| 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 | 34.7 | Very low | 40.9 | Very low | 242 Ų | 242 | 138.5 Ų | 138.5 | 100% | 1.192 | 81% | 0.811 | S | S | * | * | 0 | 138.5 | 0 | -62.4 | -172.2 | -55.5 | 0 | 0 | 107.6 | |||||
| 2 | S | 39.1 | Very low | 41.7 | Very low | 106 Ų | 106 | 139 Ų | 139 | 74% | 0.741 | 81% | 0.807 | S | S | * | * | trans | -13.4 | 147.4 | 167.5 | -147.9 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 3 | V | 36.4 | Very low | 42 | Very low | 124 Ų | 124 | 136.8 Ų | 136.8 | 75% | 0.752 | 80% | 0.802 | S | S | * | * | -164.5 | 137.5 | 64.7 | 175.4 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 4 | S | 40.9 | Very low | 42.3 | Very low | 100 Ų | 100 | 137.6 Ų | 137.6 | 70% | 0.699 | 80% | 0.8 | S | S | * | * | trans | 9.8 | 137.1 | 148 | -42 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 5 | A | 38.2 | Very low | 42.5 | Very low | 106 Ų | 106 | 136.2 Ų | 136.2 | 88% | 0.876 | 79% | 0.794 | S | S | * | * | trans | -135.7 | 130.2 | 152.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 6 | L | 38.2 | Very low | 42.8 | Very low | 145 Ų | 145 | 137 Ų | 137 | 76% | 0.759 | 79% | 0.792 | S | S | * | * | trans | -76.7 | 149 | -170.7 | -87.7 | 85.8 | 0 | 0 | 0 | 114 | ||||
| 7 | F | 44.8 | Very low | 42.9 | Very low | 163 Ų | 163 | 134.9 Ų | 134.9 | 72% | 0.715 | 78% | 0.782 | S | S | * | * | trans | 27.9 | 134.5 | 142.1 | -70.7 | -87.9 | 0 | 0 | 0 | 120.8 | L9 | F7-L9 HydrophobicContact CD1-CD1 4.2Å; F7-L9 HydrophobicContact CE1-CD1 4.16Å | ||
| 8 | L | 37.8 | Very low | 43.3 | Very low | 176 Ų | 176 | 132.6 Ų | 132.6 | 92% | 0.921 | 78% | 0.781 | S | S | * | * | -151.6 | 103.8 | 122.2 | -93.3 | 171.3 | 0 | 0 | 0 | 109.3 | S10 | L8-S10 PolarHBondContact O-N 2.97Š| |||
| 9 | L | 45.2 | Very low | 43.9 | Very low | 147 Ų | 147 | 134.7 Ų | 134.7 | 77% | 0.77 | 78% | 0.783 | S | S | * | * | trans | -70.6 | 106.1 | 164.8 | -85 | 150.6 | 0 | 0 | 0 | 107.6 | F7 S11 | F7-L9 HydrophobicContact CD1-CD1 4.2Å; F7-L9 HydrophobicContact CE1-CD1 4.16Å; L9-S11 PolarHBondContact O-N 3.09Å; L9-S11 VanDerWaalsContact O-N 3.09Å | ||
| 10 | S | 45.1 | Very low | 44.6 | Very low | 103 Ų | 103 | 130.3 Ų | 130.3 | 72% | 0.72 | 77% | 0.768 | S | S | * | * | trans | -76.5 | 94.4 | 170.4 | 69.8 | 0 | 0 | 0 | 0 | 109.1 | L8 L12 | L8-S10 PolarHBondContact O-N 2.97Å; S10-L12 PolarHBondContact O-N 2.85Å | ||
| 11 | S | 49.7 | Very low | 46.3 | Very low | 111 Ų | 111 | 130.1 Ų | 130.1 | 78% | 0.776 | 76% | 0.759 | S | S | * | * | trans | -61.1 | 99.8 | 161.2 | -79.7 | 0 | 0 | 0 | 0 | 108.8 | L9 C13 | L9-S11 PolarHBondContact O-N 3.09Å; L9-S11 VanDerWaalsContact O-N 3.09Å; S11-C13 PolarHBondContact O-N 3.3Å | ||
| 12 | L | 50.5 | Low | 49 | Very low | 145 Ų | 145 | 123.9 Ų | 123.9 | 76% | 0.759 | 73% | 0.727 | S | S | * | * | trans | -67.1 | 92.6 | 157.2 | -98.9 | 86.9 | 0 | 0 | 0 | 107 | S10 L14 | S10-L12 PolarHBondContact O-N 2.85Å; L12-L14 PolarHBondContact O-N 2.88Å | ||
| 13 | C | 45.1 | Very low | 51.6 | Low | 111 Ų | 111 | 118.8 Ų | 118.8 | 75% | 0.75 | 69% | 0.692 | S | S | * | * | trans | -64.5 | 92.6 | 155.2 | -76.1 | 0 | 0 | 0 | 0 | 107 | S11 V15 | S11-C13 PolarHBondContact O-N 3.3Å; C13-V15 PolarHBondContact O-N 2.93Å | ||
| 14 | L | 46.3 | Very low | 54.3 | Low | 148 Ų | 148 | 116.9 Ų | 116.9 | 78% | 0.775 | 68% | 0.684 | S | S | * | * | trans | -60.5 | 94.7 | 157.4 | -86.5 | 155.9 | 0 | 0 | 0 | 106.1 | L12 I16 | L12-L14 PolarHBondContact O-N 2.88Å; L14-I16 PolarHBondContact O-N 2.8Å | ||
| 15 | V | 45.8 | Very low | 56.8 | Low | 116 Ų | 116 | 116 Ų | 116 | 70% | 0.703 | 67% | 0.668 | S | S | * | * | trans | -65.5 | 93 | 161.6 | -179.2 | 0 | 0 | 0 | 0 | 104.6 | C13 T17 | C13-V15 PolarHBondContact O-N 2.93Å; V15-T17 HydrophobicContact CG1-CG2 4.07Å; V15-T17 PolarHBondContact O-N 2.99Å | ||
| 16 | I | 47.3 | Very low | 59.4 | Low | 149 Ų | 149 | 111.7 Ų | 111.7 | 76% | 0.764 | 63% | 0.63 | S | S | * | * | trans | -65.7 | 91.1 | 162.5 | -55.7 | 174.2 | 0 | 0 | 0 | 103.6 | L14 A18 | L14-I16 PolarHBondContact O-N 2.8Å; I16-A18 VanDerWaalsContact C-N 3.26Å; I16-A18 PolarHBondContact O-N 2.82Å | ||
| 17 | T | 45.1 | Very low | 61.9 | Low | 102 Ų | 102 | 111 Ų | 111 | 63% | 0.626 | 63% | 0.632 | S | S | * | * | trans | -59 | 103.6 | 161.8 | 50.9 | 0 | 0 | 0 | 0 | 104.6 | V15 Q19 | V15-T17 HydrophobicContact CG1-CG2 4.07Å; V15-T17 PolarHBondContact O-N 2.99Å; T17-Q19 PolarHBondContact O-N 2.87Å | ||
| 18 | A | 49 | Very low | 63.8 | Low | 92 Ų | 92 | 104.5 Ų | 104.5 | 76% | 0.76 | 61% | 0.611 | S | S | * | * | trans | -58 | 97.8 | 163.6 | 0 | 0 | 0 | 0 | 0 | 105 | I16 G20 | I16-A18 VanDerWaalsContact C-N 3.26Å; I16-A18 PolarHBondContact O-N 2.82Å; A18-G20 PolarHBondContact O-N 2.88Å | ||
| 19 | Q | 55.2 | Low | 66.2 | Low | 173 Ų | 173 | 103.8 Ų | 103.8 | 81% | 0.808 | 60% | 0.596 | S | S | * | * | trans | -61.7 | 97.6 | 166.3 | -87.8 | 170.6 | -26.7 | 0 | 0 | 104.3 | T17 Q21 | T17-Q19 PolarHBondContact O-N 2.87Å; Q19-Q21 PolarHBondContact O-N 3.34Å | ||
| 20 | G | 58.1 | Low | 68.3 | Low | 47 Ų | 47 | 104.4 Ų | 104.4 | 49% | 0.485 | 60% | 0.595 | S | S | . | * | trans | -50.8 | 111.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 106.9 | A18 Q22 | A18-G20 PolarHBondContact O-N 2.88Å; G20-Q22 PolarHBondContact O-N 3.13Å | ||
| 21 | Q | 80.3 | Confident | 70.6 | Confident | 127 Ų | 127 | 101.3 Ų | 101.3 | 59% | 0.593 | 57% | 0.57 | S | S | * | * | trans | -64.6 | 109.9 | -176.6 | -81.7 | 169.7 | -37.7 | 0 | 0 | 107.2 | Q19 A71 G72 | Q19-Q21 PolarHBondContact O-N 3.34Å; Q21-A71 VanDerWaalsContact CB-C 3.46Å; Q21-A71 PolarHBondContact OE1-O 2.7Å; Q21-G72 WeakPolarHBondContact O-CA 3.37Å; Q21-G72 PolarHBondContact O-N 2.91Å | ||
| 22 | Q | 91.5 | Very high | 72.7 | Confident | 110 Ų | 110 | 96.7 Ų | 96.7 | 51% | 0.514 | 54% | 0.537 | S | S | . | . | P | Polyproline II helix | trans | -75.3 | 143.7 | 179.3 | -67.3 | -177.5 | -21.6 | 0 | 0 | 109.8 | G20 F44 | G20-Q22 PolarHBondContact O-N 3.13Å; Q22-F44 CarbonylContact C-O 3.52Å; Q22-F44 VanDerWaalsContact CA-O 3.27Å; Q22-F44 WeakPolarHBondContact CA-O 3.09Å; Q22-F44 WeakPolarHBondContact CB-O 3.37Å |
