| 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 | E | 52 | Low | 66.1 | Low | 197 Ų | 197 | 90.2 Ų | 90.2 | 92% | 0.921 | 54% | 0.542 | S | S | * | . | 0 | 131 | 0 | -170.5 | 174.5 | 157.7 | 0 | 0 | 106.2 | Q3 | E1-Q3 HydrophobicContact CG-CG 4.38Å; E1-Q3 PolarHBondContact OE1-NE2 3.43Å | |||
| 2 | V | 57.8 | Low | 65.6 | Low | 61 Ų | 61 | 85.5 Ų | 85.5 | 37% | 0.37 | 53% | 0.526 | S | S | . | . | trans | -94.2 | 126.5 | -178.1 | 178.3 | 0 | 0 | 0 | 0 | 108.2 | F28 | V2-F28 HydrophobicContact CG1-CD1 3.42Å; V2-F28 VanDerWaalsContact CG1-CD1 3.42Å; V2-F28 HydrophobicContact CG1-CE1 3.46Å; V2-F28 VanDerWaalsContact CG1-CE1 3.46Å | ||
| 3 | Q | 74.6 | Confident | 66 | Low | 96 Ų | 96 | 91.2 Ų | 91.2 | 45% | 0.449 | 54% | 0.543 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 134.5 | -178.6 | -65.8 | -175.1 | -7.4 | 0 | 0 | 110.4 | E1 A25 | E1-Q3 HydrophobicContact CG-CG 4.38Å; E1-Q3 PolarHBondContact OE1-NE2 3.43Å; Q3-A25 HydrophobicContact CB-CB 4.09Å; Q3-A25 WeakPolarHBondContact O-CB 3.28Å; Q3-A25 PolarHBondContact O-N 3.19Å |
| 4 | L | 71.8 | Confident | 66.7 | Low | 34 Ų | 34 | 91.7 Ų | 91.7 | 18% | 0.178 | 55% | 0.549 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 138.3 | 165 | -71.2 | 174.8 | 0 | 0 | 0 | 107 | E23 E24 F28 M35 C97 | L4-E23 WeakPolarHBondContact CA-O 3.12Å; L4-E24 HydrophobicContact CD2-CB 4.23Å; L4-E24 HydrophobicContact CD2-CG 4.22Å; L4-F28 HydrophobicContact CD2-CE1 4.21Å; L4-F28 HydrophobicContact CD2-CZ 3.88Å; L4-M35 HydrophobicContact CD1-CE 3.85Å; L4-M35 HydrophobicContact CD2-CE 4.16Å; L4-C97 VanDerWaalsContact CB-SG 3.5Å; L4-C97 HydrophobicContact CD1-CB 4.29Å; L4-C97 WeakPolarHBondContact CD1-O 3.36Å |
| 5 | V | 71.3 | Confident | 67.9 | Low | 76 Ų | 76 | 89.5 Ų | 89.5 | 46% | 0.461 | 55% | 0.553 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -119 | 112.6 | -177.5 | -177 | 0 | 0 | 0 | 0 | 109.4 | C22 E23 A25 | V5-C22 WeakPolarHBondContact O-CA 3.11Å; V5-E23 PolarHBondContact N-O 2.82Å; V5-E23 PolarHBondContact O-N 3.37Å; V5-A25 HydrophobicContact CG2-CB 4.34Å |
| 6 | E | 78.1 | Confident | 69.2 | Low | 77 Ų | 77 | 85.4 Ų | 85.4 | 36% | 0.36 | 53% | 0.534 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 137.1 | 175.9 | -57.1 | 87.4 | 167.6 | 0 | 0 | 111.9 | S21 W37 Y96 C97 | E6-S21 CarbonylContact C-O 3.48Å; E6-S21 VanDerWaalsContact CA-O 3.31Å; E6-S21 WeakPolarHBondContact CA-O 3.2Å; E6-W37 HydrophobicContact CG-CH2 4.16Å; E6-W37 HydrophobicContact CG-CZ3 4.01Å; E6-Y96 WeakPolarHBondContact OE1-CA 3.49Å; E6-C97 PolarHBondContact OE1-N 2.89Å; E6-C97 PolarHBondContact OE1-SG 3.1Å |
| 7 | S | 75.3 | Confident | 70.5 | Confident | 67 Ų | 67 | 84.6 Ų | 84.6 | 47% | 0.469 | 53% | 0.532 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 156.8 | 170.6 | 83.1 | 0 | 0 | 0 | 0 | 111.8 | S21 | S7-S21 PolarHBondContact N-O 3.03Å; S7-S21 PolarHBondContact O-N 2.92Å; S7-S21 PolarHBondContact O-OG 3.32Å; S7-S21 VanDerWaalsContact O-OG 3.06Å; S7-S21 PolarHBondContact OG-OG 2.8Å |
| 8 | G | 65.5 | Low | 71.6 | Confident | 49 Ų | 49 | 81 Ų | 81 | 51% | 0.505 | 51% | 0.509 | S | S | . | . | trans | 90.1 | 124.7 | -167.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | L20 | G8-L20 WeakPolarHBondContact O-CD2 3.31Š| ||
| 9 | G | 61.9 | Low | 72.7 | Confident | 66 Ų | 66 | 81.7 Ų | 81.7 | 68% | 0.68 | 50% | 0.504 | S | S | * | . | trans | 172.8 | 30.9 | -169.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 10 | S | 61.9 | Low | 73.8 | Confident | 90 Ų | 90 | 78.1 Ų | 78.1 | 63% | 0.629 | 48% | 0.481 | S | S | * | . | trans | -67.1 | 142.4 | 172.7 | 53.1 | 0 | 0 | 0 | 0 | 109.8 | G12 | S10-G12 VanDerWaalsContact C-N 3.31Å; S10-G12 PolarHBondContact O-N 3.29Å | ||
| 11 | L | 56.9 | Low | 74.8 | Confident | 179 Ų | 179 | 75.4 Ų | 75.4 | 94% | 0.937 | 47% | 0.465 | S | S | * | . | trans | -50.8 | 93.6 | 168.6 | -82.6 | 148.8 | 0 | 0 | 0 | 109.8 | Q13 | L11-Q13 PolarHBondContact O-N 2.81Š| ||
| 12 | G | 60.3 | Low | 76.8 | Confident | 34 Ų | 34 | 66 Ų | 66 | 35% | 0.351 | 42% | 0.421 | S | S | . | . | P | Polyproline II helix | trans | -65.7 | 133.2 | 169.8 | 0 | 0 | 0 | 0 | 0 | 108.2 | S10 | S10-G12 VanDerWaalsContact C-N 3.31Å; S10-G12 PolarHBondContact O-N 3.29Å |
| 13 | Q | 70 | Confident | 78.4 | Confident | 160 Ų | 160 | 68.2 Ų | 68.2 | 75% | 0.748 | 43% | 0.428 | S | S | * | . | P | Polyproline II helix | trans | -65.2 | 148.9 | 167.4 | -68 | -177.5 | -15.9 | 0 | 0 | 108.9 | L11 G15 G16 | L11-Q13 PolarHBondContact O-N 2.81Å; Q13-G15 PolarHBondContact O-N 2.76Å; Q13-G16 WeakPolarHBondContact O-CA 3.37Å; Q13-G16 PolarHBondContact O-N 3.23Å |
| 14 | P | 76.5 | Confident | 78.8 | Confident | 98 Ų | 98 | 64.5 Ų | 64.5 | 64% | 0.636 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51 | 131.3 | 169.3 | -26 | 34.7 | 0 | 0 | 0 | 110.8 | G16 | P14-G16 PolarHBondContact O-N 3.5Š|
| 15 | G | 84.3 | Confident | 78.8 | Confident | 58 Ų | 58 | 65.4 Ų | 65.4 | 60% | 0.598 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.9 | -8.6 | -173.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | Q13 L87 | Q13-G15 PolarHBondContact O-N 2.76Å; G15-L87 PolarHBondContact N-O 2.93Å |
| 16 | G | 88.5 | Confident | 78.9 | Confident | 24 Ų | 24 | 65.2 Ų | 65.2 | 25% | 0.247 | 43% | 0.425 | C | S | . | . | trans | -73.6 | -175.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q13 P14 S86 L87 | Q13-G16 WeakPolarHBondContact O-CA 3.37Å; Q13-G16 PolarHBondContact O-N 3.23Å; P14-G16 PolarHBondContact O-N 3.5Å; G16-S86 PolarHBondContact O-N 2.91Å; G16-S86 VanDerWaalsContact O-N 3.15Å; G16-L87 WeakPolarHBondContact O-CG 3.3Å; G16-L87 PolarHBondContact O-N 3.2Å | ||
| 17 | S | 91 | Very high | 79 | Confident | 72 Ų | 72 | 64.2 Ų | 64.2 | 50% | 0.503 | 44% | 0.435 | S | S | . | . | trans | -132.4 | 148.9 | 175.4 | -54.6 | 0 | 0 | 0 | 0 | 110.5 | M84 N85 | S17-M84 CarbonylContact C-O 3.48Å; S17-M84 WeakPolarHBondContact CA-O 3.4Å; S17-M84 WeakPolarHBondContact CB-O 3.05Å; S17-N85 PolarHBondContact OG-OD1 3.15Å | ||
| 18 | T | 91.5 | Very high | 79.5 | Confident | 20 Ų | 20 | 62.4 Ų | 62.4 | 12% | 0.123 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 161.2 | 173.8 | -167.3 | 0 | 0 | 0 | 0 | 109.7 | L20 M84 L87 | T18-L20 HydrophobicContact CG2-CD2 4.37Å; T18-M84 HydrophobicContact CG2-CB 4Å; T18-M84 HydrophobicContact CG2-CE 4.49Å; T18-M84 HydrophobicContact CG2-CG 4.33Å; T18-M84 HydrophobicContact CG2-SD 3.61Å; T18-M84 PolarHBondContact N-O 3.3Å; T18-M84 PolarHBondContact O-N 2.76Å; T18-L87 HydrophobicContact CG2-CD1 3.96Å; T18-L87 HydrophobicContact CG2-CD2 4.43Å |
| 19 | K | 92.9 | Very high | 80.6 | Confident | 95 Ų | 95 | 63.8 Ų | 63.8 | 41% | 0.413 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 121.9 | 175.3 | -172.1 | 177.5 | 177.4 | -171.5 | 0 | 108.5 | Y81 L82 | K19-Y81 HydrophobicContact CD-CD1 4.42Å; K19-Y81 VanDerWaalsContact CE-CB 3.4Å; K19-L82 WeakPolarHBondContact CA-O 3.3Å |
| 20 | L | 94.6 | Very high | 82 | Confident | 9 Ų | 9 | 60.7 Ų | 60.7 | 5% | 0.047 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 152 | 169.3 | -44.5 | -178 | 0 | 0 | 0 | 108.9 | G8 T18 W37 Y81 L82 M84 Y95 | G8-L20 WeakPolarHBondContact O-CD2 3.31Å; T18-L20 HydrophobicContact CG2-CD2 4.37Å; L20-W37 HydrophobicContact CB-CH2 3.79Å; L20-W37 HydrophobicContact CB-CZ2 4.16Å; L20-W37 HydrophobicContact CB-CZ3 4.27Å; L20-W37 HydrophobicContact CD1-CH2 4.5Å; L20-W37 HydrophobicContact CD1-CZ3 4.14Å; L20-Y81 VanDerWaalsContact O-CA 3.28Å; L20-Y81 WeakPolarHBondContact O-CA 3.41Å; L20-L82 HydrophobicContact CB-CB 4.23Å; L20-L82 HydrophobicContact CD1-CD2 4.18Å; L20-L82 PolarHBondContact N-O 2.84Å; L20-L82 PolarHBondContact O-N 2.95Å; L20-M84 HydrophobicContact CD1-SD 3.69Å; L20-M84 HydrophobicContact CD2-SD 4.13Å; L20-M84 HydrophobicContact CG-SD 3.69Å; L20-Y95 HydrophobicContact CD1-CD1 3.5Å; L20-Y95 HydrophobicContact CD1-CD2 4.04Å; L20-Y95 HydrophobicContact CD1-CE1 4.22Å; L20-Y95 HydrophobicContact CD1-CG 3.4Å; L20-Y95 VanDerWaalsContact CD1-CG 3.4Å |
