContact CD1-CD2 3.92Å; Y27-L69 HydrophobicContact CE1-CD2 4.16Å; I43-L69 HydrophobicContact CD1-CD1 3.58Å; I43-L69 HydrophobicContact CG1-CD1 4.13Å; Y54-L69 HydrophobicContact CD1-CD1 4.45Å; Y54-L69 HydrophobicContact CD2-CB 3.98Å; Y54-L69 HydrophobicContact CD2-CD1 3.65Å; Y54-L69 HydrophobicContact CD2-CG 3.77Å; Y54-L69 HydrophobicContact CE2-CB 4.28Å; Y54-L69 HydrophobicContact CE2-CD1 4.26Å; Y54-L69 HydrophobicContact CE2-CG 4.5Å; Y54-L69 HydrophobicContact CG-CD1 3.74Å; Y54-L69 HydrophobicContact CG-CG 4.22Å; V56-L69 HydrophobicContact CG2-CD1 4.45Å; V56-L69 HydrophobicContact CG2-CD2 4.25Å; Q67-L69 HydrophobicContact CB-CD2 4.17Å; Q67-L69 HydrophobicContact CG-CD2 3.72Å; Q67-L69 HydrophobicContact CG-CG 4.4Å; Q67-L69 PolarHBondContact O-N 3.01Å; L69-I75 HydrophobicContact CD2-CD1 3.93Å; L69-L78 HydrophobicContact CB-CD2 4.03Å |
| 70 | H | 94.2 | Very high | 95.9 | Very high | 113 Ų | 113 | 57.8 Ų | 57.8 | 52% | 0.523 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.9 | -15.7 | -175.3 | -61.4 | -65 | 0 | 0 | 0 | 114 | Y54 E68 | Y54-H70 AromaticContact CE2-CD2 3.99Å; E68-H70 PolarHBondContact O-N 2.97Å |
| 71 | S | 94.1 | Very high | 95.7 | Very high | 65 Ų | 65 | 56.6 Ų | 56.6 | 46% | 0.455 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.3 | -17.5 | -176 | 45.9 | 0 | 0 | 0 | 0 | 113.4 | E68 E73 | E68-S71 WeakPolarHBondContact CB-OG 3.21Å; E68-S71 PolarHBondContact O-N 3.22Å; E68-S71 PolarHBondContact OE2-OG 3.19Å; S71-E73 PolarHBondContact O-N 2.86Å |
| 72 | D | 94.9 | Very high | 94.8 | Very high | 30 Ų | 30 | 60.4 Ų | 60.4 | 16% | 0.16 | 31% | 0.312 | C | S | . | . | trans | -72.5 | 113.5 | 178.3 | -164.3 | -42.4 | 0 | 0 | 0 | 111.1 | Q67 E68 R74 I75 | Q67-D72 VanDerWaalsContact NE2-CB 3.3Å; Q67-D72 VanDerWaalsContact NE2-CG 3.3Å; Q67-D72 PolarHBondContact NE2-OD2 3.08Å; E68-D72 WeakPolarHBondContact O-CB 3.25Å; E68-D72 PolarHBondContact O-N 2.85Å; D72-R74 PolarHBondContact O-N 2.81Å; D72-R74 VanDerWaalsContact O-N 3.13Å; D72-R74 WeakPolarHBondContact OD1-CB 3.29Å; D72-R74 WeakPolarHBondContact OD1-CG 3.08Å; D72-R74 IonicContact OD1-CZ 3.71Å; D72-R74 PolarHBondContact OD1-N 2.78Å; D72-R74 IonicContact OD1-NE 3.64Å; D72-R74 PolarHBondContact OD1-NE 2.88Å; D72-R74 IonicContact OD1-NH2 2.8Å; D72-R74 IonicContact OD2-CZ 3.44Å; D72-R74 IonicContact OD2-NE 3.21Å; D72-R74 PolarHBondContact OD2-NE 2.67Å; D72-R74 IonicContact OD2-NH2 2.69Å; D72-R74 PolarHBondContact OD2-NH2 2.99Å; D72-I75 HydrophobicContact CB-CD1 3.99Å; D72-I75 HydrophobicContact CB-CG1 4.15Å; D72-I75 WeakPolarHBondContact O-CB 3.02Å; D72-I75 PolarHBondContact O-N 3.31Å | ||
| 73 | E | 95.3 | Very high | 93.5 | Very high | 184 Ų | 184 | 63.9 Ų | 63.9 | 86% | 0.86 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -19.1 | -177.7 | -59.6 | -174.3 | 168.8 | 0 | 0 | 113.6 | S71 I75 | S71-E73 PolarHBondContact O-N 2.86Å; E73-I75 PolarHBondContact O-N 2.93Å |
| 74 | R | 96.4 | Very high | 92.3 | Very high | 56 Ų | 56 | 68.8 Ų | 68.8 | 21% | 0.211 | 35% | 0.345 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | -17.9 | 176.1 | -58.5 | 172.8 | -72.2 | -178.4 | -2.6 | 111.9 | W29 K30 E31 D72 | W29-R74 CarbonylContact C-O 3.59Å; W29-R74 WeakPolarHBondContact CA-O 3.48Å; W29-R74 HydrophobicContact CD2-CB 4.06Å; W29-R74 HydrophobicContact CE3-CB 3.89Å; W29-R74 HydrophobicContact CH2-CB 3.83Å; W29-R74 HydrophobicContact CH2-CG 4.42Å; W29-R74 HydrophobicContact CZ2-CB 3.96Å; W29-R74 HydrophobicContact CZ2-CG 4.36Å; W29-R74 HydrophobicContact CZ3-CB 3.77Å; K30-R74 PolarHBondContact N-O 3.46Å; K30-R74 WeakPolarHBondContact O-CB 3.34Å; K30-R74 WeakPolarHBondContact O-CG 3.37Å; E31-R74 WeakPolarHBondContact OE1-CD 2.98Å; E31-R74 IonicContact OE1-NH1 3.81Å; E31-R74 VanDerWaalsContact OE2-CD 3.29Å; E31-R74 WeakPolarHBondContact OE2-CD 3.09Å; E31-R74 IonicContact OE2-NH1 3.82Å; E31-R74 PolarHBondContact OE2-NH1 2.71Å; D72-R74 PolarHBondContact O-N 2.81Å; D72-R74 VanDerWaalsContact O-N 3.13Å; D72-R74 WeakPolarHBondContact OD1-CB 3.29Å; D72-R74 WeakPolarHBondContact OD1-CG 3.08Å; D72-R74 IonicContact OD1-CZ 3.71Å; D72-R74 PolarHBondContact OD1-N 2.78Å; D72-R74 IonicContact OD1-NE 3.64Å; D72-R74 PolarHBondContact OD1-NE 2.88Å; D72-R74 IonicContact OD1-NH2 2.8Å; D72-R74 IonicContact OD2-CZ 3.44Å; D72-R74 IonicContact OD2-NE 3.21Å; D72-R74 PolarHBondContact OD2-NE 2.67Å; D72-R74 IonicContact OD2-NH2 2.69Å; D72-R74 PolarHBondContact OD2-NH2 2.99Å |
| 75 | I | 96.9 | Very high | 91 | Very high | 20 Ų | 20 | 70.8 Ų | 70.8 | 10% | 0.103 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 120.4 | 179.4 | -63.3 | 177.8 | 0 | 0 | 0 | 110.2 | Y27 W29 Q67 L69 D72 E73 L78 | Y27-I75 HydrophobicContact CD2-CG1 4.2Å; Y27-I75 HydrophobicContact CD2-CG2 3.98Å; Y27-I75 HydrophobicContact CE2-CD1 4.41Å; Y27-I75 HydrophobicContact CE2-CG1 4.08Å; Y27-I75 HydrophobicContact CG-CG2 3.91Å; W29-I75 HydrophobicContact CE3-CG1 4.02Å; W29-I75 HydrophobicContact CZ3-CG1 3.94Å; Q67-I75 HydrophobicContact CG-CD1 3.7Å; L69-I75 HydrophobicContact CD2-CD1 3.93Å; D72-I75 HydrophobicContact CB-CD1 3.99Å; D72-I75 HydrophobicContact CB-CG1 4.15Å; D72-I75 WeakPolarHBondContact O-CB 3.02Å; D72-I75 PolarHBondContact O-N 3.31Å; E73-I75 PolarHBondContact O-N 2.93Å; I75-L78 HydrophobicContact CG2-CB 4.13Å |
| 76 | L | 97 | Very high | 89.5 | Confident | 58 Ų | 58 | 74.3 Ų | 74.3 | 30% | 0.304 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 136 | 179.8 | -55.9 | 179.3 | 0 | 0 | 0 | 110.5 | Y27 G28 K30 V36 L78 | Y27-L76 WeakPolarHBondContact CB-O 3.31Å; G28-L76 PolarHBondContact N-O 3.13Å; G28-L76 PolarHBondContact O-N 2.94Å; K30-L76 HydrophobicContact CB-CD1 3.94Å; V36-L76 HydrophobicContact CG1-CD1 4.22Å; V36-L76 HydrophobicContact CG2-CD1 3.9Å; L76-L78 PolarHBondContact O-N 2.7Å |
| 77 | N | 96 | Very high | 87.9 | Confident | 137 Ų | 137 | 79.7 Ų | 79.7 | 73% | 0.733 | 41% | 0.406 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 53.1 | 47.3 | 171.8 | -59.5 | -51.1 | 0 | 0 | 0 | 114.2 | K79 | N77-K79 PolarHBondContact O-N 3.1Å |
| 78 | L | 97.2 | Very high | 86.5 | Confident | 49 Ų | 49 | 85.2 Ų | 85.2 | 26% | 0.257 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -54.2 | 124.1 | 175.8 | 179.6 | 65.4 | 0 | 0 | 0 | 111.5 | I25 Y27 L69 I75 L76 | I25-L78 HydrophobicContact CB-CD1 4.24Å; I25-L78 HydrophobicContact CD1-CD1 4.41Å; Y27-L78 HydrophobicContact CD1-CD1 3.64Å; Y27-L78 HydrophobicContact CE1-CD1 4.33Å; Y27-L78 HydrophobicContact CG-CD1 4.36Å; L69-L78 HydrophobicContact CB-CD2 4.03Å; I75-L78 HydrophobicContact CG2-CB 4.13Å; L76-L78 PolarHBondContact O-N 2.7Å |
| 79 | K | 95.9 | Very high | 85.3 | Confident | 129 Ų | 129 | 90 Ų | 90 | 56% | 0.561 | 46% | 0.458 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 125.6 | 174.6 | -66 | 171.9 | -172 | 174.2 | 0 | 109.6 | I25 S26 N77 | I25-K79 CarbonylContact C-O 3.54Å; I25-K79 VanDerWaalsContact CA-O 3.26Å; I25-K79 WeakPolarHBondContact CA-O 3.45Å; S26-K79 PolarHBondContact N-O 2.98Å; S26-K79 PolarHBondContact O-N 2.87Å; N77-K79 PolarHBondContact O-N 3.1Å |
| 80 | V | 94.4 | Very high | 84.1 | Confident | 40 Ų | 40 | 91.1 Ų | 91.1 | 24% | 0.242 | 46% | 0.464 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 120 | 166.4 | -174.4 | 0 | 0 | 0 | 0 | 107.8 | I20 C23 I25 | I20-V80 HydrophobicContact CG2-CG1 4.27Å; I20-V80 HydrophobicContact CG2-CG2 4.02Å; C23-V80 HydrophobicContact CB-CG1 3.69Å; I25-V80 HydrophobicContact CG2-CG2 4.29Å |
| 81 | L | 90.7 | Very high | 83.2 | Confident | 53 Ų | 53 | 91.3 Ų | 91.3 | 28% | 0.277 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 142.6 | -178.6 | -55.7 | -178.4 | 0 | 0 | 0 | 109.4 | R24 H83 | R24-L81 HydrophobicContact CB-CB 4.03Å; R24-L81 HydrophobicContact CB-CD1 4.03Å; R24-L81 HydrophobicContact CB-CG 4.4Å; R24-L81 WeakPolarHBondContact O-CB 3.17Å; R24-L81 PolarHBondContact O-N 2.59Å; L81-H83 PolarHBondContact O-N 2.93Å; L81-H83 VanDerWaalsContact O-N 3.16Å |
| 82 | P | 76.7 | Confident | 82.7 | Confident | 135 Ų | 135 | 90.9 Ų | 90.9 | 88% | 0.877 | 45% | 0.453 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.4 | -16.6 | -174.4 | 25.2 | -33.5 | 0 | 0 | 0 | 113.9 | K84 | P82-K84 PolarHBondContact O-N 3.25Å; P82-K84 VanDerWaalsContact O-N 3.12Å |
| 83 | H | 70.9 | Confident | 82.4 | Confident | 140 Ų | 140 | 93.6 Ų | 93.6 | 65% | 0.648 | 47% | 0.47 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 102.3 | 176 | -118.7 | -49 | 0 | 0 | 0 | 110 | R24 L81 | R24-H83 PolarHBondContact N-O 2.74Å; L81-H83 PolarHBondContact O-N 2.93Å; L81-H83 VanDerWaalsContact O-N 3.16Å |
| 84 | K | 71.4 | Confident | 82.1 | Confident | 118 Ų | 118 | 92.5 Ų | 92.5 | 51% | 0.513 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 133.8 | 153.4 | -76.4 | -169.5 | 173.4 | -168.4 | 0 | 107.7 | P82 V86 | P82-K84 PolarHBondContact O-N 3.25Å; P82-K84 VanDerWaalsContact O-N 3.12Å; K84-V86 PolarHBondContact O-N 2.88Å |
| 85 | V | 70.4 | Confident | 81.8 | Confident | 41 Ų | 41 | 90.9 Ų | 90.9 | 25% | 0.248 | 46% | 0.46 | C | S | . | . | P | Polyproline II helix | trans | -64.3 | 128.5 | 177.8 | 179.1 | 0 | 0 | 0 | 0 | 108.2 | G22 R24 I42 F87 L129 | G22-V85 PolarHBondContact O-N 3.46Å; R24-V85 HydrophobicContact CG-CG2 4.04Å; I42-V85 HydrophobicContact CD1-CB 4Å; I42-V85 HydrophobicContact CD1-CG2 3.47Å; I42-V85 VanDerWaalsContact CD1-CG2 3.47Å; I42-V85 HydrophobicContact CG1-CG2 4.17Å; V85-F87 WeakPolarHBondContact O-CD1 3.39Å; V85-F87 VanDerWaalsContact O-CE1 3.3Å; V85-F87 WeakPolarHBondContact O-CE1 3.3Å; V85-F87 PolarHBondContact O-N 2.95Å; V85-L129 HydrophobicContact CG1-CD2 3.76Å |
| 86 | V | 64.8 | Low | 81.6 | Confident | 115 Ų | 115 | 90 Ų | 90 | 70% | 0.697 | 46% | 0.456 | S | S | * | . | P | Polyproline II helix | trans | -72.4 | 128.5 | 179.7 | -179.8 | 0 | 0 | 0 | 0 | 108 | K84 L88 | K84-V86 PolarHBondContact O-N 2.88Å; V86-L88 PolarHBondContact O-N 3.36Å |
| 87 | F | 63.3 | Low | 81.2 | Confident | 113 Ų | 113 | 91.1 Ų | 91.1 | 50% | 0.496 | 47% | 0.469 | S | S | . | . | trans | -76.2 | 109.6 | -178.7 | -47.9 | -48.3 | 0 | 0 | 0 | 109.1 | V85 F128 | V85-F87 WeakPolarHBondContact O-CD1 3.39Å; V85-F87 VanDerWaalsContact O-CE1 3.3Å; V85-F87 WeakPolarHBondContact O-CE1 3.3Å; V85-F87 PolarHBondContact O-N 2.95Å; F87-F128 HydrophobicContact CD1-CB 3.43Å; F87-F128 VanDerWaalsContact CD1-CB 3.43Å; F87-F128 HydrophobicContact CD1-CD2 4.02Å; F87-F128 HydrophobicContact CD1-CG 4.06Å; F87-F128 WeakPolarHBondContact CD1-O 3.45Å; F87-F128 HydrophobicContact CE1-CB 3.26Å; F87-F128 AromaticContact CE1-CD2 3.51Å; F87-F128 HydrophobicContact CE1-CD2 3.51Å; F87-F128 AromaticContact CE1-CG 3.49Å; F87-F128 HydrophobicContact CE1-CG 3.49Å; F87-F128 VanDerWaalsContact CE1-CG 3.49Å; F87-F128 HydrophobicContact CG-CB 4.22Å; F87-F128 HydrophobicContact CZ-CB 3.9Å; F87-F128 HydrophobicContact CZ-CG 4.2Å | ||
| 88 | L | 66.2 | Low | 81 | Confident | 120 Ų | 120 | 87 Ų | 87 | 63% | 0.628 | 45% | 0.454 | S | S | * | . | P | Polyproline II helix | trans | -72.6 | 145.6 | 168.4 | -78 | 156.7 | 0 | 0 | 0 | 108.9 | V86 Q130 | V86-L88 PolarHBondContact O-N 3.36Å; L88-Q130 VanDerWaalsContact O-CB 3.29Å; L88-Q130 WeakPolarHBondContact O-CB 3.35Å; L88-Q130 VanDerWaalsContact O-CD 3.24Å; L88-Q130 PolarHBondContact O-OE1 3.21Å |
| 89 | Q | 69.4 | Low | 80.8 | Confident | 171 Ų | 171 | 84.7 Ų | 84.7 | 80% | 0.799 | 44% | 0.442 | S | S | * | . | P | Polyproline II helix | trans | -68.9 | 139.8 | 170.9 | -75.5 | -172.4 | -16.2 | 0 | 0 | 109.9 | R91 Q130 | Q89-R91 PolarHBondContact O-N 2.89Å; Q89-Q130 VanDerWaalsContact C-OE1 3.25Å |
| 90 | V | 69 | Low | 80.6 | Confident | 26 Ų | 26 | 80.5 Ų | 80.5 | 16% | 0.158 | 43% | 0.427 | C | S | . | . | P | Polyproline II helix | trans | -55.3 | 124.7 | 174.7 | -172.7 | 0 | 0 | 0 | 0 | 107.4 | D92 V93 A96 Q130 L149 | V90-D92 VanDerWaalsContact C-N 3.31Å; V90-D92 WeakPolarHBondContact CG1-O 3.29Å; V90-D92 PolarHBondContact O-N 3.38Å; V90-V93 HydrophobicContact CB-CG2 3.95Å; V90-V93 HydrophobicContact CG1-CG2 4.27Å; V90-V93 HydrophobicContact CG2-CG2 4.49Å; V90-A96 HydrophobicContact CG1-CB 3.88Å; V90-Q130 HydrophobicContact CB-CB 4.32Å; V90-Q130 HydrophobicContact CG2-CB 3.57Å; V90-Q130 HydrophobicContact CG2-CG 3.71Å; V90-Q130 VanDerWaalsContact CG2-OE1 3.29Å; V90-L149 HydrophobicContact CG1-CD1 4.33Å |