| 23 | C | 92.4 | Very high | 74.8 | Confident | 0 Ų | 0 | 93.8 Ų | 93.8 | 0% | 0 | 52% | 0.519 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 143.2 | 173 | -64.4 | 0 | 0 | 0 | 0 | 110.9 | T43 F44 C69 W74 | C23-T43 CarbonylContact O-C 3.45Å; C23-T43 WeakPolarHBondContact O-CA 3.43Å; C23-F44 HydrophobicContact CB-CB 4.48Å; C23-F44 PolarHBondContact N-O 3.04Å; C23-F44 PolarHBondContact O-N 3.48Å; C23-C69 HydrophobicContact CB-CB 3.85Å; C23-C69 WeakPolarHBondContact CB-SG 3.42Å; C23-C69 PolarHBondContact N-SG 2.84Å; C23-C69 WeakPolarHBondContact SG-CA 3.45Å; C23-C69 WeakPolarHBondContact SG-CB 3.34Å; C23-C69 CovalentContact SG-SG 2.03Å; C23-C69 PolarHBondContact SG-SG 3.35Å; C23-W74 HydrophobicContact CB-CD2 4.12Å; C23-W74 HydrophobicContact CB-CH2 4.32Å; C23-W74 HydrophobicContact CB-CZ2 3.51Å |
| 24 | S | 94.1 | Very high | 77.2 | Confident | 84 Ų | 84 | 89.1 Ų | 89.1 | 59% | 0.587 | 49% | 0.487 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 163.2 | 168.7 | 56.9 | 0 | 0 | 0 | 0 | 111.2 | P26 W74 | S24-P26 WeakPolarHBondContact O-CD 3.37Å; S24-P26 VanDerWaalsContact O-N 3.15Å; S24-W74 PolarHBondContact O-NE1 3.08Å |
| 25 | K | 94.2 | Very high | 79.4 | Confident | 82 Ų | 82 | 86 Ų | 86 | 36% | 0.357 | 47% | 0.467 | S | S | . | . | P | Polyproline II helix | trans | -54.3 | 119.2 | 175.5 | -173.9 | -176.5 | -179.8 | -179.6 | 0 | 111.1 | L34 I39 K41 K42 F44 | K25-L34 HydrophobicContact CG-CD2 4.12Å; K25-I39 PolarHBondContact NZ-O 2.98Å; K25-K41 WeakPolarHBondContact CD-O 3.27Å; K25-K42 PolarHBondContact N-O 2.9Å; K25-F44 HydrophobicContact CB-CE2 4.18Å; K25-F44 HydrophobicContact CG-CE2 4.39Å |
| 26 | P | 92.7 | Very high | 81.6 | Confident | 14 Ų | 14 | 86.1 Ų | 86.1 | 9% | 0.091 | 46% | 0.464 | C | S | . | . | P | Polyproline II helix | trans | -71.9 | 150 | 179.3 | 26.9 | -28.4 | 0 | 0 | 0 | 110.6 | S24 L34 V50 F52 I67 W74 | S24-P26 WeakPolarHBondContact O-CD 3.37Å; S24-P26 VanDerWaalsContact O-N 3.15Å; P26-L34 HydrophobicContact CG-CD1 4.24Å; P26-V50 HydrophobicContact CG-CG2 3.71Å; P26-F52 HydrophobicContact CB-CE2 4.29Å; P26-F52 HydrophobicContact CB-CZ 4.01Å; P26-F52 HydrophobicContact CG-CE2 4.27Å; P26-F52 HydrophobicContact CG-CZ 4.12Å; P26-I67 HydrophobicContact CB-CD1 3.75Å; P26-I67 HydrophobicContact CG-CD1 3.89Å; P26-W74 HydrophobicContact CB-CD2 4.37Å; P26-W74 HydrophobicContact CB-CG 4.25Å; P26-W74 HydrophobicContact CG-CD2 4.32Å; P26-W74 HydrophobicContact CG-CZ2 4.02Å |
| 27 | V | 89.2 | Confident | 83.8 | Confident | 131 Ų | 131 | 84.5 Ų | 84.5 | 79% | 0.794 | 45% | 0.453 | S | S | * | . | trans | -105.5 | 135.8 | 178.1 | -173.6 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 28 | G | 85.5 | Confident | 86 | Confident | 27 Ų | 27 | 81.5 Ų | 81.5 | 28% | 0.278 | 43% | 0.43 | S | S | . | . | trans | -72.1 | 176.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 29 | R | 87.6 | Confident | 87.7 | Confident | 161 Ų | 161 | 80.3 Ų | 80.3 | 61% | 0.608 | 41% | 0.411 | S | S | * | . | trans | -105.2 | -161.9 | 170.7 | -60.5 | -177 | -176.8 | 173.9 | 4.6 | 109.9 | M32 L77 | R29-M32 HydrophobicContact CB-CE 3.95Å; R29-M32 HydrophobicContact CB-SD 4Å; R29-M32 PolarHBondContact N-SD 3.21Å; R29-L77 VanDerWaalsContact CZ-O 3.31Å; R29-L77 PolarHBondContact NH1-O 3.35Å; R29-L77 PolarHBondContact NH2-O 2.8Å; R29-L77 VanDerWaalsContact NH2-O 3.17Å | ||
| 30 | Q | 89.7 | Confident | 89.4 | Confident | 160 Ų | 160 | 79.3 Ų | 79.3 | 75% | 0.748 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | 137.3 | 179.4 | -157.2 | 171.4 | 0.8 | 0 | 0 | 111.2 | M32 | Q30-M32 VanDerWaalsContact C-N 3.29Å; Q30-M32 PolarHBondContact O-N 3.09Å |
| 31 | N | 93.1 | Very high | 91.1 | Very high | 37 Ų | 37 | 82.2 Ų | 82.2 | 20% | 0.198 | 41% | 0.41 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 61.8 | 28.5 | 175.3 | -41.9 | -45.4 | 0 | 0 | 0 | 115 | C54 D55 Y58 C81 | N31-C54 WeakPolarHBondContact O-CA 3.34Å; N31-D55 WeakPolarHBondContact CA-OD2 3.05Å; N31-D55 PolarHBondContact O-N 2.89Å; N31-Y58 HydrophobicContact CB-CD1 3.39Å; N31-Y58 HydrophobicContact CB-CD2 3.98Å; N31-Y58 HydrophobicContact CB-CE1 3.54Å; N31-Y58 HydrophobicContact CB-CE2 4.11Å; N31-Y58 HydrophobicContact CB-CG 3.64Å; N31-Y58 WeakPolarHBondContact ND2-CE1 3.12Å; N31-Y58 WeakPolarHBondContact OD1-CE1 3.27Å; N31-Y58 VanDerWaalsContact OD1-CZ 3.25Å; N31-Y58 PolarHBondContact OD1-OH 3.05Å; N31-C81 HydrophobicContact CB-CB 4.1Å; N31-C81 VanDerWaalsContact O-CB 3.26Å; N31-C81 WeakPolarHBondContact O-CB 3.43Å |
| 32 | M | 94.4 | Very high | 91.7 | Very high | 14 Ų | 14 | 84.7 Ų | 84.7 | 7% | 0.069 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 151 | 175.7 | 71.2 | -174.6 | 65.8 | 0 | 0 | 112.1 | R29 Q30 F52 V53 D55 L77 L79 | R29-M32 HydrophobicContact CB-CE 3.95Å; R29-M32 HydrophobicContact CB-SD 4Å; R29-M32 PolarHBondContact N-SD 3.21Å; Q30-M32 VanDerWaalsContact C-N 3.29Å; Q30-M32 PolarHBondContact O-N 3.09Å; M32-F52 HydrophobicContact CG-CD1 4.3Å; M32-F52 HydrophobicContact SD-CB 4.47Å; M32-F52 HydrophobicContact SD-CD1 4.4Å; M32-V53 CarbonylContact C-O 3.54Å; M32-V53 VanDerWaalsContact CA-O 3.27Å; M32-V53 WeakPolarHBondContact CA-O 3.39Å; M32-V53 WeakPolarHBondContact CB-O 3.5Å; M32-D55 PolarHBondContact N-OD2 2.9Å; M32-L77 HydrophobicContact SD-CD2 3.64Å; M32-L77 HydrophobicContact SD-CG 4.39Å; M32-L79 HydrophobicContact CB-CD2 4.43Å; M32-L79 HydrophobicContact CE-CB 4.34Å; M32-L79 HydrophobicContact CE-CD2 4.41Å; M32-L79 HydrophobicContact CE-CG 4.27Å; M32-L79 VanDerWaalsContact CE-O 3.24Å; M32-L79 WeakPolarHBondContact CE-O 3.27Å; M32-L79 HydrophobicContact SD-CD2 4.28Å |