| 21 | S | 94.9 | Very high | 83.4 | Confident | 21 Ų | 21 | 58.2 Ų | 58.2 | 15% | 0.147 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 151 | 172.7 | 60.4 | 0 | 0 | 0 | 0 | 109.8 | E6 S7 L80 | E6-S21 CarbonylContact C-O 3.48Å; E6-S21 VanDerWaalsContact CA-O 3.31Å; E6-S21 WeakPolarHBondContact CA-O 3.2Å; S7-S21 PolarHBondContact N-O 3.03Å; S7-S21 PolarHBondContact O-N 2.92Å; S7-S21 PolarHBondContact O-OG 3.32Å; S7-S21 VanDerWaalsContact O-OG 3.06Å; S7-S21 PolarHBondContact OG-OG 2.8Å; S21-L80 CarbonylContact C-O 3.46Å; S21-L80 VanDerWaalsContact CA-O 3.23Å; S21-L80 WeakPolarHBondContact CA-O 3.42Å |
| 22 | C | 93.8 | Very high | 85.1 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 116.5 | 177.3 | 161.9 | 0 | 0 | 0 | 0 | 108.2 | V5 W37 L79 L80 C97 | V5-C22 WeakPolarHBondContact O-CA 3.11Å; C22-W37 HydrophobicContact CB-CH2 3.65Å; C22-W37 HydrophobicContact CB-CZ2 3.59Å; C22-L79 CarbonylContact O-C 3.56Å; C22-L79 WeakPolarHBondContact O-CA 3.39Å; C22-L80 HydrophobicContact CB-CB 4.11Å; C22-L80 PolarHBondContact N-O 2.89Å; C22-L80 PolarHBondContact O-N 3.17Å; C22-C97 HydrophobicContact CB-CB 3.46Å; C22-C97 VanDerWaalsContact CB-CB 3.46Å; C22-C97 WeakPolarHBondContact CB-SG 3.42Å; C22-C97 WeakPolarHBondContact SG-CB 3.07Å; C22-C97 CovalentContact SG-SG 2Å; C22-C97 PolarHBondContact SG-SG 3.49Å |
| 23 | E | 91.5 | Very high | 86.6 | Confident | 107 Ų | 107 | 56.7 Ų | 56.7 | 50% | 0.5 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 135.6 | -176.9 | -165.2 | 176.8 | 158 | 0 | 0 | 110.2 | L4 V5 A25 L79 | L4-E23 WeakPolarHBondContact CA-O 3.12Å; V5-E23 PolarHBondContact N-O 2.82Å; V5-E23 PolarHBondContact O-N 3.37Å; E23-A25 PolarHBondContact O-N 2.91Å; E23-L79 HydrophobicContact CB-CD2 3.56Å; E23-L79 HydrophobicContact CG-CD2 3.72Å; E23-L79 HydrophobicContact CG-CG 4.46Å |
| 24 | E | 82.1 | Confident | 87.8 | Confident | 18 Ų | 18 | 54.7 Ų | 54.7 | 8% | 0.084 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 117.1 | 169.9 | -156 | -81.3 | 151.3 | 0 | 0 | 109.9 | L4 S26 G27 F28 F30 N78 | L4-E24 HydrophobicContact CD2-CB 4.23Å; L4-E24 HydrophobicContact CD2-CG 4.22Å; E24-S26 WeakPolarHBondContact OE1-CA 3.23Å; E24-S26 PolarHBondContact OE1-N 3Å; E24-S26 VanDerWaalsContact OE1-O 3.1Å; E24-S26 VanDerWaalsContact OE2-CA 3.28Å; E24-S26 WeakPolarHBondContact OE2-CA 3.4Å; E24-S26 PolarHBondContact OE2-N 3.1Å; E24-G27 PolarHBondContact OE1-N 2.81Å; E24-F28 HydrophobicContact CB-CZ 4.45Å; E24-F28 HydrophobicContact CG-CD1 3.79Å; E24-F28 HydrophobicContact CG-CD2 4.46Å; E24-F28 HydrophobicContact CG-CE1 3.25Å; E24-F28 HydrophobicContact CG-CE2 4.01Å; E24-F28 HydrophobicContact CG-CG 4.39Å; E24-F28 HydrophobicContact CG-CZ 3.38Å; E24-F28 WeakPolarHBondContact OE1-CD1 3.38Å; E24-F28 VanDerWaalsContact OE1-CE1 3.3Å; E24-F28 WeakPolarHBondContact OE1-CE1 3.26Å; E24-F28 PolarHBondContact OE1-N 2.94Å; E24-F30 HydrophobicContact CB-CB 4.33Å; E24-F30 HydrophobicContact CB-CD2 4.01Å; E24-F30 HydrophobicContact CB-CG 4.5Å; E24-F30 HydrophobicContact CG-CB 4.39Å; E24-F30 HydrophobicContact CG-CD2 4.4Å; E24-N78 HydrophobicContact CB-CB 3.81Å; E24-N78 PolarHBondContact N-O 2.92Å |
| 25 | A | 71.3 | Confident | 88.7 | Confident | 53 Ų | 53 | 50 Ų | 50 | 44% | 0.438 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | -37.2 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q3 V5 E23 | Q3-A25 HydrophobicContact CB-CB 4.09Å; Q3-A25 WeakPolarHBondContact O-CB 3.28Å; Q3-A25 PolarHBondContact O-N 3.19Å; V5-A25 HydrophobicContact CG2-CB 4.34Å; E23-A25 PolarHBondContact O-N 2.91Å |
| 26 | S | 74.4 | Confident | 89.3 | Confident | 72 Ų | 72 | 48.5 Ų | 48.5 | 50% | 0.503 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 166.6 | 154.4 | 170.2 | 51.9 | 0 | 0 | 0 | 0 | 111.3 | E24 | E24-S26 WeakPolarHBondContact OE1-CA 3.23Å; E24-S26 PolarHBondContact OE1-N 3Å; E24-S26 VanDerWaalsContact OE1-O 3.1Å; E24-S26 VanDerWaalsContact OE2-CA 3.28Å; E24-S26 WeakPolarHBondContact OE2-CA 3.4Å; E24-S26 PolarHBondContact OE2-N 3.1Å |
| 27 | G | 80.5 | Confident | 89.7 | Confident | 56 Ų | 56 | 47.4 Ų | 47.4 | 58% | 0.577 | 27% | 0.272 | S | S | * | . | S | Bend | trans | 115.6 | 5.5 | 167.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | E24 | E24-G27 PolarHBondContact OE1-N 2.81Š|
| 28 | F | 84.7 | Confident | 90 | Very high | 30 Ų | 30 | 46.1 Ų | 46.1 | 13% | 0.132 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -155.8 | 162.4 | 161.5 | 61.1 | -74.1 | 0 | 0 | 0 | 113.4 | V2 L4 E24 F30 H33 M35 R99 | V2-F28 HydrophobicContact CG1-CD1 3.42Å; V2-F28 VanDerWaalsContact CG1-CD1 3.42Å; V2-F28 HydrophobicContact CG1-CE1 3.46Å; V2-F28 VanDerWaalsContact CG1-CE1 3.46Å; L4-F28 HydrophobicContact CD2-CE1 4.21Å; L4-F28 HydrophobicContact CD2-CZ 3.88Å; E24-F28 HydrophobicContact CB-CZ 4.45Å; E24-F28 HydrophobicContact CG-CD1 3.79Å; E24-F28 HydrophobicContact CG-CD2 4.46Å; E24-F28 HydrophobicContact CG-CE1 3.25Å; E24-F28 HydrophobicContact CG-CE2 4.01Å; E24-F28 HydrophobicContact CG-CG 4.39Å; E24-F28 HydrophobicContact CG-CZ 3.38Å; E24-F28 WeakPolarHBondContact OE1-CD1 3.38Å; E24-F28 VanDerWaalsContact OE1-CE1 3.3Å; E24-F28 WeakPolarHBondContact OE1-CE1 3.26Å; E24-F28 PolarHBondContact OE1-N 2.94Å; F28-F30 HydrophobicContact CE2-CB 4.41Å; F28-F30 HydrophobicContact CE2-CD2 4.25Å; F28-F30 HydrophobicContact CZ-CD2 4.49Å; F28-F30 PolarHBondContact O-N 2.8Å; F28-F30 VanDerWaalsContact O-N 3.1Å; F28-H33 AromaticContact CD2-CD2 3.55Å; F28-M35 HydrophobicContact CE2-SD 4.15Å; F28-M35 HydrophobicContact CZ-CE 4.45Å; F28-M35 HydrophobicContact CZ-SD 4.47Å; F28-R99 HydrophobicContact CE2-CB 4.25Å; F28-R99 HydrophobicContact CZ-CB 4.31Å |
| 29 | T | 89.2 | Confident | 90.1 | Very high | 77 Ų | 77 | 46 Ų | 46 | 47% | 0.472 | 26% | 0.255 | S | S | . | . | trans | -73.8 | 98.2 | 168.7 | -43.6 | 0 | 0 | 0 | 0 | 108.2 | S31 D32 H33 | T29-S31 WeakPolarHBondContact CG2-OG 3.34Å; T29-S31 PolarHBondContact O-N 3.07Å; T29-S31 VanDerWaalsContact O-N 3.08Å; T29-D32 VanDerWaalsContact CB-OD2 3.23Å; T29-D32 WeakPolarHBondContact CB-OD2 3.45Å; T29-D32 HydrophobicContact CG2-CB 4.43Å; T29-D32 WeakPolarHBondContact CG2-OD2 3.47Å; T29-D32 PolarHBondContact O-N 3Å; T29-D32 PolarHBondContact OG1-OD2 2.82Å; T29-H33 PolarHBondContact O-CD2 2.9Å | ||
| 30 | F | 91.1 | Very high | 90.2 | Very high | 2 Ų | 2 | 45.2 Ų | 45.2 | 1% | 0.009 | 25% | 0.253 | C | S | . | . | G | 310 helix | trans | -46.7 | -42.8 | -179.1 | 178.6 | -102.5 | 0 | 0 | 0 | 112.4 | E24 F28 D32 H33 M35 R73 N78 L80 | E24-F30 HydrophobicContact CB-CB 4.33Å; E24-F30 HydrophobicContact CB-CD2 4.01Å; E24-F30 HydrophobicContact CB-CG 4.5Å; E24-F30 HydrophobicContact CG-CB 4.39Å; E24-F30 HydrophobicContact CG-CD2 4.4Å; F28-F30 HydrophobicContact CE2-CB 4.41Å; F28-F30 HydrophobicContact CE2-CD2 4.25Å; F28-F30 HydrophobicContact CZ-CD2 4.49Å; F28-F30 PolarHBondContact O-N 2.8Å; F28-F30 VanDerWaalsContact O-N 3.1Å; F30-D32 PolarHBondContact O-N 3.47Å; F30-H33 PolarHBondContact O-N 2.94Å; F30-M35 HydrophobicContact CD2-CE 4.28Å; F30-M35 HydrophobicContact CD2-CG 4.5Å; F30-M35 HydrophobicContact CD2-SD 4.09Å; F30-M35 HydrophobicContact CE2-CE 3.84Å; F30-M35 HydrophobicContact CE2-CG 3.9Å; F30-M35 HydrophobicContact CE2-SD 3.93Å; F30-M35 HydrophobicContact CZ-CG 4.18Å; F30-R73 VanDerWaalsContact C-NH2 3.28Å; F30-R73 HydrophobicContact CE1-CB 4.18Å; F30-R73 HydrophobicContact CZ-CB 4.28Å; F30-R73 PolarHBondContact O-NH2 3.09Å; F30-N78 HydrophobicContact CB-CB 4.03Å; F30-N78 WeakPolarHBondContact CB-OD1 3.31Å; F30-N78 HydrophobicContact CD1-CB 4.28Å; F30-N78 HydrophobicContact CG-CB 4.06Å; F30-L80 HydrophobicContact CE2-CB 4.23Å; F30-L80 HydrophobicContact CZ-CB 3.98Å |
| 31 | S | 91.8 | Very high | 90.1 | Very high | 38 Ų | 38 | 45.7 Ų | 45.7 | 27% | 0.266 | 26% | 0.258 | S | S | . | . | G | 310 helix | trans | -65.8 | -13.5 | 179.3 | 64.4 | 0 | 0 | 0 | 0 | 115.5 | T29 H54 | T29-S31 WeakPolarHBondContact CG2-OG 3.34Å; T29-S31 PolarHBondContact O-N 3.07Å; T29-S31 VanDerWaalsContact O-N 3.08Å; S31-H54 WeakPolarHBondContact O-CB 3.46Å |
