| 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 | 38.4 | Very low | 41.7 | Very low | 232 Ų | 232 | 147 Ų | 147 | 100% | 1.143 | 83% | 0.828 | S | S | * | * | 0 | 109 | 0 | -78.9 | 166.6 | 157 | 0 | 0 | 108.2 | |||||
| 2 | L | 37.6 | Very low | 41.7 | Very low | 134 Ų | 134 | 144.8 Ų | 144.8 | 70% | 0.702 | 81% | 0.81 | S | S | * | * | trans | 55.5 | 83.5 | 156.2 | -67.6 | 140 | 0 | 0 | 0 | 119.2 | ||||
| 3 | F | 41.5 | Very low | 41.8 | Very low | 214 Ų | 214 | 145.5 Ų | 145.5 | 94% | 0.939 | 81% | 0.81 | S | S | * | * | trans | -146.2 | 34.3 | 145.4 | -86.6 | -72.2 | 0 | 0 | 0 | 111.6 | ||||
| 4 | I | 41.8 | Very low | 42 | Very low | 149 Ų | 149 | 147.1 Ų | 147.1 | 76% | 0.764 | 81% | 0.808 | S | S | * | * | trans | -93.7 | 80.9 | 163.3 | 41.8 | -100.2 | 0 | 0 | 0 | 107.9 | ||||
| 5 | L | 38.4 | Very low | 42.2 | Very low | 164 Ų | 164 | 140.3 Ų | 140.3 | 86% | 0.859 | 79% | 0.785 | S | S | * | * | trans | -174.1 | 58.5 | 173.2 | -102.1 | 164 | 0 | 0 | 0 | 112.7 | ||||
| 6 | S | 48.1 | Very low | 43.1 | Very low | 100 Ų | 100 | 136.4 Ų | 136.4 | 70% | 0.699 | 78% | 0.776 | S | S | * | * | trans | -152.4 | 27.3 | 167.4 | 76.5 | 0 | 0 | 0 | 0 | 116.1 | V8 | S6-V8 PolarHBondContact O-N 3.02Š| ||
| 7 | L | 48 | Very low | 44.5 | Very low | 185 Ų | 185 | 134.8 Ų | 134.8 | 97% | 0.969 | 76% | 0.763 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.9 | 6.3 | 168.4 | -80.7 | 166.5 | 0 | 0 | 0 | 113.2 | ||
| 8 | V | 42.3 | Very low | 46.8 | Very low | 143 Ų | 143 | 128.6 Ų | 128.6 | 87% | 0.867 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.8 | 5.1 | -176.2 | -172.1 | 0 | 0 | 0 | 0 | 112.3 | S6 | S6-V8 PolarHBondContact O-N 3.02Š|
| 9 | A | 38.6 | Very low | 49.1 | Very low | 70 Ų | 70 | 121.9 Ų | 121.9 | 58% | 0.579 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -131.2 | 41.4 | -165.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 10 | V | 45.7 | Very low | 51.1 | Low | 128 Ų | 128 | 120.8 Ų | 120.8 | 78% | 0.776 | 69% | 0.69 | S | S | * | * | trans | -152.4 | 53.4 | 148.6 | -160.3 | 0 | 0 | 0 | 0 | 110.1 | I12 | V10-I12 PolarHBondContact O-N 3.11Š| ||
| 11 | A | 37.9 | Very low | 53 | Low | 98 Ų | 98 | 119.5 Ų | 119.5 | 81% | 0.81 | 68% | 0.681 | S | S | * | * | trans | -86.9 | 24.8 | 153.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | L13 | A11-L13 PolarHBondContact O-N 3.43Š| ||
| 12 | I | 42.2 | Very low | 55.6 | Low | 121 Ų | 121 | 110.6 Ų | 110.6 | 62% | 0.621 | 64% | 0.636 | S | S | * | * | trans | -80.6 | 60.3 | 164.4 | -43 | 178.4 | 0 | 0 | 0 | 106.2 | V10 E14 | V10-I12 PolarHBondContact O-N 3.11Å; I12-E14 HydrophobicContact CG2-CG 3.93Å; I12-E14 PolarHBondContact O-N 3.1Å; I12-E14 VanDerWaalsContact O-N 3.1Å | ||
| 13 | L | 42.4 | Very low | 58.1 | Low | 154 Ų | 154 | 109.1 Ų | 109.1 | 81% | 0.806 | 64% | 0.637 | S | S | * | * | trans | -75.2 | 87.7 | 155 | -162.8 | 76.7 | 0 | 0 | 0 | 103.4 | A11 G15 | A11-L13 PolarHBondContact O-N 3.43Å; L13-G15 PolarHBondContact O-N 3.43Å | ||
| 14 | E | 45.6 | Very low | 60.4 | Low | 167 Ų | 167 | 102.6 Ų | 102.6 | 78% | 0.78 | 61% | 0.612 | S | S | * | * | trans | -51.3 | 91.7 | 168.6 | -85 | 165.9 | 170.5 | 0 | 0 | 108.5 | I12 A16 | I12-E14 HydrophobicContact CG2-CG 3.93Å; I12-E14 PolarHBondContact O-N 3.1Å; I12-E14 VanDerWaalsContact O-N 3.1Å; E14-A16 PolarHBondContact O-N 2.65Å | ||
| 15 | G | 44.7 | Very low | 62.8 | Low | 45 Ų | 45 | 96.2 Ų | 96.2 | 46% | 0.464 | 58% | 0.58 | S | S | . | * | S | Bend | 57.2 | 12.6 | 126.1 | 0 | 0 | 0 | 0 | 0 | 118.5 | L13 I17 | L13-G15 PolarHBondContact O-N 3.43Å; G15-I17 PolarHBondContact O-N 3.37Å | |
| 16 | A | 55.6 | Low | 65.2 | Low | 78 Ų | 78 | 92.7 Ų | 92.7 | 65% | 0.645 | 57% | 0.57 | S | S | * | * | trans | -88.5 | 37.6 | 161.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | E14 A18 | E14-A16 PolarHBondContact O-N 2.65Å; A16-A18 PolarHBondContact O-N 3.09Å | ||
| 17 | I | 67.9 | Low | 67.1 | Low | 109 Ų | 109 | 91.5 Ų | 91.5 | 56% | 0.559 | 57% | 0.573 | S | S | * | * | trans | -69.6 | 105.6 | 165.6 | -59.4 | 172 | 0 | 0 | 0 | 103.9 | G15 C19 | G15-I17 PolarHBondContact O-N 3.37Å; I17-C19 PolarHBondContact O-N 3.35Å | ||
| 18 | A | 85.2 | Confident | 69 | Low | 24 Ų | 24 | 89 Ų | 89 | 20% | 0.198 | 56% | 0.556 | C | S | . | * | B | Isolated β-bridge | trans | -52.7 | 134.2 | 170.8 | 0 | 0 | 0 | 0 | 0 | 108.3 | A16 R34 I77 L80 | A16-A18 PolarHBondContact O-N 3.09Å; A18-R34 CarbonylContact C-O 3.55Å; A18-R34 WeakPolarHBondContact CA-O 3.38Å; A18-I77 HydrophobicContact CB-CD1 3.92Å; A18-L80 HydrophobicContact CB-CD1 3.62Å; A18-L80 HydrophobicContact CB-CD2 3.47Å; A18-L80 VanDerWaalsContact CB-CD2 3.47Å; A18-L80 HydrophobicContact CB-CG 4.09Å |
| 19 | C | 91.2 | Very high | 71.4 | Confident | 1 Ų | 1 | 84.7 Ų | 84.7 | 1% | 0.007 | 53% | 0.527 | C | S | . | . | trans | -113.9 | 153.2 | -177 | 56.4 | 0 | 0 | 0 | 0 | 109.3 | I17 D24 C31 R34 R35 | I17-C19 PolarHBondContact O-N 3.35Å; C19-D24 HydrophobicContact CB-CB 3.69Å; C19-C31 HydrophobicContact CB-CB 3.73Å; C19-C31 WeakPolarHBondContact CB-SG 3.42Å; C19-C31 PolarHBondContact O-SG 3.49Å; C19-C31 WeakPolarHBondContact SG-CA 2.94Å; C19-C31 WeakPolarHBondContact SG-CB 3.29Å; C19-C31 CovalentContact SG-SG 2.02Å; C19-C31 PolarHBondContact SG-SG 3.1Å; C19-R34 PolarHBondContact N-O 3.5Å; C19-R34 WeakPolarHBondContact O-CA 3.37Å; C19-R34 VanDerWaalsContact O-CB 3.29Å; C19-R34 WeakPolarHBondContact O-CB 3Å; C19-R34 VanDerWaalsContact O-CG 3.31Å; C19-R34 WeakPolarHBondContact O-CG 3.38Å; C19-R35 VanDerWaalsContact SG-CA 3.59Å; C19-R35 PolarHBondContact SG-N 3.15Å | ||
| 20 | T | 89.4 | Confident | 73.9 | Confident | 99 Ų | 99 | 81.6 Ų | 81.6 | 61% | 0.607 | 50% | 0.501 | S | S | * | . | S | Bend | trans | -106.7 | -40.3 | 167.9 | -52.9 | 0 | 0 | 0 | 0 | 109.6 | D24 | T20-D24 PolarHBondContact N-OD2 2.04Š|
| 21 | D | 91.3 | Very high | 76.2 | Confident | 94 Ų | 94 | 76.2 Ų | 76.2 | 50% | 0.503 | 47% | 0.469 | S | S | . | . | S | Bend | trans | -121.4 | 157.5 | -175 | -65.8 | -73.3 | 0 | 0 | 0 | 111.5 | S23 D24 C31 | D21-S23 PolarHBondContact O-N 3.03Å; D21-D24 PolarHBondContact N-OD2 2.95Å; D21-D24 WeakPolarHBondContact O-CB 3.01Å; D21-D24 PolarHBondContact O-N 3.11Å; D21-C31 WeakPolarHBondContact O-CB 3.35Å |
| 22 | H | 91.6 | Very high | 78.7 | Confident | 45 Ų | 45 | 73.7 Ų | 73.7 | 21% | 0.208 | 44% | 0.438 | C | S | . | . | G | 310 helix | trans | -62.2 | -25.5 | 177.7 | -62.1 | -22.7 | 0 | 0 | 0 | 113.1 | D24 C25 C31 D49 A59 I61 | H22-D24 PolarHBondContact O-N 3.06Å; H22-C25 PolarHBondContact O-N 2.93Å; H22-C31 PolarHBondContact CE1-O 3.06Å; H22-C31 WeakPolarHBondContact ND1-CB 3.37Å; H22-C31 PolarHBondContact ND1-N 2.99Å; H22-C31 VanDerWaalsContact ND1-N 3.13Å; H22-C31 PolarHBondContact ND1-O 3.11Å; H22-D49 IonicContact NE2-OD2 3.35Å; H22-A59 WeakPolarHBondContact NE2-CB 3.04Å; H22-I61 HydrophobicContact CB-CD1 4.24Å; H22-I61 HydrophobicContact CB-CG1 4.18Å |
| 23 | S | 89.8 | Confident | 80.9 | Confident | 104 Ų | 104 | 73.3 Ų | 73.3 | 73% | 0.727 | 43% | 0.429 | S | S | * | . | G | 310 helix | trans | -68.7 | -17.7 | 175.2 | 50.9 | 0 | 0 | 0 | 0 | 114.3 | D21 C25 | D21-S23 PolarHBondContact O-N 3.03Å; S23-C25 PolarHBondContact O-N 3.25Å |
| 24 | D | 90.7 | Very high | 83.2 | Confident | 77 Ų | 77 | 69.5 Ų | 69.5 | 41% | 0.412 | 40% | 0.404 | S | S | . | . | G | 310 helix | trans | -72.3 | -18.3 | 176.3 | -60.1 | -28.1 | 0 | 0 | 0 | 111.7 | C19 T20 D21 H22 | C19-D24 HydrophobicContact CB-CB 3.69Å; T20-D24 PolarHBondContact N-OD2 2.04Å; D21-D24 PolarHBondContact N-OD2 2.95Å; D21-D24 WeakPolarHBondContact O-CB 3.01Å; D21-D24 PolarHBondContact O-N 3.11Å; H22-D24 PolarHBondContact O-N 3.06Å |
| 25 | C | 91.4 | Very high | 85.3 | Confident | 14 Ų | 14 | 64 Ų | 64 | 10% | 0.095 | 38% | 0.376 | C | S | . | . | S | Bend | trans | -96.6 | 136.1 | -177.1 | -56.8 | 0 | 0 | 0 | 0 | 111.1 | H22 S23 Q29 C36 | H22-C25 PolarHBondContact O-N 2.93Å; S23-C25 PolarHBondContact O-N 3.25Å; C25-Q29 HydrophobicContact CB-CB 3.75Å; C25-C36 WeakPolarHBondContact CA-SG 3.29Å; C25-C36 HydrophobicContact CB-CB 3.74Å; C25-C36 WeakPolarHBondContact CB-SG 3.31Å; C25-C36 WeakPolarHBondContact SG-CA 3.29Å; C25-C36 WeakPolarHBondContact SG-CB 3.47Å; C25-C36 CovalentContact SG-SG 2.04Å; C25-C36 PolarHBondContact SG-SG 2.86Å |
| 26 | S | 89.5 | Confident | 87.5 | Confident | 90 Ų | 90 | 62.8 Ų | 62.8 | 63% | 0.629 | 36% | 0.361 | S | S | * | . | trans | -91.8 | 148.9 | -179.9 | 56.9 | 0 | 0 | 0 | 0 | 112.2 | Q29 | S26-Q29 WeakPolarHBondContact O-CG 3.44Å; S26-Q29 PolarHBondContact O-NE2 3.43Å | ||