| 91 | R | 75.7 | Confident | 80.4 | Confident | 118 Ų | 118 | 79.8 Ų | 79.8 | 45% | 0.445 | 42% | 0.424 | S | S | . | . | S | Bend | trans | -68.1 | -30.9 | 180 | -68.2 | 176.4 | -72.9 | 162.9 | 0.6 | 112.9 | Q89 D131 D150 | Q89-R91 PolarHBondContact O-N 2.89Å; R91-D131 IonicContact CZ-OD1 3.59Å; R91-D131 IonicContact NE-OD1 3.51Å; R91-D131 PolarHBondContact NE-OD1 2.94Å; R91-D131 IonicContact NE-OD2 2.93Å; R91-D131 IonicContact NH2-OD1 3.72Å; R91-D131 PolarHBondContact NH2-OD1 2.81Å; R91-D150 IonicContact CZ-OD1 3.55Å; R91-D150 VanDerWaalsContact CZ-OD1 3.22Å; R91-D150 IonicContact CZ-OD2 3.41Å; R91-D150 IonicContact NH1-OD1 3.31Å; R91-D150 PolarHBondContact NH1-OD1 2.93Å; R91-D150 IonicContact NH1-OD2 2.71Å; R91-D150 PolarHBondContact NH1-OD2 3.27Å; R91-D150 IonicContact NH2-OD1 3.43Å; R91-D150 PolarHBondContact NH2-OD1 2.77Å; R91-D150 IonicContact NH2-OD2 2.68Å; R91-D150 PolarHBondContact NH2-OD2 2.98Å |
| 92 | D | 85.2 | Confident | 80.5 | Confident | 56 Ų | 56 | 80.3 Ų | 80.3 | 30% | 0.299 | 42% | 0.422 | S | S | . | . | trans | -146.2 | 95.9 | 177.8 | -169.3 | -26.5 | 0 | 0 | 0 | 111 | V90 H94 L95 A96 | V90-D92 VanDerWaalsContact C-N 3.31Å; V90-D92 WeakPolarHBondContact CG1-O 3.29Å; V90-D92 PolarHBondContact O-N 3.38Å; D92-H94 VanDerWaalsContact C-N 3.32Å; D92-H94 PolarHBondContact O-N 3.44Å; D92-H94 PolarHBondContact OD1-N 2.69Å; D92-L95 HydrophobicContact CB-CB 4.03Å; D92-L95 VanDerWaalsContact CG-CB 3.41Å; D92-L95 PolarHBondContact OD1-N 2.77Å; D92-A96 VanDerWaalsContact O-CB 3.24Å; D92-A96 WeakPolarHBondContact O-CB 3.24Å; D92-A96 PolarHBondContact O-N 2.78Å | ||
| 93 | V | 86.7 | Confident | 81.3 | Confident | 86 Ų | 86 | 77.2 Ų | 77.2 | 52% | 0.521 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -66.6 | -34.5 | -176.8 | -179.9 | 0 | 0 | 0 | 0 | 111.8 | V90 S97 | V90-V93 HydrophobicContact CB-CG2 3.95Å; V90-V93 HydrophobicContact CG1-CG2 4.27Å; V90-V93 HydrophobicContact CG2-CG2 4.49Å; V93-S97 WeakPolarHBondContact O-CB 3.34Å; V93-S97 PolarHBondContact O-N 3.21Å; V93-S97 PolarHBondContact O-OG 3.01Å |
| 94 | H | 90.1 | Very high | 82.6 | Confident | 161 Ų | 161 | 70.5 Ų | 70.5 | 75% | 0.745 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -71.4 | -47.1 | -178.2 | -70.3 | -64.5 | 0 | 0 | 0 | 110.9 | D92 S97 A98 | D92-H94 VanDerWaalsContact C-N 3.32Å; D92-H94 PolarHBondContact O-N 3.44Å; D92-H94 PolarHBondContact OD1-N 2.69Å; H94-S97 PolarHBondContact O-N 3.2Å; H94-A98 WeakPolarHBondContact O-CB 3.43Å; H94-A98 PolarHBondContact O-N 2.58Å |
| 95 | L | 90.6 | Very high | 83.8 | Confident | 22 Ų | 22 | 68.8 Ų | 68.8 | 12% | 0.115 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -64.2 | -42.6 | 175.3 | -178.2 | 59.3 | 0 | 0 | 0 | 111.5 | D92 S97 A98 L99 L149 Y152 | D92-L95 HydrophobicContact CB-CB 4.03Å; D92-L95 VanDerWaalsContact CG-CB 3.41Å; D92-L95 PolarHBondContact OD1-N 2.77Å; L95-S97 VanDerWaalsContact C-N 3.31Å; L95-S97 PolarHBondContact O-N 3.47Å; L95-A98 PolarHBondContact O-N 3.38Å; L95-A98 VanDerWaalsContact O-N 3.15Å; L95-L99 HydrophobicContact CD1-CG 4.38Å; L95-L99 HydrophobicContact CG-CD1 4.37Å; L95-L99 WeakPolarHBondContact O-CG 3.39Å; L95-L99 PolarHBondContact O-N 3.41Å; L95-L149 HydrophobicContact CB-CD2 4.05Å; L95-L149 HydrophobicContact CD2-CD2 3.7Å; L95-L149 HydrophobicContact CG-CD2 3.61Å; L95-Y152 HydrophobicContact CD1-CD1 3.97Å; L95-Y152 HydrophobicContact CD1-CE1 3.84Å; L95-Y152 HydrophobicContact CD1-CE2 4.43Å; L95-Y152 HydrophobicContact CD1-CG 4.32Å; L95-Y152 HydrophobicContact CD2-CD1 3.58Å; L95-Y152 HydrophobicContact CD2-CE1 4.05Å; L95-Y152 HydrophobicContact CD2-CG 4.21Å; L95-Y152 HydrophobicContact CG-CD1 4.4Å |
| 96 | A | 91.7 | Very high | 85.1 | Confident | 2 Ų | 2 | 67 Ų | 67 | 2% | 0.017 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -57 | -45.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | V90 D92 L99 F133 L149 | V90-A96 HydrophobicContact CG1-CB 3.88Å; D92-A96 VanDerWaalsContact O-CB 3.24Å; D92-A96 WeakPolarHBondContact O-CB 3.24Å; D92-A96 PolarHBondContact O-N 2.78Å; A96-L99 PolarHBondContact O-N 2.8Å; A96-F133 HydrophobicContact CB-CE1 4.12Å; A96-F133 HydrophobicContact CB-CZ 3.71Å; A96-L149 HydrophobicContact CB-CD2 4.36Å |
| 97 | S | 89.7 | Confident | 86.6 | Confident | 81 Ų | 81 | 64.1 Ų | 64.1 | 57% | 0.566 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -66.5 | -38.1 | 177.4 | -55.7 | 0 | 0 | 0 | 0 | 111.9 | V93 H94 L95 L99 | V93-S97 WeakPolarHBondContact O-CB 3.34Å; V93-S97 PolarHBondContact O-N 3.21Å; V93-S97 PolarHBondContact O-OG 3.01Å; H94-S97 PolarHBondContact O-N 3.2Å; L95-S97 VanDerWaalsContact C-N 3.31Å; L95-S97 PolarHBondContact O-N 3.47Å; S97-L99 VanDerWaalsContact C-N 3.31Å; S97-L99 PolarHBondContact O-N 3.36Å |
| 98 | A | 90.9 | Very high | 88.1 | Confident | 52 Ų | 52 | 61.3 Ų | 61.3 | 43% | 0.43 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -70.3 | -24 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | H94 L95 R102 | H94-A98 WeakPolarHBondContact O-CB 3.43Å; H94-A98 PolarHBondContact O-N 2.58Å; L95-A98 PolarHBondContact O-N 3.38Å; L95-A98 VanDerWaalsContact O-N 3.15Å; A98-R102 WeakPolarHBondContact O-CG 3.39Å |
| 99 | L | 92.7 | Very high | 89.3 | Confident | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -77.3 | -32.4 | 177.6 | -78.2 | 171 | 0 | 0 | 0 | 113 | L95 A96 S97 C101 R102 V122 F133 L148 L149 L157 I159 | L95-L99 HydrophobicContact CD1-CG 4.38Å; L95-L99 HydrophobicContact CG-CD1 4.37Å; L95-L99 WeakPolarHBondContact O-CG 3.39Å; L95-L99 PolarHBondContact O-N 3.41Å; A96-L99 PolarHBondContact O-N 2.8Å; S97-L99 VanDerWaalsContact C-N 3.31Å; S97-L99 PolarHBondContact O-N 3.36Å; L99-C101 PolarHBondContact O-N 2.93Å; L99-R102 WeakPolarHBondContact O-CB 3.31Å; L99-R102 WeakPolarHBondContact O-CG 3.41Å; L99-R102 PolarHBondContact O-N 3.17Å; L99-R102 VanDerWaalsContact O-N 3.15Å; L99-V122 HydrophobicContact CB-CG1 4.46Å; L99-V122 WeakPolarHBondContact O-CB 3.32Å; L99-F133 HydrophobicContact CB-CE1 4.47Å; L99-F133 HydrophobicContact CD1-CZ 4.48Å; L99-L148 HydrophobicContact CD1-CB 4.27Å; L99-L149 HydrophobicContact CD1-CD2 3.75Å; L99-L157 HydrophobicContact CD2-CD2 3.87Å; L99-I159 HydrophobicContact CD2-CD1 3.87Å; L99-I159 HydrophobicContact CD2-CG1 3.85Å |
| 100 | V | 92.1 | Very high | 90.1 | Very high | 41 Ų | 41 | 56.5 Ų | 56.5 | 25% | 0.248 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | 135.7 | -174.2 | 175.8 | 0 | 0 | 0 | 0 | 111.1 | R102 A202 | V100-R102 PolarHBondContact O-N 2.99Å; V100-R102 VanDerWaalsContact O-N 3.16Å; V100-A202 HydrophobicContact CG1-CB 4.28Å |
| 101 | C | 90.4 | Very high | 91 | Very high | 25 Ų | 25 | 66.1 Ų | 66.1 | 17% | 0.169 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 60.3 | 13.7 | -176.9 | -74.3 | 0 | 0 | 0 | 0 | 116 | L99 V122 A202 | L99-C101 PolarHBondContact O-N 2.93Å; C101-V122 WeakPolarHBondContact CA-O 3.3Å; C101-V122 PolarHBondContact N-O 2.93Å; C101-A202 HydrophobicContact CB-CB 4.1Å; C101-A202 WeakPolarHBondContact SG-CB 3.02Å |
| 102 | R | 92.8 | Very high | 91.7 | Very high | 64 Ų | 64 | 66.6 Ų | 66.6 | 24% | 0.242 | 35% | 0.347 | C | S | . | . | trans | -85.7 | 142.9 | 172.4 | -58.4 | -59.9 | -73.7 | -167.4 | -10.4 | 111.7 | A98 L99 V100 V104 M121 V122 I159 E162 | A98-R102 WeakPolarHBondContact O-CG 3.39Å; L99-R102 WeakPolarHBondContact O-CB 3.31Å; L99-R102 WeakPolarHBondContact O-CG 3.41Å; L99-R102 PolarHBondContact O-N 3.17Å; L99-R102 VanDerWaalsContact O-N 3.15Å; V100-R102 PolarHBondContact O-N 2.99Å; V100-R102 VanDerWaalsContact O-N 3.16Å; R102-V104 HydrophobicContact CB-CG1 4.49Å; R102-M121 WeakPolarHBondContact O-CA 3.33Å; R102-V122 PolarHBondContact O-N 2.88Å; R102-I159 HydrophobicContact CB-CG2 4.06Å; R102-I159 HydrophobicContact CG-CG2 4.18Å; R102-E162 IonicContact CZ-OE1 3.04Å; R102-E162 IonicContact NE-OE1 2.59Å; R102-E162 IonicContact NH1-OE1 2.69Å; R102-E162 PolarHBondContact NH1-OE1 2.8Å; R102-E162 IonicContact NH1-OE2 3.25Å; R102-E162 PolarHBondContact NH1-OE2 2.91Å | ||
| 103 | E | 94.3 | Very high | 91.8 | Very high | 69 Ų | 69 | 65.8 Ų | 65.8 | 32% | 0.322 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 137.5 | 162.3 | -155.5 | -179.9 | 177.4 | 0 | 0 | 109.5 | G120 K138 I160 | E103-G120 WeakPolarHBondContact CA-O 3.48Å; E103-G120 WeakPolarHBondContact CG-O 3.41Å; E103-K138 WeakPolarHBondContact OE1-CE 3.28Å; E103-K138 IonicContact OE1-NZ 2.69Å; E103-K138 PolarHBondContact OE1-NZ 2.81Å; E103-I160 HydrophobicContact CB-CB 4.32Å; E103-I160 HydrophobicContact CB-CD1 4.5Å; E103-I160 HydrophobicContact CG-CD1 3.97Å; E103-I160 PolarHBondContact O-N 2.97Å |
| 104 | V | 96.5 | Very high | 91.9 | Very high | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 152.5 | -173.6 | -64.3 | 0 | 0 | 0 | 0 | 111.2 | R102 S119 G120 V122 I135 L157 H158 I159 | R102-V104 HydrophobicContact CB-CG1 4.49Å; V104-S119 CarbonylContact O-C 3.6Å; V104-S119 WeakPolarHBondContact O-CA 3.23Å; V104-G120 PolarHBondContact N-O 2.9Å; V104-G120 PolarHBondContact O-N 3.5Å; V104-V122 HydrophobicContact CG1-CG2 3.85Å; V104-V122 HydrophobicContact CG2-CG2 4.14Å; V104-I135 HydrophobicContact CG2-CD1 3.75Å; V104-L157 HydrophobicContact CB-CD1 3.91Å; V104-L157 HydrophobicContact CB-CG 4.41Å; V104-L157 HydrophobicContact CG1-CD1 4.35Å; V104-L157 HydrophobicContact CG1-CG 4.44Å; V104-L157 HydrophobicContact CG2-CD1 3.94Å; V104-H158 CarbonylContact C-O 3.48Å; V104-H158 WeakPolarHBondContact CA-O 3.4Å; V104-H158 WeakPolarHBondContact CB-O 3.26Å; V104-I159 HydrophobicContact CG1-CG1 4.47Å |
| 105 | Q | 97.4 | Very high | 91.9 | Very high | 81 Ų | 81 | 63 Ų | 63 | 38% | 0.379 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 122.3 | 156.4 | -74 | -173.2 | -24 | 0 | 0 | 108.3 | H158 I160 | Q105-H158 PolarHBondContact N-O 2.73Å; Q105-H158 PolarHBondContact O-N 3.06Å; Q105-I160 HydrophobicContact CG-CD1 3.88Å; Q105-I160 HydrophobicContact CG-CG1 4.16Å |
| 106 | H | 97.7 | Very high | 92 | Very high | 4 Ų | 4 | 65.2 Ų | 65.2 | 2% | 0.019 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 122.4 | 176.9 | -165.5 | -179.4 | 0 | 0 | 0 | 109.3 | F108 W118 Y137 D151 L157 | H106-F108 HydrophobicContact CB-CE2 3.91Å; H106-F108 HydrophobicContact CB-CZ 4.34Å; H106-F108 AromaticContact CE1-CE1 3.91Å; H106-F108 AromaticContact CE1-CZ 3.61Å; H106-F108 AromaticContact CG-CE2 3.75Å; H106-F108 AromaticContact CG-CZ 3.72Å; H106-F108 AromaticContact ND1-CE2 3.79Å; H106-F108 AromaticContact ND1-CZ 3.3Å; H106-F108 VanDerWaalsContact ND1-CZ 3.3Å; H106-F108 WeakPolarHBondContact ND1-CZ 3.47Å; H106-F108 WeakPolarHBondContact O-CD2 3.27Å; H106-W118 PolarHBondContact N-O 3.45Å; H106-W118 PolarHBondContact O-N 2.96Å; H106-Y137 HydrophobicContact CB-CE1 3.87Å; H106-Y137 AromaticContact ND1-CE1 3.91Å; H106-Y137 AromaticContact ND1-CZ 3.77Å; H106-Y137 PolarHBondContact ND1-OH 3.12Å; H106-D151 IonicContact CE1-OD2 3.5Å; H106-D151 IonicContact NE2-OD2 3.73Å; H106-L157 HydrophobicContact CB-CD1 3.71Å |
| 107 | K | 96.7 | Very high | 92.1 | Very high | 54 Ų | 54 | 68.6 Ų | 68.6 | 24% | 0.235 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 131.4 | -177.8 | -168.2 | 179.9 | -171.1 | -171.1 | 0 | 110.5 | E115 D116 N117 N156 | K107-E115 WeakPolarHBondContact CE-OE1 3.46Å; K107-E115 WeakPolarHBondContact CE-OE2 3.45Å; K107-E115 IonicContact NZ-OE1 3.27Å; K107-E115 PolarHBondContact NZ-OE1 2.95Å; K107-E115 IonicContact NZ-OE2 3.03Å; K107-E115 PolarHBondContact NZ-OE2 3.23Å; K107-D116 WeakPolarHBondContact CA-O 3.26Å; K107-N117 WeakPolarHBondContact CB-OD1 3.34Å; K107-N117 WeakPolarHBondContact CG-OD1 3.15Å; K107-N156 HydrophobicContact CB-CB 4.28Å; K107-N156 VanDerWaalsContact CB-O 3.27Å; K107-N156 WeakPolarHBondContact CB-O 3.5Å; K107-N156 PolarHBondContact N-O 3.39Å |
| 108 | F | 94.1 | Very high | 92.4 | Very high | 55 Ų | 55 | 67.7 Ų | 67.7 | 24% | 0.241 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 145.5 | 176.4 | -65.4 | -82.9 | 0 | 0 | 0 | 110.4 | H106 E115 D116 W118 Y137 | H106-F108 HydrophobicContact CB-CE2 3.91Å; H106-F108 HydrophobicContact CB-CZ 4.34Å; H106-F108 AromaticContact CE1-CE1 3.91Å; H106-F108 AromaticContact CE1-CZ 3.61Å; H106-F108 AromaticContact CG-CE2 3.75Å; H106-F108 AromaticContact CG-CZ 3.72Å; H106-F108 AromaticContact ND1-CE2 3.79Å; H106-F108 AromaticContact ND1-CZ 3.3Å; H106-F108 VanDerWaalsContact ND1-CZ 3.3Å; H106-F108 WeakPolarHBondContact ND1-CZ 3.47Å; H106-F108 WeakPolarHBondContact O-CD2 3.27Å; F108-E115 CarbonylContact O-C 3.6Å; F108-E115 WeakPolarHBondContact O-CA 3.47Å; F108-D116 PolarHBondContact N-O 2.95Å; F108-D116 PolarHBondContact O-N 3.18Å; F108-W118 HydrophobicContact CD2-CB 4.19Å; F108-W118 HydrophobicContact CD2-CD2 4.28Å; F108-W118 AromaticContact CD2-CG 3.94Å; F108-W118 HydrophobicContact CD2-CG 3.94Å; F108-W118 HydrophobicContact CE2-CB 3.93Å; F108-W118 HydrophobicContact CE2-CD2 4.23Å; F108-W118 HydrophobicContact CE2-CE3 4.45Å; F108-W118 HydrophobicContact CE2-CG 4Å; F108-Y137 HydrophobicContact CE2-CE1 4.17Å; F108-Y137 HydrophobicContact CZ-CE1 4.28Å; F108-Y137 HydrophobicContact CZ-CE2 4.33Å; F108-Y137 AromaticContact CZ-CZ 3.78Å; F108-Y137 WeakPolarHBondContact CZ-OH 3.38Å |