| 32 | D | 91.8 | Very high | 89.9 | Confident | 113 Ų | 113 | 50.5 Ų | 50.5 | 60% | 0.604 | 29% | 0.289 | S | S | * | . | G | 310 helix | trans | -93.2 | -5.2 | -176.5 | -65.2 | -11 | 0 | 0 | 0 | 112.6 | T29 F30 | T29-D32 VanDerWaalsContact CB-OD2 3.23Å; T29-D32 WeakPolarHBondContact CB-OD2 3.45Å; T29-D32 HydrophobicContact CG2-CB 4.43Å; T29-D32 WeakPolarHBondContact CG2-OD2 3.47Å; T29-D32 PolarHBondContact O-N 3Å; T29-D32 PolarHBondContact OG1-OD2 2.82Å; F30-D32 PolarHBondContact O-N 3.47Å |
| 33 | H | 91.7 | Very high | 89.9 | Confident | 67 Ų | 67 | 55 Ų | 55 | 31% | 0.31 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -116.6 | 149.5 | -172.2 | -67.6 | -86.8 | 0 | 0 | 0 | 112.8 | F28 T29 F30 M35 R73 R99 | F28-H33 AromaticContact CD2-CD2 3.55Å; T29-H33 PolarHBondContact O-CD2 2.9Å; F30-H33 PolarHBondContact O-N 2.94Å; H33-M35 HydrophobicContact CB-SD 4.4Å; H33-R73 PolarHBondContact O-NH1 2.99Å; H33-R99 HydrophobicContact CB-CB 4.22Å |
| 34 | W | 95.2 | Very high | 89.9 | Confident | 119 Ų | 119 | 55.9 Ų | 55.9 | 45% | 0.451 | 34% | 0.341 | S | S | . | . | trans | -65.8 | 149.1 | 157.9 | -76.3 | 70.5 | 0 | 0 | 0 | 108.7 | N51 T52 N53 R99 | W34-N51 HydrophobicContact CE3-CB 4.33Å; W34-T52 WeakPolarHBondContact CA-O 3.48Å; W34-N53 HydrophobicContact CD2-CB 3.81Å; W34-N53 VanDerWaalsContact CE2-CB 3.49Å; W34-N53 HydrophobicContact CE3-CB 4.16Å; W34-N53 HydrophobicContact CG-CB 4.4Å; W34-N53 HydrophobicContact CH2-CB 3.97Å; W34-N53 HydrophobicContact CZ2-CB 3.61Å; W34-N53 HydrophobicContact CZ3-CB 4.22Å; W34-R99 WeakPolarHBondContact O-CA 3.25Å | ||
| 35 | M | 95.4 | Very high | 90.4 | Very high | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 135.5 | 178.5 | -61.1 | -57.2 | -56.1 | 0 | 0 | 109 | L4 F28 F30 H33 N51 T52 L80 A98 R99 | L4-M35 HydrophobicContact CD1-CE 3.85Å; L4-M35 HydrophobicContact CD2-CE 4.16Å; F28-M35 HydrophobicContact CE2-SD 4.15Å; F28-M35 HydrophobicContact CZ-CE 4.45Å; F28-M35 HydrophobicContact CZ-SD 4.47Å; F30-M35 HydrophobicContact CD2-CE 4.28Å; F30-M35 HydrophobicContact CD2-CG 4.5Å; F30-M35 HydrophobicContact CD2-SD 4.09Å; F30-M35 HydrophobicContact CE2-CE 3.84Å; F30-M35 HydrophobicContact CE2-CG 3.9Å; F30-M35 HydrophobicContact CE2-SD 3.93Å; F30-M35 HydrophobicContact CZ-CG 4.18Å; H33-M35 HydrophobicContact CB-SD 4.4Å; M35-N51 CarbonylContact O-C 3.55Å; M35-N51 WeakPolarHBondContact O-CA 3.39Å; M35-N51 WeakPolarHBondContact O-CB 3.43Å; M35-T52 PolarHBondContact N-O 3.36Å; M35-T52 PolarHBondContact O-N 2.94Å; M35-L80 HydrophobicContact CB-CD1 3.57Å; M35-L80 HydrophobicContact CB-CD2 3.72Å; M35-L80 HydrophobicContact CB-CG 4.2Å; M35-L80 HydrophobicContact CE-CD2 4.36Å; M35-L80 HydrophobicContact CG-CD1 4.23Å; M35-A98 CarbonylContact C-O 3.4Å; M35-A98 WeakPolarHBondContact CA-O 3.46Å; M35-A98 WeakPolarHBondContact CE-O 3.21Å; M35-R99 HydrophobicContact CE-CB 4.27Å; M35-R99 HydrophobicContact SD-CB 3.87Å |
| 36 | D | 96.6 | Very high | 91.6 | Very high | 25 Ų | 25 | 67 Ų | 67 | 13% | 0.134 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 147.1 | -174.2 | -68.5 | -90.6 | 0 | 0 | 0 | 110.6 | F38 W48 A50 N51 C97 A98 | D36-F38 HydrophobicContact CB-CD2 4.23Å; D36-F38 HydrophobicContact CB-CE2 3.45Å; D36-F38 VanDerWaalsContact CB-CE2 3.45Å; D36-F38 HydrophobicContact CB-CZ 4.03Å; D36-W48 PolarHBondContact OD1-NE1 3.06Å; D36-A50 CarbonylContact C-O 3.59Å; D36-A50 WeakPolarHBondContact CA-O 3.5Å; D36-N51 HydrophobicContact CB-CB 4.45Å; D36-N51 WeakPolarHBondContact OD1-CB 3.43Å; D36-C97 CarbonylContact O-C 3.59Å; D36-C97 VanDerWaalsContact O-CA 3.26Å; D36-C97 WeakPolarHBondContact O-CA 3.35Å; D36-A98 PolarHBondContact N-O 3.39Å; D36-A98 PolarHBondContact O-N 2.87Å |
| 37 | W | 97.4 | Very high | 92.7 | Very high | 1 Ų | 1 | 66.5 Ų | 66.5 | 0% | 0.004 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 138.4 | 164.8 | -80.6 | 99.2 | 0 | 0 | 0 | 110.3 | E6 L20 C22 L49 A50 L80 L82 Y96 C97 | E6-W37 HydrophobicContact CG-CH2 4.16Å; E6-W37 HydrophobicContact CG-CZ3 4.01Å; L20-W37 HydrophobicContact CB-CH2 3.79Å; L20-W37 HydrophobicContact CB-CZ2 4.16Å; L20-W37 HydrophobicContact CB-CZ3 4.27Å; L20-W37 HydrophobicContact CD1-CH2 4.5Å; L20-W37 HydrophobicContact CD1-CZ3 4.14Å; C22-W37 HydrophobicContact CB-CH2 3.65Å; C22-W37 HydrophobicContact CB-CZ2 3.59Å; W37-L49 HydrophobicContact CB-CB 4.37Å; W37-L49 WeakPolarHBondContact O-CB 3.23Å; W37-L49 PolarHBondContact O-N 2.85Å; W37-A50 PolarHBondContact N-O 3Å; W37-L80 HydrophobicContact CD2-CD2 4.5Å; W37-L80 HydrophobicContact CG-CD2 4.43Å; W37-L80 HydrophobicContact CZ2-CD2 4.37Å; W37-L80 VanDerWaalsContact NE1-CD2 3.25Å; W37-L82 HydrophobicContact CB-CD1 4.47Å; W37-L82 HydrophobicContact CB-CD2 4.18Å; W37-L82 HydrophobicContact CD2-CB 3.98Å; W37-L82 HydrophobicContact CD2-CD2 4.19Å; W37-L82 HydrophobicContact CG-CB 4.07Å; W37-L82 HydrophobicContact CG-CD1 4.24Å; W37-L82 HydrophobicContact CG-CD2 4.03Å; W37-L82 HydrophobicContact CG-CG 4.35Å; W37-L82 HydrophobicContact CZ2-CB 4.25Å; W37-Y96 CarbonylContact C-O 3.55Å; W37-Y96 WeakPolarHBondContact CA-O 3.39Å; W37-C97 HydrophobicContact CD2-CB 4.24Å; W37-C97 HydrophobicContact CE3-CB 4.14Å; W37-C97 HydrophobicContact CH2-CB 4.17Å; W37-C97 HydrophobicContact CZ2-CB 4.26Å; W37-C97 HydrophobicContact CZ3-CB 4.1Å |
| 38 | F | 96.9 | Very high | 93.5 | Very high | 46 Ų | 46 | 67.8 Ų | 67.8 | 20% | 0.202 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 158.2 | 174 | -62.1 | -95.6 | 0 | 0 | 0 | 110.1 | D36 L46 E47 W48 Y95 Y96 A98 | D36-F38 HydrophobicContact CB-CD2 4.23Å; D36-F38 HydrophobicContact CB-CE2 3.45Å; D36-F38 VanDerWaalsContact CB-CE2 3.45Å; D36-F38 HydrophobicContact CB-CZ 4.03Å; F38-L46 HydrophobicContact CB-CD1 3.78Å; F38-L46 HydrophobicContact CB-CD2 4.22Å; F38-L46 HydrophobicContact CB-CG 3.93Å; F38-L46 HydrophobicContact CD1-CD2 3.78Å; F38-L46 HydrophobicContact CD1-CG 3.91Å; F38-L46 HydrophobicContact CE1-CD2 4.39Å; F38-L46 HydrophobicContact CG-CD2 4.07Å; F38-L46 HydrophobicContact CG-CG 4.21Å; F38-E47 CarbonylContact C-O 3.53Å; F38-E47 WeakPolarHBondContact CA-O 3.42Å; F38-W48 HydrophobicContact CD1-CB 3.94Å; F38-W48 HydrophobicContact CE1-CB 3.73Å; F38-W48 AromaticContact CE1-CD1 3.77Å; F38-W48 HydrophobicContact CE1-CG 4.18Å; F38-W48 AromaticContact CZ-CD1 3.81Å; F38-Y95 WeakPolarHBondContact O-CA 3.34Å; F38-Y96 PolarHBondContact N-O 3.21Å; F38-Y96 PolarHBondContact O-N 3.48Å; F38-A98 HydrophobicContact CD2-CB 4.31Å; F38-A98 HydrophobicContact CE2-CB 3.9Å |
| 39 | R | 95.2 | Very high | 94.1 | Very high | 18 Ų | 18 | 66.3 Ų | 66.3 | 7% | 0.068 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 154.1 | 165.5 | 69.4 | 175.8 | 178.4 | -164.1 | -0.8 | 112.6 | E47 L49 D91 A93 L94 Y95 | R39-E47 HydrophobicContact CG-CB 4.08Å; R39-E47 IonicContact CZ-OE2 2.8Å; R39-E47 PolarHBondContact N-O 2.69Å; R39-E47 IonicContact NE-OE2 3.23Å; R39-E47 PolarHBondContact NE-OE2 2.59Å; R39-E47 IonicContact NH2-OE1 3.69Å; R39-E47 PolarHBondContact NH2-OE1 2.79Å; R39-E47 IonicContact NH2-OE2 2.74Å; R39-E47 PolarHBondContact NH2-OE2 3.21Å; R39-E47 PolarHBondContact O-N 2.84Å; R39-L49 HydrophobicContact CB-CD1 3.84Å; R39-L49 HydrophobicContact CB-CG 4.32Å; R39-L49 HydrophobicContact CG-CD1 3.92Å; R39-L49 HydrophobicContact CG-CD2 3.8Å; R39-L49 HydrophobicContact CG-CG 3.99Å; R39-D91 IonicContact NH1-OD1 2.7Å; R39-D91 PolarHBondContact NH1-OD1 2.6Å; R39-A93 HydrophobicContact CB-CB 3.83Å; R39-A93 HydrophobicContact CG-CB 4.36Å; R39-L94 CarbonylContact C-O 3.58Å; R39-L94 WeakPolarHBondContact CA-O 3.47Å; R39-Y95 HydrophobicContact CB-CD1 4.03Å; R39-Y95 HydrophobicContact CB-CE1 3.88Å; R39-Y95 HydrophobicContact CB-CG 4.44Å |
| 40 | Q | 94.9 | Very high | 94.5 | Very high | 78 Ų | 78 | 62.7 Ų | 62.7 | 36% | 0.364 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 107.9 | 171.3 | -168.1 | 176.6 | 25.9 | 0 | 0 | 110.1 | M44 L46 A93 L94 Y96 | Q40-M44 WeakPolarHBondContact CG-O 3.41Å; Q40-M44 PolarHBondContact NE2-O 3.23Å; Q40-L46 HydrophobicContact CB-CD1 4.06Å; Q40-A93 WeakPolarHBondContact O-CB 2.86Å; Q40-L94 PolarHBondContact N-O 3.39Å; Q40-L94 PolarHBondContact O-N 2.91Å; Q40-Y96 HydrophobicContact CB-CE2 3.88Å |