| 27 | G | 87.4 | Confident | 89.2 | Confident | 75 Ų | 75 | 59.6 Ų | 59.6 | 77% | 0.773 | 33% | 0.333 | S | S | * | . | S | Bend | trans | 67.5 | -144.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113 | Q29 | G27-Q29 PolarHBondContact O-N 2.77Å; G27-Q29 VanDerWaalsContact O-N 3.1Å |
| 28 | Q | 88.4 | Confident | 90.4 | Very high | 132 Ų | 132 | 57.6 Ų | 57.6 | 62% | 0.617 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -88.3 | 61.9 | -179.7 | -168.1 | 173.4 | 65.7 | 0 | 0 | 111.1 | A39 | Q28-A39 PolarHBondContact O-N 3Š|
| 29 | Q | 92.1 | Very high | 90.8 | Very high | 54 Ų | 54 | 56.7 Ų | 56.7 | 25% | 0.252 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 157 | -179.7 | -66.6 | -174.8 | 87.3 | 0 | 0 | 110.3 | C25 S26 G27 V37 | C25-Q29 HydrophobicContact CB-CB 3.75Å; S26-Q29 WeakPolarHBondContact O-CG 3.44Å; S26-Q29 PolarHBondContact O-NE2 3.43Å; G27-Q29 PolarHBondContact O-N 2.77Å; G27-Q29 VanDerWaalsContact O-N 3.1Å; Q29-V37 CarbonylContact C-O 3.5Å; Q29-V37 WeakPolarHBondContact CA-O 3.43Å; Q29-V37 WeakPolarHBondContact CB-O 3.24Å |
| 30 | M | 92.7 | Very high | 91 | Very high | 5 Ų | 5 | 62 Ų | 62 | 3% | 0.025 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 152.3 | 172.8 | 72 | -178.1 | -65.4 | 0 | 0 | 110.9 | Y32 C36 V37 A39 A59 I61 P68 | M30-Y32 PolarHBondContact O-N 2.97Å; M30-C36 WeakPolarHBondContact O-CA 3.19Å; M30-V37 HydrophobicContact CG-CG2 3.86Å; M30-V37 PolarHBondContact N-O 3.16Å; M30-V37 PolarHBondContact O-N 2.02Å; M30-A39 HydrophobicContact CB-CB 3.95Å; M30-A39 HydrophobicContact CG-CB 3.96Å; M30-A39 HydrophobicContact SD-CB 4.16Å; M30-A59 HydrophobicContact CE-CB 3.95Å; M30-I61 HydrophobicContact CB-CD1 3.13Å; M30-I61 HydrophobicContact CE-CD1 4.44Å; M30-I61 HydrophobicContact CG-CD1 4.38Å; M30-P68 HydrophobicContact SD-CB 4.44Å; M30-P68 WeakPolarHBondContact SD-CD 2.91Å; M30-P68 HydrophobicContact SD-CG 3.71Å |
| 31 | C | 92.5 | Very high | 91.3 | Very high | 15 Ų | 15 | 61 Ų | 61 | 10% | 0.101 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 104.1 | 167.7 | -168.2 | 0 | 0 | 0 | 0 | 109.8 | C19 D21 H22 | C19-C31 HydrophobicContact CB-CB 3.73Å; C19-C31 WeakPolarHBondContact CB-SG 3.42Å; C19-C31 PolarHBondContact O-SG 3.49Å; C19-C31 WeakPolarHBondContact SG-CA 2.94Å; C19-C31 WeakPolarHBondContact SG-CB 3.29Å; C19-C31 CovalentContact SG-SG 2.02Å; C19-C31 PolarHBondContact SG-SG 3.1Å; D21-C31 WeakPolarHBondContact O-CB 3.35Å; H22-C31 PolarHBondContact CE1-O 3.06Å; H22-C31 WeakPolarHBondContact ND1-CB 3.37Å; H22-C31 PolarHBondContact ND1-N 2.99Å; H22-C31 VanDerWaalsContact ND1-N 3.13Å; H22-C31 PolarHBondContact ND1-O 3.11Å |
| 32 | Y | 91.2 | Very high | 91.5 | Very high | 45 Ų | 45 | 58.7 Ų | 58.7 | 18% | 0.176 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 121.7 | 176.6 | -174.9 | -105 | 0 | 0 | 0 | 109.3 | M30 R34 R35 V37 P68 P72 | M30-Y32 PolarHBondContact O-N 2.97Å; Y32-R34 PolarHBondContact O-N 3.29Å; Y32-R35 PolarHBondContact N-O 2.95Å; Y32-R35 PolarHBondContact O-N 2.73Å; Y32-R35 VanDerWaalsContact O-O 3.08Å; Y32-V37 HydrophobicContact CG-CG2 4.41Å; Y32-P68 HydrophobicContact CD1-CG 3.97Å; Y32-P68 HydrophobicContact CD2-CG 3.46Å; Y32-P68 VanDerWaalsContact CD2-CG 3.46Å; Y32-P68 HydrophobicContact CE1-CG 4.27Å; Y32-P68 HydrophobicContact CE2-CG 3.81Å; Y32-P68 HydrophobicContact CG-CB 4.47Å; Y32-P68 HydrophobicContact CG-CG 3.54Å; Y32-P72 HydrophobicContact CD1-CG 3.95Å; Y32-P72 HydrophobicContact CE1-CG 4.26Å |
| 33 | R | 88.8 | Confident | 91.5 | Very high | 113 Ų | 113 | 58.6 Ų | 58.6 | 43% | 0.426 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.3 | 43 | -178 | -66 | -178.2 | 172.1 | -176.7 | -4.2 | 112.4 | R35 T76 | R33-R35 PolarHBondContact O-N 3.05Å; R33-T76 HydrophobicContact CB-CG2 3.95Å; R33-T76 VanDerWaalsContact CD-OG1 3.28Å; R33-T76 WeakPolarHBondContact CD-OG1 3.41Å; R33-T76 HydrophobicContact CG-CG2 4.32Å; R33-T76 WeakPolarHBondContact CG-OG1 3.27Å |
| 34 | R | 89.7 | Confident | 91.7 | Very high | 73 Ų | 73 | 56.1 Ų | 56.1 | 28% | 0.275 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.9 | 26.3 | -176.4 | -66.7 | -164.4 | 172.9 | 176.2 | -18.1 | 115.3 | A18 C19 Y32 I77 E78 E84 | A18-R34 CarbonylContact C-O 3.55Å; A18-R34 WeakPolarHBondContact CA-O 3.38Å; C19-R34 PolarHBondContact N-O 3.5Å; C19-R34 WeakPolarHBondContact O-CA 3.37Å; C19-R34 VanDerWaalsContact O-CB 3.29Å; C19-R34 WeakPolarHBondContact O-CB 3Å; C19-R34 VanDerWaalsContact O-CG 3.31Å; C19-R34 WeakPolarHBondContact O-CG 3.38Å; Y32-R34 PolarHBondContact O-N 3.29Å; R34-I77 HydrophobicContact CB-CB 3.96Å; R34-I77 HydrophobicContact CB-CG2 4.49Å; R34-I77 WeakPolarHBondContact CD-O 3Å; R34-E78 PolarHBondContact NH1-O 3.4Å; R34-E84 IonicContact CZ-OE2 2.87Å; R34-E84 IonicContact NH1-OE2 3.83Å; R34-E84 PolarHBondContact NH1-OE2 3.39Å; R34-E84 IonicContact NH2-OE2 2.64Å; R34-E84 PolarHBondContact NH2-OE2 2.95Å |
| 35 | R | 89.6 | Confident | 92.1 | Very high | 51 Ų | 51 | 59.5 Ų | 59.5 | 19% | 0.192 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 143.3 | 168.1 | -67.2 | -167.9 | 177.8 | 86.6 | -0.7 | 110.3 | C19 Y32 R33 V37 P75 I77 | C19-R35 VanDerWaalsContact SG-CA 3.59Å; C19-R35 PolarHBondContact SG-N 3.15Å; Y32-R35 PolarHBondContact N-O 2.95Å; Y32-R35 PolarHBondContact O-N 2.73Å; Y32-R35 VanDerWaalsContact O-O 3.08Å; R33-R35 PolarHBondContact O-N 3.05Å; R35-V37 HydrophobicContact CB-CG1 4.48Å; R35-V37 PolarHBondContact O-N 3.37Å; R35-P75 PolarHBondContact NH1-O 2.95Å; R35-I77 HydrophobicContact CG-CD1 3.81Å; R35-I77 HydrophobicContact CG-CG1 4.38Å; R35-I77 VanDerWaalsContact CZ-CG1 3.42Å |
| 36 | C | 91.7 | Very high | 92.4 | Very high | 21 Ų | 21 | 59 Ų | 59 | 14% | 0.142 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 119.5 | 167.6 | -64.3 | 0 | 0 | 0 | 0 | 109.1 | C25 M30 | C25-C36 WeakPolarHBondContact CA-SG 3.29Å; C25-C36 HydrophobicContact CB-CB 3.74Å; C25-C36 WeakPolarHBondContact CB-SG 3.31Å; C25-C36 WeakPolarHBondContact SG-CA 3.29Å; C25-C36 WeakPolarHBondContact SG-CB 3.47Å; C25-C36 CovalentContact SG-SG 2.04Å; C25-C36 PolarHBondContact SG-SG 2.86Å; M30-C36 WeakPolarHBondContact O-CA 3.19Å |
| 37 | V | 91.5 | Very high | 92.7 | Very high | 11 Ų | 11 | 64.5 Ų | 64.5 | 7% | 0.067 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 148.9 | 175.3 | -58.7 | 0 | 0 | 0 | 0 | 109.8 | Q29 M30 Y32 R35 A39 P68 P72 | Q29-V37 CarbonylContact C-O 3.5Å; Q29-V37 WeakPolarHBondContact CA-O 3.43Å; Q29-V37 WeakPolarHBondContact CB-O 3.24Å; M30-V37 HydrophobicContact CG-CG2 3.86Å; M30-V37 PolarHBondContact N-O 3.16Å; M30-V37 PolarHBondContact O-N 2.02Å; Y32-V37 HydrophobicContact CG-CG2 4.41Å; R35-V37 HydrophobicContact CB-CG1 4.48Å; R35-V37 PolarHBondContact O-N 3.37Å; V37-A39 PolarHBondContact O-N 3.38Å; V37-P68 HydrophobicContact CG2-CB 3.99Å; V37-P68 HydrophobicContact CG2-CG 4.39Å; V37-P72 HydrophobicContact CG1-CB 4.44Å; V37-P72 HydrophobicContact CG1-CG 4.03Å |
| 38 | P | 92.5 | Very high | 93.1 | Very high | 67 Ų | 67 | 65.3 Ų | 65.3 | 44% | 0.435 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -53.5 | 134.4 | 171.7 | -24.9 | 34.5 | 0 | 0 | 0 | 110.7 | A69 V70 | P38-A69 HydrophobicContact CB-CB 4.18Å; P38-A69 WeakPolarHBondContact O-CB 3.36Å; P38-A69 PolarHBondContact O-N 3.12Å; P38-V70 HydrophobicContact CG-CG2 4.47Å |
| 39 | A | 94.5 | Very high | 93.4 | Very high | 5 Ų | 5 | 61.9 Ų | 61.9 | 4% | 0.041 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 152.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | Q28 M30 V37 M66 V67 | Q28-A39 PolarHBondContact O-N 3Å; M30-A39 HydrophobicContact CB-CB 3.95Å; M30-A39 HydrophobicContact CG-CB 3.96Å; M30-A39 HydrophobicContact SD-CB 4.16Å; V37-A39 PolarHBondContact O-N 3.38Å; A39-M66 HydrophobicContact CB-CB 4.25Å; A39-V67 CarbonylContact C-O 3.49Å; A39-V67 VanDerWaalsContact CA-O 3.27Å; A39-V67 WeakPolarHBondContact CA-O 3.34Å |
| 40 | K | 95.4 | Very high | 93.6 | Very high | 111 Ų | 111 | 66.1 Ų | 66.1 | 48% | 0.483 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 152.7 | 173.8 | 68.2 | 177.6 | -178 | 179.2 | 0 | 110.9 | A42 M66 V67 A69 | K40-A42 PolarHBondContact O-N 2.84Å; K40-M66 WeakPolarHBondContact O-CA 3.44Å; K40-V67 HydrophobicContact CG-CG2 3.76Å; K40-V67 PolarHBondContact N-O 2.86Å; K40-V67 PolarHBondContact O-N 2.93Å; K40-A69 HydrophobicContact CB-CB 4.1Å; K40-A69 HydrophobicContact CD-CB 4.39Å; K40-A69 HydrophobicContact CG-CB 4.21Å |