| 109 | E | 92.2 | Very high | 92.7 | Very high | 157 Ų | 157 | 67 Ų | 67 | 73% | 0.734 | 35% | 0.346 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 123.8 | 173.3 | -165.7 | -179.9 | 176.7 | 0 | 0 | 110.1 | ||
| 110 | G | 85.8 | Confident | 92.8 | Very high | 32 Ų | 32 | 67.1 Ų | 67.1 | 33% | 0.33 | 35% | 0.348 | S | S | . | . | trans | -73.6 | 166.7 | 173 | 0 | 0 | 0 | 0 | 0 | 112.2 | D112 G113 S114 | G110-D112 PolarHBondContact O-N 2.93Å; G110-D112 VanDerWaalsContact O-N 3.13Å; G110-G113 PolarHBondContact O-N 2.85Å; G110-S114 PolarHBondContact N-O 3.23Å | ||
| 111 | K | 87.4 | Confident | 92.9 | Very high | 229 Ų | 229 | 67 Ų | 67 | 100% | 0.996 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -22.4 | 179.8 | -67.1 | -176.8 | -179 | 177.9 | 0 | 113.9 | ||
| 112 | D | 90.7 | Very high | 93.2 | Very high | 128 Ų | 128 | 65.8 Ų | 65.8 | 68% | 0.684 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.4 | 4.5 | 177.5 | 60.8 | -13.2 | 0 | 0 | 0 | 113 | G110 S114 | G110-D112 PolarHBondContact O-N 2.93Å; G110-D112 VanDerWaalsContact O-N 3.13Å; D112-S114 VanDerWaalsContact C-N 3.26Å; D112-S114 VanDerWaalsContact OD1-CB 3.26Å; D112-S114 WeakPolarHBondContact OD1-CB 3.02Å; D112-S114 PolarHBondContact OD1-N 3.34Å; D112-S114 VanDerWaalsContact OD1-N 3.1Å; D112-S114 PolarHBondContact OD1-OG 3.24Å |
| 113 | G | 87.2 | Confident | 93.3 | Very high | 38 Ų | 38 | 63 Ų | 63 | 39% | 0.392 | 33% | 0.327 | S | S | . | . | S | Bend | trans | 78.5 | 5.5 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | G110 | G110-G113 PolarHBondContact O-N 2.85Š|
| 114 | S | 89.2 | Confident | 93.2 | Very high | 62 Ų | 62 | 61 Ų | 61 | 43% | 0.434 | 32% | 0.321 | S | S | . | . | trans | -67.5 | 137.9 | 173 | 62.7 | 0 | 0 | 0 | 0 | 110.4 | G110 D112 | G110-S114 PolarHBondContact N-O 3.23Å; D112-S114 VanDerWaalsContact C-N 3.26Å; D112-S114 VanDerWaalsContact OD1-CB 3.26Å; D112-S114 WeakPolarHBondContact OD1-CB 3.02Å; D112-S114 PolarHBondContact OD1-N 3.34Å; D112-S114 VanDerWaalsContact OD1-N 3.1Å; D112-S114 PolarHBondContact OD1-OG 3.24Å | ||
| 115 | E | 90.4 | Very high | 93 | Very high | 127 Ų | 127 | 64 Ų | 64 | 59% | 0.593 | 34% | 0.336 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 127.6 | 177.7 | -58.7 | -179.2 | 149.1 | 0 | 0 | 109.4 | K107 F108 | K107-E115 WeakPolarHBondContact CE-OE1 3.46Å; K107-E115 WeakPolarHBondContact CE-OE2 3.45Å; K107-E115 IonicContact NZ-OE1 3.27Å; K107-E115 PolarHBondContact NZ-OE1 2.95Å; K107-E115 IonicContact NZ-OE2 3.03Å; K107-E115 PolarHBondContact NZ-OE2 3.23Å; F108-E115 CarbonylContact O-C 3.6Å; F108-E115 WeakPolarHBondContact O-CA 3.47Å |
| 116 | D | 91.6 | Very high | 92.7 | Very high | 69 Ų | 69 | 60.3 Ų | 60.3 | 37% | 0.369 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 136.6 | 171.9 | -166.8 | 5 | 0 | 0 | 0 | 109.9 | K107 F108 W118 K139 | K107-D116 WeakPolarHBondContact CA-O 3.26Å; F108-D116 PolarHBondContact N-O 2.95Å; F108-D116 PolarHBondContact O-N 3.18Å; D116-W118 VanDerWaalsContact CG-NE1 3.31Å; D116-W118 PolarHBondContact OD2-NE1 3.38Å; D116-K139 IonicContact OD1-NZ 2.88Å; D116-K139 PolarHBondContact OD1-NZ 3.44Å; D116-K139 IonicContact OD2-NZ 3.56Å; D116-K139 PolarHBondContact OD2-NZ 2.79Å |
| 117 | N | 93.8 | Very high | 91.9 | Very high | 72 Ų | 72 | 63.7 Ų | 63.7 | 39% | 0.385 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 118.2 | 178.3 | -71.3 | -56.5 | 0 | 0 | 0 | 109.2 | K107 | K107-N117 WeakPolarHBondContact CB-OD1 3.34Å; K107-N117 WeakPolarHBondContact CG-OD1 3.15Å |
| 118 | W | 96.6 | Very high | 91.2 | Very high | 63 Ų | 63 | 63.1 Ų | 63.1 | 24% | 0.239 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 119.7 | -179.4 | -72.8 | 31.2 | 0 | 0 | 0 | 109.2 | H106 F108 D116 Y137 D140 | H106-W118 PolarHBondContact N-O 3.45Å; H106-W118 PolarHBondContact O-N 2.96Å; F108-W118 HydrophobicContact CD2-CB 4.19Å; F108-W118 HydrophobicContact CD2-CD2 4.28Å; F108-W118 AromaticContact CD2-CG 3.94Å; F108-W118 HydrophobicContact CD2-CG 3.94Å; F108-W118 HydrophobicContact CE2-CB 3.93Å; F108-W118 HydrophobicContact CE2-CD2 4.23Å; F108-W118 HydrophobicContact CE2-CE3 4.45Å; F108-W118 HydrophobicContact CE2-CG 4Å; D116-W118 VanDerWaalsContact CG-NE1 3.31Å; D116-W118 PolarHBondContact OD2-NE1 3.38Å; W118-Y137 HydrophobicContact CB-CD1 3.84Å; W118-Y137 HydrophobicContact CB-CE1 4.36Å; W118-Y137 HydrophobicContact CB-CG 4.36Å; W118-Y137 HydrophobicContact CE3-CD1 4.27Å; W118-Y137 AromaticContact CE3-CD2 3.81Å; W118-Y137 HydrophobicContact CE3-CD2 3.81Å; W118-Y137 HydrophobicContact CE3-CE2 4.47Å; W118-Y137 AromaticContact CE3-CG 3.7Å; W118-Y137 HydrophobicContact CE3-CG 3.7Å; W118-Y137 HydrophobicContact CZ3-CD2 4.22Å; W118-Y137 HydrophobicContact CZ3-CG 4.47Å; W118-D140 HydrophobicContact CH2-CB 4.45Å; W118-D140 HydrophobicContact CZ3-CB 3.91Å |
| 119 | S | 96.3 | Very high | 90.8 | Very high | 36 Ų | 36 | 61.4 Ų | 61.4 | 25% | 0.252 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 129.2 | 169.2 | -57.6 | 0 | 0 | 0 | 0 | 109.8 | V104 Y137 K138 | V104-S119 CarbonylContact O-C 3.6Å; V104-S119 WeakPolarHBondContact O-CA 3.23Å; S119-Y137 WeakPolarHBondContact O-CA 3.25Å; S119-K138 PolarHBondContact O-N 3.09Å |
| 120 | G | 95.6 | Very high | 90.2 | Very high | 4 Ų | 4 | 57.1 Ų | 57.1 | 4% | 0.041 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | -175 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | E103 V104 S136 | E103-G120 WeakPolarHBondContact CA-O 3.48Å; E103-G120 WeakPolarHBondContact CG-O 3.41Å; V104-G120 PolarHBondContact N-O 2.9Å; V104-G120 PolarHBondContact O-N 3.5Å; G120-S136 CarbonylContact C-O 3.06Å; G120-S136 WeakPolarHBondContact CA-O 3.18Å |
| 121 | M | 95.3 | Very high | 90.1 | Very high | 37 Ų | 37 | 56.1 Ų | 56.1 | 18% | 0.182 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 128.1 | 176.8 | -179.9 | 172.1 | 66.2 | 0 | 0 | 109.6 | R102 L123 I135 S136 V206 | R102-M121 WeakPolarHBondContact O-CA 3.33Å; M121-L123 HydrophobicContact CB-CD2 4.48Å; M121-L123 HydrophobicContact CE-CD2 3.53Å; M121-L123 HydrophobicContact CG-CD2 4.26Å; M121-L123 PolarHBondContact O-N 2.95Å; M121-I135 WeakPolarHBondContact O-CA 3.48Å; M121-I135 WeakPolarHBondContact O-CG1 3.43Å; M121-S136 PolarHBondContact N-O 2.8Å; M121-S136 PolarHBondContact O-N 3.09Å; M121-V206 HydrophobicContact CE-CB 4.12Å; M121-V206 HydrophobicContact CE-CG1 3.77Å; M121-V206 HydrophobicContact CE-CG2 3.4Å |
| 122 | V | 95.8 | Very high | 90.4 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 124.1 | 172.4 | -175.8 | 0 | 0 | 0 | 0 | 107.6 | L99 C101 R102 V104 F133 I135 L148 | L99-V122 HydrophobicContact CB-CG1 4.46Å; L99-V122 WeakPolarHBondContact O-CB 3.32Å; C101-V122 WeakPolarHBondContact CA-O 3.3Å; C101-V122 PolarHBondContact N-O 2.93Å; R102-V122 PolarHBondContact O-N 2.88Å; V104-V122 HydrophobicContact CG1-CG2 3.85Å; V104-V122 HydrophobicContact CG2-CG2 4.14Å; V122-F133 HydrophobicContact CG1-CB 4.16Å; V122-F133 HydrophobicContact CG1-CD1 3.99Å; V122-F133 HydrophobicContact CG1-CG 4.44Å; V122-I135 HydrophobicContact CG2-CD1 4.3Å; V122-L148 HydrophobicContact CB-CD1 4.37Å; V122-L148 HydrophobicContact CG1-CD1 3.96Å; V122-L148 HydrophobicContact CG2-CD1 3.57Å |
| 123 | L | 94.7 | Very high | 90.6 | Very high | 7 Ų | 7 | 42.3 Ų | 42.3 | 4% | 0.037 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | -46.1 | -170.1 | -54.1 | 175.3 | 0 | 0 | 0 | 111.8 | M121 Y134 L143 V200 V206 V219 | M121-L123 HydrophobicContact CB-CD2 4.48Å; M121-L123 HydrophobicContact CE-CD2 3.53Å; M121-L123 HydrophobicContact CG-CD2 4.26Å; M121-L123 PolarHBondContact O-N 2.95Å; L123-Y134 PolarHBondContact N-O 2.89Å; L123-L143 HydrophobicContact CD1-CD1 3.49Å; L123-L143 VanDerWaalsContact CD1-CD1 3.49Å; L123-V200 HydrophobicContact CB-CG1 4.35Å; L123-V200 HydrophobicContact CB-CG2 4.34Å; L123-V200 HydrophobicContact CD2-CG2 4.31Å; L123-V200 WeakPolarHBondContact O-CG1 3.38Å; L123-V206 HydrophobicContact CD2-CG1 4.21Å; L123-V219 HydrophobicContact CD1-CB 4.47Å; L123-V219 HydrophobicContact CD1-CG1 3.89Å; L123-V219 HydrophobicContact CD1-CG2 3.85Å; L123-V219 HydrophobicContact CD2-CG1 4.09Å |
| 124 | A | 92.7 | Very high | 91.1 | Very high | 25 Ų | 25 | 41.6 Ų | 41.6 | 21% | 0.207 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -167.3 | 159.4 | -178 | 0 | 0 | 0 | 0 | 0 | 110 | F133 Y134 | A124-F133 CarbonylContact O-C 3.53Å; A124-F133 WeakPolarHBondContact O-CA 3.2Å; A124-Y134 HydrophobicContact CB-CD2 4.26Å; A124-Y134 PolarHBondContact O-N 3.45Å |
| 125 | Q | 91.9 | Very high | 91.5 | Very high | 65 Ų | 65 | 38.6 Ų | 38.6 | 30% | 0.304 | 20% | 0.196 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 140.8 | 163.1 | -165.5 | 174.6 | 30.4 | 0 | 0 | 109.3 | Q130 F133 | Q125-Q130 PolarHBondContact NE2-O 3.02Å; Q125-F133 HydrophobicContact CB-CD1 4.24Å; Q125-F133 HydrophobicContact CB-CE1 4.16Å; Q125-F133 HydrophobicContact CG-CD1 4.4Å; Q125-F133 HydrophobicContact CG-CE1 4.11Å; Q125-F133 HydrophobicContact CG-CZ 4.33Å |
| 126 | V | 91.2 | Very high | 91.8 | Very high | 3 Ų | 3 | 33 Ų | 33 | 2% | 0.018 | 17% | 0.171 | C | C | . | . | P | Polyproline II helix | trans | -68.6 | 127.4 | 175.9 | -178.2 | 0 | 0 | 0 | 0 | 107.9 | L44 F128 L129 Y132 Y134 V145 | L44-V126 HydrophobicContact CD2-CG1 4.1Å; V126-F128 PolarHBondContact O-N 2.81Å; V126-L129 HydrophobicContact CB-CB 4.13Å; V126-L129 HydrophobicContact CG1-CB 3.96Å; V126-L129 HydrophobicContact CG1-CD1 4.19Å; V126-L129 HydrophobicContact CG1-CG 4.37Å; V126-Y132 PolarHBondContact N-O 2.91Å; V126-Y134 HydrophobicContact CB-CE2 4.26Å; V126-Y134 HydrophobicContact CG1-CE2 4.31Å; V126-Y134 HydrophobicContact CG2-CD1 4.2Å; V126-Y134 HydrophobicContact CG2-CD2 3.97Å; V126-Y134 HydrophobicContact CG2-CE1 4.09Å; V126-Y134 HydrophobicContact CG2-CE2 3.89Å; V126-Y134 HydrophobicContact CG2-CG 4.14Å; V126-V145 HydrophobicContact CG2-CG1 4.36Å; V126-V145 HydrophobicContact CG2-CG2 3.59Å |
| 127 | P | 80.7 | Confident | 92.1 | Very high | 74 Ų | 74 | 30 Ų | 30 | 48% | 0.481 | 16% | 0.155 | S | C | . | . | S | Bend | trans | -52.1 | 135.8 | 175.3 | -26 | 34.7 | 0 | 0 | 0 | 109 | L129 | P127-L129 PolarHBondContact O-N 3.22Š|
| 128 | F | 82.6 | Confident | 92.1 | Very high | 42 Ų | 42 | 33.4 Ų | 33.4 | 18% | 0.184 | 17% | 0.166 | C | C | . | . | S | Bend | trans | 63.7 | -22.4 | 173 | 70.8 | -106.7 | 0 | 0 | 0 | 117.9 | V21 I42 L44 F87 V126 Q130 | V21-F128 HydrophobicContact CG1-CD1 4.47Å; V21-F128 HydrophobicContact CG1-CE1 3.48Å; V21-F128 VanDerWaalsContact CG1-CE1 3.48Å; V21-F128 HydrophobicContact CG1-CZ 3.95Å; I42-F128 HydrophobicContact CD1-CE2 4.13Å; L44-F128 WeakPolarHBondContact O-CE1 3.42Å; L44-F128 WeakPolarHBondContact O-CZ 3.19Å; F87-F128 HydrophobicContact CD1-CB 3.43Å; F87-F128 VanDerWaalsContact CD1-CB 3.43Å; F87-F128 HydrophobicContact CD1-CD2 4.02Å; F87-F128 HydrophobicContact CD1-CG 4.06Å; F87-F128 WeakPolarHBondContact CD1-O 3.45Å; F87-F128 HydrophobicContact CE1-CB 3.26Å; F87-F128 AromaticContact CE1-CD2 3.51Å; F87-F128 HydrophobicContact CE1-CD2 3.51Å; F87-F128 AromaticContact CE1-CG 3.49Å; F87-F128 HydrophobicContact CE1-CG 3.49Å; F87-F128 VanDerWaalsContact CE1-CG 3.49Å; F87-F128 HydrophobicContact CG-CB 4.22Å; F87-F128 HydrophobicContact CZ-CB 3.9Å; F87-F128 HydrophobicContact CZ-CG 4.2Å; V126-F128 PolarHBondContact O-N 2.81Å; F128-Q130 PolarHBondContact O-N 3Å |
| 129 | L | 85.3 | Confident | 91.9 | Very high | 20 Ų | 20 | 36.6 Ų | 36.6 | 11% | 0.105 | 18% | 0.181 | C | C | . | . | trans | -90.8 | 76.4 | 165.1 | -69.1 | -176.8 | 0 | 0 | 0 | 109.3 | I42 L44 V85 V126 P127 D131 Y132 | I42-L129 HydrophobicContact CD1-CD1 3.98Å; I42-L129 HydrophobicContact CD1-CD2 4.17Å; I42-L129 HydrophobicContact CD1-CG 4.32Å; L44-L129 HydrophobicContact CD2-CD1 3.78Å; V85-L129 HydrophobicContact CG1-CD2 3.76Å; V126-L129 HydrophobicContact CB-CB 4.13Å; V126-L129 HydrophobicContact CG1-CB 3.96Å; V126-L129 HydrophobicContact CG1-CD1 4.19Å; V126-L129 HydrophobicContact CG1-CG 4.37Å; P127-L129 PolarHBondContact O-N 3.22Å; L129-D131 PolarHBondContact O-N 3.24Å; L129-D131 VanDerWaalsContact O-N 3.1Å; L129-Y132 HydrophobicContact CB-CD2 3.83Å; L129-Y132 HydrophobicContact CB-CG 4.24Å; L129-Y132 HydrophobicContact CD1-CD2 4.27Å; L129-Y132 HydrophobicContact CD1-CG 4.46Å; L129-Y132 HydrophobicContact CG-CD2 4.47Å; L129-Y132 PolarHBondContact O-N 3.47Å | ||
| 130 | Q | 78.6 | Confident | 91.9 | Very high | 66 Ų | 66 | 37.4 Ų | 37.4 | 31% | 0.308 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -22.9 | -168.3 | -78.3 | -174.5 | 17.1 | 0 | 0 | 115.3 | L88 Q89 V90 Q125 F128 | L88-Q130 VanDerWaalsContact O-CB 3.29Å; L88-Q130 WeakPolarHBondContact O-CB 3.35Å; L88-Q130 VanDerWaalsContact O-CD 3.24Å; L88-Q130 PolarHBondContact O-OE1 3.21Å; Q89-Q130 VanDerWaalsContact C-OE1 3.25Å; V90-Q130 HydrophobicContact CB-CB 4.32Å; V90-Q130 HydrophobicContact CG2-CB 3.57Å; V90-Q130 HydrophobicContact CG2-CG 3.71Å; V90-Q130 VanDerWaalsContact CG2-OE1 3.29Å; Q125-Q130 PolarHBondContact NE2-O 3.02Å; F128-Q130 PolarHBondContact O-N 3Å |