| 33 | Q | 94.5 | Very high | 91.7 | Very high | 84 Ų | 84 | 83.4 Ų | 83.4 | 39% | 0.393 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 152.5 | 178.3 | 59 | -176.8 | -5.4 | 0 | 0 | 111.2 | F52 V53 D55 | Q33-F52 WeakPolarHBondContact O-CA 3.45Å; Q33-V53 HydrophobicContact CG-CG2 3.88Å; Q33-V53 PolarHBondContact N-O 3.34Å; Q33-V53 PolarHBondContact O-N 3.23Å; Q33-D55 WeakPolarHBondContact CG-OD1 3.47Å; Q33-D55 PolarHBondContact N-OD1 2.91Å |
| 34 | L | 94.6 | Very high | 91.8 | Very high | 13 Ų | 13 | 83.9 Ų | 83.9 | 7% | 0.068 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 135.9 | 173 | -171.1 | 69.9 | 0 | 0 | 0 | 108.5 | K25 P26 D36 Y38 V50 F52 | K25-L34 HydrophobicContact CG-CD2 4.12Å; P26-L34 HydrophobicContact CG-CD1 4.24Å; L34-D36 PolarHBondContact O-N 2.91Å; L34-Y38 HydrophobicContact CD1-CD2 4.23Å; L34-Y38 HydrophobicContact CG-CD2 4.23Å; L34-Y38 HydrophobicContact CG-CG 4.48Å; L34-V50 HydrophobicContact CD1-CB 4.05Å; L34-V50 HydrophobicContact CD1-CG2 3.92Å; L34-F52 HydrophobicContact CB-CD1 4.37Å; L34-F52 HydrophobicContact CB-CE1 4Å; L34-F52 HydrophobicContact CD1-CD1 4.44Å; L34-F52 HydrophobicContact CD1-CD2 4.35Å; L34-F52 HydrophobicContact CD1-CE1 4.04Å; L34-F52 HydrophobicContact CD1-CE2 3.96Å; L34-F52 HydrophobicContact CD1-CZ 3.81Å |
| 35 | K | 93.9 | Very high | 91.8 | Very high | 83 Ų | 83 | 86.4 Ų | 86.4 | 36% | 0.361 | 42% | 0.423 | S | S | . | . | trans | -51.7 | 143.5 | 177.9 | -77.9 | -168.7 | -177 | 178.7 | 0 | 111.7 | E37 Y38 A51 V53 | K35-E37 HydrophobicContact CB-CG 4.02Å; K35-E37 PolarHBondContact O-N 2.88Å; K35-Y38 HydrophobicContact CB-CD2 3.91Å; K35-Y38 HydrophobicContact CB-CE2 4.01Å; K35-Y38 PolarHBondContact O-N 2.72Å; K35-A51 HydrophobicContact CD-CB 3.88Å; K35-A51 HydrophobicContact CG-CB 4.21Å; K35-A51 WeakPolarHBondContact CG-O 3.36Å; K35-A51 PolarHBondContact N-O 2.78Å; K35-V53 HydrophobicContact CD-CG1 4.18Å; K35-V53 HydrophobicContact CG-CG1 3.56Å; K35-V53 HydrophobicContact CG-CG2 4.3Å | ||
| 36 | D | 91.5 | Very high | 91.7 | Very high | 119 Ų | 119 | 86.7 Ų | 86.7 | 64% | 0.636 | 43% | 0.429 | S | S | * | . | G | 310 helix | trans | -52.1 | -35.3 | -174.3 | -61.2 | -17.9 | 0 | 0 | 0 | 113.5 | L34 Y38 I39 | L34-D36 PolarHBondContact O-N 2.91Å; D36-Y38 PolarHBondContact O-N 3.34Å; D36-Y38 VanDerWaalsContact O-N 3.08Å; D36-I39 HydrophobicContact CB-CD1 4.36Å; D36-I39 PolarHBondContact O-N 2.72Å; D36-I39 VanDerWaalsContact O-N 3.13Å; D36-I39 WeakPolarHBondContact OD1-CD1 3.34Å |
| 37 | E | 92.9 | Very high | 91.7 | Very high | 115 Ų | 115 | 87.2 Ų | 87.2 | 54% | 0.537 | 44% | 0.437 | S | S | . | . | G | 310 helix | trans | -59.1 | -19.2 | 177.7 | 66.8 | -170.2 | 175.8 | 0 | 0 | 114.6 | K35 | K35-E37 HydrophobicContact CB-CG 4.02Å; K35-E37 PolarHBondContact O-N 2.88Å |
| 38 | Y | 91.6 | Very high | 91.9 | Very high | 39 Ų | 39 | 82.8 Ų | 82.8 | 15% | 0.153 | 41% | 0.411 | C | S | . | . | G | 310 helix | trans | -111 | -5.6 | 179.3 | -48.6 | -64 | 0 | 0 | 0 | 113.6 | L34 K35 D36 N40 K41 F44 V50 | L34-Y38 HydrophobicContact CD1-CD2 4.23Å; L34-Y38 HydrophobicContact CG-CD2 4.23Å; L34-Y38 HydrophobicContact CG-CG 4.48Å; K35-Y38 HydrophobicContact CB-CD2 3.91Å; K35-Y38 HydrophobicContact CB-CE2 4.01Å; K35-Y38 PolarHBondContact O-N 2.72Å; D36-Y38 PolarHBondContact O-N 3.34Å; D36-Y38 VanDerWaalsContact O-N 3.08Å; Y38-N40 VanDerWaalsContact C-N 3.26Å; Y38-N40 PolarHBondContact O-N 3.03Å; Y38-K41 HydrophobicContact CD1-CD 4.46Å; Y38-K41 PolarHBondContact O-N 2.85Å; Y38-K41 VanDerWaalsContact O-N 3.09Å; Y38-F44 AromaticContact CD1-CE1 3.92Å; Y38-F44 HydrophobicContact CD1-CE1 3.92Å; Y38-F44 HydrophobicContact CG-CE1 4.35Å; Y38-V50 HydrophobicContact CD1-CB 4.47Å; Y38-V50 HydrophobicContact CD1-CG1 3.89Å; Y38-V50 HydrophobicContact CD2-CB 3.97Å; Y38-V50 HydrophobicContact CD2-CG1 4.25Å; Y38-V50 HydrophobicContact CE1-CG1 4.08Å; Y38-V50 HydrophobicContact CE2-CB 4.05Å; Y38-V50 HydrophobicContact CE2-CG1 4.45Å; Y38-V50 HydrophobicContact CG-CB 4.21Å; Y38-V50 HydrophobicContact CG-CG1 3.99Å |
| 39 | I | 85.7 | Confident | 92.4 | Very high | 67 Ų | 67 | 85 Ų | 85 | 34% | 0.344 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -36 | -171.9 | -73.6 | -179.9 | 0 | 0 | 0 | 112.2 | K25 D36 | K25-I39 PolarHBondContact NZ-O 2.98Å; D36-I39 HydrophobicContact CB-CD1 4.36Å; D36-I39 PolarHBondContact O-N 2.72Å; D36-I39 VanDerWaalsContact O-N 3.13Å; D36-I39 WeakPolarHBondContact OD1-CD1 3.34Å |
| 40 | N | 90.9 | Very high | 92.7 | Very high | 152 Ų | 152 | 77.3 Ų | 77.3 | 81% | 0.813 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88 | -6.7 | -177.4 | -63.5 | -35.7 | 0 | 0 | 0 | 113.7 | Y38 | Y38-N40 VanDerWaalsContact C-N 3.26Å; Y38-N40 PolarHBondContact O-N 3.03Å |
| 41 | K | 92.5 | Very high | 93 | Very high | 107 Ų | 107 | 70.1 Ų | 70.1 | 47% | 0.465 | 36% | 0.358 | S | S | . | . | trans | -83.8 | 133.5 | 179.5 | -65 | -173.3 | -178 | -177.7 | 0 | 110.5 | K25 Y38 F44 | K25-K41 WeakPolarHBondContact CD-O 3.27Å; Y38-K41 HydrophobicContact CD1-CD 4.46Å; Y38-K41 PolarHBondContact O-N 2.85Å; Y38-K41 VanDerWaalsContact O-N 3.09Å; K41-F44 HydrophobicContact CB-CE1 4.01Å; K41-F44 HydrophobicContact CB-CE2 4.06Å; K41-F44 HydrophobicContact CB-CZ 3.54Å; K41-F44 HydrophobicContact CD-CE1 3.83Å; K41-F44 HydrophobicContact CD-CZ 4.24Å; K41-F44 HydrophobicContact CG-CZ 4.5Å | ||
| 42 | K | 92.4 | Very high | 93.1 | Very high | 179 Ų | 179 | 68.6 Ų | 68.6 | 78% | 0.778 | 35% | 0.35 | S | S | * | . | trans | -97.4 | -30.9 | 178.5 | -65.4 | -174 | 179.3 | -178.8 | 0 | 113 | K25 | K25-K42 PolarHBondContact N-O 2.9Š| ||
| 43 | T | 93.1 | Very high | 93.1 | Very high | 83 Ų | 83 | 70.3 Ų | 70.3 | 51% | 0.509 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 154.5 | -177.6 | 53.6 | 0 | 0 | 0 | 0 | 111.1 | C23 | C23-T43 CarbonylContact O-C 3.45Å; C23-T43 WeakPolarHBondContact O-CA 3.43Å |