| 41 | P | 95.6 | Very high | 93.8 | Very high | 78 Ų | 78 | 70.9 Ų | 70.9 | 51% | 0.506 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.7 | 129.9 | 176.3 | -22.9 | 33.4 | 0 | 0 | 0 | 111.6 | I64 M66 | P41-I64 HydrophobicContact CB-CG2 4.34Å; P41-M66 VanDerWaalsContact CA-SD 3.53Å; P41-M66 HydrophobicContact CB-SD 4.19Å; P41-M66 HydrophobicContact CG-CE 4.3Å; P41-M66 HydrophobicContact CG-SD 3.94Å; P41-M66 VanDerWaalsContact N-SD 3.37Å |
| 42 | A | 95.1 | Very high | 94 | Very high | 47 Ų | 47 | 70.7 Ų | 70.7 | 39% | 0.388 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | -18.6 | 163.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | K40 Q58 C65 V67 | K40-A42 PolarHBondContact O-N 2.84Å; A42-Q58 HydrophobicContact CB-CG 4.19Å; A42-C65 PolarHBondContact N-O 2.8Å; A42-V67 HydrophobicContact CB-CG1 3.93Å; A42-V67 HydrophobicContact CB-CG2 4.31Å |
| 43 | G | 90.9 | Very high | 94.2 | Very high | 42 Ų | 42 | 74.1 Ų | 74.1 | 43% | 0.433 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 99.8 | 156 | -176.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | C65 | G43-C65 WeakPolarHBondContact O-CB 3.09Å |
| 44 | G | 95.4 | Very high | 94.4 | Very high | 52 Ų | 52 | 72 Ų | 72 | 54% | 0.536 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 93.7 | 146.3 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | I64 C65 | G44-I64 WeakPolarHBondContact O-CA 3.02Å; G44-C65 PolarHBondContact O-N 3.44Å; G44-C65 VanDerWaalsContact O-N 3.1Å |
| 45 | L | 97.4 | Very high | 94.4 | Very high | 149 Ų | 149 | 76 Ų | 76 | 78% | 0.78 | 41% | 0.413 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 146.7 | 173.3 | -63.1 | 175.6 | 0 | 0 | 0 | 109.2 | G63 I64 | L45-G63 WeakPolarHBondContact CA-O 3.04Å; L45-G63 WeakPolarHBondContact CD2-O 3.42Å; L45-I64 HydrophobicContact CD2-CG1 4.16Å |
| 46 | C | 97.4 | Very high | 94.4 | Very high | 2 Ų | 2 | 79.7 Ų | 79.7 | 1% | 0.014 | 44% | 0.435 | C | S | . | . | trans | -150.6 | 165.3 | -176.9 | 60.7 | 0 | 0 | 0 | 0 | 111.2 | Q51 C60 G63 | C46-Q51 VanDerWaalsContact CA-OE1 3.29Å; C46-Q51 HydrophobicContact CB-CB 3.99Å; C46-C60 HydrophobicContact CB-CB 3.77Å; C46-C60 WeakPolarHBondContact CB-SG 3.15Å; C46-C60 PolarHBondContact O-SG 3.47Å; C46-C60 VanDerWaalsContact O-SG 3.35Å; C46-C60 WeakPolarHBondContact SG-CA 3.36Å; C46-C60 WeakPolarHBondContact SG-CB 3.02Å; C46-C60 CovalentContact SG-SG 2.03Å; C46-C60 PolarHBondContact SG-SG 2.7Å; C46-G63 PolarHBondContact N-O 3.36Å; C46-G63 CarbonylContact O-C 3.53Å; C46-G63 VanDerWaalsContact O-CA 3.25Å; C46-G63 WeakPolarHBondContact O-CA 3.37Å | ||
| 47 | Y | 96.4 | Very high | 94.3 | Very high | 207 Ų | 207 | 79.9 Ų | 79.9 | 81% | 0.812 | 44% | 0.441 | S | S | * | . | S | Bend | trans | -122.4 | -24.3 | 171.3 | -61.4 | -80.9 | 0 | 0 | 0 | 112.5 | C60 | Y47-C60 PolarHBondContact N-SG 3.34Š|
| 48 | I | 95.5 | Very high | 94.4 | Very high | 91 Ų | 91 | 81 Ų | 81 | 47% | 0.467 | 45% | 0.445 | S | S | . | . | S | Bend | trans | -141.4 | 157.1 | 179.8 | 61.8 | 178.8 | 0 | 0 | 0 | 108.8 | E50 Q51 C60 | I48-E50 WeakPolarHBondContact CB-OE2 3.43Å; I48-E50 HydrophobicContact CD1-CB 4.34Å; I48-E50 WeakPolarHBondContact CD1-OE2 3.33Å; I48-E50 HydrophobicContact CG1-CB 4.45Å; I48-E50 WeakPolarHBondContact CG1-OE2 2.95Å; I48-E50 PolarHBondContact O-N 2.8Å; I48-Q51 HydrophobicContact CG1-CG 3.86Å; I48-Q51 WeakPolarHBondContact O-CB 3.02Å; I48-Q51 PolarHBondContact O-N 3.43Å; I48-Q51 VanDerWaalsContact O-N 3.17Å; I48-C60 VanDerWaalsContact C-CB 3.45Å; I48-C60 WeakPolarHBondContact O-CB 3.35Å |
| 49 | D | 95.2 | Very high | 94.6 | Very high | 60 Ų | 60 | 78 Ų | 78 | 32% | 0.321 | 43% | 0.427 | S | S | . | . | G | 310 helix | trans | -60.6 | -33.6 | -174.8 | -69.6 | -11.1 | 0 | 0 | 0 | 112.5 | H22 Q51 C52 T54 C60 | H22-D49 IonicContact NE2-OD2 3.35Å; D49-Q51 PolarHBondContact O-N 2.83Å; D49-Q51 VanDerWaalsContact O-N 3.08Å; D49-C52 WeakPolarHBondContact O-CB 3.38Å; D49-C52 PolarHBondContact O-N 3.36Å; D49-T54 HydrophobicContact CB-CG2 4.28Å; D49-T54 WeakPolarHBondContact O-CG2 3.42Å; D49-C60 WeakPolarHBondContact OD1-CA 3.03Å; D49-C60 WeakPolarHBondContact OD1-CB 3.42Å; D49-C60 PolarHBondContact OD1-N 2.73Å |
| 50 | E | 95.8 | Very high | 94.6 | Very high | 144 Ų | 144 | 78.7 Ų | 78.7 | 67% | 0.673 | 43% | 0.431 | S | S | * | . | G | 310 helix | trans | -66.1 | -10.9 | -178.9 | -59.9 | 78.8 | -172.7 | 0 | 0 | 113.8 | I48 C52 | I48-E50 WeakPolarHBondContact CB-OE2 3.43Å; I48-E50 HydrophobicContact CD1-CB 4.34Å; I48-E50 WeakPolarHBondContact CD1-OE2 3.33Å; I48-E50 HydrophobicContact CG1-CB 4.45Å; I48-E50 WeakPolarHBondContact CG1-OE2 2.95Å; I48-E50 PolarHBondContact O-N 2.8Å; E50-C52 VanDerWaalsContact C-N 3.3Å |
| 51 | Q | 96.9 | Very high | 94.6 | Very high | 104 Ų | 104 | 74.3 Ų | 74.3 | 49% | 0.486 | 41% | 0.412 | S | S | . | . | G | 310 helix | trans | -85 | -7.1 | 171.8 | -67.4 | 178.5 | -18.9 | 0 | 0 | 112.9 | C46 I48 D49 | C46-Q51 VanDerWaalsContact CA-OE1 3.29Å; C46-Q51 HydrophobicContact CB-CB 3.99Å; I48-Q51 HydrophobicContact CG1-CG 3.86Å; I48-Q51 WeakPolarHBondContact O-CB 3.02Å; I48-Q51 PolarHBondContact O-N 3.43Å; I48-Q51 VanDerWaalsContact O-N 3.17Å; D49-Q51 PolarHBondContact O-N 2.83Å; D49-Q51 VanDerWaalsContact O-N 3.08Å |
| 52 | C | 97.1 | Very high | 94.4 | Very high | 11 Ų | 11 | 76.4 Ų | 76.4 | 7% | 0.074 | 43% | 0.429 | C | S | . | . | S | Bend | trans | -105.4 | 167 | 175.4 | -54.5 | 0 | 0 | 0 | 0 | 110.5 | D49 E50 T54 Q58 C65 | D49-C52 WeakPolarHBondContact O-CB 3.38Å; D49-C52 PolarHBondContact O-N 3.36Å; E50-C52 VanDerWaalsContact C-N 3.3Å; C52-T54 VanDerWaalsContact C-N 3.26Å; C52-T54 PolarHBondContact O-N 3.01Å; C52-Q58 HydrophobicContact CB-CB 3.72Å; C52-C65 VanDerWaalsContact CA-SG 3.51Å; C52-C65 HydrophobicContact CB-CB 3.76Å; C52-C65 WeakPolarHBondContact CB-SG 3.45Å; C52-C65 WeakPolarHBondContact SG-CA 3.39Å; C52-C65 WeakPolarHBondContact SG-CB 3.32Å; C52-C65 CovalentContact SG-SG 2.04Å; C52-C65 PolarHBondContact SG-SG 2.71Å |
| 53 | E | 95.7 | Very high | 94.3 | Very high | 117 Ų | 117 | 75.6 Ų | 75.6 | 55% | 0.547 | 43% | 0.425 | S | S | . | . | trans | -76.2 | 75.8 | 175.5 | -58.5 | -71 | 161.9 | 0 | 0 | 110.5 | D55 L56 Q58 | E53-D55 PolarHBondContact O-N 3.38Å; E53-L56 HydrophobicContact CB-CB 4.13Å; E53-L56 HydrophobicContact CB-CD1 3.89Å; E53-L56 HydrophobicContact CB-CG 4.06Å; E53-L56 HydrophobicContact CG-CD1 4.31Å; E53-L56 WeakPolarHBondContact O-CA 3.33Å; E53-L56 WeakPolarHBondContact O-CB 3.47Å; E53-L56 PolarHBondContact O-N 2.93Å; E53-Q58 HydrophobicContact CB-CG 4.01Å; E53-Q58 WeakPolarHBondContact O-CB 3.09Å; E53-Q58 WeakPolarHBondContact O-CG 3.18Å; E53-Q58 PolarHBondContact O-N 2.81Å | ||
| 54 | T | 92.3 | Very high | 94.5 | Very high | 69 Ų | 69 | 76.4 Ų | 76.4 | 42% | 0.423 | 42% | 0.419 | S | S | . | . | G | 310 helix | trans | -60.1 | -32.9 | -175.4 | 54.1 | 0 | 0 | 0 | 0 | 112.9 | D49 C52 L56 G57 | D49-T54 HydrophobicContact CB-CG2 4.28Å; D49-T54 WeakPolarHBondContact O-CG2 3.42Å; C52-T54 VanDerWaalsContact C-N 3.26Å; C52-T54 PolarHBondContact O-N 3.01Å; T54-L56 PolarHBondContact O-N 3.03Å; T54-G57 WeakPolarHBondContact O-CA 3.49Å; T54-G57 PolarHBondContact O-N 3.27Å |
| 55 | D | 90.6 | Very high | 94.6 | Very high | 158 Ų | 158 | 74.1 Ų | 74.1 | 85% | 0.845 | 39% | 0.394 | S | S | * | . | G | 310 helix | trans | -61.8 | -25 | 173.6 | -68.3 | -39.1 | 0 | 0 | 0 | 112.9 | E53 G57 | E53-D55 PolarHBondContact O-N 3.38Å; D55-G57 VanDerWaalsContact C-N 3.32Å |
| 56 | L | 89.1 | Confident | 94.6 | Very high | 128 Ų | 128 | 67.6 Ų | 67.6 | 67% | 0.67 | 36% | 0.36 | S | S | * | . | G | 310 helix | trans | -91.7 | 6.2 | 174.1 | -57.7 | -178 | 0 | 0 | 0 | 112.7 | E53 T54 Q58 | E53-L56 HydrophobicContact CB-CB 4.13Å; E53-L56 HydrophobicContact CB-CD1 3.89Å; E53-L56 HydrophobicContact CB-CG 4.06Å; E53-L56 HydrophobicContact CG-CD1 4.31Å; E53-L56 WeakPolarHBondContact O-CA 3.33Å; E53-L56 WeakPolarHBondContact O-CB 3.47Å; E53-L56 PolarHBondContact O-N 2.93Å; T54-L56 PolarHBondContact O-N 3.03Å; L56-Q58 VanDerWaalsContact C-N 3.35Å; L56-Q58 HydrophobicContact CB-CG 4.43Å |
| 57 | G | 89.4 | Confident | 94.5 | Very high | 25 Ų | 25 | 68.7 Ų | 68.7 | 26% | 0.258 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.1 | 24 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | T54 D55 | T54-G57 WeakPolarHBondContact O-CA 3.49Å; T54-G57 PolarHBondContact O-N 3.27Å; D55-G57 VanDerWaalsContact C-N 3.32Å |