| 131 | D | 85.3 | Confident | 91.9 | Very high | 12 Ų | 12 | 38.9 Ų | 38.9 | 6% | 0.064 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | -5.1 | 173.9 | -70.5 | -52.7 | 0 | 0 | 0 | 113.8 | R91 L129 Q147 | R91-D131 IonicContact CZ-OD1 3.59Å; R91-D131 IonicContact NE-OD1 3.51Å; R91-D131 PolarHBondContact NE-OD1 2.94Å; R91-D131 IonicContact NE-OD2 2.93Å; R91-D131 IonicContact NH2-OD1 3.72Å; R91-D131 PolarHBondContact NH2-OD1 2.81Å; L129-D131 PolarHBondContact O-N 3.24Å; L129-D131 VanDerWaalsContact O-N 3.1Å; D131-Q147 VanDerWaalsContact O-CA 3.27Å; D131-Q147 WeakPolarHBondContact O-CA 3.5Å |
| 132 | Y | 93 | Very high | 92 | Very high | 66 Ų | 66 | 37.4 Ų | 37.4 | 26% | 0.259 | 19% | 0.185 | S | C | . | . | trans | -107.7 | 145.3 | -173.5 | -72 | -94 | 0 | 0 | 0 | 112.6 | V126 L129 V145 Y146 Q147 | V126-Y132 PolarHBondContact N-O 2.91Å; L129-Y132 HydrophobicContact CB-CD2 3.83Å; L129-Y132 HydrophobicContact CB-CG 4.24Å; L129-Y132 HydrophobicContact CD1-CD2 4.27Å; L129-Y132 HydrophobicContact CD1-CG 4.46Å; L129-Y132 HydrophobicContact CG-CD2 4.47Å; L129-Y132 PolarHBondContact O-N 3.47Å; Y132-V145 HydrophobicContact CD1-CG1 3.42Å; Y132-V145 VanDerWaalsContact CD1-CG1 3.42Å; Y132-V145 HydrophobicContact CE1-CG1 4.25Å; Y132-V145 HydrophobicContact CG-CG1 4.09Å; Y132-Y146 CarbonylContact C-O 3.56Å; Y132-Y146 WeakPolarHBondContact CA-O 3.2Å; Y132-Q147 HydrophobicContact CD1-CG 3.69Å; Y132-Q147 HydrophobicContact CD2-CG 4.08Å; Y132-Q147 HydrophobicContact CE1-CG 3.39Å; Y132-Q147 HydrophobicContact CE2-CG 3.82Å; Y132-Q147 HydrophobicContact CG-CG 4.05Å; Y132-Q147 VanDerWaalsContact CZ-CG 3.46Å | ||
| 133 | F | 95.6 | Very high | 92.1 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 139.9 | -177.7 | -63.2 | -100.7 | 0 | 0 | 0 | 110.5 | A96 L99 V122 A124 Q125 V145 Y146 L148 L149 | A96-F133 HydrophobicContact CB-CE1 4.12Å; A96-F133 HydrophobicContact CB-CZ 3.71Å; L99-F133 HydrophobicContact CB-CE1 4.47Å; L99-F133 HydrophobicContact CD1-CZ 4.48Å; V122-F133 HydrophobicContact CG1-CB 4.16Å; V122-F133 HydrophobicContact CG1-CD1 3.99Å; V122-F133 HydrophobicContact CG1-CG 4.44Å; A124-F133 CarbonylContact O-C 3.53Å; A124-F133 WeakPolarHBondContact O-CA 3.2Å; Q125-F133 HydrophobicContact CB-CD1 4.24Å; Q125-F133 HydrophobicContact CB-CE1 4.16Å; Q125-F133 HydrophobicContact CG-CD1 4.4Å; Q125-F133 HydrophobicContact CG-CE1 4.11Å; Q125-F133 HydrophobicContact CG-CZ 4.33Å; F133-V145 VanDerWaalsContact O-CA 3.31Å; F133-V145 WeakPolarHBondContact O-CA 3.07Å; F133-Y146 PolarHBondContact N-O 2.85Å; F133-Y146 PolarHBondContact O-N 3.32Å; F133-L148 HydrophobicContact CB-CB 4.36Å; F133-L148 HydrophobicContact CB-CD1 3.51Å; F133-L148 HydrophobicContact CB-CG 3.88Å; F133-L148 HydrophobicContact CD2-CB 3.81Å; F133-L148 HydrophobicContact CD2-CD1 4.46Å; F133-L148 HydrophobicContact CD2-CG 4.22Å; F133-L148 HydrophobicContact CE2-CB 4.46Å; F133-L148 HydrophobicContact CG-CB 4.17Å; F133-L148 HydrophobicContact CG-CD1 4Å; F133-L148 HydrophobicContact CG-CG 4.24Å; F133-L149 HydrophobicContact CE2-CD1 4.17Å; F133-L149 HydrophobicContact CE2-CD2 4.32Å; F133-L149 HydrophobicContact CE2-CG 3.73Å; F133-L149 HydrophobicContact CZ-CD1 4.28Å; F133-L149 HydrophobicContact CZ-CD2 4.12Å; F133-L149 HydrophobicContact CZ-CG 3.97Å |
| 134 | Y | 96.3 | Very high | 92.2 | Very high | 23 Ų | 23 | 38.4 Ų | 38.4 | 9% | 0.09 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 130.6 | 164 | -69.9 | -60.3 | 0 | 0 | 0 | 109.9 | L44 V64 L123 A124 V126 L143 Y144 V145 | L44-Y134 VanDerWaalsContact CB-OH 3.29Å; L44-Y134 WeakPolarHBondContact CB-OH 3.45Å; L44-Y134 HydrophobicContact CD1-CE1 3.76Å; V64-Y134 HydrophobicContact CG2-CD1 4.25Å; V64-Y134 HydrophobicContact CG2-CE1 3.98Å; L123-Y134 PolarHBondContact N-O 2.89Å; A124-Y134 HydrophobicContact CB-CD2 4.26Å; A124-Y134 PolarHBondContact O-N 3.45Å; V126-Y134 HydrophobicContact CB-CE2 4.26Å; V126-Y134 HydrophobicContact CG1-CE2 4.31Å; V126-Y134 HydrophobicContact CG2-CD1 4.2Å; V126-Y134 HydrophobicContact CG2-CD2 3.97Å; V126-Y134 HydrophobicContact CG2-CE1 4.09Å; V126-Y134 HydrophobicContact CG2-CE2 3.89Å; V126-Y134 HydrophobicContact CG2-CG 4.14Å; Y134-L143 HydrophobicContact CD1-CD1 3.84Å; Y134-L143 HydrophobicContact CD1-CD2 3.98Å; Y134-L143 HydrophobicContact CD1-CG 3.96Å; Y134-L143 HydrophobicContact CE1-CD2 4.12Å; Y134-L143 HydrophobicContact CG-CD1 4.19Å; Y134-Y144 WeakPolarHBondContact CA-O 3.4Å; Y134-V145 HydrophobicContact CD1-CG2 3.41Å; Y134-V145 VanDerWaalsContact CD1-CG2 3.41Å; Y134-V145 HydrophobicContact CE1-CG2 3.5Å; Y134-V145 HydrophobicContact CG-CG2 4.33Å |
| 135 | I | 97.5 | Very high | 92.4 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 151.9 | 178.2 | -177.6 | 168.4 | 0 | 0 | 0 | 109.5 | V104 M121 V122 Y137 Y144 Y146 L148 | V104-I135 HydrophobicContact CG2-CD1 3.75Å; M121-I135 WeakPolarHBondContact O-CA 3.48Å; M121-I135 WeakPolarHBondContact O-CG1 3.43Å; V122-I135 HydrophobicContact CG2-CD1 4.3Å; I135-Y137 HydrophobicContact CD1-CE1 3.65Å; I135-Y137 HydrophobicContact CG1-CE1 4.01Å; I135-Y137 HydrophobicContact CG2-CE2 4.5Å; I135-Y144 PolarHBondContact N-O 3.48Å; I135-Y144 PolarHBondContact O-N 2.78Å; I135-Y146 HydrophobicContact CG2-CD2 3.69Å; I135-Y146 HydrophobicContact CG2-CE2 4.43Å; I135-L148 HydrophobicContact CB-CD1 4.34Å; I135-L148 HydrophobicContact CD1-CD1 4.12Å; I135-L148 HydrophobicContact CD1-CD2 4.26Å |
| 136 | S | 97.6 | Very high | 92.6 | Very high | 10 Ų | 10 | 35.9 Ų | 35.9 | 7% | 0.07 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 155.5 | 169.6 | -168.7 | 0 | 0 | 0 | 0 | 110.3 | G120 M121 V142 | G120-S136 CarbonylContact C-O 3.06Å; G120-S136 WeakPolarHBondContact CA-O 3.18Å; M121-S136 PolarHBondContact N-O 2.8Å; M121-S136 PolarHBondContact O-N 3.09Å; S136-V142 WeakPolarHBondContact CA-O 3.34Å; S136-V142 VanDerWaalsContact CB-O 3.28Å; S136-V142 WeakPolarHBondContact CB-O 3.21Å; S136-V142 PolarHBondContact OG-O 2.91Å |
| 137 | Y | 96.9 | Very high | 92.8 | Very high | 5 Ų | 5 | 39 Ų | 39 | 2% | 0.02 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 149.5 | -173.4 | -55.3 | -75 | 0 | 0 | 0 | 111.4 | H106 F108 W118 S119 I135 K139 D140 P141 Y144 Y146 | H106-Y137 HydrophobicContact CB-CE1 3.87Å; H106-Y137 AromaticContact ND1-CE1 3.91Å; H106-Y137 AromaticContact ND1-CZ 3.77Å; H106-Y137 PolarHBondContact ND1-OH 3.12Å; F108-Y137 HydrophobicContact CE2-CE1 4.17Å; F108-Y137 HydrophobicContact CZ-CE1 4.28Å; F108-Y137 HydrophobicContact CZ-CE2 4.33Å; F108-Y137 AromaticContact CZ-CZ 3.78Å; F108-Y137 WeakPolarHBondContact CZ-OH 3.38Å; W118-Y137 HydrophobicContact CB-CD1 3.84Å; W118-Y137 HydrophobicContact CB-CE1 4.36Å; W118-Y137 HydrophobicContact CB-CG 4.36Å; W118-Y137 HydrophobicContact CE3-CD1 4.27Å; W118-Y137 AromaticContact CE3-CD2 3.81Å; W118-Y137 HydrophobicContact CE3-CD2 3.81Å; W118-Y137 HydrophobicContact CE3-CE2 4.47Å; W118-Y137 AromaticContact CE3-CG 3.7Å; W118-Y137 HydrophobicContact CE3-CG 3.7Å; W118-Y137 HydrophobicContact CZ3-CD2 4.22Å; W118-Y137 HydrophobicContact CZ3-CG 4.47Å; S119-Y137 WeakPolarHBondContact O-CA 3.25Å; I135-Y137 HydrophobicContact CD1-CE1 3.65Å; I135-Y137 HydrophobicContact CG1-CE1 4.01Å; I135-Y137 HydrophobicContact CG2-CE2 4.5Å; Y137-K139 VanDerWaalsContact C-N 3.35Å; Y137-K139 PolarHBondContact O-N 3.45Å; Y137-D140 PolarHBondContact N-O 2.76Å; Y137-D140 CarbonylContact O-C 3.54Å; Y137-D140 PolarHBondContact O-N 2.9Å; Y137-P141 WeakPolarHBondContact O-CA 3.5Å; Y137-Y144 AromaticContact CD2-CD2 3.64Å; Y137-Y144 HydrophobicContact CD2-CD2 3.64Å; Y137-Y144 AromaticContact CD2-CE2 3.7Å; Y137-Y144 HydrophobicContact CD2-CE2 3.7Å; Y137-Y144 HydrophobicContact CD2-CG 4.39Å; Y137-Y144 HydrophobicContact CE2-CD1 4.49Å; Y137-Y144 AromaticContact CE2-CD2 3.58Å; Y137-Y144 HydrophobicContact CE2-CD2 3.58Å; Y137-Y144 AromaticContact CE2-CE2 4Å; Y137-Y144 HydrophobicContact CE2-CE2 4Å; Y137-Y144 AromaticContact CE2-CG 3.87Å; Y137-Y144 HydrophobicContact CE2-CG 3.87Å; Y137-Y146 HydrophobicContact CE2-CE2 4.18Å; Y137-Y146 WeakPolarHBondContact OH-CD2 3.22Å; Y137-Y146 VanDerWaalsContact OH-CE2 3.3Å; Y137-Y146 WeakPolarHBondContact OH-CE2 3.42Å |
| 138 | K | 94.1 | Very high | 93.5 | Very high | 143 Ų | 143 | 35.5 Ų | 35.5 | 62% | 0.622 | 16% | 0.163 | S | C | * | . | S | Bend | trans | -64.7 | -39.6 | 178.1 | -67.1 | -174.7 | -176.8 | 175.9 | 0 | 112.4 | E103 S119 D140 | E103-K138 WeakPolarHBondContact OE1-CE 3.28Å; E103-K138 IonicContact OE1-NZ 2.69Å; E103-K138 PolarHBondContact OE1-NZ 2.81Å; S119-K138 PolarHBondContact O-N 3.09Å; K138-D140 VanDerWaalsContact C-N 3.31Å |
| 139 | K | 93.4 | Very high | 94 | Very high | 130 Ų | 130 | 33.5 Ų | 33.5 | 57% | 0.565 | 15% | 0.154 | S | C | * | . | S | Bend | trans | -71.5 | -26.9 | 178.8 | -69.6 | -179.8 | 178.1 | 173.1 | 0 | 112.3 | D116 Y137 | D116-K139 IonicContact OD1-NZ 2.88Å; D116-K139 PolarHBondContact OD1-NZ 3.44Å; D116-K139 IonicContact OD2-NZ 3.56Å; D116-K139 PolarHBondContact OD2-NZ 2.79Å; Y137-K139 VanDerWaalsContact C-N 3.35Å; Y137-K139 PolarHBondContact O-N 3.45Å |
| 140 | D | 95.7 | Very high | 94.4 | Very high | 54 Ų | 54 | 34.3 Ų | 34.3 | 29% | 0.289 | 16% | 0.159 | S | C | . | . | S | Bend | trans | -143.2 | 93.6 | 179.7 | -166.6 | -6.9 | 0 | 0 | 0 | 110.1 | W118 Y137 K138 V142 Y144 | W118-D140 HydrophobicContact CH2-CB 4.45Å; W118-D140 HydrophobicContact CZ3-CB 3.91Å; Y137-D140 PolarHBondContact N-O 2.76Å; Y137-D140 CarbonylContact O-C 3.54Å; Y137-D140 PolarHBondContact O-N 2.9Å; K138-D140 VanDerWaalsContact C-N 3.31Å; D140-V142 PolarHBondContact O-N 3.16Å; D140-V142 WeakPolarHBondContact OD1-CG2 3.34Å; D140-Y144 PolarHBondContact OD2-OH 2.83Å |
| 141 | P | 95.6 | Very high | 95.2 | Very high | 35 Ų | 35 | 32.5 Ų | 32.5 | 23% | 0.227 | 15% | 0.151 | C | C | . | . | trans | -79.3 | 42.8 | -170.4 | 34.2 | -37 | 0 | 0 | 0 | 112.4 | Y137 Y218 V219 Y220 | Y137-P141 WeakPolarHBondContact O-CA 3.5Å; P141-Y218 HydrophobicContact CG-CD1 4.46Å; P141-Y218 CarbonylContact O-C 3.46Å; P141-Y218 WeakPolarHBondContact O-CA 3.43Å; P141-V219 WeakPolarHBondContact CB-O 3.25Å; P141-V219 PolarHBondContact O-N 3.37Å; P141-Y220 HydrophobicContact CB-CE1 4.33Å; P141-Y220 HydrophobicContact CG-CE1 4.22Å | ||
| 142 | V | 97.2 | Very high | 95.6 | Very high | 5 Ų | 5 | 36.5 Ų | 36.5 | 3% | 0.03 | 17% | 0.166 | C | C | . | . | B | Isolated β-bridge | trans | -97.1 | 154.5 | 173.3 | 173 | 0 | 0 | 0 | 0 | 109.6 | S136 D140 Y144 H216 I217 Y218 | S136-V142 WeakPolarHBondContact CA-O 3.34Å; S136-V142 VanDerWaalsContact CB-O 3.28Å; S136-V142 WeakPolarHBondContact CB-O 3.21Å; S136-V142 PolarHBondContact OG-O 2.91Å; D140-V142 PolarHBondContact O-N 3.16Å; D140-V142 WeakPolarHBondContact OD1-CG2 3.34Å; V142-Y144 HydrophobicContact CB-CE2 3.9Å; V142-Y144 HydrophobicContact CG1-CE2 4.29Å; V142-Y144 WeakPolarHBondContact O-CD2 3.17Å; V142-Y144 WeakPolarHBondContact O-CE2 3.3Å; V142-H216 HydrophobicContact CG1-CB 4.08Å; V142-H216 HydrophobicContact CG2-CB 4.23Å; V142-I217 CarbonylContact C-O 3.58Å; V142-I217 WeakPolarHBondContact CA-O 3.49Å; V142-Y218 HydrophobicContact CG2-CD1 4.19Å; V142-Y218 HydrophobicContact CG2-CE1 4Å |
| 143 | L | 97.8 | Very high | 95.7 | Very high | 7 Ų | 7 | 38.9 Ų | 38.9 | 4% | 0.037 | 18% | 0.178 | C | C | . | . | trans | -78.7 | 123.5 | 174.6 | -173.4 | 64.8 | 0 | 0 | 0 | 110.8 | V64 L123 Y134 I217 V219 | V64-L143 HydrophobicContact CB-CB 4.22Å; V64-L143 HydrophobicContact CB-CD2 3.88Å; V64-L143 HydrophobicContact CB-CG 3.94Å; V64-L143 HydrophobicContact CG1-CD2 3.9Å; V64-L143 HydrophobicContact CG2-CD2 4.25Å; V64-L143 HydrophobicContact CG2-CG 4.04Å; V64-L143 PolarHBondContact N-O 3.09Å; L123-L143 HydrophobicContact CD1-CD1 3.49Å; L123-L143 VanDerWaalsContact CD1-CD1 3.49Å; Y134-L143 HydrophobicContact CD1-CD1 3.84Å; Y134-L143 HydrophobicContact CD1-CD2 3.98Å; Y134-L143 HydrophobicContact CD1-CG 3.96Å; Y134-L143 HydrophobicContact CE1-CD2 4.12Å; Y134-L143 HydrophobicContact CG-CD1 4.19Å; L143-I217 HydrophobicContact CB-CB 3.91Å; L143-I217 HydrophobicContact CB-CG2 4.04Å; L143-I217 HydrophobicContact CD2-CB 4.14Å; L143-I217 HydrophobicContact CD2-CG2 3.95Å; L143-I217 PolarHBondContact N-O 2.58Å; L143-V219 HydrophobicContact CB-CG2 4.07Å; L143-V219 HydrophobicContact CD1-CG2 4.04Å | ||