| 41 | A | 92.1 | Very high | 94.8 | Very high | 19 Ų | 19 | 64 Ų | 64 | 16% | 0.157 | 33% | 0.332 | C | S | . | . | trans | -76 | 154.4 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | G43 M44 A93 | A41-G43 PolarHBondContact O-N 2.92Å; A41-G43 VanDerWaalsContact O-N 3.16Å; A41-M44 HydrophobicContact CB-CB 4.12Å; A41-M44 HydrophobicContact CB-CG 4.01Å; A41-M44 HydrophobicContact CB-SD 3.72Å; A41-M44 PolarHBondContact O-N 2.99Å; A41-A93 HydrophobicContact CB-CB 4.27Å | ||
| 42 | P | 90.8 | Very high | 95.1 | Very high | 122 Ų | 122 | 62.2 Ų | 62.2 | 79% | 0.792 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.6 | 121.8 | 179 | -26.3 | 34.9 | 0 | 0 | 0 | 112.3 | M44 | P42-M44 VanDerWaalsContact C-N 3.26Å; P42-M44 PolarHBondContact O-N 2.84Å |
| 43 | G | 92.7 | Very high | 95.3 | Very high | 95 Ų | 95 | 57.5 Ų | 57.5 | 98% | 0.979 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.4 | 3.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | A41 | A41-G43 PolarHBondContact O-N 2.92Å; A41-G43 VanDerWaalsContact O-N 3.16Å |
| 44 | M | 91.8 | Very high | 95.4 | Very high | 124 Ų | 124 | 59 Ų | 59 | 61% | 0.611 | 30% | 0.301 | S | S | * | . | S | Bend | trans | -102.8 | 159.9 | 177.4 | -59.9 | -170.3 | 72.8 | 0 | 0 | 111.9 | Q40 A41 P42 | Q40-M44 WeakPolarHBondContact CG-O 3.41Å; Q40-M44 PolarHBondContact NE2-O 3.23Å; A41-M44 HydrophobicContact CB-CB 4.12Å; A41-M44 HydrophobicContact CB-CG 4.01Å; A41-M44 HydrophobicContact CB-SD 3.72Å; A41-M44 PolarHBondContact O-N 2.99Å; P42-M44 VanDerWaalsContact C-N 3.26Å; P42-M44 PolarHBondContact O-N 2.84Å |
| 45 | R | 94 | Very high | 95.3 | Very high | 221 Ų | 221 | 57.5 Ų | 57.5 | 83% | 0.834 | 30% | 0.302 | S | S | * | . | P | Polyproline II helix | trans | -68.2 | 158.6 | 170.5 | 67.6 | -179.8 | -178.8 | -174.6 | 0.7 | 110.7 | E47 | R45-E47 PolarHBondContact O-N 3.4Š|
| 46 | L | 95.5 | Very high | 95.3 | Very high | 85 Ų | 85 | 60.7 Ų | 60.7 | 45% | 0.445 | 32% | 0.317 | S | S | . | . | P | Polyproline II helix | trans | -59.8 | 132.5 | 169.2 | -164.4 | 71.3 | 0 | 0 | 0 | 109.8 | F38 Q40 Y96 | F38-L46 HydrophobicContact CB-CD1 3.78Å; F38-L46 HydrophobicContact CB-CD2 4.22Å; F38-L46 HydrophobicContact CB-CG 3.93Å; F38-L46 HydrophobicContact CD1-CD2 3.78Å; F38-L46 HydrophobicContact CD1-CG 3.91Å; F38-L46 HydrophobicContact CE1-CD2 4.39Å; F38-L46 HydrophobicContact CG-CD2 4.07Å; F38-L46 HydrophobicContact CG-CG 4.21Å; Q40-L46 HydrophobicContact CB-CD1 4.06Å; L46-Y96 HydrophobicContact CD1-CD2 3.88Å; L46-Y96 HydrophobicContact CD1-CE2 4.23Å |
| 47 | E | 96.7 | Very high | 95.2 | Very high | 60 Ų | 60 | 64 Ų | 64 | 28% | 0.28 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 127.4 | 177.4 | -177.1 | -176 | 177.8 | 0 | 0 | 108.9 | F38 R39 R45 L49 S64 | F38-E47 CarbonylContact C-O 3.53Å; F38-E47 WeakPolarHBondContact CA-O 3.42Å; R39-E47 HydrophobicContact CG-CB 4.08Å; R39-E47 IonicContact CZ-OE2 2.8Å; R39-E47 PolarHBondContact N-O 2.69Å; R39-E47 IonicContact NE-OE2 3.23Å; R39-E47 PolarHBondContact NE-OE2 2.59Å; R39-E47 IonicContact NH2-OE1 3.69Å; R39-E47 PolarHBondContact NH2-OE1 2.79Å; R39-E47 IonicContact NH2-OE2 2.74Å; R39-E47 PolarHBondContact NH2-OE2 3.21Å; R39-E47 PolarHBondContact O-N 2.84Å; R45-E47 PolarHBondContact O-N 3.4Å; E47-L49 HydrophobicContact CG-CD2 4.31Å; E47-S64 WeakPolarHBondContact OE1-CB 3.35Å; E47-S64 PolarHBondContact OE1-OG 2.76Å |
| 48 | W | 97.5 | Very high | 95.2 | Very high | 83 Ų | 83 | 65 Ų | 65 | 31% | 0.314 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 138.1 | 169.5 | 175.6 | 84.7 | 0 | 0 | 0 | 110 | D36 F38 N51 Y61 A62 | D36-W48 PolarHBondContact OD1-NE1 3.06Å; F38-W48 HydrophobicContact CD1-CB 3.94Å; F38-W48 HydrophobicContact CE1-CB 3.73Å; F38-W48 AromaticContact CE1-CD1 3.77Å; F38-W48 HydrophobicContact CE1-CG 4.18Å; F38-W48 AromaticContact CZ-CD1 3.81Å; W48-N51 HydrophobicContact CZ2-CB 3.88Å; W48-Y61 VanDerWaalsContact CZ3-C 3.42Å; W48-A62 HydrophobicContact CE3-CB 3.83Å; W48-A62 HydrophobicContact CZ3-CB 3.94Å; W48-A62 WeakPolarHBondContact O-CB 3.41Å |
| 49 | L | 97.5 | Very high | 95.2 | Very high | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | -49.3 | -174.4 | -67 | -173.3 | 0 | 0 | 0 | 114.1 | W37 R39 E47 Y61 A62 V65 F69 L82 Y95 | W37-L49 HydrophobicContact CB-CB 4.37Å; W37-L49 WeakPolarHBondContact O-CB 3.23Å; W37-L49 PolarHBondContact O-N 2.85Å; R39-L49 HydrophobicContact CB-CD1 3.84Å; R39-L49 HydrophobicContact CB-CG 4.32Å; R39-L49 HydrophobicContact CG-CD1 3.92Å; R39-L49 HydrophobicContact CG-CD2 3.8Å; R39-L49 HydrophobicContact CG-CG 3.99Å; E47-L49 HydrophobicContact CG-CD2 4.31Å; L49-Y61 CarbonylContact O-C 3.6Å; L49-Y61 WeakPolarHBondContact O-CA 3.45Å; L49-A62 PolarHBondContact O-N 2.95Å; L49-V65 HydrophobicContact CB-CG2 4.38Å; L49-V65 HydrophobicContact CD2-CG1 3.79Å; L49-V65 HydrophobicContact CD2-CG2 4.32Å; L49-V65 WeakPolarHBondContact O-CG2 3.31Å; L49-F69 HydrophobicContact CD1-CD2 4.45Å; L49-F69 HydrophobicContact CD1-CE2 4.2Å; L49-L82 HydrophobicContact CD1-CD2 4.22Å; L49-Y95 HydrophobicContact CD1-CD1 3.84Å; L49-Y95 HydrophobicContact CD1-CE1 3.43Å; L49-Y95 VanDerWaalsContact CD1-CE1 3.43Å |
| 50 | A | 98.1 | Very high | 95.3 | Very high | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.2 | 155.8 | -174.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | D36 W37 G60 Y61 I71 L82 | D36-A50 CarbonylContact C-O 3.59Å; D36-A50 WeakPolarHBondContact CA-O 3.5Å; W37-A50 PolarHBondContact N-O 3Å; A50-G60 CarbonylContact C-O 3.47Å; A50-G60 WeakPolarHBondContact CA-O 3.33Å; A50-Y61 HydrophobicContact CB-CD1 3.65Å; A50-Y61 HydrophobicContact CB-CE1 3.89Å; A50-I71 HydrophobicContact CB-CB 4.03Å; A50-I71 HydrophobicContact CB-CD1 4.24Å; A50-I71 HydrophobicContact CB-CG2 4.2Å; A50-L82 HydrophobicContact CB-CD1 4.24Å |
| 51 | N | 97.9 | Very high | 95.5 | Very high | 30 Ų | 30 | 66.2 Ų | 66.2 | 16% | 0.16 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 161.5 | 171.6 | 75.1 | -0.4 | 0 | 0 | 0 | 112.9 | W34 M35 D36 W48 K59 G60 I71 | W34-N51 HydrophobicContact CE3-CB 4.33Å; M35-N51 CarbonylContact O-C 3.55Å; M35-N51 WeakPolarHBondContact O-CA 3.39Å; M35-N51 WeakPolarHBondContact O-CB 3.43Å; D36-N51 HydrophobicContact CB-CB 4.45Å; D36-N51 WeakPolarHBondContact OD1-CB 3.43Å; W48-N51 HydrophobicContact CZ2-CB 3.88Å; N51-K59 VanDerWaalsContact O-CA 3.31Å; N51-K59 WeakPolarHBondContact O-CA 3.42Å; N51-G60 PolarHBondContact N-O 3.5Å; N51-G60 PolarHBondContact O-N 2.61Å; N51-G60 VanDerWaalsContact O-N 3.08Å; N51-G60 WeakPolarHBondContact OD1-CA 2.92Å; N51-G60 PolarHBondContact OD1-N 2.85Å; N51-I71 WeakPolarHBondContact O-CG2 3.2Å |
| 52 | T | 97.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 145 | 174 | -170.8 | 0 | 0 | 0 | 0 | 110.7 | W34 M35 G58 I71 R73 L80 | W34-T52 WeakPolarHBondContact CA-O 3.48Å; M35-T52 PolarHBondContact N-O 3.36Å; M35-T52 PolarHBondContact O-N 2.94Å; T52-G58 VanDerWaalsContact CA-O 3.31Å; T52-G58 WeakPolarHBondContact CA-O 3.19Å; T52-I71 HydrophobicContact CG2-CD1 3.91Å; T52-I71 HydrophobicContact CG2-CG1 4.11Å; T52-R73 HydrophobicContact CG2-CG 4.45Å; T52-L80 HydrophobicContact CG2-CD1 3.87Å |
| 53 | N | 95.7 | Very high | 96.1 | Very high | 15 Ų | 15 | 67.2 Ų | 67.2 | 8% | 0.08 | 35% | 0.354 | C | S | . | . | trans | -80.7 | -176.9 | 168.7 | 71.8 | -21.3 | 0 | 0 | 0 | 111.6 | W34 D55 E56 S57 G58 R73 | W34-N53 HydrophobicContact CD2-CB 3.81Å; W34-N53 VanDerWaalsContact CE2-CB 3.49Å; W34-N53 HydrophobicContact CE3-CB 4.16Å; W34-N53 HydrophobicContact CG-CB 4.4Å; W34-N53 HydrophobicContact CH2-CB 3.97Å; W34-N53 HydrophobicContact CZ2-CB 3.61Å; W34-N53 HydrophobicContact CZ3-CB 4.22Å; N53-D55 VanDerWaalsContact CG-OD1 3.24Å; N53-D55 PolarHBondContact ND2-OD1 2.86Å; N53-D55 PolarHBondContact O-N 2.7Å; N53-D55 PolarHBondContact OD1-OD1 3.11Å; N53-E56 PolarHBondContact O-N 2.93Å; N53-E56 WeakPolarHBondContact OD1-CA 3.42Å; N53-E56 PolarHBondContact OD1-N 3.33Å; N53-E56 VanDerWaalsContact OD1-N 3.14Å; N53-S57 PolarHBondContact ND2-OG 2.77Å; N53-S57 PolarHBondContact OD1-N 3.11Å; N53-G58 PolarHBondContact N-O 3.02Å; N53-G58 PolarHBondContact ND2-N 3.45Å; N53-G58 PolarHBondContact OD1-N 3.23Å; N53-G58 PolarHBondContact OD1-O 3.23Å; N53-R73 VanDerWaalsContact O-CD 3.26Å; N53-R73 WeakPolarHBondContact O-CD 3.38Å; N53-R73 PolarHBondContact O-NH1 3.07Å; N53-R73 VanDerWaalsContact O-NH1 3.17Å | ||