| 58 | Q | 95 | Very high | 94.3 | Very high | 33 Ų | 33 | 59.7 Ų | 59.7 | 15% | 0.154 | 33% | 0.333 | C | S | . | . | trans | -79.3 | 150.5 | 169.2 | -51.7 | -167.8 | 8.1 | 0 | 0 | 110.7 | A42 C52 E53 L56 M66 V67 | A42-Q58 HydrophobicContact CB-CG 4.19Å; C52-Q58 HydrophobicContact CB-CB 3.72Å; E53-Q58 HydrophobicContact CB-CG 4.01Å; E53-Q58 WeakPolarHBondContact O-CB 3.09Å; E53-Q58 WeakPolarHBondContact O-CG 3.18Å; E53-Q58 PolarHBondContact O-N 2.81Å; L56-Q58 VanDerWaalsContact C-N 3.35Å; L56-Q58 HydrophobicContact CB-CG 4.43Å; Q58-M66 CarbonylContact C-O 3.58Å; Q58-M66 VanDerWaalsContact CA-O 3.23Å; Q58-M66 WeakPolarHBondContact CA-O 3.39Å; Q58-V67 HydrophobicContact CB-CG1 4.17Å; Q58-V67 HydrophobicContact CG-CG1 3.56Å | ||
| 59 | A | 95.6 | Very high | 94.2 | Very high | 6 Ų | 6 | 57.4 Ų | 57.4 | 5% | 0.05 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 159.6 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | H22 M30 I61 C65 M66 | H22-A59 WeakPolarHBondContact NE2-CB 3.04Å; M30-A59 HydrophobicContact CE-CB 3.95Å; A59-I61 PolarHBondContact O-N 3.04Å; A59-C65 WeakPolarHBondContact O-CA 3.38Å; A59-M66 PolarHBondContact N-O 3.26Å; A59-M66 PolarHBondContact O-N 2.59Å |
| 60 | C | 95.7 | Very high | 93.8 | Very high | 18 Ų | 18 | 59 Ų | 59 | 12% | 0.122 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 112.1 | -175.6 | -168.5 | 0 | 0 | 0 | 0 | 111.7 | C46 Y47 I48 D49 | C46-C60 HydrophobicContact CB-CB 3.77Å; C46-C60 WeakPolarHBondContact CB-SG 3.15Å; C46-C60 PolarHBondContact O-SG 3.47Å; C46-C60 VanDerWaalsContact O-SG 3.35Å; C46-C60 WeakPolarHBondContact SG-CA 3.36Å; C46-C60 WeakPolarHBondContact SG-CB 3.02Å; C46-C60 CovalentContact SG-SG 2.03Å; C46-C60 PolarHBondContact SG-SG 2.7Å; Y47-C60 PolarHBondContact N-SG 3.34Å; I48-C60 VanDerWaalsContact C-CB 3.45Å; I48-C60 WeakPolarHBondContact O-CB 3.35Å; D49-C60 WeakPolarHBondContact OD1-CA 3.03Å; D49-C60 WeakPolarHBondContact OD1-CB 3.42Å; D49-C60 PolarHBondContact OD1-N 2.73Å |
| 61 | I | 94.4 | Very high | 93.2 | Very high | 20 Ų | 20 | 60.5 Ų | 60.5 | 10% | 0.103 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 121.2 | -176.7 | -55.4 | 178.1 | 0 | 0 | 0 | 108.8 | H22 M30 A59 G63 I64 M66 | H22-I61 HydrophobicContact CB-CD1 4.24Å; H22-I61 HydrophobicContact CB-CG1 4.18Å; M30-I61 HydrophobicContact CB-CD1 3.13Å; M30-I61 HydrophobicContact CE-CD1 4.44Å; M30-I61 HydrophobicContact CG-CD1 4.38Å; A59-I61 PolarHBondContact O-N 3.04Å; I61-G63 PolarHBondContact O-N 2.68Å; I61-I64 PolarHBondContact N-O 2.03Å; I61-I64 PolarHBondContact O-N 3.11Å; I61-I64 VanDerWaalsContact O-O 3.1Å; I61-M66 HydrophobicContact CB-CB 4.3Å; I61-M66 HydrophobicContact CB-CG 3.82Å; I61-M66 HydrophobicContact CD1-CB 4.05Å; I61-M66 HydrophobicContact CD1-CG 4.4Å; I61-M66 HydrophobicContact CG1-CB 4.35Å; I61-M66 HydrophobicContact CG1-CG 4.41Å |
| 62 | S | 91 | Very high | 92.1 | Very high | 121 Ų | 121 | 56.5 Ų | 56.5 | 85% | 0.846 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.5 | 35.6 | -177.8 | -52.8 | 0 | 0 | 0 | 0 | 113.2 | ||
| 63 | G | 93.9 | Very high | 91.3 | Very high | 30 Ų | 30 | 61.3 Ų | 61.3 | 31% | 0.309 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.9 | 7.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | L45 C46 I61 | L45-G63 WeakPolarHBondContact CA-O 3.04Å; L45-G63 WeakPolarHBondContact CD2-O 3.42Å; C46-G63 PolarHBondContact N-O 3.36Å; C46-G63 CarbonylContact O-C 3.53Å; C46-G63 VanDerWaalsContact O-CA 3.25Å; C46-G63 WeakPolarHBondContact O-CA 3.37Å; I61-G63 PolarHBondContact O-N 2.68Å |
| 64 | I | 95.5 | Very high | 90.5 | Very high | 59 Ų | 59 | 62.4 Ų | 62.4 | 30% | 0.303 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 140.4 | -177.9 | -58 | 173.5 | 0 | 0 | 0 | 109 | P41 G44 L45 I61 M66 | P41-I64 HydrophobicContact CB-CG2 4.34Å; G44-I64 WeakPolarHBondContact O-CA 3.02Å; L45-I64 HydrophobicContact CD2-CG1 4.16Å; I61-I64 PolarHBondContact N-O 2.03Å; I61-I64 PolarHBondContact O-N 3.11Å; I61-I64 VanDerWaalsContact O-O 3.1Å; I64-M66 HydrophobicContact CB-CE 4.12Å; I64-M66 HydrophobicContact CG2-CE 4.25Å; I64-M66 PolarHBondContact O-N 3.24Å |
| 65 | C | 97.1 | Very high | 89.9 | Confident | 4 Ų | 4 | 63 Ų | 63 | 3% | 0.027 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 120.8 | 172.3 | -62.8 | 0 | 0 | 0 | 0 | 110.2 | A42 G43 G44 C52 A59 | A42-C65 PolarHBondContact N-O 2.8Å; G43-C65 WeakPolarHBondContact O-CB 3.09Å; G44-C65 PolarHBondContact O-N 3.44Å; G44-C65 VanDerWaalsContact O-N 3.1Å; C52-C65 VanDerWaalsContact CA-SG 3.51Å; C52-C65 HydrophobicContact CB-CB 3.76Å; C52-C65 WeakPolarHBondContact CB-SG 3.45Å; C52-C65 WeakPolarHBondContact SG-CA 3.39Å; C52-C65 WeakPolarHBondContact SG-CB 3.32Å; C52-C65 CovalentContact SG-SG 2.04Å; C52-C65 PolarHBondContact SG-SG 2.71Å; A59-C65 WeakPolarHBondContact O-CA 3.38Å |
| 66 | M | 96.7 | Very high | 89.7 | Confident | 13 Ų | 13 | 58.3 Ų | 58.3 | 6% | 0.064 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 156 | -177.2 | -65.4 | -70.4 | -173.7 | 0 | 0 | 110.7 | A39 K40 P41 Q58 A59 I61 I64 | A39-M66 HydrophobicContact CB-CB 4.25Å; K40-M66 WeakPolarHBondContact O-CA 3.44Å; P41-M66 VanDerWaalsContact CA-SD 3.53Å; P41-M66 HydrophobicContact CB-SD 4.19Å; P41-M66 HydrophobicContact CG-CE 4.3Å; P41-M66 HydrophobicContact CG-SD 3.94Å; P41-M66 VanDerWaalsContact N-SD 3.37Å; Q58-M66 CarbonylContact C-O 3.58Å; Q58-M66 VanDerWaalsContact CA-O 3.23Å; Q58-M66 WeakPolarHBondContact CA-O 3.39Å; A59-M66 PolarHBondContact N-O 3.26Å; A59-M66 PolarHBondContact O-N 2.59Å; I61-M66 HydrophobicContact CB-CB 4.3Å; I61-M66 HydrophobicContact CB-CG 3.82Å; I61-M66 HydrophobicContact CD1-CB 4.05Å; I61-M66 HydrophobicContact CD1-CG 4.4Å; I61-M66 HydrophobicContact CG1-CB 4.35Å; I61-M66 HydrophobicContact CG1-CG 4.41Å; I64-M66 HydrophobicContact CB-CE 4.12Å; I64-M66 HydrophobicContact CG2-CE 4.25Å; I64-M66 PolarHBondContact O-N 3.24Å |
| 67 | V | 95.5 | Very high | 89.7 | Confident | 24 Ų | 24 | 52.6 Ų | 52.6 | 15% | 0.145 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 161.2 | 171.2 | -71.5 | 0 | 0 | 0 | 0 | 110.4 | A39 K40 A42 Q58 A69 | A39-V67 CarbonylContact C-O 3.49Å; A39-V67 VanDerWaalsContact CA-O 3.27Å; A39-V67 WeakPolarHBondContact CA-O 3.34Å; K40-V67 HydrophobicContact CG-CG2 3.76Å; K40-V67 PolarHBondContact N-O 2.86Å; K40-V67 PolarHBondContact O-N 2.93Å; A42-V67 HydrophobicContact CB-CG1 3.93Å; A42-V67 HydrophobicContact CB-CG2 4.31Å; Q58-V67 HydrophobicContact CB-CG1 4.17Å; Q58-V67 HydrophobicContact CG-CG1 3.56Å; V67-A69 PolarHBondContact O-N 3.16Å; V67-A69 VanDerWaalsContact O-N 3.17Å |
| 68 | P | 93.2 | Very high | 89.8 | Confident | 18 Ų | 18 | 56.1 Ų | 56.1 | 12% | 0.117 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.9 | 124.6 | 170.3 | -24.1 | 34.4 | 0 | 0 | 0 | 110.3 | M30 Y32 V37 V70 | M30-P68 HydrophobicContact SD-CB 4.44Å; M30-P68 WeakPolarHBondContact SD-CD 2.91Å; M30-P68 HydrophobicContact SD-CG 3.71Å; Y32-P68 HydrophobicContact CD1-CG 3.97Å; Y32-P68 HydrophobicContact CD2-CG 3.46Å; Y32-P68 VanDerWaalsContact CD2-CG 3.46Å; Y32-P68 HydrophobicContact CE1-CG 4.27Å; Y32-P68 HydrophobicContact CE2-CG 3.81Å; Y32-P68 HydrophobicContact CG-CB 4.47Å; Y32-P68 HydrophobicContact CG-CG 3.54Å; V37-P68 HydrophobicContact CG2-CB 3.99Å; V37-P68 HydrophobicContact CG2-CG 4.39Å; P68-V70 WeakPolarHBondContact CB-O 3.43Å; P68-V70 PolarHBondContact O-N 3.24Å |
| 69 | A | 92.9 | Very high | 89.7 | Confident | 44 Ų | 44 | 54.6 Ų | 54.6 | 36% | 0.364 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -67 | -30.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111 | P38 K40 V67 | P38-A69 HydrophobicContact CB-CB 4.18Å; P38-A69 WeakPolarHBondContact O-CB 3.36Å; P38-A69 PolarHBondContact O-N 3.12Å; K40-A69 HydrophobicContact CB-CB 4.1Å; K40-A69 HydrophobicContact CD-CB 4.39Å; K40-A69 HydrophobicContact CG-CB 4.21Å; V67-A69 PolarHBondContact O-N 3.16Å; V67-A69 VanDerWaalsContact O-N 3.17Å |
| 70 | V | 87.3 | Confident | 89.4 | Confident | 92 Ų | 92 | 58.3 Ų | 58.3 | 56% | 0.558 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -130.8 | 131.8 | 173.4 | -124.5 | 0 | 0 | 0 | 0 | 108 | P38 P68 P72 | P38-V70 HydrophobicContact CG-CG2 4.47Å; P68-V70 WeakPolarHBondContact CB-O 3.43Å; P68-V70 PolarHBondContact O-N 3.24Å; V70-P72 VanDerWaalsContact O-CD 3.23Å; V70-P72 WeakPolarHBondContact O-CD 3.2Å |