| 144 | Y | 98.1 | Very high | 95.6 | Very high | 22 Ų | 22 | 45.3 Ų | 45.3 | 9% | 0.086 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 163.8 | 175.9 | -67.4 | -92.6 | 0 | 0 | 0 | 111.7 | D62 S63 Y134 I135 Y137 D140 V142 Y146 | D62-Y144 HydrophobicContact CB-CD1 4.11Å; D62-Y144 WeakPolarHBondContact O-CA 3.39Å; S63-Y144 VanDerWaalsContact OG-CE1 3.25Å; S63-Y144 WeakPolarHBondContact OG-CE1 3.39Å; Y134-Y144 WeakPolarHBondContact CA-O 3.4Å; I135-Y144 PolarHBondContact N-O 3.48Å; I135-Y144 PolarHBondContact O-N 2.78Å; Y137-Y144 AromaticContact CD2-CD2 3.64Å; Y137-Y144 HydrophobicContact CD2-CD2 3.64Å; Y137-Y144 AromaticContact CD2-CE2 3.7Å; Y137-Y144 HydrophobicContact CD2-CE2 3.7Å; Y137-Y144 HydrophobicContact CD2-CG 4.39Å; Y137-Y144 HydrophobicContact CE2-CD1 4.49Å; Y137-Y144 AromaticContact CE2-CD2 3.58Å; Y137-Y144 HydrophobicContact CE2-CD2 3.58Å; Y137-Y144 AromaticContact CE2-CE2 4Å; Y137-Y144 HydrophobicContact CE2-CE2 4Å; Y137-Y144 AromaticContact CE2-CG 3.87Å; Y137-Y144 HydrophobicContact CE2-CG 3.87Å; D140-Y144 PolarHBondContact OD2-OH 2.83Å; V142-Y144 HydrophobicContact CB-CE2 3.9Å; V142-Y144 HydrophobicContact CG1-CE2 4.29Å; V142-Y144 WeakPolarHBondContact O-CD2 3.17Å; V142-Y144 WeakPolarHBondContact O-CE2 3.3Å; Y144-Y146 AromaticContact CD1-CE2 3.93Å; Y144-Y146 HydrophobicContact CD1-CE2 3.93Å; Y144-Y146 HydrophobicContact CG-CE2 4.02Å |
| 145 | V | 96.7 | Very high | 95.6 | Very high | 1 Ų | 1 | 45.7 Ų | 45.7 | 1% | 0.006 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 122.5 | 171 | 153.6 | 0 | 0 | 0 | 0 | 111 | L44 K57 D62 V64 V126 Y132 F133 Y134 | L44-V145 HydrophobicContact CD1-CG2 3.93Å; K57-V145 HydrophobicContact CD-CB 4.33Å; K57-V145 HydrophobicContact CD-CG1 3.74Å; D62-V145 PolarHBondContact O-N 2.92Å; V64-V145 HydrophobicContact CG2-CB 4.11Å; V64-V145 HydrophobicContact CG2-CG2 3.66Å; V126-V145 HydrophobicContact CG2-CG1 4.36Å; V126-V145 HydrophobicContact CG2-CG2 3.59Å; Y132-V145 HydrophobicContact CD1-CG1 3.42Å; Y132-V145 VanDerWaalsContact CD1-CG1 3.42Å; Y132-V145 HydrophobicContact CE1-CG1 4.25Å; Y132-V145 HydrophobicContact CG-CG1 4.09Å; F133-V145 VanDerWaalsContact O-CA 3.31Å; F133-V145 WeakPolarHBondContact O-CA 3.07Å; Y134-V145 HydrophobicContact CD1-CG2 3.41Å; Y134-V145 VanDerWaalsContact CD1-CG2 3.41Å; Y134-V145 HydrophobicContact CE1-CG2 3.5Å; Y134-V145 HydrophobicContact CG-CG2 4.33Å |
| 146 | Y | 96.4 | Very high | 95.5 | Very high | 35 Ų | 35 | 47.9 Ų | 47.9 | 14% | 0.137 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 161.3 | 179.8 | -73.5 | -74 | 0 | 0 | 0 | 112.6 | D62 Y132 F133 I135 Y137 Y144 L148 | D62-Y146 HydrophobicContact CB-CE1 3.71Å; D62-Y146 HydrophobicContact CB-CE2 4.13Å; D62-Y146 VanDerWaalsContact CB-CZ 3.43Å; D62-Y146 WeakPolarHBondContact CB-OH 3.39Å; D62-Y146 WeakPolarHBondContact OD2-CE1 3.39Å; D62-Y146 PolarHBondContact OD2-OH 2.93Å; Y132-Y146 CarbonylContact C-O 3.56Å; Y132-Y146 WeakPolarHBondContact CA-O 3.2Å; F133-Y146 PolarHBondContact N-O 2.85Å; F133-Y146 PolarHBondContact O-N 3.32Å; I135-Y146 HydrophobicContact CG2-CD2 3.69Å; I135-Y146 HydrophobicContact CG2-CE2 4.43Å; Y137-Y146 HydrophobicContact CE2-CE2 4.18Å; Y137-Y146 WeakPolarHBondContact OH-CD2 3.22Å; Y137-Y146 VanDerWaalsContact OH-CE2 3.3Å; Y137-Y146 WeakPolarHBondContact OH-CE2 3.42Å; Y144-Y146 AromaticContact CD1-CE2 3.93Å; Y144-Y146 HydrophobicContact CD1-CE2 3.93Å; Y144-Y146 HydrophobicContact CG-CE2 4.02Å; Y146-L148 VanDerWaalsContact C-N 3.3Å; Y146-L148 PolarHBondContact O-N 3.15Å |
| 147 | Q | 94.1 | Very high | 95.5 | Very high | 70 Ų | 70 | 47.4 Ų | 47.4 | 33% | 0.327 | 23% | 0.227 | S | C | . | . | trans | -88.3 | 64.9 | 172.7 | -65 | -175.6 | -66.6 | 0 | 0 | 111.5 | D131 Y132 L149 D150 | D131-Q147 VanDerWaalsContact O-CA 3.27Å; D131-Q147 WeakPolarHBondContact O-CA 3.5Å; Y132-Q147 HydrophobicContact CD1-CG 3.69Å; Y132-Q147 HydrophobicContact CD2-CG 4.08Å; Y132-Q147 HydrophobicContact CE1-CG 3.39Å; Y132-Q147 HydrophobicContact CE2-CG 3.82Å; Y132-Q147 HydrophobicContact CG-CG 4.05Å; Y132-Q147 VanDerWaalsContact CZ-CG 3.46Å; Q147-L149 PolarHBondContact O-N 2.8Å; Q147-D150 PolarHBondContact O-N 2.98Å | ||
| 148 | L | 95.7 | Very high | 95.5 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -58.9 | -19.7 | -168.2 | -64.4 | -174.6 | 0 | 0 | 0 | 115.8 | L99 V122 F133 I135 Y146 D150 D151 Y152 L157 | L99-L148 HydrophobicContact CD1-CB 4.27Å; V122-L148 HydrophobicContact CB-CD1 4.37Å; V122-L148 HydrophobicContact CG1-CD1 3.96Å; V122-L148 HydrophobicContact CG2-CD1 3.57Å; F133-L148 HydrophobicContact CB-CB 4.36Å; F133-L148 HydrophobicContact CB-CD1 3.51Å; F133-L148 HydrophobicContact CB-CG 3.88Å; F133-L148 HydrophobicContact CD2-CB 3.81Å; F133-L148 HydrophobicContact CD2-CD1 4.46Å; F133-L148 HydrophobicContact CD2-CG 4.22Å; F133-L148 HydrophobicContact CE2-CB 4.46Å; F133-L148 HydrophobicContact CG-CB 4.17Å; F133-L148 HydrophobicContact CG-CD1 4Å; F133-L148 HydrophobicContact CG-CG 4.24Å; I135-L148 HydrophobicContact CB-CD1 4.34Å; I135-L148 HydrophobicContact CD1-CD1 4.12Å; I135-L148 HydrophobicContact CD1-CD2 4.26Å; Y146-L148 VanDerWaalsContact C-N 3.3Å; Y146-L148 PolarHBondContact O-N 3.15Å; L148-D150 VanDerWaalsContact C-N 3.33Å; L148-D151 WeakPolarHBondContact CA-OD2 3.27Å; L148-Y152 WeakPolarHBondContact O-CB 3.37Å; L148-Y152 PolarHBondContact O-N 3.05Å; L148-L157 HydrophobicContact CB-CD2 3.79Å; L148-L157 HydrophobicContact CD1-CD2 4.36Å; L148-L157 HydrophobicContact CD2-CD1 4.28Å; L148-L157 HydrophobicContact CD2-CD2 4.11Å; L148-L157 HydrophobicContact CG-CD2 4.3Å |
| 149 | L | 93.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -68.7 | -33.4 | 174.9 | -63.4 | 176.1 | 0 | 0 | 0 | 112.2 | V90 L95 A96 L99 F133 Q147 K153 | V90-L149 HydrophobicContact CG1-CD1 4.33Å; L95-L149 HydrophobicContact CB-CD2 4.05Å; L95-L149 HydrophobicContact CD2-CD2 3.7Å; L95-L149 HydrophobicContact CG-CD2 3.61Å; A96-L149 HydrophobicContact CB-CD2 4.36Å; L99-L149 HydrophobicContact CD1-CD2 3.75Å; F133-L149 HydrophobicContact CE2-CD1 4.17Å; F133-L149 HydrophobicContact CE2-CD2 4.32Å; F133-L149 HydrophobicContact CE2-CG 3.73Å; F133-L149 HydrophobicContact CZ-CD1 4.28Å; F133-L149 HydrophobicContact CZ-CD2 4.12Å; F133-L149 HydrophobicContact CZ-CG 3.97Å; Q147-L149 PolarHBondContact O-N 2.8Å; L149-K153 WeakPolarHBondContact O-CD 3.47Å; L149-K153 VanDerWaalsContact O-CG 3.26Å; L149-K153 WeakPolarHBondContact O-CG 3.32Å; L149-K153 PolarHBondContact O-N 2.96Å |
| 150 | D | 92.8 | Very high | 95.5 | Very high | 36 Ų | 36 | 43.2 Ų | 43.2 | 19% | 0.193 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -74.1 | -46.4 | 176.3 | -66.1 | -37.2 | 0 | 0 | 0 | 109.4 | R91 Q147 L148 Y152 K153 E154 | R91-D150 IonicContact CZ-OD1 3.55Å; R91-D150 VanDerWaalsContact CZ-OD1 3.22Å; R91-D150 IonicContact CZ-OD2 3.41Å; R91-D150 IonicContact NH1-OD1 3.31Å; R91-D150 PolarHBondContact NH1-OD1 2.93Å; R91-D150 IonicContact NH1-OD2 2.71Å; R91-D150 PolarHBondContact NH1-OD2 3.27Å; R91-D150 IonicContact NH2-OD1 3.43Å; R91-D150 PolarHBondContact NH2-OD1 2.77Å; R91-D150 IonicContact NH2-OD2 2.68Å; R91-D150 PolarHBondContact NH2-OD2 2.98Å; Q147-D150 PolarHBondContact O-N 2.98Å; L148-D150 VanDerWaalsContact C-N 3.33Å; D150-Y152 PolarHBondContact O-N 3.2Å; D150-K153 PolarHBondContact O-N 3.22Å; D150-E154 WeakPolarHBondContact O-CB 3.42Å; D150-E154 WeakPolarHBondContact O-CG 3.3Å; D150-E154 PolarHBondContact O-N 2.9Å |
| 151 | D | 95.5 | Very high | 95.1 | Very high | 29 Ų | 29 | 45.7 Ų | 45.7 | 16% | 0.155 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -56 | -40.2 | 175.7 | -55.6 | -40.4 | 0 | 0 | 0 | 111.7 | H106 L148 G155 N156 L157 | H106-D151 IonicContact CE1-OD2 3.5Å; H106-D151 IonicContact NE2-OD2 3.73Å; L148-D151 WeakPolarHBondContact CA-OD2 3.27Å; D151-G155 PolarHBondContact O-N 3.04Å; D151-N156 HydrophobicContact CB-CB 4.29Å; D151-N156 CarbonylContact O-C 3.51Å; D151-N156 WeakPolarHBondContact O-CA 3.36Å; D151-N156 PolarHBondContact O-N 3.02Å; D151-L157 HydrophobicContact CB-CB 3.88Å; D151-L157 PolarHBondContact O-N 3.48Å |
| 152 | Y | 94.7 | Very high | 94.2 | Very high | 96 Ų | 96 | 49.9 Ų | 49.9 | 38% | 0.376 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -64.8 | -44.5 | 175.5 | -175.6 | -91.2 | 0 | 0 | 0 | 112.7 | L95 L148 D150 E154 G155 L157 I159 | L95-Y152 HydrophobicContact CD1-CD1 3.97Å; L95-Y152 HydrophobicContact CD1-CE1 3.84Å; L95-Y152 HydrophobicContact CD1-CE2 4.43Å; L95-Y152 HydrophobicContact CD1-CG 4.32Å; L95-Y152 HydrophobicContact CD2-CD1 3.58Å; L95-Y152 HydrophobicContact CD2-CE1 4.05Å; L95-Y152 HydrophobicContact CD2-CG 4.21Å; L95-Y152 HydrophobicContact CG-CD1 4.4Å; L148-Y152 WeakPolarHBondContact O-CB 3.37Å; L148-Y152 PolarHBondContact O-N 3.05Å; D150-Y152 PolarHBondContact O-N 3.2Å; Y152-E154 VanDerWaalsContact C-N 3.32Å; Y152-E154 PolarHBondContact O-N 3.24Å; Y152-G155 PolarHBondContact O-N 3.46Å; Y152-L157 WeakPolarHBondContact CD2-O 3.34Å; Y152-I159 HydrophobicContact CE2-CD1 4.24Å; Y152-I159 HydrophobicContact CE2-CG1 4.33Å |
| 153 | K | 93.4 | Very high | 92.4 | Very high | 116 Ų | 116 | 55.5 Ų | 55.5 | 50% | 0.504 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -67.6 | -34.2 | -179.5 | -74.7 | 170.8 | -176.2 | 174.7 | 0 | 112.4 | L149 D150 G155 | L149-K153 WeakPolarHBondContact O-CD 3.47Å; L149-K153 VanDerWaalsContact O-CG 3.26Å; L149-K153 WeakPolarHBondContact O-CG 3.32Å; L149-K153 PolarHBondContact O-N 2.96Å; D150-K153 PolarHBondContact O-N 3.22Å; K153-G155 PolarHBondContact O-N 2.79Å |
| 154 | E | 94.9 | Very high | 90.2 | Very high | 134 Ų | 134 | 61.4 Ų | 61.4 | 63% | 0.626 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.2 | -8.1 | 177.4 | -67.6 | 176.2 | -176 | 0 | 0 | 112.6 | D150 Y152 N156 | D150-E154 WeakPolarHBondContact O-CB 3.42Å; D150-E154 WeakPolarHBondContact O-CG 3.3Å; D150-E154 PolarHBondContact O-N 2.9Å; Y152-E154 VanDerWaalsContact C-N 3.32Å; Y152-E154 PolarHBondContact O-N 3.24Å; E154-N156 VanDerWaalsContact C-N 3.33Å; E154-N156 PolarHBondContact OE2-ND2 2.74Å |
| 155 | G | 95.4 | Very high | 87.9 | Confident | 31 Ų | 31 | 67.5 Ų | 67.5 | 32% | 0.32 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.8 | 14.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | D151 Y152 K153 H158 | D151-G155 PolarHBondContact O-N 3.04Å; Y152-G155 PolarHBondContact O-N 3.46Å; K153-G155 PolarHBondContact O-N 2.79Å; G155-H158 PolarHBondContact O-CE1 2.69Å; G155-H158 PolarHBondContact O-NE2 2.91Å |
| 156 | N | 96.8 | Very high | 85.1 | Confident | 47 Ų | 47 | 72 Ų | 72 | 25% | 0.251 | 39% | 0.393 | S | S | . | . | trans | -87.3 | -14 | 176 | -64.5 | -36.4 | 0 | 0 | 0 | 112.6 | K107 D151 E154 | K107-N156 HydrophobicContact CB-CB 4.28Å; K107-N156 VanDerWaalsContact CB-O 3.27Å; K107-N156 WeakPolarHBondContact CB-O 3.5Å; K107-N156 PolarHBondContact N-O 3.39Å; D151-N156 HydrophobicContact CB-CB 4.29Å; D151-N156 CarbonylContact O-C 3.51Å; D151-N156 WeakPolarHBondContact O-CA 3.36Å; D151-N156 PolarHBondContact O-N 3.02Å; E154-N156 VanDerWaalsContact C-N 3.33Å; E154-N156 PolarHBondContact OE2-ND2 2.74Å | ||
| 157 | L | 97.5 | Very high | 82.4 | Confident | 0 Ų | 0 | 78.7 Ų | 78.7 | 0% | 0 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 126.7 | 176.5 | -168.7 | 77.1 | 0 | 0 | 0 | 111.3 | L99 V104 H106 L148 D151 Y152 | L99-L157 HydrophobicContact CD2-CD2 3.87Å; V104-L157 HydrophobicContact CB-CD1 3.91Å; V104-L157 HydrophobicContact CB-CG 4.41Å; V104-L157 HydrophobicContact CG1-CD1 4.35Å; V104-L157 HydrophobicContact CG1-CG 4.44Å; V104-L157 HydrophobicContact CG2-CD1 3.94Å; H106-L157 HydrophobicContact CB-CD1 3.71Å; L148-L157 HydrophobicContact CB-CD2 3.79Å; L148-L157 HydrophobicContact CD1-CD2 4.36Å; L148-L157 HydrophobicContact CD2-CD1 4.28Å; L148-L157 HydrophobicContact CD2-CD2 4.11Å; L148-L157 HydrophobicContact CG-CD2 4.3Å; D151-L157 HydrophobicContact CB-CB 3.88Å; D151-L157 PolarHBondContact O-N 3.48Å; Y152-L157 WeakPolarHBondContact CD2-O 3.34Å |
| 158 | H | 96.6 | Very high | 79.9 | Confident | 98 Ų | 98 | 79.8 Ų | 79.8 | 45% | 0.454 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 128.7 | 176.7 | -61.9 | -48.2 | 0 | 0 | 0 | 111.3 | V104 Q105 G155 I160 | V104-H158 CarbonylContact C-O 3.48Å; V104-H158 WeakPolarHBondContact CA-O 3.4Å; V104-H158 WeakPolarHBondContact CB-O 3.26Å; Q105-H158 PolarHBondContact N-O 2.73Å; Q105-H158 PolarHBondContact O-N 3.06Å; G155-H158 PolarHBondContact O-CE1 2.69Å; G155-H158 PolarHBondContact O-NE2 2.91Å; H158-I160 PolarHBondContact O-N 3.16Å |
| 159 | I | 95.5 | Very high | 77.5 | Confident | 47 Ų | 47 | 89.3 Ų | 89.3 | 24% | 0.241 | 48% | 0.482 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 123.9 | 171.3 | -61.3 | 172 | 0 | 0 | 0 | 108.2 | L99 R102 V104 Y152 | L99-I159 HydrophobicContact CD2-CD1 3.87Å; L99-I159 HydrophobicContact CD2-CG1 3.85Å; R102-I159 HydrophobicContact CB-CG2 4.06Å; R102-I159 HydrophobicContact CG-CG2 4.18Å; V104-I159 HydrophobicContact CG1-CG1 4.47Å; Y152-I159 HydrophobicContact CE2-CD1 4.24Å; Y152-I159 HydrophobicContact CE2-CG1 4.33Å |