| 44 | F | 93.9 | Very high | 93.1 | Very high | 11 Ų | 11 | 67.4 Ų | 67.4 | 5% | 0.048 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 135.4 | -175.1 | -62.8 | -97.4 | 0 | 0 | 0 | 109.9 | Q22 C23 K25 Y38 K41 V50 W74 | Q22-F44 CarbonylContact C-O 3.52Å; Q22-F44 VanDerWaalsContact CA-O 3.27Å; Q22-F44 WeakPolarHBondContact CA-O 3.09Å; Q22-F44 WeakPolarHBondContact CB-O 3.37Å; C23-F44 HydrophobicContact CB-CB 4.48Å; C23-F44 PolarHBondContact N-O 3.04Å; C23-F44 PolarHBondContact O-N 3.48Å; K25-F44 HydrophobicContact CB-CE2 4.18Å; K25-F44 HydrophobicContact CG-CE2 4.39Å; Y38-F44 AromaticContact CD1-CE1 3.92Å; Y38-F44 HydrophobicContact CD1-CE1 3.92Å; Y38-F44 HydrophobicContact CG-CE1 4.35Å; K41-F44 HydrophobicContact CB-CE1 4.01Å; K41-F44 HydrophobicContact CB-CE2 4.06Å; K41-F44 HydrophobicContact CB-CZ 3.54Å; K41-F44 HydrophobicContact CD-CE1 3.83Å; K41-F44 HydrophobicContact CD-CZ 4.24Å; K41-F44 HydrophobicContact CG-CZ 4.5Å; F44-V50 HydrophobicContact CD1-CG1 3.6Å; F44-V50 HydrophobicContact CE1-CG1 3.33Å; F44-V50 HydrophobicContact CG-CG1 4.46Å; F44-V50 HydrophobicContact CZ-CG1 4.05Å; F44-W74 HydrophobicContact CB-CH2 3.8Å; F44-W74 HydrophobicContact CB-CZ2 3.77Å; F44-W74 HydrophobicContact CD1-CH2 4.19Å; F44-W74 HydrophobicContact CD1-CZ2 4.43Å; F44-W74 HydrophobicContact CD2-CH2 4.33Å; F44-W74 AromaticContact CD2-CZ2 3.76Å; F44-W74 HydrophobicContact CD2-CZ2 3.76Å; F44-W74 AromaticContact CG-CH2 3.84Å; F44-W74 HydrophobicContact CG-CH2 3.84Å; F44-W74 AromaticContact CG-CZ2 3.72Å; F44-W74 HydrophobicContact CG-CZ2 3.72Å |
| 45 | E | 94 | Very high | 93.1 | Very high | 136 Ų | 136 | 69.1 Ų | 69.1 | 64% | 0.636 | 36% | 0.359 | S | S | * | . | trans | -70.6 | 154.9 | 179.1 | -65 | -177.8 | 174.8 | 0 | 0 | 111.6 | G47 S48 | E45-G47 PolarHBondContact O-N 2.86Å; E45-S48 PolarHBondContact N-OG 3.49Å; E45-S48 WeakPolarHBondContact O-CB 3.01Å; E45-S48 PolarHBondContact O-N 3.04Å; E45-S48 PolarHBondContact O-OG 2.03Å | ||
| 46 | D | 92.9 | Very high | 93 | Very high | 89 Ų | 89 | 70.3 Ų | 70.3 | 48% | 0.476 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | 139.5 | 175.1 | -175.2 | 50.2 | 0 | 0 | 0 | 111.3 | S48 N70 A71 | D46-S48 PolarHBondContact O-N 2.96Å; D46-N70 WeakPolarHBondContact OD1-CA 3.41Å; D46-A71 PolarHBondContact OD1-N 3.4Å |
| 47 | G | 91.8 | Very high | 93.1 | Very high | 25 Ų | 25 | 65 Ų | 65 | 26% | 0.258 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.2 | -9.4 | -174.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | E45 R68 C69 | E45-G47 PolarHBondContact O-N 2.86Å; G47-R68 PolarHBondContact O-NE 2.88Å; G47-C69 WeakPolarHBondContact CA-O 3.03Å; G47-C69 PolarHBondContact N-O 3.33Å |
| 48 | S | 94.1 | Very high | 93.2 | Very high | 38 Ų | 38 | 62.4 Ų | 62.4 | 27% | 0.266 | 33% | 0.332 | S | S | . | . | trans | -60.9 | 143.8 | 175.2 | -62.7 | 0 | 0 | 0 | 0 | 111.7 | E45 D46 R68 C69 | E45-S48 PolarHBondContact N-OG 3.49Å; E45-S48 WeakPolarHBondContact O-CB 3.01Å; E45-S48 PolarHBondContact O-N 3.04Å; E45-S48 PolarHBondContact O-OG 2.03Å; D46-S48 PolarHBondContact O-N 2.96Å; S48-R68 WeakPolarHBondContact O-CA 3.48Å; S48-C69 PolarHBondContact O-N 2.91Å | ||
| 49 | T | 94.9 | Very high | 93.2 | Very high | 72 Ų | 72 | 63.5 Ų | 63.5 | 44% | 0.442 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 145.8 | 170.2 | 55 | 0 | 0 | 0 | 0 | 110.6 | V66 I67 R68 | T49-V66 HydrophobicContact CG2-CG1 4.36Å; T49-I67 VanDerWaalsContact CA-O 3.27Å; T49-I67 WeakPolarHBondContact CA-O 3.35Å; T49-R68 HydrophobicContact CG2-CB 4.06Å; T49-R68 HydrophobicContact CG2-CG 3.95Å |
| 50 | V | 95 | Very high | 93.6 | Very high | 1 Ų | 1 | 64.3 Ų | 64.3 | 1% | 0.006 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 156.2 | 169.8 | -57.9 | 0 | 0 | 0 | 0 | 109.6 | P26 L34 Y38 F44 V66 I67 W74 | P26-V50 HydrophobicContact CG-CG2 3.71Å; L34-V50 HydrophobicContact CD1-CB 4.05Å; L34-V50 HydrophobicContact CD1-CG2 3.92Å; Y38-V50 HydrophobicContact CD1-CB 4.47Å; Y38-V50 HydrophobicContact CD1-CG1 3.89Å; Y38-V50 HydrophobicContact CD2-CB 3.97Å; Y38-V50 HydrophobicContact CD2-CG1 4.25Å; Y38-V50 HydrophobicContact CE1-CG1 4.08Å; Y38-V50 HydrophobicContact CE2-CB 4.05Å; Y38-V50 HydrophobicContact CE2-CG1 4.45Å; Y38-V50 HydrophobicContact CG-CB 4.21Å; Y38-V50 HydrophobicContact CG-CG1 3.99Å; F44-V50 HydrophobicContact CD1-CG1 3.6Å; F44-V50 HydrophobicContact CE1-CG1 3.33Å; F44-V50 HydrophobicContact CG-CG1 4.46Å; F44-V50 HydrophobicContact CZ-CG1 4.05Å; V50-V66 WeakPolarHBondContact O-CA 3.43Å; V50-I67 HydrophobicContact CG2-CD1 3.9Å; V50-I67 HydrophobicContact CG2-CG1 3.5Å; V50-I67 PolarHBondContact N-O 3.49Å; V50-I67 PolarHBondContact O-N 2.74Å; V50-W74 HydrophobicContact CG1-CH2 3.83Å; V50-W74 HydrophobicContact CG1-CZ3 4.35Å; V50-W74 HydrophobicContact CG2-CE3 4.42Å; V50-W74 HydrophobicContact CG2-CH2 3.94Å; V50-W74 HydrophobicContact CG2-CZ2 4.48Å; V50-W74 HydrophobicContact CG2-CZ3 3.89Å |
| 51 | A | 94.9 | Very high | 93.5 | Very high | 8 Ų | 8 | 61 Ų | 61 | 7% | 0.066 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 138.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | K35 G65 V66 | K35-A51 HydrophobicContact CD-CB 3.88Å; K35-A51 HydrophobicContact CG-CB 4.21Å; K35-A51 WeakPolarHBondContact CG-O 3.36Å; K35-A51 PolarHBondContact N-O 2.78Å; A51-G65 WeakPolarHBondContact CA-O 3.4Å; A51-V66 HydrophobicContact CB-CG2 4.12Å |
| 52 | F | 94.9 | Very high | 93.2 | Very high | 5 Ų | 5 | 60.8 Ų | 60.8 | 2% | 0.022 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 149.4 | 165 | -73 | -90.7 | 0 | 0 | 0 | 110.3 | P26 M32 Q33 L34 G65 I67 L77 L79 | P26-F52 HydrophobicContact CB-CE2 4.29Å; P26-F52 HydrophobicContact CB-CZ 4.01Å; P26-F52 HydrophobicContact CG-CE2 4.27Å; P26-F52 HydrophobicContact CG-CZ 4.12Å; M32-F52 HydrophobicContact CG-CD1 4.3Å; M32-F52 HydrophobicContact SD-CB 4.47Å; M32-F52 HydrophobicContact SD-CD1 4.4Å; Q33-F52 WeakPolarHBondContact O-CA 3.45Å; L34-F52 HydrophobicContact CB-CD1 4.37Å; L34-F52 HydrophobicContact CB-CE1 4Å; L34-F52 HydrophobicContact CD1-CD1 4.44Å; L34-F52 HydrophobicContact CD1-CD2 4.35Å; L34-F52 HydrophobicContact CD1-CE1 4.04Å; L34-F52 HydrophobicContact CD1-CE2 3.96Å; L34-F52 HydrophobicContact CD1-CZ 3.81Å; F52-G65 PolarHBondContact N-O 2.87Å; F52-I67 HydrophobicContact CD2-CD1 4.49Å; F52-I67 HydrophobicContact CE2-CD1 3.69Å; F52-I67 HydrophobicContact CE2-CG1 4.21Å; F52-L77 HydrophobicContact CB-CD1 4.37Å; F52-L77 HydrophobicContact CD1-CD2 4.38Å; F52-L77 HydrophobicContact CD2-CD1 3.65Å; F52-L77 HydrophobicContact CD2-CD2 3.79Å; F52-L77 HydrophobicContact CD2-CG 4.38Å; F52-L77 HydrophobicContact CE1-CD2 4.48Å; F52-L77 HydrophobicContact CE2-CD1 4.29Å; F52-L77 HydrophobicContact CE2-CD2 3.88Å; F52-L77 HydrophobicContact CG-CD1 4.18Å; F52-L77 HydrophobicContact CG-CD2 4.05Å; F52-L77 HydrophobicContact CZ-CD2 4.22Å; F52-L79 HydrophobicContact CB-CD2 3.77Å |