| 71 | K | 82 | Confident | 89.2 | Confident | 176 Ų | 176 | 60.5 Ų | 60.5 | 77% | 0.765 | 35% | 0.345 | S | S | * | . | trans | -77.3 | 112.5 | 169.2 | -72.7 | -176.4 | 179.7 | 179.9 | 0 | 107.4 | ||||
| 72 | P | 74.1 | Confident | 89.1 | Confident | 21 Ų | 21 | 59.7 Ų | 59.7 | 14% | 0.136 | 34% | 0.341 | C | S | . | . | trans | -60.7 | 139.3 | 179.6 | 23.3 | -32.3 | 0 | 0 | 0 | 110 | Y32 V37 V70 Y74 | Y32-P72 HydrophobicContact CD1-CG 3.95Å; Y32-P72 HydrophobicContact CE1-CG 4.26Å; V37-P72 HydrophobicContact CG1-CB 4.44Å; V37-P72 HydrophobicContact CG1-CG 4.03Å; V70-P72 VanDerWaalsContact O-CD 3.23Å; V70-P72 WeakPolarHBondContact O-CD 3.2Å; P72-Y74 HydrophobicContact CB-CD2 3.84Å; P72-Y74 HydrophobicContact CB-CE2 4.35Å; P72-Y74 PolarHBondContact O-N 2.96Å | ||
| 73 | P | 80.2 | Confident | 89.1 | Confident | 111 Ų | 111 | 59.9 Ų | 59.9 | 72% | 0.721 | 33% | 0.328 | S | S | * | . | S | Bend | trans | -73.6 | -4.6 | 178.8 | 31.6 | -36.1 | 0 | 0 | 0 | 112.8 | ||
| 74 | Y | 78.1 | Confident | 89 | Confident | 141 Ų | 141 | 61.5 Ų | 61.5 | 55% | 0.553 | 33% | 0.328 | S | S | * | . | S | Bend | trans | -90.8 | 150 | -174.3 | -36.9 | -70.7 | 0 | 0 | 0 | 111.6 | P72 | P72-Y74 HydrophobicContact CB-CD2 3.84Å; P72-Y74 HydrophobicContact CB-CE2 4.35Å; P72-Y74 PolarHBondContact O-N 2.96Å |
| 75 | P | 81 | Confident | 89 | Confident | 80 Ų | 80 | 58.8 Ų | 58.8 | 52% | 0.519 | 31% | 0.314 | S | S | . | . | P | Polyproline II helix | trans | -67 | 161.4 | 173.5 | 28.6 | -34 | 0 | 0 | 0 | 111.7 | R35 | R35-P75 PolarHBondContact NH1-O 2.95Š|
| 76 | T | 85.7 | Confident | 88.7 | Confident | 61 Ų | 61 | 64 Ų | 64 | 37% | 0.374 | 35% | 0.346 | S | S | . | . | P | Polyproline II helix | trans | -58.7 | 138.8 | 172.5 | -52.8 | 0 | 0 | 0 | 0 | 110.8 | R33 E78 | R33-T76 HydrophobicContact CB-CG2 3.95Å; R33-T76 VanDerWaalsContact CD-OG1 3.28Å; R33-T76 WeakPolarHBondContact CD-OG1 3.41Å; R33-T76 HydrophobicContact CG-CG2 4.32Å; R33-T76 WeakPolarHBondContact CG-OG1 3.27Å; T76-E78 PolarHBondContact O-N 2.89Å |
| 77 | I | 89.6 | Confident | 88.5 | Confident | 7 Ų | 7 | 65.7 Ų | 65.7 | 4% | 0.036 | 37% | 0.366 | C | S | . | . | trans | -74.7 | 114.8 | 166.6 | -61 | -179.4 | 0 | 0 | 0 | 106.7 | A18 R34 R35 C79 L80 L94 | A18-I77 HydrophobicContact CB-CD1 3.92Å; R34-I77 HydrophobicContact CB-CB 3.96Å; R34-I77 HydrophobicContact CB-CG2 4.49Å; R34-I77 WeakPolarHBondContact CD-O 3Å; R35-I77 HydrophobicContact CG-CD1 3.81Å; R35-I77 HydrophobicContact CG-CG1 4.38Å; R35-I77 VanDerWaalsContact CZ-CG1 3.42Å; I77-C79 WeakPolarHBondContact CG2-O 3.44Å; I77-L80 HydrophobicContact CG2-CD2 3.71Å; I77-L80 HydrophobicContact CG2-CG 4.32Å; I77-L94 HydrophobicContact CB-CB 4.48Å; I77-L94 HydrophobicContact CD1-CD1 4.06Å; I77-L94 HydrophobicContact CG1-CB 4.39Å; I77-L94 HydrophobicContact CG1-CD1 3.98Å; I77-L94 HydrophobicContact CG2-CB 4.08Å; I77-L94 HydrophobicContact CG2-CD2 4.31Å | ||
| 78 | E | 91.5 | Very high | 88.3 | Confident | 100 Ų | 100 | 71 Ų | 71 | 47% | 0.467 | 39% | 0.39 | S | S | . | . | trans | -83.3 | -33 | 178.9 | -58.4 | -174.9 | 163.5 | 0 | 0 | 111.8 | R34 T76 L94 C96 | R34-E78 PolarHBondContact NH1-O 3.4Å; T76-E78 PolarHBondContact O-N 2.89Å; E78-L94 PolarHBondContact N-O 2.97Å; E78-C96 PolarHBondContact OE2-N 2.78Å | ||
| 79 | C | 92.3 | Very high | 88.3 | Confident | 0 Ų | 0 | 75.5 Ų | 75.5 | 0% | 0 | 40% | 0.404 | C | S | . | . | trans | -151.2 | 154.9 | -177.3 | 60.6 | 0 | 0 | 0 | 0 | 111.3 | I77 E84 C85 C91 L94 Q95 | I77-C79 WeakPolarHBondContact CG2-O 3.44Å; C79-E84 HydrophobicContact CB-CB 4.03Å; C79-C85 VanDerWaalsContact SG-SG 3.62Å; C79-C91 HydrophobicContact CB-CB 3.77Å; C79-C91 WeakPolarHBondContact CB-SG 3.43Å; C79-C91 PolarHBondContact O-SG 2.04Å; C79-C91 WeakPolarHBondContact SG-CA 2.93Å; C79-C91 WeakPolarHBondContact SG-CB 3.44Å; C79-C91 CovalentContact SG-SG 2.03Å; C79-C91 PolarHBondContact SG-SG 2.81Å; C79-L94 PolarHBondContact N-O 3.05Å; C79-L94 WeakPolarHBondContact O-CA 3.43Å; C79-Q95 PolarHBondContact SG-O 2.93Å | ||
| 80 | L | 90.2 | Very high | 88.4 | Confident | 84 Ų | 84 | 73.4 Ų | 73.4 | 44% | 0.44 | 39% | 0.387 | S | S | . | . | S | Bend | trans | -112 | -32.8 | 166.8 | -57.8 | 172.2 | 0 | 0 | 0 | 111.1 | A18 I77 E84 L94 | A18-L80 HydrophobicContact CB-CD1 3.62Å; A18-L80 HydrophobicContact CB-CD2 3.47Å; A18-L80 VanDerWaalsContact CB-CD2 3.47Å; A18-L80 HydrophobicContact CB-CG 4.09Å; I77-L80 HydrophobicContact CG2-CD2 3.71Å; I77-L80 HydrophobicContact CG2-CG 4.32Å; L80-E84 WeakPolarHBondContact CA-OE1 3.27Å; L80-E84 VanDerWaalsContact CB-OE1 3.31Å; L80-E84 WeakPolarHBondContact CB-OE1 3.31Å; L80-E84 PolarHBondContact N-OE1 2.84Å; L80-L94 HydrophobicContact CD2-CD2 4.04Å |
| 81 | T | 91 | Very high | 88.7 | Confident | 64 Ų | 64 | 69.3 Ų | 69.3 | 39% | 0.393 | 36% | 0.362 | S | S | . | . | S | Bend | trans | -124.1 | 162.1 | 176.1 | 81.9 | 0 | 0 | 0 | 0 | 111.2 | E83 E84 C91 | T81-E83 WeakPolarHBondContact CB-OE2 3.36Å; T81-E83 PolarHBondContact O-N 3.29Å; T81-E83 PolarHBondContact OG1-OE2 3.04Å; T81-E84 PolarHBondContact N-OE1 2.04Å; T81-E84 VanDerWaalsContact N-OE1 3.11Å; T81-E84 PolarHBondContact O-N 2.87Å; T81-C91 VanDerWaalsContact C-CB 3.49Å; T81-C91 WeakPolarHBondContact O-CB 2.93Å |
| 82 | D | 91.3 | Very high | 89.1 | Confident | 4 Ų | 4 | 65.1 Ų | 65.1 | 2% | 0.021 | 34% | 0.344 | C | S | . | . | G | 310 helix | trans | -57.6 | -43.5 | 178.1 | -68.4 | -46.1 | 0 | 0 | 0 | 110.2 | E84 C85 L90 C91 Y109 R117 R119 | D82-E84 PolarHBondContact O-N 2.64Å; D82-C85 WeakPolarHBondContact O-CB 3.45Å; D82-C85 PolarHBondContact O-N 3.28Å; D82-L90 HydrophobicContact CB-CD2 4.31Å; D82-L90 WeakPolarHBondContact OD1-CA 3.19Å; D82-L90 WeakPolarHBondContact OD1-CD2 3.42Å; D82-C91 PolarHBondContact OD1-N 3.03Å; D82-Y109 PolarHBondContact OD2-OH 2.96Å; D82-R117 WeakPolarHBondContact OD1-CD 3.42Å; D82-R117 IonicContact OD1-NE 3.16Å; D82-R117 WeakPolarHBondContact OD2-CD 3.29Å; D82-R117 IonicContact OD2-NE 3.19Å; D82-R119 PolarHBondContact O-NH1 2.96Å; D82-R119 PolarHBondContact O-NH2 2.93Å |
| 83 | E | 91 | Very high | 89.8 | Confident | 124 Ų | 124 | 70.4 Ų | 70.4 | 58% | 0.579 | 37% | 0.371 | S | S | * | . | G | 310 helix | trans | -52.8 | -27.6 | -175 | -64.8 | 73.2 | -159 | 0 | 0 | 114.1 | T81 C85 | T81-E83 WeakPolarHBondContact CB-OE2 3.36Å; T81-E83 PolarHBondContact O-N 3.29Å; T81-E83 PolarHBondContact OG1-OE2 3.04Å; E83-C85 VanDerWaalsContact C-N 3.32Å |
| 84 | E | 93.2 | Very high | 90.4 | Very high | 65 Ų | 65 | 68.3 Ų | 68.3 | 30% | 0.304 | 35% | 0.354 | S | S | . | . | G | 310 helix | trans | -72.6 | -24.1 | 177.2 | -62.1 | -178.7 | -117.6 | 0 | 0 | 113.6 | R34 C79 L80 T81 D82 | R34-E84 IonicContact CZ-OE2 2.87Å; R34-E84 IonicContact NH1-OE2 3.83Å; R34-E84 PolarHBondContact NH1-OE2 3.39Å; R34-E84 IonicContact NH2-OE2 2.64Å; R34-E84 PolarHBondContact NH2-OE2 2.95Å; C79-E84 HydrophobicContact CB-CB 4.03Å; L80-E84 WeakPolarHBondContact CA-OE1 3.27Å; L80-E84 VanDerWaalsContact CB-OE1 3.31Å; L80-E84 WeakPolarHBondContact CB-OE1 3.31Å; L80-E84 PolarHBondContact N-OE1 2.84Å; T81-E84 PolarHBondContact N-OE1 2.04Å; T81-E84 VanDerWaalsContact N-OE1 3.11Å; T81-E84 PolarHBondContact O-N 2.87Å; D82-E84 PolarHBondContact O-N 2.64Å |
| 85 | C | 94.1 | Very high | 91 | Very high | 2 Ų | 2 | 65.9 Ų | 65.9 | 1% | 0.014 | 35% | 0.347 | C | S | . | . | S | Bend | trans | -80.7 | 129 | 176.8 | -59.4 | 0 | 0 | 0 | 0 | 110.9 | C79 D82 E83 R89 C96 R119 | C79-C85 VanDerWaalsContact SG-SG 3.62Å; D82-C85 WeakPolarHBondContact O-CB 3.45Å; D82-C85 PolarHBondContact O-N 3.28Å; E83-C85 VanDerWaalsContact C-N 3.32Å; C85-R89 HydrophobicContact CB-CB 3.89Å; C85-C96 WeakPolarHBondContact CA-SG 3.23Å; C85-C96 HydrophobicContact CB-CB 3.76Å; C85-C96 WeakPolarHBondContact CB-SG 3.28Å; C85-C96 WeakPolarHBondContact SG-CA 3.37Å; C85-C96 WeakPolarHBondContact SG-CB 3.01Å; C85-C96 CovalentContact SG-SG 2.04Å; C85-C96 PolarHBondContact SG-SG 3Å; C85-R119 PolarHBondContact O-NH2 3.28Å |
| 86 | T | 92.6 | Very high | 91.7 | Very high | 114 Ų | 114 | 62.8 Ų | 62.8 | 70% | 0.699 | 33% | 0.328 | S | S | * | . | trans | -83.9 | 151.3 | 176.2 | 58.9 | 0 | 0 | 0 | 0 | 111.9 | R89 | T86-R89 VanDerWaalsContact O-CD 3.32Å; T86-R89 WeakPolarHBondContact O-CD 3.38Å; T86-R89 WeakPolarHBondContact O-CG 3.27Å | ||
| 87 | G | 91 | Very high | 92.1 | Very high | 47 Ų | 47 | 61.8 Ų | 61.8 | 49% | 0.485 | 32% | 0.321 | S | S | . | . | S | Bend | trans | 67.6 | -157.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | R89 Y120 | G87-R89 PolarHBondContact O-N 3.44Å; G87-Y120 WeakPolarHBondContact O-CE2 3.49Å; G87-Y120 PolarHBondContact O-OH 2.87Å |