| 54 | H | 93.9 | Very high | 96.2 | Very high | 97 Ų | 97 | 64.8 Ų | 64.8 | 45% | 0.449 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -38.8 | -173.5 | 70 | -73.8 | 0 | 0 | 0 | 115.8 | S31 N75 | S31-H54 WeakPolarHBondContact O-CB 3.46Å; H54-N75 PolarHBondContact O-ND2 3.14Å |
| 55 | D | 93.2 | Very high | 96.4 | Very high | 89 Ų | 89 | 58.9 Ų | 58.9 | 48% | 0.476 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.9 | 10.1 | -176 | 68.2 | -6 | 0 | 0 | 0 | 112.8 | N53 S57 | N53-D55 VanDerWaalsContact CG-OD1 3.24Å; N53-D55 PolarHBondContact ND2-OD1 2.86Å; N53-D55 PolarHBondContact O-N 2.7Å; N53-D55 PolarHBondContact OD1-OD1 3.11Å; D55-S57 VanDerWaalsContact CG-OG 3.27Å; D55-S57 PolarHBondContact O-N 2.77Å; D55-S57 VanDerWaalsContact O-N 3.07Å; D55-S57 WeakPolarHBondContact OD1-CB 3.19Å; D55-S57 PolarHBondContact OD1-N 3.05Å; D55-S57 VanDerWaalsContact OD1-N 3.09Å; D55-S57 PolarHBondContact OD1-OG 2.8Å; D55-S57 PolarHBondContact OD2-OG 2.74Å |
| 56 | E | 94.5 | Very high | 96.5 | Very high | 66 Ų | 66 | 53 Ų | 53 | 31% | 0.308 | 27% | 0.274 | S | S | . | . | S | Bend | trans | 60.5 | 9.8 | -178.2 | -61.7 | -166.2 | 81.7 | 0 | 0 | 116 | N53 G58 K59 S72 R73 | N53-E56 PolarHBondContact O-N 2.93Å; N53-E56 WeakPolarHBondContact OD1-CA 3.42Å; N53-E56 PolarHBondContact OD1-N 3.33Å; N53-E56 VanDerWaalsContact OD1-N 3.14Å; E56-G58 VanDerWaalsContact C-N 3.33Å; E56-K59 WeakPolarHBondContact O-CE 2.96Å; E56-K59 WeakPolarHBondContact OE1-CE 3.46Å; E56-K59 IonicContact OE1-NZ 3.2Å; E56-K59 PolarHBondContact OE1-NZ 3.04Å; E56-S72 WeakPolarHBondContact OE1-CA 3.36Å; E56-R73 HydrophobicContact CG-CG 3.59Å; E56-R73 PolarHBondContact OE1-N 2.64Å |
| 57 | S | 95.9 | Very high | 96.5 | Very high | 94 Ų | 94 | 56.4 Ų | 56.4 | 66% | 0.657 | 29% | 0.292 | S | S | * | . | S | Bend | trans | -73.2 | -25.7 | 177 | 64.3 | 0 | 0 | 0 | 0 | 113.2 | N53 D55 | N53-S57 PolarHBondContact ND2-OG 2.77Å; N53-S57 PolarHBondContact OD1-N 3.11Å; D55-S57 VanDerWaalsContact CG-OG 3.27Å; D55-S57 PolarHBondContact O-N 2.77Å; D55-S57 VanDerWaalsContact O-N 3.07Å; D55-S57 WeakPolarHBondContact OD1-CB 3.19Å; D55-S57 PolarHBondContact OD1-N 3.05Å; D55-S57 VanDerWaalsContact OD1-N 3.09Å; D55-S57 PolarHBondContact OD1-OG 2.8Å; D55-S57 PolarHBondContact OD2-OG 2.74Å |
| 58 | G | 96 | Very high | 96.5 | Very high | 22 Ų | 22 | 54.4 Ų | 54.4 | 23% | 0.227 | 28% | 0.282 | C | S | . | . | trans | -113 | 106.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | T52 N53 E56 | T52-G58 VanDerWaalsContact CA-O 3.31Å; T52-G58 WeakPolarHBondContact CA-O 3.19Å; N53-G58 PolarHBondContact N-O 3.02Å; N53-G58 PolarHBondContact ND2-N 3.45Å; N53-G58 PolarHBondContact OD1-N 3.23Å; N53-G58 PolarHBondContact OD1-O 3.23Å; E56-G58 VanDerWaalsContact C-N 3.33Å | ||
| 59 | K | 97.7 | Very high | 96.4 | Very high | 83 Ų | 83 | 50.6 Ų | 50.6 | 36% | 0.361 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 134 | 174.9 | -63.4 | -174.7 | -177.7 | -169.5 | 0 | 111 | N51 E56 Y61 I71 | N51-K59 VanDerWaalsContact O-CA 3.31Å; N51-K59 WeakPolarHBondContact O-CA 3.42Å; E56-K59 WeakPolarHBondContact O-CE 2.96Å; E56-K59 WeakPolarHBondContact OE1-CE 3.46Å; E56-K59 IonicContact OE1-NZ 3.2Å; E56-K59 PolarHBondContact OE1-NZ 3.04Å; K59-Y61 HydrophobicContact CB-CE2 4.04Å; K59-I71 HydrophobicContact CB-CG2 4.48Å; K59-I71 HydrophobicContact CD-CG2 4.12Å; K59-I71 HydrophobicContact CG-CG2 4.27Å; K59-I71 PolarHBondContact NZ-O 2.95Å |
| 60 | G | 97.8 | Very high | 96.4 | Very high | 18 Ų | 18 | 53.2 Ų | 53.2 | 19% | 0.186 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 149.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | A50 N51 | A50-G60 CarbonylContact C-O 3.47Å; A50-G60 WeakPolarHBondContact CA-O 3.33Å; N51-G60 PolarHBondContact N-O 3.5Å; N51-G60 PolarHBondContact O-N 2.61Å; N51-G60 VanDerWaalsContact O-N 3.08Å; N51-G60 WeakPolarHBondContact OD1-CA 2.92Å; N51-G60 PolarHBondContact OD1-N 2.85Å |
| 61 | Y | 98.4 | Very high | 96.4 | Very high | 67 Ų | 67 | 53.3 Ų | 53.3 | 26% | 0.263 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 141.6 | 175 | -61.6 | -84 | 0 | 0 | 0 | 110.3 | W48 L49 A50 K59 F69 I71 | W48-Y61 VanDerWaalsContact CZ3-C 3.42Å; L49-Y61 CarbonylContact O-C 3.6Å; L49-Y61 WeakPolarHBondContact O-CA 3.45Å; A50-Y61 HydrophobicContact CB-CD1 3.65Å; A50-Y61 HydrophobicContact CB-CE1 3.89Å; K59-Y61 HydrophobicContact CB-CE2 4.04Å; Y61-F69 WeakPolarHBondContact CE1-O 3.42Å; Y61-I71 HydrophobicContact CE1-CB 4.37Å; Y61-I71 HydrophobicContact CE1-CG2 4Å; Y61-I71 PolarHBondContact OH-N 3.37Å; Y61-I71 VanDerWaalsContact OH-N 3.11Å |
| 62 | A | 97.8 | Very high | 96.4 | Very high | 12 Ų | 12 | 53.6 Ų | 53.6 | 10% | 0.099 | 29% | 0.291 | C | S | . | . | trans | -69.7 | 145.6 | 169.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | W48 L49 S64 V65 K66 | W48-A62 HydrophobicContact CE3-CB 3.83Å; W48-A62 HydrophobicContact CZ3-CB 3.94Å; W48-A62 WeakPolarHBondContact O-CB 3.41Å; L49-A62 PolarHBondContact O-N 2.95Å; A62-S64 PolarHBondContact O-N 3.3Å; A62-S64 VanDerWaalsContact O-N 3.11Å; A62-V65 HydrophobicContact CB-CG2 4.22Å; A62-V65 WeakPolarHBondContact O-CG2 3.16Å; A62-V65 PolarHBondContact O-N 2.8Å; A62-K66 PolarHBondContact O-N 2.92Å | ||
| 63 | E | 97.1 | Very high | 96.3 | Very high | 151 Ų | 151 | 54.3 Ų | 54.3 | 71% | 0.706 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -28.5 | -176.8 | -163.6 | 61.1 | -155.5 | 0 | 0 | 112.5 | V65 K66 | E63-V65 VanDerWaalsContact C-N 3.26Å; E63-V65 PolarHBondContact O-N 2.79Å; E63-K66 WeakPolarHBondContact OE2-CD 3.33Å; E63-K66 IonicContact OE2-NZ 2.84Å |
| 64 | S | 94.9 | Very high | 96.2 | Very high | 44 Ų | 44 | 56.1 Ų | 56.1 | 31% | 0.308 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -23.4 | 178.3 | 57.3 | 0 | 0 | 0 | 0 | 114.2 | E47 A62 R68 | E47-S64 WeakPolarHBondContact OE1-CB 3.35Å; E47-S64 PolarHBondContact OE1-OG 2.76Å; A62-S64 PolarHBondContact O-N 3.3Å; A62-S64 VanDerWaalsContact O-N 3.11Å; S64-R68 PolarHBondContact O-NH2 3.45Å |
| 65 | V | 96.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -124.8 | -4.7 | -174.9 | -58.9 | 0 | 0 | 0 | 0 | 113.5 | L49 A62 E63 D67 R68 F69 | L49-V65 HydrophobicContact CB-CG2 4.38Å; L49-V65 HydrophobicContact CD2-CG1 3.79Å; L49-V65 HydrophobicContact CD2-CG2 4.32Å; L49-V65 WeakPolarHBondContact O-CG2 3.31Å; A62-V65 HydrophobicContact CB-CG2 4.22Å; A62-V65 WeakPolarHBondContact O-CG2 3.16Å; A62-V65 PolarHBondContact O-N 2.8Å; E63-V65 VanDerWaalsContact C-N 3.26Å; E63-V65 PolarHBondContact O-N 2.79Å; V65-D67 PolarHBondContact O-N 2.83Å; V65-R68 PolarHBondContact O-N 2.84Å; V65-F69 HydrophobicContact CB-CB 4.02Å; V65-F69 HydrophobicContact CB-CD1 4.28Å; V65-F69 HydrophobicContact CB-CD2 3.51Å; V65-F69 HydrophobicContact CB-CE2 3.94Å; V65-F69 HydrophobicContact CB-CG 3.69Å; V65-F69 HydrophobicContact CB-CZ 4.47Å; V65-F69 HydrophobicContact CG1-CD2 3.54Å; V65-F69 HydrophobicContact CG1-CE2 3.42Å; V65-F69 VanDerWaalsContact CG1-CE2 3.42Å; V65-F69 HydrophobicContact CG1-CG 4.14Å; V65-F69 HydrophobicContact CG1-CZ 3.94Å; V65-F69 HydrophobicContact CG2-CB 4.27Å; V65-F69 HydrophobicContact CG2-CD2 4.01Å; V65-F69 HydrophobicContact CG2-CG 4.33Å; V65-F69 PolarHBondContact O-N 3.01Å |
| 66 | K | 95.8 | Very high | 96.2 | Very high | 98 Ų | 98 | 54.9 Ų | 54.9 | 43% | 0.426 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.2 | 138.9 | 173 | -165.6 | 176.9 | -179.3 | -176.5 | 0 | 110 | A62 E63 R68 | A62-K66 PolarHBondContact O-N 2.92Å; E63-K66 WeakPolarHBondContact OE2-CD 3.33Å; E63-K66 IonicContact OE2-NZ 2.84Å; K66-R68 PolarHBondContact O-N 3.06Å |