| 53 | V | 94.3 | Very high | 93 | Very high | 50 Ų | 50 | 56.1 Ų | 56.1 | 30% | 0.303 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 148.6 | 171.7 | -69.1 | 0 | 0 | 0 | 0 | 108.9 | M32 Q33 K35 | M32-V53 CarbonylContact C-O 3.54Å; M32-V53 VanDerWaalsContact CA-O 3.27Å; M32-V53 WeakPolarHBondContact CA-O 3.39Å; M32-V53 WeakPolarHBondContact CB-O 3.5Å; Q33-V53 HydrophobicContact CG-CG2 3.88Å; Q33-V53 PolarHBondContact N-O 3.34Å; Q33-V53 PolarHBondContact O-N 3.23Å; K35-V53 HydrophobicContact CD-CG1 4.18Å; K35-V53 HydrophobicContact CG-CG1 3.56Å; K35-V53 HydrophobicContact CG-CG2 4.3Å |
| 54 | C | 94.7 | Very high | 92.7 | Very high | 23 Ų | 23 | 56.2 Ų | 56.2 | 16% | 0.155 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 149.4 | 175.2 | -60 | 0 | 0 | 0 | 0 | 111 | N31 Y58 T59 P60 C81 | N31-C54 WeakPolarHBondContact O-CA 3.34Å; C54-Y58 WeakPolarHBondContact CB-O 3.3Å; C54-T59 VanDerWaalsContact SG-C 3.59Å; C54-P60 VanDerWaalsContact SG-N 3.43Å; C54-C81 WeakPolarHBondContact CA-SG 3.45Å; C54-C81 HydrophobicContact CB-CB 3.72Å; C54-C81 WeakPolarHBondContact CB-SG 3.5Å; C54-C81 WeakPolarHBondContact SG-CB 3.44Å; C54-C81 CovalentContact SG-SG 2.04Å; C54-C81 PolarHBondContact SG-SG 2.85Å |
| 55 | D | 94.6 | Very high | 92.5 | Very high | 50 Ų | 50 | 55.7 Ų | 55.7 | 27% | 0.267 | 32% | 0.324 | S | S | . | . | P | Polyproline II helix | trans | -65.4 | 162 | 174.9 | -68.1 | -20.1 | 0 | 0 | 0 | 110.8 | N31 M32 Q33 G57 Y58 | N31-D55 WeakPolarHBondContact CA-OD2 3.05Å; N31-D55 PolarHBondContact O-N 2.89Å; M32-D55 PolarHBondContact N-OD2 2.9Å; Q33-D55 WeakPolarHBondContact CG-OD1 3.47Å; Q33-D55 PolarHBondContact N-OD1 2.91Å; D55-G57 PolarHBondContact O-N 2.88Å; D55-Y58 HydrophobicContact CB-CD2 4.13Å; D55-Y58 WeakPolarHBondContact O-CB 3.38Å; D55-Y58 PolarHBondContact O-N 3.01Å |
| 56 | V | 93 | Very high | 92.6 | Very high | 108 Ų | 108 | 52.4 Ų | 52.4 | 66% | 0.655 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | 125.5 | 179.4 | 177.4 | 0 | 0 | 0 | 0 | 110.4 | T129 | V56-T129 HydrophobicContact CG1-CG2 3.31Š|
| 57 | G | 93.7 | Very high | 92.7 | Very high | 6 Ų | 6 | 48.4 Ų | 48.4 | 6% | 0.062 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 90.8 | 1.3 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | D55 S84 F105 | D55-G57 PolarHBondContact O-N 2.88Å; G57-S84 WeakPolarHBondContact O-CB 3.39Å; G57-S84 PolarHBondContact O-N 2.86Å; G57-S84 PolarHBondContact O-OG 3.34Å; G57-F105 WeakPolarHBondContact O-CB 3.42Å |
| 58 | Y | 94.5 | Very high | 92.8 | Very high | 61 Ų | 61 | 53.5 Ų | 53.5 | 24% | 0.239 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 148.2 | 175.8 | -63.9 | -101.6 | 0 | 0 | 0 | 112 | N31 C54 D55 E82 R83 | N31-Y58 HydrophobicContact CB-CD1 3.39Å; N31-Y58 HydrophobicContact CB-CD2 3.98Å; N31-Y58 HydrophobicContact CB-CE1 3.54Å; N31-Y58 HydrophobicContact CB-CE2 4.11Å; N31-Y58 HydrophobicContact CB-CG 3.64Å; N31-Y58 WeakPolarHBondContact ND2-CE1 3.12Å; N31-Y58 WeakPolarHBondContact OD1-CE1 3.27Å; N31-Y58 VanDerWaalsContact OD1-CZ 3.25Å; N31-Y58 PolarHBondContact OD1-OH 3.05Å; C54-Y58 WeakPolarHBondContact CB-O 3.3Å; D55-Y58 HydrophobicContact CB-CD2 4.13Å; D55-Y58 WeakPolarHBondContact O-CB 3.38Å; D55-Y58 PolarHBondContact O-N 3.01Å; Y58-E82 CarbonylContact C-O 3.45Å; Y58-E82 WeakPolarHBondContact CA-O 3.38Å; Y58-E82 WeakPolarHBondContact CB-O 3.46Å; Y58-E82 VanDerWaalsContact CD1-C 3.42Å; Y58-R83 HydrophobicContact CD1-CG 4.17Å; Y58-R83 HydrophobicContact CE1-CB 4.47Å; Y58-R83 HydrophobicContact CE1-CG 3.57Å |
| 59 | T | 92.2 | Very high | 92.9 | Very high | 63 Ų | 63 | 51.7 Ų | 51.7 | 39% | 0.387 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 145.4 | -179.9 | 48.3 | 0 | 0 | 0 | 0 | 111.4 | C54 V61 E82 | C54-T59 VanDerWaalsContact SG-C 3.59Å; T59-V61 PolarHBondContact O-N 3.21Å; T59-E82 PolarHBondContact N-O 3.3Å; T59-E82 PolarHBondContact O-N 3.5Å; T59-E82 VanDerWaalsContact O-N 3.09Å |
| 60 | P | 92.9 | Very high | 92.8 | Very high | 83 Ų | 83 | 52.2 Ų | 52.2 | 54% | 0.539 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 124.8 | 178.4 | 29.9 | -34.4 | 0 | 0 | 0 | 110.3 | C54 L79 | C54-P60 VanDerWaalsContact SG-N 3.43Å; P60-L79 HydrophobicContact CB-CD1 3.74Å |
| 61 | V | 89.6 | Confident | 92.6 | Very high | 84 Ų | 84 | 54.7 Ų | 54.7 | 51% | 0.509 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | -26.9 | 177.5 | -175.7 | 0 | 0 | 0 | 0 | 111.2 | T59 I80 E82 | T59-V61 PolarHBondContact O-N 3.21Å; V61-I80 PolarHBondContact N-O 2.93Å; V61-E82 HydrophobicContact CG2-CB 3.67Å; V61-E82 HydrophobicContact CG2-CG 3.6Å |
| 62 | Q | 86.8 | Confident | 92.4 | Very high | 102 Ų | 102 | 55.7 Ų | 55.7 | 48% | 0.477 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 141.7 | -178.8 | -173.6 | 174.2 | 5.6 | 0 | 0 | 111.2 | L79 I80 | Q62-L79 WeakPolarHBondContact O-CA 3.44Å; Q62-L79 WeakPolarHBondContact O-CD1 3.05Å; Q62-I80 PolarHBondContact O-N 2.82Å |
| 63 | D | 88.1 | Confident | 92.3 | Very high | 81 Ų | 81 | 61.5 Ų | 61.5 | 43% | 0.433 | 35% | 0.352 | S | S | . | . | S | Bend | trans | 64.4 | 162 | 178.5 | -154.4 | -68.9 | 0 | 0 | 0 | 114.5 | G65 Q78 | D63-G65 VanDerWaalsContact C-N 3.33Å; D63-G65 PolarHBondContact OD1-N 3.21Å; D63-Q78 HydrophobicContact CB-CB 4.32Å |