| 160 | I | 92.4 | Very high | 75.2 | Confident | 44 Ų | 44 | 94.6 Ų | 94.6 | 23% | 0.226 | 52% | 0.519 | C | S | . | . | P | Polyproline II helix | trans | -76.5 | 127.7 | 173 | -55.6 | -179.1 | 0 | 0 | 0 | 107.6 | E103 Q105 H158 E162 | E103-I160 HydrophobicContact CB-CB 4.32Å; E103-I160 HydrophobicContact CB-CD1 4.5Å; E103-I160 HydrophobicContact CG-CD1 3.97Å; E103-I160 PolarHBondContact O-N 2.97Å; Q105-I160 HydrophobicContact CG-CD1 3.88Å; Q105-I160 HydrophobicContact CG-CG1 4.16Å; H158-I160 PolarHBondContact O-N 3.16Å; I160-E162 PolarHBondContact O-N 3.33Å |
| 161 | P | 86.3 | Confident | 73.1 | Confident | 107 Ų | 107 | 95.5 Ų | 95.5 | 70% | 0.695 | 54% | 0.537 | S | S | * | . | P | Polyproline II helix | trans | -60.2 | 126.8 | 174.1 | -21.1 | 32.1 | 0 | 0 | 0 | 110.2 | T163 | P161-T163 PolarHBondContact O-N 3.08Š|
| 162 | E | 76.9 | Confident | 71 | Confident | 123 Ų | 123 | 99.6 Ų | 99.6 | 58% | 0.575 | 56% | 0.559 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 126.1 | 173.3 | -76 | 168.4 | -167.3 | 0 | 0 | 109.3 | R102 I160 | R102-E162 IonicContact CZ-OE1 3.04Å; R102-E162 IonicContact NE-OE1 2.59Å; R102-E162 IonicContact NH1-OE1 2.69Å; R102-E162 PolarHBondContact NH1-OE1 2.8Å; R102-E162 IonicContact NH1-OE2 3.25Å; R102-E162 PolarHBondContact NH1-OE2 2.91Å; I160-E162 PolarHBondContact O-N 3.33Å |
| 163 | T | 60.3 | Low | 69.1 | Low | 122 Ų | 122 | 101.5 Ų | 101.5 | 75% | 0.748 | 58% | 0.576 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 135.5 | 160 | 41.6 | 0 | 0 | 0 | 0 | 107.5 | P161 L165 | P161-T163 PolarHBondContact O-N 3.08Å; T163-L165 PolarHBondContact O-N 3.18Å |
| 164 | P | 50.2 | Low | 67.4 | Low | 131 Ų | 131 | 98.3 Ų | 98.3 | 85% | 0.851 | 56% | 0.564 | S | S | * | * | trans | -58.3 | 107.7 | 177.3 | -18.5 | 29.5 | 0 | 0 | 0 | 108.5 | A166 | P164-A166 PolarHBondContact O-N 3.07Š| ||
| 165 | L | 49.9 | Very low | 66 | Low | 151 Ų | 151 | 96.1 Ų | 96.1 | 79% | 0.791 | 56% | 0.557 | S | S | * | * | trans | -68.2 | 118.8 | 176.9 | -166 | 76.5 | 0 | 0 | 0 | 107.1 | T163 E167 | T163-L165 PolarHBondContact O-N 3.18Å; L165-E167 PolarHBondContact O-N 2.73Å | ||
| 166 | A | 38 | Very low | 65 | Low | 94 Ų | 94 | 100.8 Ų | 100.8 | 78% | 0.777 | 57% | 0.569 | S | S | * | * | S | Bend | trans | -55.5 | 115.4 | 173 | 0 | 0 | 0 | 0 | 0 | 108.9 | P164 | P164-A166 PolarHBondContact O-N 3.07Š|
| 167 | E | 40.2 | Very low | 64.4 | Low | 176 Ų | 176 | 100.4 Ų | 100.4 | 82% | 0.822 | 57% | 0.566 | S | S | * | * | S | Bend | trans | 50.4 | 104.1 | 175.4 | -62.4 | -177.8 | 177.7 | 0 | 0 | 114.9 | L165 R169 | L165-E167 PolarHBondContact O-N 2.73Å; E167-R169 PolarHBondContact O-N 2.84Å |
| 168 | A | 41.6 | Very low | 63.9 | Low | 93 Ų | 93 | 102.6 Ų | 102.6 | 77% | 0.769 | 58% | 0.577 | S | S | * | * | trans | -46.8 | 103.1 | 160.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | S170 | A168-S170 PolarHBondContact O-N 2.85Š| ||
| 169 | R | 44.2 | Very low | 63.4 | Low | 201 Ų | 201 | 99 Ų | 99 | 76% | 0.758 | 57% | 0.567 | S | S | * | * | trans | -53.4 | 119.3 | 163.5 | -72 | -170.6 | 176.6 | -168.9 | -0.9 | 105 | E167 G171 | E167-R169 PolarHBondContact O-N 2.84Å; R169-G171 PolarHBondContact O-N 2.94Å | ||
| 170 | S | 45.8 | Very low | 63.2 | Low | 110 Ų | 110 | 98.8 Ų | 98.8 | 77% | 0.769 | 57% | 0.57 | S | S | * | * | trans | -40.9 | 116.3 | 175 | 51.2 | 0 | 0 | 0 | 0 | 107.3 | A168 D172 | A168-S170 PolarHBondContact O-N 2.85Å; S170-D172 PolarHBondContact O-N 2.92Å | ||
| 171 | G | 49.2 | Very low | 63.1 | Low | 55 Ų | 55 | 104.2 Ų | 104.2 | 57% | 0.567 | 59% | 0.587 | S | S | * | * | trans | -59.5 | 95.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 107.4 | R169 D173 | R169-G171 PolarHBondContact O-N 2.94Å; G171-D173 PolarHBondContact O-N 2.89Å | ||
| 172 | D | 51.1 | Low | 63.3 | Low | 116 Ų | 116 | 100.7 Ų | 100.7 | 62% | 0.62 | 56% | 0.564 | S | S | * | * | trans | -61.3 | 115.7 | 168.9 | -145 | 11.3 | 0 | 0 | 0 | 103.6 | S170 N174 | S170-D172 PolarHBondContact O-N 2.92Å; D172-N174 HydrophobicContact CB-CB 4.45Å; D172-N174 WeakPolarHBondContact CB-ND2 3.45Å; D172-N174 PolarHBondContact O-N 3.04Å; D172-N174 PolarHBondContact OD2-ND2 3Å | ||
| 173 | D | 55.5 | Low | 64 | Low | 135 Ų | 135 | 99.3 Ų | 99.3 | 72% | 0.722 | 56% | 0.557 | S | S | * | * | trans | -76.5 | 55.8 | -168.8 | -155.5 | 11.8 | 0 | 0 | 0 | 109.7 | G171 D175 K199 | G171-D173 PolarHBondContact O-N 2.89Å; D173-D175 PolarHBondContact O-N 2.73Å; D173-K199 IonicContact OD1-NZ 3.61Å | ||
| 174 | N | 57.6 | Low | 65.2 | Low | 50 Ų | 50 | 98.2 Ų | 98.2 | 27% | 0.267 | 54% | 0.54 | S | S | . | . | trans | -92.6 | 66.3 | -160.6 | -91.7 | -14.8 | 0 | 0 | 0 | 108.5 | D172 F176 Y207 | D172-N174 HydrophobicContact CB-CB 4.45Å; D172-N174 WeakPolarHBondContact CB-ND2 3.45Å; D172-N174 PolarHBondContact O-N 3.04Å; D172-N174 PolarHBondContact OD2-ND2 3Å; N174-F176 HydrophobicContact CB-CD1 3.24Å; N174-F176 HydrophobicContact CB-CE1 3.33Å; N174-F176 VanDerWaalsContact ND2-CE1 3.3Å; N174-F176 WeakPolarHBondContact ND2-CE1 3.49Å; N174-F176 PolarHBondContact O-N 3.19Å; N174-F176 VanDerWaalsContact OD1-CD1 3.27Å; N174-F176 WeakPolarHBondContact OD1-CD1 3.45Å; N174-Y207 PolarHBondContact O-OH 2.9Å | ||
| 175 | D | 66.2 | Low | 67 | Low | 87 Ų | 87 | 95.6 Ų | 95.6 | 47% | 0.465 | 52% | 0.522 | S | S | . | . | G | 310 helix | trans | -63.4 | -7.7 | 161.6 | -83.2 | 9.9 | 0 | 0 | 0 | 111.7 | D173 L177 I178 K199 | D173-D175 PolarHBondContact O-N 2.73Å; D175-L177 PolarHBondContact O-N 2.8Å; D175-L177 VanDerWaalsContact O-N 3.09Å; D175-I178 HydrophobicContact CB-CD1 4.3Å; D175-I178 WeakPolarHBondContact O-CB 2.96Å; D175-I178 WeakPolarHBondContact O-CG1 3.47Å; D175-I178 PolarHBondContact O-N 3.15Å; D175-K199 WeakPolarHBondContact OD1-CD 3.48Å; D175-K199 IonicContact OD1-NZ 2.93Å; D175-K199 PolarHBondContact OD1-NZ 2.59Å |
| 176 | F | 73 | Confident | 68.7 | Low | 130 Ų | 130 | 93.8 Ų | 93.8 | 57% | 0.57 | 50% | 0.504 | S | S | * | . | G | 310 helix | trans | -56.1 | -27.2 | 176.7 | 85.6 | -94.7 | 0 | 0 | 0 | 113.5 | N174 I178 S180 | N174-F176 HydrophobicContact CB-CD1 3.24Å; N174-F176 HydrophobicContact CB-CE1 3.33Å; N174-F176 VanDerWaalsContact ND2-CE1 3.3Å; N174-F176 WeakPolarHBondContact ND2-CE1 3.49Å; N174-F176 PolarHBondContact O-N 3.19Å; N174-F176 VanDerWaalsContact OD1-CD1 3.27Å; N174-F176 WeakPolarHBondContact OD1-CD1 3.45Å; F176-I178 VanDerWaalsContact C-N 3.3Å; F176-I178 PolarHBondContact O-N 2.72Å; F176-S180 PolarHBondContact O-OG 3.43Å |
| 177 | L | 83.9 | Confident | 71 | Confident | 38 Ų | 38 | 97.4 Ų | 97.4 | 20% | 0.199 | 51% | 0.511 | C | S | . | . | G | 310 helix | trans | -72.6 | -25.2 | 178.5 | -71.5 | 178.1 | 0 | 0 | 0 | 112.1 | D175 G179 S180 V196 Y207 L222 | D175-L177 PolarHBondContact O-N 2.8Å; D175-L177 VanDerWaalsContact O-N 3.09Å; L177-G179 PolarHBondContact O-N 2.84Å; L177-S180 WeakPolarHBondContact O-CB 3.43Å; L177-S180 PolarHBondContact O-N 3.18Å; L177-S180 PolarHBondContact O-OG 2.82Å; L177-V196 VanDerWaalsContact O-CB 3.23Å; L177-V196 WeakPolarHBondContact O-CB 3.39Å; L177-Y207 HydrophobicContact CB-CD1 4.47Å; L177-Y207 HydrophobicContact CB-CE1 3.88Å; L177-Y207 HydrophobicContact CD1-CE1 4.18Å; L177-Y207 HydrophobicContact CD1-CE2 4.07Å; L177-L222 HydrophobicContact CD1-CD1 4Å |
| 178 | I | 86.9 | Confident | 73.5 | Confident | 47 Ų | 47 | 94.8 Ų | 94.8 | 24% | 0.241 | 50% | 0.502 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | 127.1 | -179.7 | -51.7 | 178.5 | 0 | 0 | 0 | 109 | T49 D175 F176 S180 K199 | T49-I178 HydrophobicContact CG2-CG2 3.47Å; T49-I178 VanDerWaalsContact CG2-CG2 3.47Å; D175-I178 HydrophobicContact CB-CD1 4.3Å; D175-I178 WeakPolarHBondContact O-CB 2.96Å; D175-I178 WeakPolarHBondContact O-CG1 3.47Å; D175-I178 PolarHBondContact O-N 3.15Å; F176-I178 VanDerWaalsContact C-N 3.3Å; F176-I178 PolarHBondContact O-N 2.72Å; I178-S180 VanDerWaalsContact C-N 3.26Å; I178-S180 PolarHBondContact O-N 2.69Å; I178-K199 HydrophobicContact CD1-CB 3.95Å; I178-K199 HydrophobicContact CG1-CB 4.24Å |
| 179 | G | 87.5 | Confident | 75.8 | Confident | 23 Ų | 23 | 92.6 Ų | 92.6 | 24% | 0.237 | 49% | 0.489 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 84.9 | -8.9 | -176 | 0 | 0 | 0 | 0 | 0 | 114.5 | L177 K195 V196 | L177-G179 PolarHBondContact O-N 2.84Å; G179-K195 WeakPolarHBondContact O-CE 3.27Å; G179-V196 WeakPolarHBondContact CA-O 3.47Å; G179-V196 PolarHBondContact N-O 2.92Å |
| 180 | S | 90 | Very high | 78.1 | Confident | 42 Ų | 42 | 85.2 Ų | 85.2 | 29% | 0.294 | 47% | 0.468 | S | S | . | . | trans | -69.9 | 146.3 | 174.2 | -66 | 0 | 0 | 0 | 0 | 111.4 | F176 L177 I178 K195 V196 | F176-S180 PolarHBondContact O-OG 3.43Å; L177-S180 WeakPolarHBondContact O-CB 3.43Å; L177-S180 PolarHBondContact O-N 3.18Å; L177-S180 PolarHBondContact O-OG 2.82Å; I178-S180 VanDerWaalsContact C-N 3.26Å; I178-S180 PolarHBondContact O-N 2.69Å; S180-K195 WeakPolarHBondContact O-CA 3.28Å; S180-V196 PolarHBondContact O-N 2.88Å | ||
| 181 | W | 91 | Very high | 80.3 | Confident | 158 Ų | 158 | 85.9 Ų | 85.9 | 60% | 0.598 | 46% | 0.457 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 137.1 | 171.1 | -71.9 | 96.3 | 0 | 0 | 0 | 110.2 | G194 L212 | W181-G194 CarbonylContact C-O 3.47Å; W181-G194 WeakPolarHBondContact CA-O 3.49Å; W181-G194 VanDerWaalsContact CE3-O 3.3Å; W181-L212 HydrophobicContact CH2-CD1 4.14Å; W181-L212 HydrophobicContact CH2-CD2 3.98Å; W181-L212 HydrophobicContact CH2-CG 4.28Å; W181-L212 HydrophobicContact CZ3-CD1 3.8Å; W181-L212 HydrophobicContact CZ3-CD2 4.06Å; W181-L212 HydrophobicContact CZ3-CG 3.88Å |
| 182 | V | 90.6 | Very high | 82.3 | Confident | 33 Ų | 33 | 84.3 Ų | 84.3 | 20% | 0.2 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 148.7 | 175.1 | -69.6 | 0 | 0 | 0 | 0 | 109.6 | F193 G194 V196 I209 | V182-F193 WeakPolarHBondContact O-CA 3.48Å; V182-G194 VanDerWaalsContact CG2-O 3.32Å; V182-G194 WeakPolarHBondContact CG2-O 3.3Å; V182-G194 PolarHBondContact N-O 2.85Å; V182-G194 PolarHBondContact O-N 2.82Å; V182-V196 HydrophobicContact CG1-CG2 3.67Å; V182-I209 HydrophobicContact CG2-CD1 4.13Å; V182-I209 HydrophobicContact CG2-CG2 3.55Å |
| 183 | Q | 90.8 | Very high | 84.3 | Confident | 93 Ų | 93 | 83.4 Ų | 83.4 | 44% | 0.435 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 128.1 | 173.7 | -170.7 | -163.7 | -73.4 | 0 | 0 | 108.7 | K191 K192 F193 | Q183-K191 HydrophobicContact CG-CB 4.09Å; Q183-K191 HydrophobicContact CG-CD 4.33Å; Q183-K191 HydrophobicContact CG-CG 4.25Å; Q183-K191 VanDerWaalsContact NE2-CD 3.33Å; Q183-K192 WeakPolarHBondContact CA-O 3.05Å; Q183-F193 HydrophobicContact CB-CD1 4.22Å; Q183-F193 HydrophobicContact CB-CE1 4.09Å; Q183-F193 HydrophobicContact CG-CD1 4.14Å; Q183-F193 HydrophobicContact CG-CE1 3.74Å; Q183-F193 HydrophobicContact CG-CZ 4.07Å |
| 184 | Y | 85.6 | Confident | 86.1 | Confident | 100 Ų | 100 | 77 Ų | 77 | 39% | 0.392 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 129.3 | 171.6 | 176.3 | -100.9 | 0 | 0 | 0 | 109.1 | R186 K191 K192 | Y184-R186 HydrophobicContact CD1-CG 3.94Å; Y184-R186 HydrophobicContact CE1-CB 4.34Å; Y184-R186 HydrophobicContact CE1-CG 3.64Å; Y184-K191 CarbonylContact O-C 3.14Å; Y184-K191 WeakPolarHBondContact O-CA 3.22Å; Y184-K192 PolarHBondContact N-O 3.13Å; Y184-K192 PolarHBondContact O-N 2.91Å |
| 185 | T | 87.9 | Confident | 87.8 | Confident | 75 Ų | 75 | 77.5 Ų | 77.5 | 46% | 0.46 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 120.2 | 173.2 | -54 | 0 | 0 | 0 | 0 | 108.1 | S190 | T185-S190 WeakPolarHBondContact CA-O 3.41Å |
| 186 | R | 86.2 | Confident | 89 | Confident | 114 Ų | 114 | 73.3 Ų | 73.3 | 43% | 0.43 | 37% | 0.369 | S | S | . | . | trans | -74.5 | 166.6 | 175.1 | -74.4 | 169.8 | 169.1 | -176.1 | -1 | 110.8 | Y184 D188 G189 S190 | Y184-R186 HydrophobicContact CD1-CG 3.94Å; Y184-R186 HydrophobicContact CE1-CB 4.34Å; Y184-R186 HydrophobicContact CE1-CG 3.64Å; R186-D188 WeakPolarHBondContact CB-OD1 3.49Å; R186-D188 PolarHBondContact O-N 2.85Å; R186-G189 WeakPolarHBondContact O-CA 3.46Å; R186-G189 PolarHBondContact O-N 2.88Å; R186-S190 VanDerWaalsContact CD-OG 3.25Å; R186-S190 WeakPolarHBondContact CD-OG 3.5Å; R186-S190 PolarHBondContact N-O 2.83Å | ||
| 187 | D | 87.4 | Confident | 89.8 | Confident | 170 Ų | 170 | 67.3 Ų | 67.3 | 91% | 0.909 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -29.9 | 179.2 | -57.9 | -28.7 | 0 | 0 | 0 | 112.9 | G189 | D187-G189 PolarHBondContact O-N 3.37Š|