| 67 | D | 95.9 | Very high | 96.1 | Very high | 156 Ų | 156 | 57.4 Ų | 57.4 | 83% | 0.834 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.3 | -5.2 | -175.5 | -47.4 | -39.3 | 0 | 0 | 0 | 116.3 | V65 | V65-D67 PolarHBondContact O-N 2.83Š|
| 68 | R | 96.5 | Very high | 95.9 | Very high | 17 Ų | 17 | 55.7 Ų | 55.7 | 6% | 0.064 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110.6 | -41 | 178.5 | -58.6 | -170.5 | -55.5 | 110.6 | -3.8 | 112 | S64 V65 K66 N85 S86 D91 | S64-R68 PolarHBondContact O-NH2 3.45Å; V65-R68 PolarHBondContact O-N 2.84Å; K66-R68 PolarHBondContact O-N 3.06Å; R68-N85 VanDerWaalsContact O-CB 3.3Å; R68-N85 WeakPolarHBondContact O-CB 3.28Å; R68-N85 PolarHBondContact O-N 3.48Å; R68-N85 PolarHBondContact O-ND2 3.08Å; R68-S86 PolarHBondContact NH1-O 3.45Å; R68-D91 IonicContact CZ-OD1 3.68Å; R68-D91 IonicContact CZ-OD2 3.51Å; R68-D91 IonicContact NH1-OD1 3.56Å; R68-D91 IonicContact NH1-OD2 2.69Å; R68-D91 PolarHBondContact NH1-OD2 2.95Å; R68-D91 IonicContact NH2-OD1 2.87Å; R68-D91 PolarHBondContact NH2-OD1 2Å; R68-D91 IonicContact NH2-OD2 3.48Å; R68-D91 PolarHBondContact NH2-OD2 3.47Å |
| 69 | F | 96.4 | Very high | 95.9 | Very high | 3 Ų | 3 | 55.9 Ų | 55.9 | 1% | 0.013 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 153.2 | -177.3 | -65.8 | 8.1 | 0 | 0 | 0 | 110.6 | L49 Y61 V65 L82 Q83 M84 L87 D91 Y95 | L49-F69 HydrophobicContact CD1-CD2 4.45Å; L49-F69 HydrophobicContact CD1-CE2 4.2Å; Y61-F69 WeakPolarHBondContact CE1-O 3.42Å; V65-F69 HydrophobicContact CB-CB 4.02Å; V65-F69 HydrophobicContact CB-CD1 4.28Å; V65-F69 HydrophobicContact CB-CD2 3.51Å; V65-F69 HydrophobicContact CB-CE2 3.94Å; V65-F69 HydrophobicContact CB-CG 3.69Å; V65-F69 HydrophobicContact CB-CZ 4.47Å; V65-F69 HydrophobicContact CG1-CD2 3.54Å; V65-F69 HydrophobicContact CG1-CE2 3.42Å; V65-F69 VanDerWaalsContact CG1-CE2 3.42Å; V65-F69 HydrophobicContact CG1-CG 4.14Å; V65-F69 HydrophobicContact CG1-CZ 3.94Å; V65-F69 HydrophobicContact CG2-CB 4.27Å; V65-F69 HydrophobicContact CG2-CD2 4.01Å; V65-F69 HydrophobicContact CG2-CG 4.33Å; V65-F69 PolarHBondContact O-N 3.01Å; F69-L82 HydrophobicContact CB-CD1 4.23Å; F69-L82 HydrophobicContact CD2-CD1 4.4Å; F69-L82 HydrophobicContact CD2-CD2 4.1Å; F69-L82 HydrophobicContact CD2-CG 4.4Å; F69-L82 HydrophobicContact CE2-CD2 4.49Å; F69-Q83 CarbonylContact C-O 3.46Å; F69-Q83 WeakPolarHBondContact CA-O 3.31Å; F69-M84 HydrophobicContact CD1-CB 3.79Å; F69-M84 HydrophobicContact CD1-CG 4.06Å; F69-M84 HydrophobicContact CD2-CG 4.07Å; F69-M84 HydrophobicContact CE1-CB 3.65Å; F69-M84 HydrophobicContact CE1-CE 4.1Å; F69-M84 HydrophobicContact CE1-CG 4.01Å; F69-M84 HydrophobicContact CE2-CE 3.65Å; F69-M84 HydrophobicContact CE2-CG 4Å; F69-M84 HydrophobicContact CG-CB 4.34Å; F69-M84 HydrophobicContact CG-CG 4.13Å; F69-M84 HydrophobicContact CZ-CB 4.07Å; F69-M84 HydrophobicContact CZ-CE 3.37Å; F69-M84 HydrophobicContact CZ-CG 3.99Å; F69-L87 HydrophobicContact CE1-CD2 4.38Å; F69-D91 HydrophobicContact CZ-CB 4.17Å; F69-Y95 HydrophobicContact CE2-CE1 4.4Å |
| 70 | S | 97.4 | Very high | 95.8 | Very high | 55 Ų | 55 | 51.9 Ų | 51.9 | 39% | 0.385 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 124.3 | 177.5 | -58.1 | 0 | 0 | 0 | 0 | 109.6 | Q83 | S70-Q83 PolarHBondContact N-O 2.8Å; S70-Q83 PolarHBondContact O-N 2.84Å |
| 71 | I | 97.7 | Very high | 95.8 | Very high | 2 Ų | 2 | 53.3 Ų | 53.3 | 1% | 0.01 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 139.6 | 176.5 | -166.4 | 174.4 | 0 | 0 | 0 | 109.4 | A50 N51 T52 K59 Y61 L80 Y81 L82 | A50-I71 HydrophobicContact CB-CB 4.03Å; A50-I71 HydrophobicContact CB-CD1 4.24Å; A50-I71 HydrophobicContact CB-CG2 4.2Å; N51-I71 WeakPolarHBondContact O-CG2 3.2Å; T52-I71 HydrophobicContact CG2-CD1 3.91Å; T52-I71 HydrophobicContact CG2-CG1 4.11Å; K59-I71 HydrophobicContact CB-CG2 4.48Å; K59-I71 HydrophobicContact CD-CG2 4.12Å; K59-I71 HydrophobicContact CG-CG2 4.27Å; K59-I71 PolarHBondContact NZ-O 2.95Å; Y61-I71 HydrophobicContact CE1-CB 4.37Å; Y61-I71 HydrophobicContact CE1-CG2 4Å; Y61-I71 PolarHBondContact OH-N 3.37Å; Y61-I71 VanDerWaalsContact OH-N 3.11Å; I71-L80 HydrophobicContact CD1-CD1 3.98Å; I71-L80 HydrophobicContact CG1-CD1 3.99Å; I71-Y81 WeakPolarHBondContact CA-O 3.38Å; I71-Y81 WeakPolarHBondContact CG1-O 3.41Å; I71-L82 HydrophobicContact CB-CD1 4.49Å |
| 72 | S | 97.1 | Very high | 95.7 | Very high | 37 Ų | 37 | 50.1 Ų | 50.1 | 26% | 0.259 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 164.3 | 173.8 | 53.4 | 0 | 0 | 0 | 0 | 110.5 | E56 Y81 | E56-S72 WeakPolarHBondContact OE1-CA 3.36Å; S72-Y81 PolarHBondContact N-O 2.94Å; S72-Y81 PolarHBondContact O-N 3.16Å |
| 73 | R | 95.9 | Very high | 95.6 | Very high | 15 Ų | 15 | 52.2 Ų | 52.2 | 6% | 0.057 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 153.8 | 180 | 64.8 | -172.2 | -63.5 | 159.2 | 3.4 | 111.9 | F30 H33 T52 N53 E56 N75 L79 L80 | F30-R73 VanDerWaalsContact C-NH2 3.28Å; F30-R73 HydrophobicContact CE1-CB 4.18Å; F30-R73 HydrophobicContact CZ-CB 4.28Å; F30-R73 PolarHBondContact O-NH2 3.09Å; H33-R73 PolarHBondContact O-NH1 2.99Å; T52-R73 HydrophobicContact CG2-CG 4.45Å; N53-R73 VanDerWaalsContact O-CD 3.26Å; N53-R73 WeakPolarHBondContact O-CD 3.38Å; N53-R73 PolarHBondContact O-NH1 3.07Å; N53-R73 VanDerWaalsContact O-NH1 3.17Å; E56-R73 HydrophobicContact CG-CG 3.59Å; E56-R73 PolarHBondContact OE1-N 2.64Å; R73-N75 PolarHBondContact NE-OD1 3.47Å; R73-N75 PolarHBondContact NH2-OD1 3.31Å; R73-L79 CarbonylContact C-O 3.54Å; R73-L79 VanDerWaalsContact CA-O 3.23Å; R73-L79 WeakPolarHBondContact CA-O 3.26Å; R73-L80 HydrophobicContact CB-CD1 4.12Å |
| 74 | D | 94.6 | Very high | 95.5 | Very high | 53 Ų | 53 | 45.2 Ų | 45.2 | 28% | 0.283 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 107.6 | 168.5 | -170.3 | -31.3 | 0 | 0 | 0 | 108.3 | S76 E77 N78 L79 Y81 | D74-S76 VanDerWaalsContact C-N 3.29Å; D74-S76 PolarHBondContact O-N 3.03Å; D74-S76 WeakPolarHBondContact OD1-CA 3.06Å; D74-S76 WeakPolarHBondContact OD1-CB 3.14Å; D74-S76 PolarHBondContact OD1-N 2.96Å; D74-S76 PolarHBondContact OD1-OG 2.98Å; D74-E77 HydrophobicContact CB-CB 4.39Å; D74-E77 PolarHBondContact OD1-N 3.08Å; D74-N78 WeakPolarHBondContact O-CA 3.38Å; D74-N78 PolarHBondContact O-N 2.78Å; D74-L79 HydrophobicContact CB-CB 4.38Å; D74-L79 PolarHBondContact N-O 3.06Å; D74-L79 PolarHBondContact O-N 2.75Å; D74-Y81 HydrophobicContact CB-CE2 4.27Å |
| 75 | N | 93.4 | Very high | 95.5 | Very high | 65 Ų | 65 | 45.5 Ų | 45.5 | 35% | 0.348 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | -17.9 | -179.4 | -70.6 | -26.8 | 0 | 0 | 0 | 113.2 | H54 R73 N78 | H54-N75 PolarHBondContact O-ND2 3.14Å; R73-N75 PolarHBondContact NE-OD1 3.47Å; R73-N75 PolarHBondContact NH2-OD1 3.31Å; N75-N78 PolarHBondContact O-OD1 3.47Å |
| 76 | S | 92.4 | Very high | 95.4 | Very high | 95 Ų | 95 | 48.8 Ų | 48.8 | 66% | 0.664 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.1 | -33.8 | 177.6 | 65.7 | 0 | 0 | 0 | 0 | 111.9 | D74 | D74-S76 VanDerWaalsContact C-N 3.29Å; D74-S76 PolarHBondContact O-N 3.03Å; D74-S76 WeakPolarHBondContact OD1-CA 3.06Å; D74-S76 WeakPolarHBondContact OD1-CB 3.14Å; D74-S76 PolarHBondContact OD1-N 2.96Å; D74-S76 PolarHBondContact OD1-OG 2.98Å |
| 77 | E | 92.3 | Very high | 95.2 | Very high | 119 Ų | 119 | 44.9 Ų | 44.9 | 56% | 0.556 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -101.4 | 0.9 | 179.2 | -60 | -66.2 | 144.4 | 0 | 0 | 112.8 | D74 L79 | D74-E77 HydrophobicContact CB-CB 4.39Å; D74-E77 PolarHBondContact OD1-N 3.08Å; E77-L79 VanDerWaalsContact C-N 3.25Å; E77-L79 HydrophobicContact CB-CB 4.5Å; E77-L79 HydrophobicContact CB-CD1 3.72Å; E77-L79 HydrophobicContact CB-CG 4.04Å; E77-L79 PolarHBondContact O-N 2.94Å |