| 88 | Q | 90.9 | Very high | 92.3 | Very high | 136 Ų | 136 | 64 Ų | 64 | 64% | 0.636 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -81.1 | 64.7 | -178.5 | -66.5 | 178.2 | -14.8 | 0 | 0 | 111.2 | A99 W124 | Q88-A99 PolarHBondContact O-N 3.39Å; Q88-W124 HydrophobicContact CB-CH2 4.13Å; Q88-W124 HydrophobicContact CB-CZ3 3.89Å; Q88-W124 HydrophobicContact CG-CH2 3.81Å; Q88-W124 HydrophobicContact CG-CZ3 4.1Å |
| 89 | R | 94 | Very high | 92.5 | Very high | 112 Ų | 112 | 59.5 Ų | 59.5 | 42% | 0.423 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 156.9 | -176.7 | -62.2 | 179.6 | 95.7 | 156.8 | 1.7 | 110.6 | C85 T86 G87 C96 V97 R119 | C85-R89 HydrophobicContact CB-CB 3.89Å; T86-R89 VanDerWaalsContact O-CD 3.32Å; T86-R89 WeakPolarHBondContact O-CD 3.38Å; T86-R89 WeakPolarHBondContact O-CG 3.27Å; G87-R89 PolarHBondContact O-N 3.44Å; R89-C96 PolarHBondContact NE-O 2.96Å; R89-C96 PolarHBondContact NH2-O 3.22Å; R89-V97 CarbonylContact C-O 3.55Å; R89-V97 WeakPolarHBondContact CA-O 3.48Å; R89-V97 WeakPolarHBondContact CB-O 3.47Å; R89-R119 PolarHBondContact O-NH1 3.2Å |
| 90 | L | 94.2 | Very high | 92.6 | Very high | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 154 | 171.5 | -68.4 | 177.1 | 0 | 0 | 0 | 109.7 | D82 F92 C96 V97 A99 R117 R119 W124 | D82-L90 HydrophobicContact CB-CD2 4.31Å; D82-L90 WeakPolarHBondContact OD1-CA 3.19Å; D82-L90 WeakPolarHBondContact OD1-CD2 3.42Å; L90-F92 PolarHBondContact O-N 2.79Å; L90-C96 WeakPolarHBondContact O-CA 3.28Å; L90-V97 PolarHBondContact N-O 3.27Å; L90-V97 PolarHBondContact O-N 3.1Å; L90-A99 HydrophobicContact CB-CB 4.19Å; L90-A99 HydrophobicContact CD1-CB 3.81Å; L90-A99 HydrophobicContact CG-CB 3.55Å; L90-R117 HydrophobicContact CD1-CB 4.15Å; L90-R117 HydrophobicContact CD1-CG 4.42Å; L90-R117 HydrophobicContact CD2-CB 4.07Å; L90-R119 HydrophobicContact CD2-CB 4.32Å; L90-W124 HydrophobicContact CD1-CB 3.75Å; L90-W124 HydrophobicContact CD2-CB 4.21Å; L90-W124 HydrophobicContact CG-CB 4.22Å |
| 91 | C | 93.7 | Very high | 92.7 | Very high | 7 Ų | 7 | 60.3 Ų | 60.3 | 5% | 0.047 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 110.2 | 169 | -166.5 | 0 | 0 | 0 | 0 | 109.4 | C79 T81 D82 R117 | C79-C91 HydrophobicContact CB-CB 3.77Å; C79-C91 WeakPolarHBondContact CB-SG 3.43Å; C79-C91 PolarHBondContact O-SG 2.04Å; C79-C91 WeakPolarHBondContact SG-CA 2.93Å; C79-C91 WeakPolarHBondContact SG-CB 3.44Å; C79-C91 CovalentContact SG-SG 2.03Å; C79-C91 PolarHBondContact SG-SG 2.81Å; T81-C91 VanDerWaalsContact C-CB 3.49Å; T81-C91 WeakPolarHBondContact O-CB 2.93Å; D82-C91 PolarHBondContact OD1-N 3.03Å; C91-R117 PolarHBondContact O-NE 3.18Å; C91-R117 PolarHBondContact O-NH2 3.3Å |
| 92 | F | 91.5 | Very high | 92.7 | Very high | 87 Ų | 87 | 59.6 Ų | 59.6 | 38% | 0.382 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 126.6 | 179.8 | -168.3 | -93.6 | 0 | 0 | 0 | 108.8 | L90 L94 Q95 V97 P126 | L90-F92 PolarHBondContact O-N 2.79Å; F92-L94 PolarHBondContact O-N 2.93Å; F92-L94 VanDerWaalsContact O-N 3.16Å; F92-Q95 PolarHBondContact N-O 3.4Å; F92-Q95 PolarHBondContact O-N 2.92Å; F92-Q95 VanDerWaalsContact O-O 3.06Å; F92-V97 HydrophobicContact CB-CG1 4.34Å; F92-V97 HydrophobicContact CB-CG2 3.54Å; F92-V97 HydrophobicContact CG-CG2 4.44Å; F92-P126 HydrophobicContact CB-CG 4.27Å; F92-P126 HydrophobicContact CD2-CG 3.62Å; F92-P126 HydrophobicContact CE2-CG 4.1Å; F92-P126 HydrophobicContact CG-CG 3.91Å |
| 93 | D | 89.6 | Confident | 92.5 | Very high | 132 Ų | 132 | 66.5 Ų | 66.5 | 71% | 0.706 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 45.5 | 45.2 | -174.6 | -70 | -17 | 0 | 0 | 0 | 113.9 | Q95 | D93-Q95 PolarHBondContact O-N 2.78Š|
| 94 | L | 91 | Very high | 92.6 | Very high | 68 Ų | 68 | 66.6 Ų | 66.6 | 36% | 0.356 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.2 | 16.5 | 178.6 | -49.8 | 175 | 0 | 0 | 0 | 114.5 | I77 E78 C79 L80 F92 | I77-L94 HydrophobicContact CB-CB 4.48Å; I77-L94 HydrophobicContact CD1-CD1 4.06Å; I77-L94 HydrophobicContact CG1-CB 4.39Å; I77-L94 HydrophobicContact CG1-CD1 3.98Å; I77-L94 HydrophobicContact CG2-CB 4.08Å; I77-L94 HydrophobicContact CG2-CD2 4.31Å; E78-L94 PolarHBondContact N-O 2.97Å; C79-L94 PolarHBondContact N-O 3.05Å; C79-L94 WeakPolarHBondContact O-CA 3.43Å; L80-L94 HydrophobicContact CD2-CD2 4.04Å; F92-L94 PolarHBondContact O-N 2.93Å; F92-L94 VanDerWaalsContact O-N 3.16Å |
| 95 | Q | 92.3 | Very high | 92.7 | Very high | 89 Ų | 89 | 71.6 Ų | 71.6 | 42% | 0.416 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 147.7 | 177.4 | -65.3 | -171.4 | -13.4 | 0 | 0 | 111.8 | C79 F92 D93 V97 | C79-Q95 PolarHBondContact SG-O 2.93Å; F92-Q95 PolarHBondContact N-O 3.4Å; F92-Q95 PolarHBondContact O-N 2.92Å; F92-Q95 VanDerWaalsContact O-O 3.06Å; D93-Q95 PolarHBondContact O-N 2.78Å; Q95-V97 HydrophobicContact CB-CG1 4.45Å; Q95-V97 PolarHBondContact O-N 2.78Å |
| 96 | C | 94.5 | Very high | 92.7 | Very high | 16 Ų | 16 | 71.9 Ų | 71.9 | 11% | 0.108 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 96.3 | 174.7 | -71.5 | 0 | 0 | 0 | 0 | 110.4 | E78 C85 R89 L90 | E78-C96 PolarHBondContact OE2-N 2.78Å; C85-C96 WeakPolarHBondContact CA-SG 3.23Å; C85-C96 HydrophobicContact CB-CB 3.76Å; C85-C96 WeakPolarHBondContact CB-SG 3.28Å; C85-C96 WeakPolarHBondContact SG-CA 3.37Å; C85-C96 WeakPolarHBondContact SG-CB 3.01Å; C85-C96 CovalentContact SG-SG 2.04Å; C85-C96 PolarHBondContact SG-SG 3Å; R89-C96 PolarHBondContact NE-O 2.96Å; R89-C96 PolarHBondContact NH2-O 3.22Å; L90-C96 WeakPolarHBondContact O-CA 3.28Å |
| 97 | V | 94.3 | Very high | 92.6 | Very high | 39 Ų | 39 | 70.6 Ų | 70.6 | 24% | 0.236 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 148.6 | 179.8 | -58.8 | 0 | 0 | 0 | 0 | 111 | R89 L90 F92 Q95 P126 | R89-V97 CarbonylContact C-O 3.55Å; R89-V97 WeakPolarHBondContact CA-O 3.48Å; R89-V97 WeakPolarHBondContact CB-O 3.47Å; L90-V97 PolarHBondContact N-O 3.27Å; L90-V97 PolarHBondContact O-N 3.1Å; F92-V97 HydrophobicContact CB-CG1 4.34Å; F92-V97 HydrophobicContact CB-CG2 3.54Å; F92-V97 HydrophobicContact CG-CG2 4.44Å; Q95-V97 HydrophobicContact CB-CG1 4.45Å; Q95-V97 PolarHBondContact O-N 2.78Å; V97-P126 HydrophobicContact CG2-CB 3.95Å; V97-P126 HydrophobicContact CG2-CG 4.3Å |
| 98 | A | 94.8 | Very high | 92.4 | Very high | 53 Ų | 53 | 74.8 Ų | 74.8 | 44% | 0.438 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.8 | 144.4 | 170.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | Y127 | A98-Y127 WeakPolarHBondContact O-CB 3.17Å; A98-Y127 PolarHBondContact O-N 2.04Å |
| 99 | A | 94.6 | Very high | 91.8 | Very high | 7 Ų | 7 | 73.4 Ų | 73.4 | 6% | 0.058 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 155.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111 | Q88 L90 W124 V125 | Q88-A99 PolarHBondContact O-N 3.39Å; L90-A99 HydrophobicContact CB-CB 4.19Å; L90-A99 HydrophobicContact CD1-CB 3.81Å; L90-A99 HydrophobicContact CG-CB 3.55Å; A99-W124 HydrophobicContact CB-CB 4.42Å; A99-W124 HydrophobicContact CB-CE3 3.91Å; A99-W124 WeakPolarHBondContact O-CZ3 3.04Å; A99-V125 CarbonylContact C-O 3.57Å; A99-V125 WeakPolarHBondContact CA-O 3.02Å; A99-V125 VanDerWaalsContact CB-O 3.29Å; A99-V125 WeakPolarHBondContact CB-O 3.37Å |
| 100 | V | 94.2 | Very high | 91.4 | Very high | 62 Ų | 62 | 74.2 Ų | 74.2 | 38% | 0.376 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 143 | 176.1 | -69 | 0 | 0 | 0 | 0 | 110.8 | W124 V125 Y127 | V100-W124 VanDerWaalsContact O-CA 3.27Å; V100-W124 WeakPolarHBondContact O-CA 3.4Å; V100-V125 HydrophobicContact CG2-CG2 3.8Å; V100-V125 PolarHBondContact N-O 3.17Å; V100-V125 PolarHBondContact O-N 2.03Å; V100-Y127 HydrophobicContact CG1-CD2 3.65Å; V100-Y127 HydrophobicContact CG1-CG 4.34Å |
| 101 | S | 93 | Very high | 91.1 | Very high | 39 Ų | 39 | 80.4 Ų | 80.4 | 27% | 0.273 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 142.6 | 173.3 | 170.2 | 0 | 0 | 0 | 0 | 109.7 | D103 C123 W124 | S101-D103 VanDerWaalsContact C-N 3.32Å; S101-D103 PolarHBondContact OG-N 3.36Å; S101-D103 PolarHBondContact OG-OD1 3.07Å; S101-C123 CarbonylContact C-O 3.57Å; S101-C123 WeakPolarHBondContact CA-O 3.38Å; S101-W124 VanDerWaalsContact N-CE3 3.28Å |