| 188 | D | 91.9 | Very high | 90.1 | Very high | 120 Ų | 120 | 69.5 Ų | 69.5 | 64% | 0.642 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.5 | 2.2 | 174.6 | 67.9 | 0.6 | 0 | 0 | 0 | 113.7 | R186 S190 | R186-D188 WeakPolarHBondContact CB-OD1 3.49Å; R186-D188 PolarHBondContact O-N 2.85Å; D188-S190 VanDerWaalsContact CG-OG 3.3Å; D188-S190 PolarHBondContact O-N 3.32Å; D188-S190 WeakPolarHBondContact OD1-CB 3.16Å; D188-S190 PolarHBondContact OD1-N 2.79Å; D188-S190 PolarHBondContact OD1-OG 2.75Å; D188-S190 PolarHBondContact OD2-OG 2.96Å |
| 189 | G | 90.7 | Very high | 90.1 | Very high | 48 Ų | 48 | 68 Ų | 68 | 50% | 0.495 | 34% | 0.34 | S | S | . | . | S | Bend | trans | 79.9 | -5.5 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | R186 D187 | R186-G189 WeakPolarHBondContact O-CA 3.46Å; R186-G189 PolarHBondContact O-N 2.88Å; D187-G189 PolarHBondContact O-N 3.37Å |
| 190 | S | 91.1 | Very high | 90 | Very high | 45 Ų | 45 | 67 Ų | 67 | 32% | 0.315 | 33% | 0.33 | S | S | . | . | trans | -69.4 | 146.8 | 176.8 | 71.3 | 0 | 0 | 0 | 0 | 111.2 | T185 R186 D188 | T185-S190 WeakPolarHBondContact CA-O 3.41Å; R186-S190 VanDerWaalsContact CD-OG 3.25Å; R186-S190 WeakPolarHBondContact CD-OG 3.5Å; R186-S190 PolarHBondContact N-O 2.83Å; D188-S190 VanDerWaalsContact CG-OG 3.3Å; D188-S190 PolarHBondContact O-N 3.32Å; D188-S190 WeakPolarHBondContact OD1-CB 3.16Å; D188-S190 PolarHBondContact OD1-N 2.79Å; D188-S190 PolarHBondContact OD1-OG 2.75Å; D188-S190 PolarHBondContact OD2-OG 2.96Å | ||
| 191 | K | 91.5 | Very high | 89.5 | Confident | 125 Ų | 125 | 72.5 Ų | 72.5 | 54% | 0.543 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 128.3 | -176.3 | -67.1 | 173.6 | 172.1 | -166.8 | 0 | 110.5 | Q183 Y184 F193 | Q183-K191 HydrophobicContact CG-CB 4.09Å; Q183-K191 HydrophobicContact CG-CD 4.33Å; Q183-K191 HydrophobicContact CG-CG 4.25Å; Q183-K191 VanDerWaalsContact NE2-CD 3.33Å; Y184-K191 CarbonylContact O-C 3.14Å; Y184-K191 WeakPolarHBondContact O-CA 3.22Å; K191-F193 HydrophobicContact CB-CE2 4.05Å; K191-F193 HydrophobicContact CB-CZ 4.34Å |
| 192 | K | 91.7 | Very high | 88.9 | Confident | 22 Ų | 22 | 68.2 Ų | 68.2 | 10% | 0.096 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 126.9 | 171.2 | -152.7 | -177.2 | -172.2 | -169.2 | 0 | 108.8 | Q183 Y184 F211 D214 Y218 | Q183-K192 WeakPolarHBondContact CA-O 3.05Å; Y184-K192 PolarHBondContact N-O 3.13Å; Y184-K192 PolarHBondContact O-N 2.91Å; K192-F211 HydrophobicContact CB-CD1 3.96Å; K192-F211 HydrophobicContact CB-CE1 4.14Å; K192-F211 HydrophobicContact CD-CB 3.81Å; K192-F211 HydrophobicContact CD-CD1 3.66Å; K192-F211 HydrophobicContact CD-CD2 3.96Å; K192-F211 HydrophobicContact CD-CE1 4.2Å; K192-F211 HydrophobicContact CD-CE2 4.44Å; K192-F211 HydrophobicContact CD-CG 3.54Å; K192-F211 VanDerWaalsContact CE-CB 3.42Å; K192-F211 HydrophobicContact CG-CB 4.04Å; K192-F211 HydrophobicContact CG-CD1 3.57Å; K192-F211 HydrophobicContact CG-CE1 4.21Å; K192-F211 HydrophobicContact CG-CG 3.89Å; K192-D214 IonicContact NZ-OD2 2.76Å; K192-D214 PolarHBondContact NZ-OD2 2.84Å; K192-Y218 PolarHBondContact NZ-OH 3.27Å |
| 193 | F | 93.9 | Very high | 88.5 | Confident | 96 Ų | 96 | 68.7 Ų | 68.7 | 42% | 0.421 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 136.2 | 177.4 | -65.9 | -87.6 | 0 | 0 | 0 | 110.1 | V182 Q183 K191 F211 L212 | V182-F193 WeakPolarHBondContact O-CA 3.48Å; Q183-F193 HydrophobicContact CB-CD1 4.22Å; Q183-F193 HydrophobicContact CB-CE1 4.09Å; Q183-F193 HydrophobicContact CG-CD1 4.14Å; Q183-F193 HydrophobicContact CG-CE1 3.74Å; Q183-F193 HydrophobicContact CG-CZ 4.07Å; K191-F193 HydrophobicContact CB-CE2 4.05Å; K191-F193 HydrophobicContact CB-CZ 4.34Å; F193-F211 WeakPolarHBondContact O-CA 3.42Å; F193-F211 WeakPolarHBondContact O-CD1 3.38Å; F193-L212 HydrophobicContact CB-CD1 4.1Å; F193-L212 PolarHBondContact O-N 3.01Å |
| 194 | G | 92.8 | Very high | 88 | Confident | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 169.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | W181 V182 K210 | W181-G194 CarbonylContact C-O 3.47Å; W181-G194 WeakPolarHBondContact CA-O 3.49Å; W181-G194 VanDerWaalsContact CE3-O 3.3Å; V182-G194 VanDerWaalsContact CG2-O 3.32Å; V182-G194 WeakPolarHBondContact CG2-O 3.3Å; V182-G194 PolarHBondContact N-O 2.85Å; V182-G194 PolarHBondContact O-N 2.82Å; G194-K210 CarbonylContact C-O 3.58Å; G194-K210 WeakPolarHBondContact CA-O 2.86Å |
| 195 | K | 92.5 | Very high | 88 | Confident | 61 Ų | 61 | 64.6 Ų | 64.6 | 27% | 0.265 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 135.1 | 176.5 | -160.8 | 174.2 | -174.2 | -178.7 | 0 | 108.7 | G179 S180 V197 I209 K210 | G179-K195 WeakPolarHBondContact O-CE 3.27Å; S180-K195 WeakPolarHBondContact O-CA 3.28Å; K195-V197 PolarHBondContact O-N 2.78Å; K195-I209 WeakPolarHBondContact O-CA 3.48Å; K195-K210 PolarHBondContact N-O 3.13Å; K195-K210 PolarHBondContact O-N 2.85Å |
| 196 | V | 91.7 | Very high | 88 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 118.9 | 168.4 | -179.7 | 0 | 0 | 0 | 0 | 107.2 | L177 G179 S180 V182 Y207 I209 | L177-V196 VanDerWaalsContact O-CB 3.23Å; L177-V196 WeakPolarHBondContact O-CB 3.39Å; G179-V196 WeakPolarHBondContact CA-O 3.47Å; G179-V196 PolarHBondContact N-O 2.92Å; S180-V196 PolarHBondContact O-N 2.88Å; V182-V196 HydrophobicContact CG1-CG2 3.67Å; V196-Y207 HydrophobicContact CG1-CD1 3.57Å; V196-Y207 HydrophobicContact CG1-CE1 4.43Å; V196-Y207 HydrophobicContact CG1-CG 4.21Å; V196-I209 HydrophobicContact CG2-CG1 4.47Å |
| 197 | V | 91.3 | Very high | 88.3 | Confident | 4 Ų | 4 | 56 Ų | 56 | 2% | 0.024 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | -25.9 | -171.9 | -71 | 0 | 0 | 0 | 0 | 113.5 | L47 L53 K195 C208 K210 | L47-V197 HydrophobicContact CD1-CB 3.65Å; L47-V197 HydrophobicContact CD1-CG1 3.93Å; L47-V197 HydrophobicContact CD1-CG2 4.04Å; L47-V197 HydrophobicContact CD2-CB 4.08Å; L47-V197 HydrophobicContact CD2-CG2 4.37Å; L47-V197 HydrophobicContact CG-CB 4.45Å; L53-V197 HydrophobicContact CD2-CG1 4.18Å; K195-V197 PolarHBondContact O-N 2.78Å; V197-C208 HydrophobicContact CG2-CB 3.96Å; V197-C208 VanDerWaalsContact CG2-O 3.3Å; V197-C208 WeakPolarHBondContact CG2-O 3.46Å; V197-C208 PolarHBondContact N-O 3.1Å; V197-K210 HydrophobicContact CG1-CB 3.72Å; V197-K210 HydrophobicContact CG2-CB 4.31Å |
| 198 | Y | 88.8 | Confident | 88.6 | Confident | 83 Ų | 83 | 48.3 Ų | 48.3 | 33% | 0.325 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.8 | 150 | -177.7 | -176.6 | -101.4 | 0 | 0 | 0 | 110.7 | Y207 C208 | Y198-Y207 CarbonylContact O-C 3.56Å; Y198-Y207 WeakPolarHBondContact O-CA 3.4Å; Y198-C208 PolarHBondContact N-O 3.03Å; Y198-C208 PolarHBondContact O-N 3.29Å |
| 199 | K | 87.5 | Confident | 88.7 | Confident | 15 Ų | 15 | 42.9 Ų | 42.9 | 7% | 0.065 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 132.9 | 173 | -178.2 | -170.9 | -178.1 | -171.1 | 0 | 108 | D173 D175 I178 L201 S204 Y207 | D173-K199 IonicContact OD1-NZ 3.61Å; D175-K199 WeakPolarHBondContact OD1-CD 3.48Å; D175-K199 IonicContact OD1-NZ 2.93Å; D175-K199 PolarHBondContact OD1-NZ 2.59Å; I178-K199 HydrophobicContact CD1-CB 3.95Å; I178-K199 HydrophobicContact CG1-CB 4.24Å; K199-L201 PolarHBondContact O-N 2.9Å; K199-S204 WeakPolarHBondContact CE-O 3.47Å; K199-Y207 HydrophobicContact CB-CD1 3.97Å; K199-Y207 HydrophobicContact CB-CE1 3.9Å; K199-Y207 HydrophobicContact CD-CE1 4.03Å; K199-Y207 HydrophobicContact CG-CD1 4.1Å; K199-Y207 HydrophobicContact CG-CE1 3.7Å |
| 200 | V | 84.9 | Confident | 88.9 | Confident | 3 Ų | 3 | 42.2 Ų | 42.2 | 2% | 0.018 | 22% | 0.221 | C | C | . | . | trans | -70.8 | 116.4 | -179 | 178.9 | 0 | 0 | 0 | 0 | 109.1 | L123 A202 N203 V206 | L123-V200 HydrophobicContact CB-CG1 4.35Å; L123-V200 HydrophobicContact CB-CG2 4.34Å; L123-V200 HydrophobicContact CD2-CG2 4.31Å; L123-V200 WeakPolarHBondContact O-CG1 3.38Å; V200-A202 VanDerWaalsContact C-N 3.28Å; V200-A202 PolarHBondContact O-N 3.46Å; V200-N203 HydrophobicContact CG1-CB 4.38Å; V200-N203 CarbonylContact O-C 3.13Å; V200-N203 PolarHBondContact O-N 2.86Å; V200-V206 HydrophobicContact CB-CB 4.13Å; V200-V206 HydrophobicContact CB-CG1 4.34Å; V200-V206 HydrophobicContact CG2-CB 4Å; V200-V206 HydrophobicContact CG2-CG1 3.67Å; V200-V206 PolarHBondContact N-O 2.86Å | ||
| 201 | L | 80.2 | Confident | 89 | Confident | 158 Ų | 158 | 40.3 Ų | 40.3 | 83% | 0.827 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | -40.7 | -172.2 | -70.4 | 173 | 0 | 0 | 0 | 113.5 | K199 | K199-L201 PolarHBondContact O-N 2.9Š|
| 202 | A | 78.6 | Confident | 89.1 | Confident | 68 Ų | 68 | 39.5 Ų | 39.5 | 56% | 0.562 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.7 | -1.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | V100 C101 V200 | V100-A202 HydrophobicContact CG1-CB 4.28Å; C101-A202 HydrophobicContact CB-CB 4.1Å; C101-A202 WeakPolarHBondContact SG-CB 3.02Å; V200-A202 VanDerWaalsContact C-N 3.28Å; V200-A202 PolarHBondContact O-N 3.46Å |
| 203 | N | 81.4 | Confident | 89 | Confident | 43 Ų | 43 | 42.3 Ų | 42.3 | 23% | 0.23 | 24% | 0.244 | C | C | . | . | trans | -143.4 | 99.3 | 170.3 | -171.7 | -26.8 | 0 | 0 | 0 | 111 | V200 T205 V206 | V200-N203 HydrophobicContact CG1-CB 4.38Å; V200-N203 CarbonylContact O-C 3.13Å; V200-N203 PolarHBondContact O-N 2.86Å; N203-T205 PolarHBondContact O-N 2.86Å; N203-T205 PolarHBondContact OD1-N 3.32Å; N203-T205 PolarHBondContact OD1-OG1 3.48Å; N203-V206 HydrophobicContact CB-CB 4.38Å; N203-V206 HydrophobicContact CB-CG2 4Å; N203-V206 VanDerWaalsContact CG-CG2 3.42Å; N203-V206 PolarHBondContact O-N 2.75Å; N203-V206 VanDerWaalsContact O-N 3.08Å | ||
| 204 | S | 80.1 | Confident | 89 | Confident | 46 Ų | 46 | 39.2 Ų | 39.2 | 32% | 0.322 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -12.3 | -173 | 56.6 | 0 | 0 | 0 | 0 | 115.2 | K199 Y207 | K199-S204 WeakPolarHBondContact CE-O 3.47Å; S204-Y207 PolarHBondContact O-OH 2.6Å |
| 205 | T | 85 | Confident | 89.1 | Confident | 61 Ų | 61 | 40.7 Ų | 40.7 | 37% | 0.374 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | -7.6 | 178.2 | 66.2 | 0 | 0 | 0 | 0 | 113 | N203 Y207 T221 L222 | N203-T205 PolarHBondContact O-N 2.86Å; N203-T205 PolarHBondContact OD1-N 3.32Å; N203-T205 PolarHBondContact OD1-OG1 3.48Å; T205-Y207 WeakPolarHBondContact O-CD2 3.35Å; T205-T221 CarbonylContact O-C 3.58Å; T205-T221 WeakPolarHBondContact O-CA 3.35Å; T205-L222 PolarHBondContact O-N 2.81Å |
| 206 | V | 89.4 | Confident | 89.3 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 127.2 | -170.9 | -178.2 | 0 | 0 | 0 | 0 | 110.3 | M121 L123 V200 N203 V219 Y220 | M121-V206 HydrophobicContact CE-CB 4.12Å; M121-V206 HydrophobicContact CE-CG1 3.77Å; M121-V206 HydrophobicContact CE-CG2 3.4Å; L123-V206 HydrophobicContact CD2-CG1 4.21Å; V200-V206 HydrophobicContact CB-CB 4.13Å; V200-V206 HydrophobicContact CB-CG1 4.34Å; V200-V206 HydrophobicContact CG2-CB 4Å; V200-V206 HydrophobicContact CG2-CG1 3.67Å; V200-V206 PolarHBondContact N-O 2.86Å; N203-V206 HydrophobicContact CB-CB 4.38Å; N203-V206 HydrophobicContact CB-CG2 4Å; N203-V206 VanDerWaalsContact CG-CG2 3.42Å; N203-V206 PolarHBondContact O-N 2.75Å; N203-V206 VanDerWaalsContact O-N 3.08Å; V206-V219 HydrophobicContact CG1-CG1 3.57Å; V206-Y220 WeakPolarHBondContact CA-O 3.18Å |
| 207 | Y | 91.8 | Very high | 89.6 | Confident | 9 Ų | 9 | 40.4 Ų | 40.4 | 4% | 0.035 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 140.6 | -172.6 | -65.9 | -91.8 | 0 | 0 | 0 | 111.4 | N174 L177 V196 Y198 K199 S204 T205 V219 Y220 L222 | N174-Y207 PolarHBondContact O-OH 2.9Å; L177-Y207 HydrophobicContact CB-CD1 4.47Å; L177-Y207 HydrophobicContact CB-CE1 3.88Å; L177-Y207 HydrophobicContact CD1-CE1 4.18Å; L177-Y207 HydrophobicContact CD1-CE2 4.07Å; V196-Y207 HydrophobicContact CG1-CD1 3.57Å; V196-Y207 HydrophobicContact CG1-CE1 4.43Å; V196-Y207 HydrophobicContact CG1-CG 4.21Å; Y198-Y207 CarbonylContact O-C 3.56Å; Y198-Y207 WeakPolarHBondContact O-CA 3.4Å; K199-Y207 HydrophobicContact CB-CD1 3.97Å; K199-Y207 HydrophobicContact CB-CE1 3.9Å; K199-Y207 HydrophobicContact CD-CE1 4.03Å; K199-Y207 HydrophobicContact CG-CD1 4.1Å; K199-Y207 HydrophobicContact CG-CE1 3.7Å; S204-Y207 PolarHBondContact O-OH 2.6Å; T205-Y207 WeakPolarHBondContact O-CD2 3.35Å; Y207-V219 WeakPolarHBondContact O-CA 3.39Å; Y207-Y220 PolarHBondContact N-O 2.76Å; Y207-Y220 PolarHBondContact O-N 2.69Å; Y207-L222 HydrophobicContact CD2-CB 3.78Å; Y207-L222 HydrophobicContact CD2-CD1 3.54Å; Y207-L222 HydrophobicContact CD2-CG 3.71Å; Y207-L222 HydrophobicContact CE2-CB 4.02Å; Y207-L222 HydrophobicContact CE2-CD1 4.12Å; Y207-L222 HydrophobicContact CE2-CG 4.38Å; Y207-L222 HydrophobicContact CG-CD1 3.77Å; Y207-L222 HydrophobicContact CG-CG 4.29Å |