| 78 | N | 93.4 | Very high | 95 | Very high | 57 Ų | 57 | 43.9 Ų | 43.9 | 31% | 0.305 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.1 | 40.2 | -173.4 | -57.2 | -41.5 | 0 | 0 | 0 | 114 | E24 F30 D74 N75 | E24-N78 HydrophobicContact CB-CB 3.81Å; E24-N78 PolarHBondContact N-O 2.92Å; F30-N78 HydrophobicContact CB-CB 4.03Å; F30-N78 WeakPolarHBondContact CB-OD1 3.31Å; F30-N78 HydrophobicContact CD1-CB 4.28Å; F30-N78 HydrophobicContact CG-CB 4.06Å; D74-N78 WeakPolarHBondContact O-CA 3.38Å; D74-N78 PolarHBondContact O-N 2.78Å; N75-N78 PolarHBondContact O-OD1 3.47Å |
| 79 | L | 95.1 | Very high | 94.7 | Very high | 26 Ų | 26 | 49 Ų | 49 | 14% | 0.136 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 132.3 | -177.2 | -72.3 | 167.4 | 0 | 0 | 0 | 111.5 | C22 E23 R73 D74 E77 Y81 | C22-L79 CarbonylContact O-C 3.56Å; C22-L79 WeakPolarHBondContact O-CA 3.39Å; E23-L79 HydrophobicContact CB-CD2 3.56Å; E23-L79 HydrophobicContact CG-CD2 3.72Å; E23-L79 HydrophobicContact CG-CG 4.46Å; R73-L79 CarbonylContact C-O 3.54Å; R73-L79 VanDerWaalsContact CA-O 3.23Å; R73-L79 WeakPolarHBondContact CA-O 3.26Å; D74-L79 HydrophobicContact CB-CB 4.38Å; D74-L79 PolarHBondContact N-O 3.06Å; D74-L79 PolarHBondContact O-N 2.75Å; E77-L79 VanDerWaalsContact C-N 3.25Å; E77-L79 HydrophobicContact CB-CB 4.5Å; E77-L79 HydrophobicContact CB-CD1 3.72Å; E77-L79 HydrophobicContact CB-CG 4.04Å; E77-L79 PolarHBondContact O-N 2.94Å; L79-Y81 HydrophobicContact CB-CE1 4.09Å; L79-Y81 HydrophobicContact CB-CE2 4.07Å; L79-Y81 HydrophobicContact CD1-CE1 4.34Å; L79-Y81 WeakPolarHBondContact CD1-OH 3.26Å |
| 80 | L | 96.2 | Very high | 94.4 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 135.9 | 166.5 | -174.5 | 72.9 | 0 | 0 | 0 | 109 | S21 C22 F30 M35 W37 T52 I71 R73 C97 | S21-L80 CarbonylContact C-O 3.46Å; S21-L80 VanDerWaalsContact CA-O 3.23Å; S21-L80 WeakPolarHBondContact CA-O 3.42Å; C22-L80 HydrophobicContact CB-CB 4.11Å; C22-L80 PolarHBondContact N-O 2.89Å; C22-L80 PolarHBondContact O-N 3.17Å; F30-L80 HydrophobicContact CE2-CB 4.23Å; F30-L80 HydrophobicContact CZ-CB 3.98Å; M35-L80 HydrophobicContact CB-CD1 3.57Å; M35-L80 HydrophobicContact CB-CD2 3.72Å; M35-L80 HydrophobicContact CB-CG 4.2Å; M35-L80 HydrophobicContact CE-CD2 4.36Å; M35-L80 HydrophobicContact CG-CD1 4.23Å; W37-L80 HydrophobicContact CD2-CD2 4.5Å; W37-L80 HydrophobicContact CG-CD2 4.43Å; W37-L80 HydrophobicContact CZ2-CD2 4.37Å; W37-L80 VanDerWaalsContact NE1-CD2 3.25Å; T52-L80 HydrophobicContact CG2-CD1 3.87Å; I71-L80 HydrophobicContact CD1-CD1 3.98Å; I71-L80 HydrophobicContact CG1-CD1 3.99Å; R73-L80 HydrophobicContact CB-CD1 4.12Å; L80-C97 HydrophobicContact CD2-CB 4.01Å |
| 81 | Y | 96.5 | Very high | 94.1 | Very high | 47 Ų | 47 | 53.2 Ų | 53.2 | 18% | 0.184 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 143.7 | 179.5 | -57.3 | -65.8 | 0 | 0 | 0 | 112.3 | K19 L20 I71 S72 D74 L79 | K19-Y81 HydrophobicContact CD-CD1 4.42Å; K19-Y81 VanDerWaalsContact CE-CB 3.4Å; L20-Y81 VanDerWaalsContact O-CA 3.28Å; L20-Y81 WeakPolarHBondContact O-CA 3.41Å; I71-Y81 WeakPolarHBondContact CA-O 3.38Å; I71-Y81 WeakPolarHBondContact CG1-O 3.41Å; S72-Y81 PolarHBondContact N-O 2.94Å; S72-Y81 PolarHBondContact O-N 3.16Å; D74-Y81 HydrophobicContact CB-CE2 4.27Å; L79-Y81 HydrophobicContact CB-CE1 4.09Å; L79-Y81 HydrophobicContact CB-CE2 4.07Å; L79-Y81 HydrophobicContact CD1-CE1 4.34Å; L79-Y81 WeakPolarHBondContact CD1-OH 3.26Å |
| 82 | L | 97.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 104 | 165.9 | -169.6 | 67.2 | 0 | 0 | 0 | 108.9 | K19 L20 W37 L49 A50 F69 I71 M84 Y95 | K19-L82 WeakPolarHBondContact CA-O 3.3Å; L20-L82 HydrophobicContact CB-CB 4.23Å; L20-L82 HydrophobicContact CD1-CD2 4.18Å; L20-L82 PolarHBondContact N-O 2.84Å; L20-L82 PolarHBondContact O-N 2.95Å; W37-L82 HydrophobicContact CB-CD1 4.47Å; W37-L82 HydrophobicContact CB-CD2 4.18Å; W37-L82 HydrophobicContact CD2-CB 3.98Å; W37-L82 HydrophobicContact CD2-CD2 4.19Å; W37-L82 HydrophobicContact CG-CB 4.07Å; W37-L82 HydrophobicContact CG-CD1 4.24Å; W37-L82 HydrophobicContact CG-CD2 4.03Å; W37-L82 HydrophobicContact CG-CG 4.35Å; W37-L82 HydrophobicContact CZ2-CB 4.25Å; L49-L82 HydrophobicContact CD1-CD2 4.22Å; A50-L82 HydrophobicContact CB-CD1 4.24Å; F69-L82 HydrophobicContact CB-CD1 4.23Å; F69-L82 HydrophobicContact CD2-CD1 4.4Å; F69-L82 HydrophobicContact CD2-CD2 4.1Å; F69-L82 HydrophobicContact CD2-CG 4.4Å; F69-L82 HydrophobicContact CE2-CD2 4.49Å; I71-L82 HydrophobicContact CB-CD1 4.49Å; L82-M84 HydrophobicContact CD2-CG 4Å; L82-M84 HydrophobicContact CD2-SD 4.25Å; L82-M84 HydrophobicContact CG-CG 3.92Å; L82-Y95 HydrophobicContact CD2-CD1 4.12Å; L82-Y95 HydrophobicContact CD2-CE1 4.2Å |
| 83 | Q | 96.1 | Very high | 93.6 | Very high | 57 Ų | 57 | 57.5 Ų | 57.5 | 27% | 0.266 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 122.7 | 168.5 | -179.8 | 61.6 | 41.2 | 0 | 0 | 108.2 | F69 S70 N85 | F69-Q83 CarbonylContact C-O 3.46Å; F69-Q83 WeakPolarHBondContact CA-O 3.31Å; S70-Q83 PolarHBondContact N-O 2.8Å; S70-Q83 PolarHBondContact O-N 2.84Å; Q83-N85 PolarHBondContact NE2-OD1 2.82Å |
| 84 | M | 95.4 | Very high | 93.5 | Very high | 4 Ų | 4 | 62.1 Ų | 62.1 | 2% | 0.02 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 112.6 | -178 | -56.9 | 166.3 | 72 | 0 | 0 | 108.8 | S17 T18 L20 F69 L82 L87 D91 Y95 | S17-M84 CarbonylContact C-O 3.48Å; S17-M84 WeakPolarHBondContact CA-O 3.4Å; S17-M84 WeakPolarHBondContact CB-O 3.05Å; T18-M84 HydrophobicContact CG2-CB 4Å; T18-M84 HydrophobicContact CG2-CE 4.49Å; T18-M84 HydrophobicContact CG2-CG 4.33Å; T18-M84 HydrophobicContact CG2-SD 3.61Å; T18-M84 PolarHBondContact N-O 3.3Å; T18-M84 PolarHBondContact O-N 2.76Å; L20-M84 HydrophobicContact CD1-SD 3.69Å; L20-M84 HydrophobicContact CD2-SD 4.13Å; L20-M84 HydrophobicContact CG-SD 3.69Å; F69-M84 HydrophobicContact CD1-CB 3.79Å; F69-M84 HydrophobicContact CD1-CG 4.06Å; F69-M84 HydrophobicContact CD2-CG 4.07Å; F69-M84 HydrophobicContact CE1-CB 3.65Å; F69-M84 HydrophobicContact CE1-CE 4.1Å; F69-M84 HydrophobicContact CE1-CG 4.01Å; F69-M84 HydrophobicContact CE2-CE 3.65Å; F69-M84 HydrophobicContact CE2-CG 4Å; F69-M84 HydrophobicContact CG-CB 4.34Å; F69-M84 HydrophobicContact CG-CG 4.13Å; F69-M84 HydrophobicContact CZ-CB 4.07Å; F69-M84 HydrophobicContact CZ-CE 3.37Å; F69-M84 HydrophobicContact CZ-CG 3.99Å; L82-M84 HydrophobicContact CD2-CG 4Å; L82-M84 HydrophobicContact CD2-SD 4.25Å; L82-M84 HydrophobicContact CG-CG 3.92Å; M84-L87 HydrophobicContact CB-CD2 3.82Å; M84-L87 HydrophobicContact CE-CD2 3.62Å; M84-D91 HydrophobicContact CE-CB 4.44Å; M84-Y95 HydrophobicContact CE-CE1 3.59Å; M84-Y95 HydrophobicContact CE-CE2 4.04Å; M84-Y95 WeakPolarHBondContact CE-OH 3.49Å; M84-Y95 HydrophobicContact SD-CE1 4.19Å |
| 85 | N | 93.9 | Very high | 93.5 | Very high | 50 Ų | 50 | 61.2 Ų | 61.2 | 27% | 0.267 | 32% | 0.321 | S | S | . | . | trans | -108.9 | 160.4 | 178.2 | -49.8 | -56 | 0 | 0 | 0 | 110.8 | S17 R68 Q83 L87 | S17-N85 PolarHBondContact OG-OD1 3.15Å; R68-N85 VanDerWaalsContact O-CB 3.3Å; R68-N85 WeakPolarHBondContact O-CB 3.28Å; R68-N85 PolarHBondContact O-N 3.48Å; R68-N85 PolarHBondContact O-ND2 3.08Å; Q83-N85 PolarHBondContact NE2-OD1 2.82Å; N85-L87 VanDerWaalsContact C-N 3.3Å; N85-L87 PolarHBondContact O-N 2.7Å | ||
| 86 | S | 93.7 | Very high | 93.5 | Very high | 69 Ų | 69 | 62 Ų | 62 | 48% | 0.483 | 32% | 0.32 | S | S | . | . | S | Bend | trans | 51.3 | 50.1 | 176.4 | -58.2 | 0 | 0 | 0 | 0 | 112.1 | G16 R68 R88 | G16-S86 PolarHBondContact O-N 2.91Å; G16-S86 VanDerWaalsContact O-N 3.15Å; R68-S86 PolarHBondContact NH1-O 3.45Å; S86-R88 PolarHBondContact O-N 3.28Å |
| 87 | L | 92.7 | Very high | 93.6 | Very high | 16 Ų | 16 | 58 Ų | 58 | 8% | 0.084 | 29% | 0.292 | C | S | . | . | trans | -57.3 | 135.3 | -176.4 | -72.1 | 170.3 | 0 | 0 | 0 | 111.5 | G15 G16 T18 F69 M84 N85 D91 | G15-L87 PolarHBondContact N-O 2.93Å; G16-L87 WeakPolarHBondContact O-CG 3.3Å; G16-L87 PolarHBondContact O-N 3.2Å; T18-L87 HydrophobicContact CG2-CD1 3.96Å; T18-L87 HydrophobicContact CG2-CD2 4.43Å; F69-L87 HydrophobicContact CE1-CD2 4.38Å; M84-L87 HydrophobicContact CB-CD2 3.82Å; M84-L87 HydrophobicContact CE-CD2 3.62Å; N85-L87 VanDerWaalsContact C-N 3.3Å; N85-L87 PolarHBondContact O-N 2.7Å; L87-D91 HydrophobicContact CD2-CB 4.1Å | ||