| 64 | S | 85.1 | Confident | 92.3 | Very high | 84 Ų | 84 | 61.2 Ų | 61.2 | 59% | 0.587 | 35% | 0.345 | S | S | * | . | trans | -79.9 | -13.6 | 172.6 | 64.9 | 0 | 0 | 0 | 0 | 113.5 | V66 | S64-V66 VanDerWaalsContact C-N 3.29Å; S64-V66 PolarHBondContact O-N 2.91Å; S64-V66 WeakPolarHBondContact OG-CG2 3.45Å | ||
| 65 | G | 91.3 | Very high | 92.3 | Very high | 1 Ų | 1 | 61.8 Ų | 61.8 | 1% | 0.01 | 35% | 0.349 | C | S | . | . | trans | 73.4 | 20.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | A51 F52 D63 | A51-G65 WeakPolarHBondContact CA-O 3.4Å; F52-G65 PolarHBondContact N-O 2.87Å; D63-G65 VanDerWaalsContact C-N 3.33Å; D63-G65 PolarHBondContact OD1-N 3.21Å | ||
| 66 | V | 94.8 | Very high | 92.2 | Very high | 67 Ų | 67 | 64.4 Ų | 64.4 | 41% | 0.406 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 124.7 | 176.2 | -178.7 | 0 | 0 | 0 | 0 | 109.5 | T49 V50 A51 S64 | T49-V66 HydrophobicContact CG2-CG1 4.36Å; V50-V66 WeakPolarHBondContact O-CA 3.43Å; A51-V66 HydrophobicContact CB-CG2 4.12Å; S64-V66 VanDerWaalsContact C-N 3.29Å; S64-V66 PolarHBondContact O-N 2.91Å; S64-V66 WeakPolarHBondContact OG-CG2 3.45Å |
| 67 | I | 94.8 | Very high | 92.2 | Very high | 5 Ų | 5 | 60 Ų | 60 | 3% | 0.026 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 150.9 | 174 | 59.8 | 169.8 | 0 | 0 | 0 | 110.6 | P26 T49 V50 F52 W74 S75 L77 | P26-I67 HydrophobicContact CB-CD1 3.75Å; P26-I67 HydrophobicContact CG-CD1 3.89Å; T49-I67 VanDerWaalsContact CA-O 3.27Å; T49-I67 WeakPolarHBondContact CA-O 3.35Å; V50-I67 HydrophobicContact CG2-CD1 3.9Å; V50-I67 HydrophobicContact CG2-CG1 3.5Å; V50-I67 PolarHBondContact N-O 3.49Å; V50-I67 PolarHBondContact O-N 2.74Å; F52-I67 HydrophobicContact CD2-CD1 4.49Å; F52-I67 HydrophobicContact CE2-CD1 3.69Å; F52-I67 HydrophobicContact CE2-CG1 4.21Å; I67-W74 HydrophobicContact CB-CE3 4.29Å; I67-W74 HydrophobicContact CD1-CB 4.01Å; I67-W74 HydrophobicContact CD1-CD2 3.79Å; I67-W74 HydrophobicContact CD1-CE3 3.73Å; I67-W74 HydrophobicContact CD1-CG 3.91Å; I67-W74 HydrophobicContact CG1-CD2 4.34Å; I67-W74 HydrophobicContact CG1-CE3 3.76Å; I67-W74 HydrophobicContact CG1-CZ3 4.26Å; I67-S75 VanDerWaalsContact CA-OG 3.3Å; I67-S75 WeakPolarHBondContact CA-OG 3.27Å; I67-S75 WeakPolarHBondContact CB-OG 3.32Å; I67-S75 WeakPolarHBondContact CG2-O 3.15Å; I67-L77 HydrophobicContact CG2-CB 3.97Å; I67-L77 HydrophobicContact CG2-CD1 3.85Å |
| 68 | R | 95.4 | Very high | 92 | Very high | 132 Ų | 132 | 65 Ų | 65 | 50% | 0.498 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 136.2 | -177.5 | -170.1 | 172.2 | -173.8 | 162 | 0.8 | 111.1 | G47 S48 T49 S75 | G47-R68 PolarHBondContact O-NE 2.88Å; S48-R68 WeakPolarHBondContact O-CA 3.48Å; T49-R68 HydrophobicContact CG2-CB 4.06Å; T49-R68 HydrophobicContact CG2-CG 3.95Å; R68-S75 PolarHBondContact N-OG 3.45Å; R68-S75 PolarHBondContact O-N 2.89Å |
| 69 | C | 95.4 | Very high | 92 | Very high | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 123.3 | 171.2 | -178.2 | 0 | 0 | 0 | 0 | 108.8 | C23 G47 S48 W74 | C23-C69 HydrophobicContact CB-CB 3.85Å; C23-C69 WeakPolarHBondContact CB-SG 3.42Å; C23-C69 PolarHBondContact N-SG 2.84Å; C23-C69 WeakPolarHBondContact SG-CA 3.45Å; C23-C69 WeakPolarHBondContact SG-CB 3.34Å; C23-C69 CovalentContact SG-SG 2.03Å; C23-C69 PolarHBondContact SG-SG 3.35Å; G47-C69 WeakPolarHBondContact CA-O 3.03Å; G47-C69 PolarHBondContact N-O 3.33Å; S48-C69 PolarHBondContact O-N 2.91Å; C69-W74 HydrophobicContact CB-CD2 4.47Å; C69-W74 HydrophobicContact CB-CE3 3.99Å; C69-W74 HydrophobicContact CB-CH2 3.84Å; C69-W74 HydrophobicContact CB-CZ2 4.35Å; C69-W74 HydrophobicContact CB-CZ3 3.65Å; C69-W74 VanDerWaalsContact N-CE3 3.3Å |
| 70 | N | 93.9 | Very high | 92 | Very high | 82 Ų | 82 | 63 Ų | 63 | 44% | 0.439 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 109.3 | 173.7 | -60.5 | -62.9 | 0 | 0 | 0 | 108.6 | D46 G72 I73 | D46-N70 WeakPolarHBondContact OD1-CA 3.41Å; N70-G72 VanDerWaalsContact C-N 3.35Å; N70-G72 PolarHBondContact O-N 3.49Å; N70-I73 PolarHBondContact N-O 2.79Å; N70-I73 PolarHBondContact O-N 3.29Å |
| 71 | A | 90.8 | Very high | 92.1 | Very high | 53 Ų | 53 | 59.5 Ų | 59.5 | 44% | 0.438 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 46.1 | 53.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113 | Q21 D46 I73 | Q21-A71 VanDerWaalsContact CB-C 3.46Å; Q21-A71 PolarHBondContact OE1-O 2.7Å; D46-A71 PolarHBondContact OD1-N 3.4Å; A71-I73 VanDerWaalsContact C-N 3.28Å; A71-I73 PolarHBondContact O-N 3.27Å |
| 72 | G | 89.7 | Confident | 92.3 | Very high | 30 Ų | 30 | 60.1 Ų | 60.1 | 31% | 0.309 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.6 | -2.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | Q21 N70 | Q21-G72 WeakPolarHBondContact O-CA 3.37Å; Q21-G72 PolarHBondContact O-N 2.91Å; N70-G72 VanDerWaalsContact C-N 3.35Å; N70-G72 PolarHBondContact O-N 3.49Å |
| 73 | I | 93.4 | Very high | 92.7 | Very high | 126 Ų | 126 | 59.2 Ų | 59.2 | 65% | 0.646 | 32% | 0.321 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118 | 131.3 | 179.8 | -56.8 | 175.3 | 0 | 0 | 0 | 110 | N70 A71 | N70-I73 PolarHBondContact N-O 2.79Å; N70-I73 PolarHBondContact O-N 3.29Å; A71-I73 VanDerWaalsContact C-N 3.28Å; A71-I73 PolarHBondContact O-N 3.27Å |