| 102 | T | 91.4 | Very high | 91.1 | Very high | 49 Ų | 49 | 80.8 Ų | 80.8 | 30% | 0.301 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 15.2 | 171.2 | 75.3 | 0 | 0 | 0 | 0 | 112.2 | R104 Q116 C123 V125 | T102-R104 PolarHBondContact O-N 2.78Å; T102-Q116 PolarHBondContact OG1-OE1 2.91Å; T102-C123 PolarHBondContact N-O 3.35Å; T102-C123 PolarHBondContact OG1-O 2.95Å; T102-V125 HydrophobicContact CG2-CG1 4.17Å; T102-V125 HydrophobicContact CG2-CG2 4.2Å |
| 103 | D | 86.9 | Confident | 91.1 | Very high | 148 Ų | 148 | 78.5 Ų | 78.5 | 79% | 0.791 | 40% | 0.404 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 55.8 | 19.4 | -178.7 | -58.6 | -32.4 | 0 | 0 | 0 | 115.2 | S101 | S101-D103 VanDerWaalsContact C-N 3.32Å; S101-D103 PolarHBondContact OG-N 3.36Å; S101-D103 PolarHBondContact OG-OD1 3.07Å |
| 104 | R | 92.7 | Very high | 91 | Very high | 126 Ų | 126 | 78.6 Ų | 78.6 | 48% | 0.475 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 119.5 | 175.2 | -178 | 173.7 | 177.4 | 161.4 | -1.2 | 109.1 | T102 R111 A122 C123 | T102-R104 PolarHBondContact O-N 2.78Å; R104-R111 PolarHBondContact NE-O 3.25Å; R104-R111 VanDerWaalsContact NE-O 3.11Å; R104-R111 PolarHBondContact NH2-O 3.43Å; R104-A122 CarbonylContact O-C 3.42Å; R104-A122 VanDerWaalsContact O-CA 3.24Å; R104-A122 WeakPolarHBondContact O-CA 3.48Å; R104-C123 HydrophobicContact CB-CB 4.24Å; R104-C123 PolarHBondContact O-N 3.02Å |
| 105 | E | 94.4 | Very high | 90.8 | Very high | 170 Ų | 170 | 78.9 Ų | 78.9 | 79% | 0.794 | 43% | 0.432 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 144.6 | 176.5 | -65.6 | -177.3 | 177.7 | 0 | 0 | 112.1 | G121 | E105-G121 VanDerWaalsContact CA-O 3.29Å; E105-G121 WeakPolarHBondContact CA-O 3.23Å |
| 106 | C | 94.6 | Very high | 90.8 | Very high | 8 Ų | 8 | 76.8 Ų | 76.8 | 5% | 0.054 | 42% | 0.422 | C | S | . | . | trans | -153 | 151 | 175.2 | 67.5 | 0 | 0 | 0 | 0 | 110.8 | R111 C118 G121 A122 | C106-R111 HydrophobicContact CB-CB 3.99Å; C106-C118 HydrophobicContact CB-CB 3.92Å; C106-C118 WeakPolarHBondContact CB-SG 3.38Å; C106-C118 PolarHBondContact O-SG 2.98Å; C106-C118 VanDerWaalsContact O-SG 3.37Å; C106-C118 WeakPolarHBondContact SG-CA 3.25Å; C106-C118 WeakPolarHBondContact SG-CB 3.44Å; C106-C118 CovalentContact SG-SG 2.02Å; C106-C118 PolarHBondContact SG-SG 3.18Å; C106-G121 PolarHBondContact N-O 3.13Å; C106-G121 CarbonylContact O-C 3.51Å; C106-G121 WeakPolarHBondContact O-CA 3.33Å; C106-A122 PolarHBondContact SG-O 2.88Å | ||
| 107 | D | 90.9 | Very high | 90.7 | Very high | 88 Ų | 88 | 80.5 Ų | 80.5 | 47% | 0.471 | 43% | 0.434 | S | S | . | . | S | Bend | trans | -111.6 | -12.6 | 168.6 | 64.6 | -13.5 | 0 | 0 | 0 | 112.2 | R111 | D107-R111 WeakPolarHBondContact OD1-CD 3.4Å; D107-R111 IonicContact OD1-CZ 3.03Å; D107-R111 IonicContact OD1-NE 3.73Å; D107-R111 PolarHBondContact OD1-NE 2.02Å; D107-R111 IonicContact OD1-NH1 3.93Å; D107-R111 PolarHBondContact OD1-NH1 3.22Å; D107-R111 IonicContact OD1-NH2 3.09Å; D107-R111 PolarHBondContact OD1-NH2 3.2Å; D107-R111 VanDerWaalsContact OD1-NH2 3.09Å; D107-R111 IonicContact OD2-CZ 2.78Å; D107-R111 IonicContact OD2-NH1 3.06Å; D107-R111 PolarHBondContact OD2-NH1 3.32Å; D107-R111 IonicContact OD2-NH2 2.65Å; D107-R111 PolarHBondContact OD2-NH2 3.17Å |
| 108 | K | 86.9 | Confident | 90.6 | Very high | 134 Ų | 134 | 79.4 Ų | 79.4 | 58% | 0.583 | 43% | 0.428 | S | S | * | . | S | Bend | trans | -149.1 | 149.7 | -174.8 | -63.8 | -177.4 | -174 | -176.6 | 0 | 110 | T110 R111 C118 | K108-T110 PolarHBondContact O-N 3.3Å; K108-T110 VanDerWaalsContact O-N 3.15Å; K108-R111 PolarHBondContact O-N 3.2Å; K108-C118 PolarHBondContact N-SG 3.35Å |
| 109 | Y | 79 | Confident | 90.4 | Very high | 107 Ų | 107 | 78.1 Ų | 78.1 | 42% | 0.42 | 41% | 0.412 | S | S | . | . | G | 310 helix | trans | -51.9 | -37.3 | 178.2 | -69.5 | -78.4 | 0 | 0 | 0 | 113.9 | D82 R111 C112 R117 C118 | D82-Y109 PolarHBondContact OD2-OH 2.96Å; Y109-R111 PolarHBondContact O-N 2.85Å; Y109-R111 VanDerWaalsContact O-N 3.11Å; Y109-C112 PolarHBondContact O-N 2.78Å; Y109-C112 VanDerWaalsContact O-N 3.11Å; Y109-R117 HydrophobicContact CD1-CB 4.28Å; Y109-R117 HydrophobicContact CE1-CB 3.92Å; Y109-R117 HydrophobicContact CE1-CG 4.35Å; Y109-C118 HydrophobicContact CD1-CB 4.27Å; Y109-C118 HydrophobicContact CG-CB 4.46Å |
| 110 | T | 84 | Confident | 90.2 | Very high | 130 Ų | 130 | 84.3 Ų | 84.3 | 80% | 0.798 | 43% | 0.434 | S | S | * | . | G | 310 helix | trans | -67.4 | -11.8 | -177.8 | 60 | 0 | 0 | 0 | 0 | 114.3 | K108 | K108-T110 PolarHBondContact O-N 3.3Å; K108-T110 VanDerWaalsContact O-N 3.15Å |
| 111 | R | 89.6 | Confident | 90 | Very high | 129 Ų | 129 | 83.6 Ų | 83.6 | 49% | 0.487 | 44% | 0.44 | S | S | . | . | G | 310 helix | trans | -85.8 | -11.7 | 175.7 | -70 | -160.6 | -173.3 | 151 | 14.8 | 113.3 | R104 C106 D107 K108 Y109 | R104-R111 PolarHBondContact NE-O 3.25Å; R104-R111 VanDerWaalsContact NE-O 3.11Å; R104-R111 PolarHBondContact NH2-O 3.43Å; C106-R111 HydrophobicContact CB-CB 3.99Å; D107-R111 WeakPolarHBondContact OD1-CD 3.4Å; D107-R111 IonicContact OD1-CZ 3.03Å; D107-R111 IonicContact OD1-NE 3.73Å; D107-R111 PolarHBondContact OD1-NE 2.02Å; D107-R111 IonicContact OD1-NH1 3.93Å; D107-R111 PolarHBondContact OD1-NH1 3.22Å; D107-R111 IonicContact OD1-NH2 3.09Å; D107-R111 PolarHBondContact OD1-NH2 3.2Å; D107-R111 VanDerWaalsContact OD1-NH2 3.09Å; D107-R111 IonicContact OD2-CZ 2.78Å; D107-R111 IonicContact OD2-NH1 3.06Å; D107-R111 PolarHBondContact OD2-NH1 3.32Å; D107-R111 IonicContact OD2-NH2 2.65Å; D107-R111 PolarHBondContact OD2-NH2 3.17Å; K108-R111 PolarHBondContact O-N 3.2Å; Y109-R111 PolarHBondContact O-N 2.85Å; Y109-R111 VanDerWaalsContact O-N 3.11Å |
| 112 | C | 92.5 | Very high | 90.1 | Very high | 15 Ų | 15 | 82.4 Ų | 82.4 | 10% | 0.101 | 43% | 0.433 | C | S | . | . | S | Bend | trans | -91.7 | 147.4 | 178.3 | -59.9 | 0 | 0 | 0 | 0 | 111.1 | Y109 Q116 C123 | Y109-C112 PolarHBondContact O-N 2.78Å; Y109-C112 VanDerWaalsContact O-N 3.11Å; C112-Q116 HydrophobicContact CB-CB 3.85Å; C112-C123 WeakPolarHBondContact CA-SG 3.49Å; C112-C123 HydrophobicContact CB-CB 3.8Å; C112-C123 WeakPolarHBondContact CB-SG 3.37Å; C112-C123 VanDerWaalsContact SG-CA 3.52Å; C112-C123 WeakPolarHBondContact SG-CB 3.44Å; C112-C123 CovalentContact SG-SG 2.04Å; C112-C123 PolarHBondContact SG-SG 3.1Å |
| 113 | P | 91.8 | Very high | 90.2 | Very high | 39 Ų | 39 | 80.1 Ų | 80.1 | 25% | 0.253 | 42% | 0.418 | S | S | . | . | P | Polyproline II helix | trans | -50.9 | 155.4 | 168.2 | -25.6 | 32.3 | 0 | 0 | 0 | 112.6 | G115 Q116 | P113-G115 PolarHBondContact O-N 3.17Å; P113-Q116 HydrophobicContact CB-CG 4.14Å; P113-Q116 WeakPolarHBondContact O-CB 3.46Å; P113-Q116 PolarHBondContact O-N 3.45Å; P113-Q116 VanDerWaalsContact O-N 3.1Å |
| 114 | P | 88.7 | Confident | 90.6 | Very high | 134 Ų | 134 | 74 Ų | 74 | 87% | 0.87 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.4 | 138 | 174.6 | -25.5 | 34.2 | 0 | 0 | 0 | 112.1 | Q116 | P114-Q116 VanDerWaalsContact C-N 3.27Å; P114-Q116 PolarHBondContact O-N 2.84Å |
| 115 | G | 86.5 | Confident | 90.7 | Very high | 75 Ų | 75 | 70 Ų | 70 | 77% | 0.773 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.2 | -8.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | P113 | P113-G115 PolarHBondContact O-N 3.17Š|
| 116 | Q | 91.6 | Very high | 90.6 | Very high | 45 Ų | 45 | 63.5 Ų | 63.5 | 21% | 0.21 | 35% | 0.346 | C | S | . | . | trans | -99.5 | 156.2 | 176.9 | -50.3 | -166.7 | -0.5 | 0 | 0 | 111.4 | T102 C112 P113 P114 C123 W124 V125 | T102-Q116 PolarHBondContact OG1-OE1 2.91Å; C112-Q116 HydrophobicContact CB-CB 3.85Å; P113-Q116 HydrophobicContact CB-CG 4.14Å; P113-Q116 WeakPolarHBondContact O-CB 3.46Å; P113-Q116 PolarHBondContact O-N 3.45Å; P113-Q116 VanDerWaalsContact O-N 3.1Å; P114-Q116 VanDerWaalsContact C-N 3.27Å; P114-Q116 PolarHBondContact O-N 2.84Å; Q116-C123 HydrophobicContact CB-CB 4.5Å; Q116-C123 VanDerWaalsContact OE1-CB 3.32Å; Q116-W124 WeakPolarHBondContact CA-O 3.39Å; Q116-V125 HydrophobicContact CB-CG1 4.16Å; Q116-V125 HydrophobicContact CG-CG1 3.55Å | ||
| 117 | R | 91.4 | Very high | 90.5 | Very high | 93 Ų | 93 | 68.9 Ų | 68.9 | 35% | 0.351 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 140.4 | 179.9 | -62.6 | -161.8 | -156.1 | -102.2 | 12.3 | 111 | D82 L90 C91 Y109 C123 W124 | D82-R117 WeakPolarHBondContact OD1-CD 3.42Å; D82-R117 IonicContact OD1-NE 3.16Å; D82-R117 WeakPolarHBondContact OD2-CD 3.29Å; D82-R117 IonicContact OD2-NE 3.19Å; L90-R117 HydrophobicContact CD1-CB 4.15Å; L90-R117 HydrophobicContact CD1-CG 4.42Å; L90-R117 HydrophobicContact CD2-CB 4.07Å; C91-R117 PolarHBondContact O-NE 3.18Å; C91-R117 PolarHBondContact O-NH2 3.3Å; Y109-R117 HydrophobicContact CD1-CB 4.28Å; Y109-R117 HydrophobicContact CE1-CB 3.92Å; Y109-R117 HydrophobicContact CE1-CG 4.35Å; R117-C123 CarbonylContact O-C 3.33Å; R117-C123 WeakPolarHBondContact O-CA 3.01Å; R117-W124 PolarHBondContact N-O 3.02Å; R117-W124 PolarHBondContact O-N 3.36Å |