| 88 | R | 91.9 | Very high | 93.6 | Very high | 134 Ų | 134 | 53.9 Ų | 53.9 | 51% | 0.506 | 28% | 0.278 | S | S | . | . | trans | -112.3 | 162.8 | 175.7 | -58.8 | 177.9 | -178.3 | 172 | 1.3 | 109.4 | S86 E90 D91 | S86-R88 PolarHBondContact O-N 3.28Å; R88-E90 PolarHBondContact O-N 3.29Å; R88-D91 PolarHBondContact N-OD2 3.05Å; R88-D91 WeakPolarHBondContact O-CB 3.13Å; R88-D91 PolarHBondContact O-N 3.06Å | ||
| 89 | N | 88.8 | Confident | 93.4 | Very high | 125 Ų | 125 | 57.7 Ų | 57.7 | 67% | 0.668 | 29% | 0.288 | S | S | * | . | G | 310 helix | trans | -55.9 | -36.3 | 175.3 | -69 | -16.1 | 0 | 0 | 0 | 112 | D91 T92 | N89-D91 PolarHBondContact O-N 3.24Å; N89-T92 VanDerWaalsContact O-CB 3.31Å; N89-T92 WeakPolarHBondContact O-CB 3.32Å; N89-T92 PolarHBondContact O-N 2.77Å; N89-T92 VanDerWaalsContact O-N 3.1Å; N89-T92 PolarHBondContact O-OG1 3.17Å |
| 90 | E | 89.8 | Confident | 93.3 | Very high | 140 Ų | 140 | 59.3 Ų | 59.3 | 65% | 0.654 | 30% | 0.296 | S | S | * | . | G | 310 helix | trans | -61.3 | -21.1 | 175.9 | -65.3 | 160.4 | -156 | 0 | 0 | 114 | R88 T92 | R88-E90 PolarHBondContact O-N 3.29Å; E90-T92 PolarHBondContact O-N 3.01Å |
| 91 | D | 92.3 | Very high | 93.2 | Very high | 7 Ų | 7 | 62.4 Ų | 62.4 | 4% | 0.037 | 31% | 0.311 | C | S | . | . | G | 310 helix | trans | -82.2 | 1.3 | 177.4 | -56 | -45.9 | 0 | 0 | 0 | 112.3 | R39 R68 F69 M84 L87 R88 N89 A93 Y95 | R39-D91 IonicContact NH1-OD1 2.7Å; R39-D91 PolarHBondContact NH1-OD1 2.6Å; R68-D91 IonicContact CZ-OD1 3.68Å; R68-D91 IonicContact CZ-OD2 3.51Å; R68-D91 IonicContact NH1-OD1 3.56Å; R68-D91 IonicContact NH1-OD2 2.69Å; R68-D91 PolarHBondContact NH1-OD2 2.95Å; R68-D91 IonicContact NH2-OD1 2.87Å; R68-D91 PolarHBondContact NH2-OD1 2Å; R68-D91 IonicContact NH2-OD2 3.48Å; R68-D91 PolarHBondContact NH2-OD2 3.47Å; F69-D91 HydrophobicContact CZ-CB 4.17Å; M84-D91 HydrophobicContact CE-CB 4.44Å; L87-D91 HydrophobicContact CD2-CB 4.1Å; R88-D91 PolarHBondContact N-OD2 3.05Å; R88-D91 WeakPolarHBondContact O-CB 3.13Å; R88-D91 PolarHBondContact O-N 3.06Å; N89-D91 PolarHBondContact O-N 3.24Å; D91-A93 PolarHBondContact O-N 3.45Å; D91-Y95 WeakPolarHBondContact O-CE2 3.09Å; D91-Y95 PolarHBondContact O-OH 3.42Å |
| 92 | T | 90.7 | Very high | 93 | Very high | 104 Ų | 104 | 63.2 Ų | 63.2 | 64% | 0.638 | 32% | 0.318 | S | S | * | . | trans | -77.8 | 104 | 175.4 | -53.6 | 0 | 0 | 0 | 0 | 109.8 | N89 E90 | N89-T92 VanDerWaalsContact O-CB 3.31Å; N89-T92 WeakPolarHBondContact O-CB 3.32Å; N89-T92 PolarHBondContact O-N 2.77Å; N89-T92 VanDerWaalsContact O-N 3.1Å; N89-T92 PolarHBondContact O-OG1 3.17Å; E90-T92 PolarHBondContact O-N 3.01Å | ||
| 93 | A | 93.3 | Very high | 92.7 | Very high | 25 Ų | 25 | 66.9 Ų | 66.9 | 21% | 0.207 | 34% | 0.337 | C | S | . | . | S | Bend | trans | -156.8 | 168.5 | -174.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | R39 Q40 A41 D91 Y95 | R39-A93 HydrophobicContact CB-CB 3.83Å; R39-A93 HydrophobicContact CG-CB 4.36Å; Q40-A93 WeakPolarHBondContact O-CB 2.86Å; A41-A93 HydrophobicContact CB-CB 4.27Å; D91-A93 PolarHBondContact O-N 3.45Å; A93-Y95 HydrophobicContact CB-CD2 4.48Å; A93-Y95 HydrophobicContact CB-CE2 3.95Å; A93-Y95 VanDerWaalsContact O-CD2 3.26Å; A93-Y95 WeakPolarHBondContact O-CD2 3.41Å; A93-Y95 WeakPolarHBondContact O-CE2 3.23Å |
| 94 | L | 93.1 | Very high | 92.5 | Very high | 111 Ų | 111 | 67.6 Ų | 67.6 | 58% | 0.581 | 34% | 0.341 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 139.7 | 158.4 | -66.7 | 173.2 | 0 | 0 | 0 | 108.5 | R39 Q40 Y96 | R39-L94 CarbonylContact C-O 3.58Å; R39-L94 WeakPolarHBondContact CA-O 3.47Å; Q40-L94 PolarHBondContact N-O 3.39Å; Q40-L94 PolarHBondContact O-N 2.91Å; L94-Y96 HydrophobicContact CB-CE2 3.78Å; L94-Y96 WeakPolarHBondContact CB-OH 3.35Å; L94-Y96 VanDerWaalsContact CD1-OH 3.25Å; L94-Y96 WeakPolarHBondContact CD1-OH 3.42Å |
| 95 | Y | 94.5 | Very high | 92.3 | Very high | 35 Ų | 35 | 71.8 Ų | 71.8 | 14% | 0.137 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 138.6 | -179.7 | -74.1 | -100.9 | 0 | 0 | 0 | 109.1 | L20 F38 R39 L49 F69 L82 M84 D91 A93 | L20-Y95 HydrophobicContact CD1-CD1 3.5Å; L20-Y95 HydrophobicContact CD1-CD2 4.04Å; L20-Y95 HydrophobicContact CD1-CE1 4.22Å; L20-Y95 HydrophobicContact CD1-CG 3.4Å; L20-Y95 VanDerWaalsContact CD1-CG 3.4Å; F38-Y95 WeakPolarHBondContact O-CA 3.34Å; R39-Y95 HydrophobicContact CB-CD1 4.03Å; R39-Y95 HydrophobicContact CB-CE1 3.88Å; R39-Y95 HydrophobicContact CB-CG 4.44Å; L49-Y95 HydrophobicContact CD1-CD1 3.84Å; L49-Y95 HydrophobicContact CD1-CE1 3.43Å; L49-Y95 VanDerWaalsContact CD1-CE1 3.43Å; F69-Y95 HydrophobicContact CE2-CE1 4.4Å; L82-Y95 HydrophobicContact CD2-CD1 4.12Å; L82-Y95 HydrophobicContact CD2-CE1 4.2Å; M84-Y95 HydrophobicContact CE-CE1 3.59Å; M84-Y95 HydrophobicContact CE-CE2 4.04Å; M84-Y95 WeakPolarHBondContact CE-OH 3.49Å; M84-Y95 HydrophobicContact SD-CE1 4.19Å; D91-Y95 WeakPolarHBondContact O-CE2 3.09Å; D91-Y95 PolarHBondContact O-OH 3.42Å; A93-Y95 HydrophobicContact CB-CD2 4.48Å; A93-Y95 HydrophobicContact CB-CE2 3.95Å; A93-Y95 VanDerWaalsContact O-CD2 3.26Å; A93-Y95 WeakPolarHBondContact O-CD2 3.41Å; A93-Y95 WeakPolarHBondContact O-CE2 3.23Å |
| 96 | Y | 93.9 | Very high | 92.2 | Very high | 81 Ų | 81 | 73.4 Ų | 73.4 | 32% | 0.318 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 138.6 | -177.9 | -54.2 | -82.1 | 0 | 0 | 0 | 109.1 | E6 W37 F38 Q40 L46 L94 | E6-Y96 WeakPolarHBondContact OE1-CA 3.49Å; W37-Y96 CarbonylContact C-O 3.55Å; W37-Y96 WeakPolarHBondContact CA-O 3.39Å; F38-Y96 PolarHBondContact N-O 3.21Å; F38-Y96 PolarHBondContact O-N 3.48Å; Q40-Y96 HydrophobicContact CB-CE2 3.88Å; L46-Y96 HydrophobicContact CD1-CD2 3.88Å; L46-Y96 HydrophobicContact CD1-CE2 4.23Å; L94-Y96 HydrophobicContact CB-CE2 3.78Å; L94-Y96 WeakPolarHBondContact CB-OH 3.35Å; L94-Y96 VanDerWaalsContact CD1-OH 3.25Å; L94-Y96 WeakPolarHBondContact CD1-OH 3.42Å |
| 97 | C | 94.3 | Very high | 92.1 | Very high | 11 Ų | 11 | 73.7 Ų | 73.7 | 7% | 0.074 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 151 | 165.6 | 56.5 | 0 | 0 | 0 | 0 | 110.5 | L4 E6 C22 D36 W37 L80 | L4-C97 VanDerWaalsContact CB-SG 3.5Å; L4-C97 HydrophobicContact CD1-CB 4.29Å; L4-C97 WeakPolarHBondContact CD1-O 3.36Å; E6-C97 PolarHBondContact OE1-N 2.89Å; E6-C97 PolarHBondContact OE1-SG 3.1Å; C22-C97 HydrophobicContact CB-CB 3.46Å; C22-C97 VanDerWaalsContact CB-CB 3.46Å; C22-C97 WeakPolarHBondContact CB-SG 3.42Å; C22-C97 WeakPolarHBondContact SG-CB 3.07Å; C22-C97 CovalentContact SG-SG 2Å; C22-C97 PolarHBondContact SG-SG 3.49Å; D36-C97 CarbonylContact O-C 3.59Å; D36-C97 VanDerWaalsContact O-CA 3.26Å; D36-C97 WeakPolarHBondContact O-CA 3.35Å; W37-C97 HydrophobicContact CD2-CB 4.24Å; W37-C97 HydrophobicContact CE3-CB 4.14Å; W37-C97 HydrophobicContact CH2-CB 4.17Å; W37-C97 HydrophobicContact CZ2-CB 4.26Å; W37-C97 HydrophobicContact CZ3-CB 4.1Å; L80-C97 HydrophobicContact CD2-CB 4.01Å |
| 98 | A | 92.9 | Very high | 92 | Very high | 33 Ų | 33 | 78.5 Ų | 78.5 | 27% | 0.273 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 164.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | M35 D36 F38 | M35-A98 CarbonylContact C-O 3.4Å; M35-A98 WeakPolarHBondContact CA-O 3.46Å; M35-A98 WeakPolarHBondContact CE-O 3.21Å; D36-A98 PolarHBondContact N-O 3.39Å; D36-A98 PolarHBondContact O-N 2.87Å; F38-A98 HydrophobicContact CD2-CB 4.31Å; F38-A98 HydrophobicContact CE2-CB 3.9Å |
| 99 | R | 89 | Confident | 92.1 | Very high | 136 Ų | 136 | 73.5 Ų | 73.5 | 51% | 0.513 | 37% | 0.373 | S | S | . | . | trans | -107.7 | 0 | 168.3 | 69.9 | 176.6 | -177.8 | -168.5 | -1.8 | 110.6 | F28 H33 W34 M35 | F28-R99 HydrophobicContact CE2-CB 4.25Å; F28-R99 HydrophobicContact CZ-CB 4.31Å; H33-R99 HydrophobicContact CB-CB 4.22Å; W34-R99 WeakPolarHBondContact O-CA 3.25Å; M35-R99 HydrophobicContact CE-CB 4.27Å; M35-R99 HydrophobicContact SD-CB 3.87Å |
Retrieved 99 of 99 residues in 71.9 ms
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