| 74 | W | 94.8 | Very high | 93 | Very high | 44 Ų | 44 | 56.2 Ų | 56.2 | 17% | 0.167 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 139.4 | 172.5 | -71.8 | 110.1 | 0 | 0 | 0 | 111.6 | C23 S24 P26 F44 V50 I67 C69 | C23-W74 HydrophobicContact CB-CD2 4.12Å; C23-W74 HydrophobicContact CB-CH2 4.32Å; C23-W74 HydrophobicContact CB-CZ2 3.51Å; S24-W74 PolarHBondContact O-NE1 3.08Å; P26-W74 HydrophobicContact CB-CD2 4.37Å; P26-W74 HydrophobicContact CB-CG 4.25Å; P26-W74 HydrophobicContact CG-CD2 4.32Å; P26-W74 HydrophobicContact CG-CZ2 4.02Å; F44-W74 HydrophobicContact CB-CH2 3.8Å; F44-W74 HydrophobicContact CB-CZ2 3.77Å; F44-W74 HydrophobicContact CD1-CH2 4.19Å; F44-W74 HydrophobicContact CD1-CZ2 4.43Å; F44-W74 HydrophobicContact CD2-CH2 4.33Å; F44-W74 AromaticContact CD2-CZ2 3.76Å; F44-W74 HydrophobicContact CD2-CZ2 3.76Å; F44-W74 AromaticContact CG-CH2 3.84Å; F44-W74 HydrophobicContact CG-CH2 3.84Å; F44-W74 AromaticContact CG-CZ2 3.72Å; F44-W74 HydrophobicContact CG-CZ2 3.72Å; V50-W74 HydrophobicContact CG1-CH2 3.83Å; V50-W74 HydrophobicContact CG1-CZ3 4.35Å; V50-W74 HydrophobicContact CG2-CE3 4.42Å; V50-W74 HydrophobicContact CG2-CH2 3.94Å; V50-W74 HydrophobicContact CG2-CZ2 4.48Å; V50-W74 HydrophobicContact CG2-CZ3 3.89Å; I67-W74 HydrophobicContact CB-CE3 4.29Å; I67-W74 HydrophobicContact CD1-CB 4.01Å; I67-W74 HydrophobicContact CD1-CD2 3.79Å; I67-W74 HydrophobicContact CD1-CE3 3.73Å; I67-W74 HydrophobicContact CD1-CG 3.91Å; I67-W74 HydrophobicContact CG1-CD2 4.34Å; I67-W74 HydrophobicContact CG1-CE3 3.76Å; I67-W74 HydrophobicContact CG1-CZ3 4.26Å; C69-W74 HydrophobicContact CB-CD2 4.47Å; C69-W74 HydrophobicContact CB-CE3 3.99Å; C69-W74 HydrophobicContact CB-CH2 3.84Å; C69-W74 HydrophobicContact CB-CZ2 4.35Å; C69-W74 HydrophobicContact CB-CZ3 3.65Å; C69-W74 VanDerWaalsContact N-CE3 3.3Å |
| 75 | S | 94.5 | Very high | 93.5 | Very high | 35 Ų | 35 | 57.1 Ų | 57.1 | 25% | 0.245 | 31% | 0.305 | C | S | . | . | P | Polyproline II helix | trans | -58 | 152.5 | 167.3 | 65.8 | 0 | 0 | 0 | 0 | 111.1 | I67 R68 L77 | I67-S75 VanDerWaalsContact CA-OG 3.3Å; I67-S75 WeakPolarHBondContact CA-OG 3.27Å; I67-S75 WeakPolarHBondContact CB-OG 3.32Å; I67-S75 WeakPolarHBondContact CG2-O 3.15Å; R68-S75 PolarHBondContact N-OG 3.45Å; R68-S75 PolarHBondContact O-N 2.89Å; S75-L77 PolarHBondContact O-N 2.69Å |
| 76 | P | 92.3 | Very high | 93.7 | Very high | 105 Ų | 105 | 58.2 Ų | 58.2 | 68% | 0.682 | 31% | 0.312 | S | S | * | . | P | Polyproline II helix | trans | -57.2 | 128.4 | -178.9 | -25.4 | 34.6 | 0 | 0 | 0 | 112.5 | Q78 | P76-Q78 PolarHBondContact O-N 3.43Š|
| 77 | L | 91.5 | Very high | 93.8 | Very high | 17 Ų | 17 | 56.4 Ų | 56.4 | 9% | 0.089 | 31% | 0.307 | C | S | . | . | trans | -78.3 | 112.5 | 171.1 | -178 | 60.2 | 0 | 0 | 0 | 109.6 | R29 M32 F52 I67 S75 L79 | R29-L77 VanDerWaalsContact CZ-O 3.31Å; R29-L77 PolarHBondContact NH1-O 3.35Å; R29-L77 PolarHBondContact NH2-O 2.8Å; R29-L77 VanDerWaalsContact NH2-O 3.17Å; M32-L77 HydrophobicContact SD-CD2 3.64Å; M32-L77 HydrophobicContact SD-CG 4.39Å; F52-L77 HydrophobicContact CB-CD1 4.37Å; F52-L77 HydrophobicContact CD1-CD2 4.38Å; F52-L77 HydrophobicContact CD2-CD1 3.65Å; F52-L77 HydrophobicContact CD2-CD2 3.79Å; F52-L77 HydrophobicContact CD2-CG 4.38Å; F52-L77 HydrophobicContact CE1-CD2 4.48Å; F52-L77 HydrophobicContact CE2-CD1 4.29Å; F52-L77 HydrophobicContact CE2-CD2 3.88Å; F52-L77 HydrophobicContact CG-CD1 4.18Å; F52-L77 HydrophobicContact CG-CD2 4.05Å; F52-L77 HydrophobicContact CZ-CD2 4.22Å; I67-L77 HydrophobicContact CG2-CB 3.97Å; I67-L77 HydrophobicContact CG2-CD1 3.85Å; S75-L77 PolarHBondContact O-N 2.69Å; L77-L79 HydrophobicContact CD1-CB 3.94Å | ||
| 78 | Q | 91.4 | Very high | 93.8 | Very high | 109 Ų | 109 | 60.3 Ų | 60.3 | 51% | 0.509 | 34% | 0.335 | S | S | . | . | trans | -106.9 | 2.5 | 179.3 | -61.8 | -150.9 | -19.2 | 0 | 0 | 114.4 | D63 P76 I80 | D63-Q78 HydrophobicContact CB-CB 4.32Å; P76-Q78 PolarHBondContact O-N 3.43Å; Q78-I80 PolarHBondContact O-N 3.09Å | ||
| 79 | L | 93.2 | Very high | 93.7 | Very high | 5 Ų | 5 | 55.2 Ų | 55.2 | 3% | 0.026 | 32% | 0.317 | C | S | . | . | trans | -58.8 | 129.3 | 174.7 | -177.2 | 64.1 | 0 | 0 | 0 | 110.7 | M32 F52 P60 Q62 L77 | M32-L79 HydrophobicContact CB-CD2 4.43Å; M32-L79 HydrophobicContact CE-CB 4.34Å; M32-L79 HydrophobicContact CE-CD2 4.41Å; M32-L79 HydrophobicContact CE-CG 4.27Å; M32-L79 VanDerWaalsContact CE-O 3.24Å; M32-L79 WeakPolarHBondContact CE-O 3.27Å; M32-L79 HydrophobicContact SD-CD2 4.28Å; F52-L79 HydrophobicContact CB-CD2 3.77Å; P60-L79 HydrophobicContact CB-CD1 3.74Å; Q62-L79 WeakPolarHBondContact O-CA 3.44Å; Q62-L79 WeakPolarHBondContact O-CD1 3.05Å; L77-L79 HydrophobicContact CD1-CB 3.94Å | ||
| 80 | I | 92.8 | Very high | 93.6 | Very high | 78 Ų | 78 | 56.7 Ų | 56.7 | 40% | 0.4 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 125.8 | 171.2 | -60.1 | 176.7 | 0 | 0 | 0 | 108.1 | V61 Q62 Q78 E82 | V61-I80 PolarHBondContact N-O 2.93Å; Q62-I80 PolarHBondContact O-N 2.82Å; Q78-I80 PolarHBondContact O-N 3.09Å; I80-E82 HydrophobicContact CG2-CG 4.33Å |
| 81 | C | 94.5 | Very high | 93.6 | Very high | 9 Ų | 9 | 61.4 Ų | 61.4 | 6% | 0.061 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 117.6 | -179.4 | -67 | 0 | 0 | 0 | 0 | 110.1 | N31 C54 | N31-C81 HydrophobicContact CB-CB 4.1Å; N31-C81 VanDerWaalsContact O-CB 3.26Å; N31-C81 WeakPolarHBondContact O-CB 3.43Å; C54-C81 WeakPolarHBondContact CA-SG 3.45Å; C54-C81 HydrophobicContact CB-CB 3.72Å; C54-C81 WeakPolarHBondContact CB-SG 3.5Å; C54-C81 WeakPolarHBondContact SG-CB 3.44Å; C54-C81 CovalentContact SG-SG 2.04Å; C54-C81 PolarHBondContact SG-SG 2.85Å |
| 82 | E | 93.9 | Very high | 93.9 | Very high | 98 Ų | 98 | 59.3 Ų | 59.3 | 46% | 0.458 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 159.2 | 178.2 | -66.7 | -173.4 | 177.7 | 0 | 0 | 111.3 | Y58 T59 V61 I80 S84 | Y58-E82 CarbonylContact C-O 3.45Å; Y58-E82 WeakPolarHBondContact CA-O 3.38Å; Y58-E82 WeakPolarHBondContact CB-O 3.46Å; Y58-E82 VanDerWaalsContact CD1-C 3.42Å; T59-E82 PolarHBondContact N-O 3.3Å; T59-E82 PolarHBondContact O-N 3.5Å; T59-E82 VanDerWaalsContact O-N 3.09Å; V61-E82 HydrophobicContact CG2-CB 3.67Å; V61-E82 HydrophobicContact CG2-CG 3.6Å; I80-E82 HydrophobicContact CG2-CG 4.33Å; E82-S84 PolarHBondContact O-N 2.04Å |
| 83 | R | 95.3 | Very high | 94.2 | Very high | 83 Ų | 83 | 62.7 Ų | 62.7 | 31% | 0.313 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.2 | 134.6 | 179.5 | -66.4 | -166.9 | -66.5 | 165.9 | -2.7 | 110.3 | Y58 Q104 F105 D107 | Y58-R83 HydrophobicContact CD1-CG 4.17Å; Y58-R83 HydrophobicContact CE1-CB 4.47Å; Y58-R83 HydrophobicContact CE1-CG 3.57Å; R83-Q104 HydrophobicContact CB-CB 3.85Å; R83-Q104 HydrophobicContact CB-CG 4.43Å; R83-Q104 VanDerWaalsContact CZ-OE1 3.25Å; R83-Q104 VanDerWaalsContact NE-OE1 3.17Å; R83-F105 HydrophobicContact CB-CB 4.26Å; R83-F105 PolarHBondContact NH1-O 3.37Å; R83-D107 IonicContact CZ-OD1 2.72Å; R83-D107 IonicContact NH1-OD1 2.77Å; R83-D107 PolarHBondContact NH1-OD1 2.82Å; R83-D107 IonicContact NH1-OD2 2.76Å; R83-D107 IonicContact NH2-OD1 3.6Å; R83-D107 IonicContact NH2-OD2 2.87Å |