| 118 | C | 92.7 | Very high | 90.1 | Very high | 16 Ų | 16 | 72.5 Ų | 72.5 | 11% | 0.108 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 118.7 | 177.6 | -174.7 | 0 | 0 | 0 | 0 | 110.1 | C106 K108 Y109 | C106-C118 HydrophobicContact CB-CB 3.92Å; C106-C118 WeakPolarHBondContact CB-SG 3.38Å; C106-C118 PolarHBondContact O-SG 2.98Å; C106-C118 VanDerWaalsContact O-SG 3.37Å; C106-C118 WeakPolarHBondContact SG-CA 3.25Å; C106-C118 WeakPolarHBondContact SG-CB 3.44Å; C106-C118 CovalentContact SG-SG 2.02Å; C106-C118 PolarHBondContact SG-SG 3.18Å; K108-C118 PolarHBondContact N-SG 3.35Å; Y109-C118 HydrophobicContact CD1-CB 4.27Å; Y109-C118 HydrophobicContact CG-CB 4.46Å |
| 119 | R | 91.2 | Very high | 89.6 | Confident | 27 Ų | 27 | 70.3 Ų | 70.3 | 10% | 0.102 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 146.5 | 179.9 | -161.4 | -178.5 | 179.4 | 143.9 | 15.7 | 111 | D82 C85 R89 L90 G121 A122 W124 | D82-R119 PolarHBondContact O-NH1 2.96Å; D82-R119 PolarHBondContact O-NH2 2.93Å; C85-R119 PolarHBondContact O-NH2 3.28Å; R89-R119 PolarHBondContact O-NH1 3.2Å; L90-R119 HydrophobicContact CD2-CB 4.32Å; R119-G121 PolarHBondContact O-N 2.73Å; R119-A122 PolarHBondContact N-O 3.49Å; R119-A122 CarbonylContact O-C 3.58Å; R119-A122 PolarHBondContact O-N 2.83Å; R119-W124 HydrophobicContact CB-CG 4.49Å; R119-W124 PolarHBondContact O-NE1 2.87Å |
| 120 | Y | 90 | Very high | 89.4 | Confident | 136 Ų | 136 | 70.4 Ų | 70.4 | 53% | 0.533 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.6 | 31.7 | 179.2 | -54.1 | -58.7 | 0 | 0 | 0 | 114.1 | G87 A122 W124 | G87-Y120 WeakPolarHBondContact O-CE2 3.49Å; G87-Y120 PolarHBondContact O-OH 2.87Å; Y120-A122 VanDerWaalsContact C-N 3.27Å; Y120-A122 PolarHBondContact O-N 3.22Å; Y120-W124 HydrophobicContact CD2-CZ2 4.08Å |
| 121 | G | 90.7 | Very high | 88.8 | Confident | 47 Ų | 47 | 70.6 Ų | 70.6 | 49% | 0.485 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.1 | 3.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | E105 C106 R119 | E105-G121 VanDerWaalsContact CA-O 3.29Å; E105-G121 WeakPolarHBondContact CA-O 3.23Å; C106-G121 PolarHBondContact N-O 3.13Å; C106-G121 CarbonylContact O-C 3.51Å; C106-G121 WeakPolarHBondContact O-CA 3.33Å; R119-G121 PolarHBondContact O-N 2.73Å |
| 122 | A | 94 | Very high | 86.7 | Confident | 15 Ų | 15 | 71.5 Ų | 71.5 | 12% | 0.124 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 161.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112 | R104 C106 R119 Y120 W124 | R104-A122 CarbonylContact O-C 3.42Å; R104-A122 VanDerWaalsContact O-CA 3.24Å; R104-A122 WeakPolarHBondContact O-CA 3.48Å; C106-A122 PolarHBondContact SG-O 2.88Å; R119-A122 PolarHBondContact N-O 3.49Å; R119-A122 CarbonylContact O-C 3.58Å; R119-A122 PolarHBondContact O-N 2.83Å; Y120-A122 VanDerWaalsContact C-N 3.27Å; Y120-A122 PolarHBondContact O-N 3.22Å; A122-W124 PolarHBondContact O-NE1 3.49Å |
| 123 | C | 95 | Very high | 86.4 | Confident | 0 Ų | 0 | 74.4 Ų | 74.4 | 0% | 0 | 47% | 0.465 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 135.1 | 171.6 | -61.2 | 0 | 0 | 0 | 0 | 109.8 | S101 T102 R104 C112 Q116 R117 | S101-C123 CarbonylContact C-O 3.57Å; S101-C123 WeakPolarHBondContact CA-O 3.38Å; T102-C123 PolarHBondContact N-O 3.35Å; T102-C123 PolarHBondContact OG1-O 2.95Å; R104-C123 HydrophobicContact CB-CB 4.24Å; R104-C123 PolarHBondContact O-N 3.02Å; C112-C123 WeakPolarHBondContact CA-SG 3.49Å; C112-C123 HydrophobicContact CB-CB 3.8Å; C112-C123 WeakPolarHBondContact CB-SG 3.37Å; C112-C123 VanDerWaalsContact SG-CA 3.52Å; C112-C123 WeakPolarHBondContact SG-CB 3.44Å; C112-C123 CovalentContact SG-SG 2.04Å; C112-C123 PolarHBondContact SG-SG 3.1Å; Q116-C123 HydrophobicContact CB-CB 4.5Å; Q116-C123 VanDerWaalsContact OE1-CB 3.32Å; R117-C123 CarbonylContact O-C 3.33Å; R117-C123 WeakPolarHBondContact O-CA 3.01Å |
| 124 | W | 95.1 | Very high | 86.2 | Confident | 21 Ų | 21 | 76.2 Ų | 76.2 | 8% | 0.08 | 48% | 0.477 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 151.8 | -177.6 | -64.3 | 75.8 | 0 | 0 | 0 | 111.1 | Q88 L90 A99 V100 S101 Q116 R117 R119 Y120 A122 | Q88-W124 HydrophobicContact CB-CH2 4.13Å; Q88-W124 HydrophobicContact CB-CZ3 3.89Å; Q88-W124 HydrophobicContact CG-CH2 3.81Å; Q88-W124 HydrophobicContact CG-CZ3 4.1Å; L90-W124 HydrophobicContact CD1-CB 3.75Å; L90-W124 HydrophobicContact CD2-CB 4.21Å; L90-W124 HydrophobicContact CG-CB 4.22Å; A99-W124 HydrophobicContact CB-CB 4.42Å; A99-W124 HydrophobicContact CB-CE3 3.91Å; A99-W124 WeakPolarHBondContact O-CZ3 3.04Å; V100-W124 VanDerWaalsContact O-CA 3.27Å; V100-W124 WeakPolarHBondContact O-CA 3.4Å; S101-W124 VanDerWaalsContact N-CE3 3.28Å; Q116-W124 WeakPolarHBondContact CA-O 3.39Å; R117-W124 PolarHBondContact N-O 3.02Å; R117-W124 PolarHBondContact O-N 3.36Å; R119-W124 HydrophobicContact CB-CG 4.49Å; R119-W124 PolarHBondContact O-NE1 2.87Å; Y120-W124 HydrophobicContact CD2-CZ2 4.08Å; A122-W124 PolarHBondContact O-NE1 3.49Å |
| 125 | V | 93.6 | Very high | 86 | Confident | 41 Ų | 41 | 73 Ų | 73 | 25% | 0.248 | 46% | 0.455 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 152.1 | 169.5 | -67.4 | 0 | 0 | 0 | 0 | 110 | A99 V100 T102 Q116 Y127 | A99-V125 CarbonylContact C-O 3.57Å; A99-V125 WeakPolarHBondContact CA-O 3.02Å; A99-V125 VanDerWaalsContact CB-O 3.29Å; A99-V125 WeakPolarHBondContact CB-O 3.37Å; V100-V125 HydrophobicContact CG2-CG2 3.8Å; V100-V125 PolarHBondContact N-O 3.17Å; V100-V125 PolarHBondContact O-N 2.03Å; T102-V125 HydrophobicContact CG2-CG1 4.17Å; T102-V125 HydrophobicContact CG2-CG2 4.2Å; Q116-V125 HydrophobicContact CB-CG1 4.16Å; Q116-V125 HydrophobicContact CG-CG1 3.55Å; V125-Y127 PolarHBondContact O-N 3.26Å |
| 126 | P | 93.4 | Very high | 86 | Confident | 33 Ų | 33 | 72.9 Ų | 72.9 | 21% | 0.214 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -49.3 | 135.2 | 165.8 | -26.5 | 36.1 | 0 | 0 | 0 | 110.6 | F92 V97 E128 | F92-P126 HydrophobicContact CB-CG 4.27Å; F92-P126 HydrophobicContact CD2-CG 3.62Å; F92-P126 HydrophobicContact CE2-CG 4.1Å; F92-P126 HydrophobicContact CG-CG 3.91Å; V97-P126 HydrophobicContact CG2-CB 3.95Å; V97-P126 HydrophobicContact CG2-CG 4.3Å; P126-E128 PolarHBondContact O-N 2.9Å |
| 127 | Y | 91.7 | Very high | 85.6 | Confident | 121 Ų | 121 | 74.6 Ų | 74.6 | 48% | 0.475 | 45% | 0.45 | S | S | . | . | trans | -71.6 | 115.6 | 174.9 | 174.6 | -105.7 | 0 | 0 | 0 | 109.2 | A98 V100 V125 P129 | A98-Y127 WeakPolarHBondContact O-CB 3.17Å; A98-Y127 PolarHBondContact O-N 2.04Å; V100-Y127 HydrophobicContact CG1-CD2 3.65Å; V100-Y127 HydrophobicContact CG1-CG 4.34Å; V125-Y127 PolarHBondContact O-N 3.26Å; Y127-P129 HydrophobicContact CE1-CB 3.95Å | ||
| 128 | E | 83.7 | Confident | 85.3 | Confident | 165 Ų | 165 | 73.4 Ų | 73.4 | 77% | 0.771 | 46% | 0.457 | S | S | * | . | trans | -95.8 | 114.7 | 168.1 | -67.4 | -176.5 | -177.9 | 0 | 0 | 108.2 | P126 | P126-E128 PolarHBondContact O-N 2.9Š| ||
| 129 | P | 75.7 | Confident | 84.7 | Confident | 88 Ų | 88 | 77.5 Ų | 77.5 | 57% | 0.571 | 48% | 0.482 | S | S | * | . | trans | -60.8 | 141.7 | 171.3 | 24.8 | -30.6 | 0 | 0 | 0 | 108.9 | Y127 C131 | Y127-P129 HydrophobicContact CE1-CB 3.95Å; P129-C131 PolarHBondContact O-N 2.88Å; P129-C131 VanDerWaalsContact O-N 3.16Å | ||
| 130 | P | 73.9 | Confident | 84.2 | Confident | 108 Ų | 108 | 81.4 Ų | 81.4 | 70% | 0.701 | 51% | 0.511 | S | S | * | . | trans | -54.2 | 127.4 | 175.8 | 21.1 | -30.4 | 0 | 0 | 0 | 108.9 | G132 | P130-G132 PolarHBondContact O-N 3.08Š| ||
| 131 | C | 72.3 | Confident | 83.7 | Confident | 135 Ų | 135 | 76.8 Ų | 76.8 | 91% | 0.912 | 51% | 0.509 | S | S | * | . | trans | -56.7 | 112.1 | 173.8 | -56 | 0 | 0 | 0 | 0 | 107.7 | P129 | P129-C131 PolarHBondContact O-N 2.88Å; P129-C131 VanDerWaalsContact O-N 3.16Å | ||
| 132 | G | 45.7 | Very low | 83.1 | Confident | 148 Ų | 148 | 79.5 Ų | 79.5 | 100% | 1.526 | 51% | 0.511 | S | S | * | . | trans | -72.3 | 0 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | P130 | P130-G132 PolarHBondContact O-N 3.08Š|
Retrieved 132 of 132 residues in 101.8 ms
(Link to these results)