| 208 | C | 93.5 | Very high | 89.8 | Confident | 7 Ų | 7 | 42 Ų | 42 | 5% | 0.047 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 133 | 167.5 | -58.6 | 0 | 0 | 0 | 0 | 109.8 | V197 Y198 I217 Y218 | V197-C208 HydrophobicContact CG2-CB 3.96Å; V197-C208 VanDerWaalsContact CG2-O 3.3Å; V197-C208 WeakPolarHBondContact CG2-O 3.46Å; V197-C208 PolarHBondContact N-O 3.1Å; Y198-C208 PolarHBondContact N-O 3.03Å; Y198-C208 PolarHBondContact O-N 3.29Å; C208-I217 HydrophobicContact CB-CG2 3.72Å; C208-Y218 CarbonylContact C-O 3.54Å; C208-Y218 WeakPolarHBondContact CA-O 3.47Å |
| 209 | I | 94.1 | Very high | 90.1 | Very high | 6 Ų | 6 | 38.6 Ų | 38.6 | 3% | 0.031 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 128.7 | -176.4 | -53.9 | -177.1 | 0 | 0 | 0 | 109 | V182 K195 V196 F211 Y218 Y220 | V182-I209 HydrophobicContact CG2-CD1 4.13Å; V182-I209 HydrophobicContact CG2-CG2 3.55Å; K195-I209 WeakPolarHBondContact O-CA 3.48Å; V196-I209 HydrophobicContact CG2-CG1 4.47Å; I209-F211 HydrophobicContact CG2-CD2 4.37Å; I209-F211 HydrophobicContact CG2-CE1 4.26Å; I209-F211 HydrophobicContact CG2-CE2 4.09Å; I209-F211 HydrophobicContact CG2-CZ 4.02Å; I209-Y218 PolarHBondContact N-O 3.05Å; I209-Y218 PolarHBondContact O-N 3.21Å; I209-Y220 HydrophobicContact CD1-CD2 3.69Å; I209-Y220 HydrophobicContact CD1-CG 4.36Å; I209-Y220 HydrophobicContact CG1-CD2 4.28Å |
| 210 | K | 95 | Very high | 90.3 | Very high | 34 Ų | 34 | 40.8 Ų | 40.8 | 15% | 0.148 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 111.3 | 171.7 | 177.9 | 61.1 | 170.9 | 62.2 | 0 | 109.2 | L53 G66 G194 K195 V197 D214 I217 | L53-K210 HydrophobicContact CD2-CB 4.27Å; L53-K210 HydrophobicContact CD2-CG 3.92Å; G66-K210 WeakPolarHBondContact O-CE 3.14Å; G194-K210 CarbonylContact C-O 3.58Å; G194-K210 WeakPolarHBondContact CA-O 2.86Å; K195-K210 PolarHBondContact N-O 3.13Å; K195-K210 PolarHBondContact O-N 2.85Å; V197-K210 HydrophobicContact CG1-CB 3.72Å; V197-K210 HydrophobicContact CG2-CB 4.31Å; K210-D214 WeakPolarHBondContact CE-O 3.37Å; K210-D214 PolarHBondContact NZ-O 3.05Å; K210-I217 HydrophobicContact CB-CD1 4.18Å; K210-I217 HydrophobicContact CD-CD1 3.95Å; K210-I217 HydrophobicContact CG-CD1 4.5Å |
| 211 | F | 94.3 | Very high | 90.4 | Very high | 5 Ų | 5 | 44.7 Ų | 44.7 | 2% | 0.022 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 151.4 | 174.8 | -69.1 | -78.3 | 0 | 0 | 0 | 112.4 | K192 F193 I209 D214 Y218 Y220 | K192-F211 HydrophobicContact CB-CD1 3.96Å; K192-F211 HydrophobicContact CB-CE1 4.14Å; K192-F211 HydrophobicContact CD-CB 3.81Å; K192-F211 HydrophobicContact CD-CD1 3.66Å; K192-F211 HydrophobicContact CD-CD2 3.96Å; K192-F211 HydrophobicContact CD-CE1 4.2Å; K192-F211 HydrophobicContact CD-CE2 4.44Å; K192-F211 HydrophobicContact CD-CG 3.54Å; K192-F211 VanDerWaalsContact CE-CB 3.42Å; K192-F211 HydrophobicContact CG-CB 4.04Å; K192-F211 HydrophobicContact CG-CD1 3.57Å; K192-F211 HydrophobicContact CG-CE1 4.21Å; K192-F211 HydrophobicContact CG-CG 3.89Å; F193-F211 WeakPolarHBondContact O-CA 3.42Å; F193-F211 WeakPolarHBondContact O-CD1 3.38Å; I209-F211 HydrophobicContact CG2-CD2 4.37Å; I209-F211 HydrophobicContact CG2-CE1 4.26Å; I209-F211 HydrophobicContact CG2-CE2 4.09Å; I209-F211 HydrophobicContact CG2-CZ 4.02Å; F211-D214 HydrophobicContact CB-CB 4.29Å; F211-Y218 AromaticContact CD2-CD2 3.41Å; F211-Y218 HydrophobicContact CD2-CD2 3.41Å; F211-Y218 VanDerWaalsContact CD2-CD2 3.41Å; F211-Y218 AromaticContact CD2-CE2 3.69Å; F211-Y218 HydrophobicContact CD2-CE2 3.69Å; F211-Y218 AromaticContact CD2-CG 3.94Å; F211-Y218 HydrophobicContact CD2-CG 3.94Å; F211-Y218 HydrophobicContact CE2-CD1 4.38Å; F211-Y218 AromaticContact CE2-CD2 3.82Å; F211-Y218 HydrophobicContact CE2-CD2 3.82Å; F211-Y218 HydrophobicContact CE2-CE2 4.3Å; F211-Y218 AromaticContact CE2-CG 3.83Å; F211-Y218 HydrophobicContact CE2-CG 3.83Å; F211-Y220 HydrophobicContact CE2-CE2 4.05Å; F211-Y220 HydrophobicContact CZ-CE2 4.33Å |
| 212 | L | 92.3 | Very high | 90.4 | Very high | 108 Ų | 108 | 39.8 Ų | 39.8 | 57% | 0.565 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | 140.3 | 172.3 | -67.6 | 178.5 | 0 | 0 | 0 | 110.7 | W181 F193 D214 | W181-L212 HydrophobicContact CH2-CD1 4.14Å; W181-L212 HydrophobicContact CH2-CD2 3.98Å; W181-L212 HydrophobicContact CH2-CG 4.28Å; W181-L212 HydrophobicContact CZ3-CD1 3.8Å; W181-L212 HydrophobicContact CZ3-CD2 4.06Å; W181-L212 HydrophobicContact CZ3-CG 3.88Å; F193-L212 HydrophobicContact CB-CD1 4.1Å; F193-L212 PolarHBondContact O-N 3.01Å; L212-D214 PolarHBondContact O-N 3.22Å; L212-D214 VanDerWaalsContact O-N 3.09Å |
| 213 | G | 90.4 | Very high | 90.1 | Very high | 82 Ų | 82 | 41.3 Ų | 41.3 | 85% | 0.845 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 71.5 | -7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 214 | D | 93.8 | Very high | 89.2 | Confident | 31 Ų | 31 | 43.1 Ų | 43.1 | 17% | 0.166 | 26% | 0.257 | C | S | . | . | trans | -103.9 | 147.9 | 178.2 | -155.2 | -42.4 | 0 | 0 | 0 | 110.8 | K192 K210 F211 L212 H216 Y218 | K192-D214 IonicContact NZ-OD2 2.76Å; K192-D214 PolarHBondContact NZ-OD2 2.84Å; K210-D214 WeakPolarHBondContact CE-O 3.37Å; K210-D214 PolarHBondContact NZ-O 3.05Å; F211-D214 HydrophobicContact CB-CB 4.29Å; L212-D214 PolarHBondContact O-N 3.22Å; L212-D214 VanDerWaalsContact O-N 3.09Å; D214-H216 IonicContact OD1-CG 2.73Å; D214-H216 PolarHBondContact OD1-N 2.87Å; D214-H216 IonicContact OD1-ND1 3.42Å; D214-H216 PolarHBondContact OD1-ND1 2.86Å; D214-Y218 WeakPolarHBondContact OD2-CE2 3.19Å; D214-Y218 PolarHBondContact OD2-OH 2.85Å | ||
| 215 | L | 95 | Very high | 87.9 | Confident | 31 Ų | 31 | 47.6 Ų | 47.6 | 16% | 0.162 | 28% | 0.278 | C | S | . | . | trans | -92.7 | -18.1 | 174.8 | -61.6 | -179 | 0 | 0 | 0 | 112.7 | W29 Y65 G66 | W29-L215 HydrophobicContact CH2-CD1 3.63Å; W29-L215 HydrophobicContact CH2-CD2 4.3Å; W29-L215 HydrophobicContact CZ2-CD1 3.84Å; Y65-L215 CarbonylContact C-O 3.44Å; Y65-L215 VanDerWaalsContact CA-O 3.3Å; Y65-L215 WeakPolarHBondContact CA-O 3.26Å; Y65-L215 HydrophobicContact CD1-CB 3.59Å; Y65-L215 HydrophobicContact CE1-CB 4.27Å; G66-L215 PolarHBondContact N-O 3.21Å | ||
| 216 | H | 97.2 | Very high | 85.8 | Confident | 53 Ų | 53 | 52.1 Ų | 52.1 | 25% | 0.245 | 30% | 0.298 | C | S | . | . | B | Isolated β-bridge | trans | -73.9 | 150 | -177.8 | -61 | 95.8 | 0 | 0 | 0 | 112.5 | Y65 V142 D214 Y218 | Y65-H216 AromaticContact CE1-CD2 3.68Å; Y65-H216 AromaticContact CE1-NE2 3.41Å; Y65-H216 WeakPolarHBondContact CE1-NE2 3.49Å; Y65-H216 AromaticContact CZ-NE2 3.83Å; V142-H216 HydrophobicContact CG1-CB 4.08Å; V142-H216 HydrophobicContact CG2-CB 4.23Å; D214-H216 IonicContact OD1-CG 2.73Å; D214-H216 PolarHBondContact OD1-N 2.87Å; D214-H216 IonicContact OD1-ND1 3.42Å; D214-H216 PolarHBondContact OD1-ND1 2.86Å; H216-Y218 HydrophobicContact CB-CD2 4.34Å; H216-Y218 HydrophobicContact CB-CE2 3.9Å |
| 217 | I | 96.6 | Very high | 83.1 | Confident | 1 Ų | 1 | 61.3 Ų | 61.3 | 1% | 0.005 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 124.6 | 162.7 | -57.8 | -61.8 | 0 | 0 | 0 | 107.9 | L55 V142 L143 C208 K210 | L55-I217 HydrophobicContact CD2-CD1 4.04Å; L55-I217 HydrophobicContact CD2-CG1 3.83Å; V142-I217 CarbonylContact C-O 3.58Å; V142-I217 WeakPolarHBondContact CA-O 3.49Å; L143-I217 HydrophobicContact CB-CB 3.91Å; L143-I217 HydrophobicContact CB-CG2 4.04Å; L143-I217 HydrophobicContact CD2-CB 4.14Å; L143-I217 HydrophobicContact CD2-CG2 3.95Å; L143-I217 PolarHBondContact N-O 2.58Å; C208-I217 HydrophobicContact CB-CG2 3.72Å; K210-I217 HydrophobicContact CB-CD1 4.18Å; K210-I217 HydrophobicContact CD-CD1 3.95Å; K210-I217 HydrophobicContact CG-CD1 4.5Å |
| 218 | Y | 96 | Very high | 82.7 | Confident | 37 Ų | 37 | 64 Ų | 64 | 15% | 0.145 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 150.5 | 176.3 | -69.8 | -99.1 | 0 | 0 | 0 | 110.7 | P141 V142 K192 C208 I209 F211 D214 H216 Y220 | P141-Y218 HydrophobicContact CG-CD1 4.46Å; P141-Y218 CarbonylContact O-C 3.46Å; P141-Y218 WeakPolarHBondContact O-CA 3.43Å; V142-Y218 HydrophobicContact CG2-CD1 4.19Å; V142-Y218 HydrophobicContact CG2-CE1 4Å; K192-Y218 PolarHBondContact NZ-OH 3.27Å; C208-Y218 CarbonylContact C-O 3.54Å; C208-Y218 WeakPolarHBondContact CA-O 3.47Å; I209-Y218 PolarHBondContact N-O 3.05Å; I209-Y218 PolarHBondContact O-N 3.21Å; F211-Y218 AromaticContact CD2-CD2 3.41Å; F211-Y218 HydrophobicContact CD2-CD2 3.41Å; F211-Y218 VanDerWaalsContact CD2-CD2 3.41Å; F211-Y218 AromaticContact CD2-CE2 3.69Å; F211-Y218 HydrophobicContact CD2-CE2 3.69Å; F211-Y218 AromaticContact CD2-CG 3.94Å; F211-Y218 HydrophobicContact CD2-CG 3.94Å; F211-Y218 HydrophobicContact CE2-CD1 4.38Å; F211-Y218 AromaticContact CE2-CD2 3.82Å; F211-Y218 HydrophobicContact CE2-CD2 3.82Å; F211-Y218 HydrophobicContact CE2-CE2 4.3Å; F211-Y218 AromaticContact CE2-CG 3.83Å; F211-Y218 HydrophobicContact CE2-CG 3.83Å; D214-Y218 WeakPolarHBondContact OD2-CE2 3.19Å; D214-Y218 PolarHBondContact OD2-OH 2.85Å; H216-Y218 HydrophobicContact CB-CD2 4.34Å; H216-Y218 HydrophobicContact CB-CE2 3.9Å; Y218-Y220 HydrophobicContact CD1-CE2 4.16Å; Y218-Y220 HydrophobicContact CG-CE2 4.16Å |
| 219 | V | 94.8 | Very high | 82.1 | Confident | 12 Ų | 12 | 66.9 Ų | 66.9 | 7% | 0.073 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 121.6 | -179.7 | -175.8 | 0 | 0 | 0 | 0 | 108.6 | L123 P141 L143 V206 Y207 | L123-V219 HydrophobicContact CD1-CB 4.47Å; L123-V219 HydrophobicContact CD1-CG1 3.89Å; L123-V219 HydrophobicContact CD1-CG2 3.85Å; L123-V219 HydrophobicContact CD2-CG1 4.09Å; P141-V219 WeakPolarHBondContact CB-O 3.25Å; P141-V219 PolarHBondContact O-N 3.37Å; L143-V219 HydrophobicContact CB-CG2 4.07Å; L143-V219 HydrophobicContact CD1-CG2 4.04Å; V206-V219 HydrophobicContact CG1-CG1 3.57Å; Y207-V219 WeakPolarHBondContact O-CA 3.39Å |
| 220 | Y | 91.5 | Very high | 81.4 | Confident | 61 Ų | 61 | 70.3 Ų | 70.3 | 24% | 0.239 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 141.7 | -179.2 | -71.1 | -78.5 | 0 | 0 | 0 | 111.2 | P141 V206 Y207 I209 F211 Y218 | P141-Y220 HydrophobicContact CB-CE1 4.33Å; P141-Y220 HydrophobicContact CG-CE1 4.22Å; V206-Y220 WeakPolarHBondContact CA-O 3.18Å; Y207-Y220 PolarHBondContact N-O 2.76Å; Y207-Y220 PolarHBondContact O-N 2.69Å; I209-Y220 HydrophobicContact CD1-CD2 3.69Å; I209-Y220 HydrophobicContact CD1-CG 4.36Å; I209-Y220 HydrophobicContact CG1-CD2 4.28Å; F211-Y220 HydrophobicContact CE2-CE2 4.05Å; F211-Y220 HydrophobicContact CZ-CE2 4.33Å; Y218-Y220 HydrophobicContact CD1-CE2 4.16Å; Y218-Y220 HydrophobicContact CG-CE2 4.16Å |
| 221 | T | 87.5 | Confident | 80.6 | Confident | 85 Ų | 85 | 72.5 Ų | 72.5 | 52% | 0.521 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 116.7 | 161.2 | -54.9 | 0 | 0 | 0 | 0 | 108.1 | T205 V223 | T205-T221 CarbonylContact O-C 3.58Å; T205-T221 WeakPolarHBondContact O-CA 3.35Å; T221-V223 HydrophobicContact CG2-CG2 4.21Å |
| 222 | L | 79.8 | Confident | 79.8 | Confident | 55 Ų | 55 | 76.7 Ų | 76.7 | 29% | 0.288 | 45% | 0.448 | S | S | . | . | trans | -95.4 | 120.4 | 174.6 | -62.7 | 179.8 | 0 | 0 | 0 | 108.3 | L177 T205 Y207 | L177-L222 HydrophobicContact CD1-CD1 4Å; T205-L222 PolarHBondContact O-N 2.81Å; Y207-L222 HydrophobicContact CD2-CB 3.78Å; Y207-L222 HydrophobicContact CD2-CD1 3.54Å; Y207-L222 HydrophobicContact CD2-CG 3.71Å; Y207-L222 HydrophobicContact CE2-CB 4.02Å; Y207-L222 HydrophobicContact CE2-CD1 4.12Å; Y207-L222 HydrophobicContact CE2-CG 4.38Å; Y207-L222 HydrophobicContact CG-CD1 3.77Å; Y207-L222 HydrophobicContact CG-CG 4.29Å | ||
| 223 | V | 72.4 | Confident | 79 | Confident | 101 Ų | 101 | 74.6 Ų | 74.6 | 61% | 0.612 | 44% | 0.44 | S | S | * | . | trans | -109.5 | 127 | 175.2 | -168.1 | 0 | 0 | 0 | 0 | 107.4 | T221 N225 | T221-V223 HydrophobicContact CG2-CG2 4.21Å; V223-N225 PolarHBondContact O-N 3.31Å; V223-N225 VanDerWaalsContact O-N 3.13Å | ||
| 224 | S | 62.7 | Low | 78.1 | Confident | 80 Ų | 80 | 74.1 Ų | 74.1 | 56% | 0.559 | 41% | 0.411 | S | S | * | . | trans | -68.1 | 111.9 | 173.3 | 66.5 | 0 | 0 | 0 | 0 | 109 | I226 | S224-I226 PolarHBondContact O-N 3.32Š| ||
| 225 | N | 53.7 | Low | 76.9 | Confident | 141 Ų | 141 | 77.4 Ų | 77.4 | 75% | 0.754 | 43% | 0.43 | S | S | * | . | trans | -77.3 | 85 | 161.8 | -71.9 | -12.4 | 0 | 0 | 0 | 107.1 | V223 T227 | V223-N225 PolarHBondContact O-N 3.31Å; V223-N225 VanDerWaalsContact O-N 3.13Å; N225-T227 PolarHBondContact O-N 3.03Å; N225-T227 PolarHBondContact O-OG1 3.27Å | ||
| 226 | I | 39.3 | Very low | 75.4 | Confident | 155 Ų | 155 | 81.3 Ų | 81.3 | 80% | 0.795 | 45% | 0.452 | S | S | * | . | trans | -64.4 | 108.2 | 161.7 | -52.9 | 174.2 | 0 | 0 | 0 | 104.3 | S224 | S224-I226 PolarHBondContact O-N 3.32Š| ||
| 227 | T | 33.8 | Very low | 73.5 | Confident | 194 Ų | 194 | 83.8 Ų | 83.8 | 100% | 1.19 | 47% | 0.471 | S | S | * | . | trans | -107.6 | 0 | 176.9 | -28.3 | 0 | 0 | 0 | 0 | 107.6 | N225 | N225-T227 PolarHBondContact O-N 3.03Å; N225-T227 PolarHBondContact O-OG1 3.27Å |
Retrieved 227 of 227 residues in 362.4 ms
(Link to these results)