| 84 | S | 94.9 | Very high | 94.3 | Very high | 17 Ų | 17 | 60 Ų | 60 | 12% | 0.119 | 34% | 0.337 | C | S | . | . | trans | -60.3 | 141.3 | 174.6 | -53.1 | 0 | 0 | 0 | 0 | 109.9 | G57 E82 Q104 F105 | G57-S84 WeakPolarHBondContact O-CB 3.39Å; G57-S84 PolarHBondContact O-N 2.86Å; G57-S84 PolarHBondContact O-OG 3.34Å; E82-S84 PolarHBondContact O-N 2.04Å; S84-Q104 CarbonylContact O-C 3.45Å; S84-Q104 VanDerWaalsContact O-CA 3.22Å; S84-Q104 WeakPolarHBondContact O-CA 3.49Å; S84-F105 PolarHBondContact O-N 3.08Å | ||
| 85 | N | 95.2 | Very high | 94.4 | Very high | 104 Ų | 104 | 58.5 Ų | 58.5 | 56% | 0.556 | 34% | 0.336 | S | S | * | . | B | Isolated β-bridge | trans | -104.7 | 121.5 | 178.5 | -166.9 | -28.9 | 0 | 0 | 0 | 110 | G87 T103 | N85-G87 VanDerWaalsContact C-N 3.28Å; N85-G87 WeakPolarHBondContact OD1-CA 3.24Å; N85-G87 PolarHBondContact OD1-N 2.02Å; N85-T103 PolarHBondContact OD1-O 3.43Å; N85-T103 PolarHBondContact OD1-OG1 2.77Å |
| 86 | C | 96.1 | Very high | 94.5 | Very high | 23 Ų | 23 | 63.1 Ų | 63.1 | 16% | 0.155 | 35% | 0.353 | C | S | . | . | trans | -79.4 | -9.8 | 177.8 | -67.7 | 0 | 0 | 0 | 0 | 113.5 | T103 C127 G131 W132 | C86-T103 PolarHBondContact N-O 3.24Å; C86-C127 HydrophobicContact CB-CB 3.83Å; C86-C127 WeakPolarHBondContact CB-SG 3.43Å; C86-C127 WeakPolarHBondContact SG-CA 3.19Å; C86-C127 WeakPolarHBondContact SG-CB 3.26Å; C86-C127 CovalentContact SG-SG 2.02Å; C86-C127 PolarHBondContact SG-SG 3.17Å; C86-G131 WeakPolarHBondContact SG-CA 3.34Å; C86-W132 HydrophobicContact CB-CD2 3.99Å; C86-W132 HydrophobicContact CB-CG 4.11Å; C86-W132 HydrophobicContact CB-CZ2 4.09Å; C86-W132 PolarHBondContact O-NE1 3.42Å | ||
| 87 | G | 95.1 | Very high | 94.8 | Very high | 30 Ų | 30 | 59.6 Ų | 59.6 | 31% | 0.309 | 33% | 0.33 | S | S | . | . | trans | 66.1 | -162.4 | -174.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | N85 T103 W132 | N85-G87 VanDerWaalsContact C-N 3.28Å; N85-G87 WeakPolarHBondContact OD1-CA 3.24Å; N85-G87 PolarHBondContact OD1-N 2.02Å; G87-T103 WeakPolarHBondContact O-CB 3.26Å; G87-T103 WeakPolarHBondContact O-CG2 3.14Å; G87-W132 WeakPolarHBondContact O-CZ2 3.35Å; G87-W132 PolarHBondContact O-NE1 3.45Å | ||
| 88 | S | 94.9 | Very high | 95 | Very high | 87 Ų | 87 | 61.3 Ų | 61.3 | 61% | 0.608 | 34% | 0.343 | S | S | * | . | trans | -75.8 | 134.6 | 175 | -174.6 | 0 | 0 | 0 | 0 | 110.6 | G90 Y99 | S88-G90 PolarHBondContact O-N 2.85Å; S88-G90 PolarHBondContact OG-N 2.97Å; S88-Y99 PolarHBondContact OG-OH 3.41Å | ||
| 89 | L | 93.5 | Very high | 95.3 | Very high | 24 Ų | 24 | 59 Ų | 59 | 13% | 0.126 | 33% | 0.33 | C | S | . | . | trans | -70.9 | -13 | 174.5 | -175.2 | 66.2 | 0 | 0 | 0 | 112.7 | V97 Y99 A109 I111 I125 W132 L136 | L89-V97 HydrophobicContact CD2-CG1 4.25Å; L89-Y99 HydrophobicContact CB-CE1 4.26Å; L89-Y99 WeakPolarHBondContact CB-OH 3.18Å; L89-Y99 PolarHBondContact N-OH 2.82Å; L89-A109 HydrophobicContact CD2-CB 3.8Å; L89-I111 HydrophobicContact CD2-CD1 4.42Å; L89-I125 HydrophobicContact CD1-CD1 4.28Å; L89-I125 HydrophobicContact CD1-CG2 4.49Å; L89-I125 HydrophobicContact CD2-CB 4.16Å; L89-I125 HydrophobicContact CD2-CD1 3.79Å; L89-I125 HydrophobicContact CD2-CG1 4.28Å; L89-W132 HydrophobicContact CB-CD2 4.28Å; L89-W132 HydrophobicContact CB-CG 4.27Å; L89-W132 HydrophobicContact CD1-CB 3.4Å; L89-W132 VanDerWaalsContact CD1-CD1 3.49Å; L89-W132 HydrophobicContact CD1-CD2 3.92Å; L89-W132 HydrophobicContact CD1-CG 3.3Å; L89-W132 HydrophobicContact CG-CG 4.28Å; L89-L136 HydrophobicContact CB-CD2 4.45Å; L89-L136 HydrophobicContact CD1-CD2 4.4Å; L89-L136 HydrophobicContact CD2-CD2 3.55Å; L89-L136 HydrophobicContact CG-CD2 3.48Å; L89-L136 VanDerWaalsContact CG-CD2 3.48Å; L89-L136 HydrophobicContact CG-CG 4.04Å; L89-L136 WeakPolarHBondContact O-CD1 3.23Å | ||
| 90 | G | 93.6 | Very high | 95.4 | Very high | 32 Ų | 32 | 62.6 Ų | 62.6 | 33% | 0.33 | 35% | 0.354 | S | S | . | . | trans | 101.6 | -168.1 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | S88 | S88-G90 PolarHBondContact O-N 2.85Å; S88-G90 PolarHBondContact OG-N 2.97Å | ||
| 91 | E | 94.6 | Very high | 95.6 | Very high | 181 Ų | 181 | 65.8 Ų | 65.8 | 85% | 0.846 | 37% | 0.367 | S | S | * | . | trans | -105.2 | 144.3 | -178.7 | -64 | -176.1 | 175.2 | 0 | 0 | 111.4 | L136 | E91-L136 WeakPolarHBondContact O-CD1 3.47Š| ||
| 92 | V | 96.3 | Very high | 95.7 | Very high | 8 Ų | 8 | 66.6 Ų | 66.6 | 5% | 0.048 | 38% | 0.377 | C | S | . | . | trans | -106.4 | 116 | 173.8 | 178.6 | 0 | 0 | 0 | 0 | 108.4 | N94 G95 V97 I111 L136 C139 | V92-N94 PolarHBondContact O-N 2.91Å; V92-G95 CarbonylContact O-C 3.46Å; V92-G95 PolarHBondContact O-N 2.84Å; V92-G95 VanDerWaalsContact O-O 3.05Å; V92-V97 HydrophobicContact CB-CG2 4.44Å; V92-V97 HydrophobicContact CG2-CG2 3.65Å; V92-I111 HydrophobicContact CG1-CG2 4.44Å; V92-I111 HydrophobicContact CG2-CG2 4.03Å; V92-L136 HydrophobicContact CG2-CB 4.46Å; V92-L136 HydrophobicContact CG2-CD1 4.42Å; V92-L136 HydrophobicContact CG2-CD2 3.58Å; V92-L136 HydrophobicContact CG2-CG 4.39Å; V92-C139 HydrophobicContact CG1-CB 4.39Å | ||
| 93 | P | 95.9 | Very high | 95.8 | Very high | 101 Ų | 101 | 63.3 Ų | 63.3 | 66% | 0.656 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.5 | 131.7 | 174.2 | -25.5 | 34.6 | 0 | 0 | 0 | 110.9 | G95 C139 | P93-G95 PolarHBondContact O-N 3.44Å; P93-C139 WeakPolarHBondContact O-CB 3.44Å |
| 94 | N | 96.1 | Very high | 95.9 | Very high | 69 Ų | 69 | 62.4 Ų | 62.4 | 37% | 0.369 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.9 | 25.5 | -175.8 | -50.7 | -61.2 | 0 | 0 | 0 | 114.6 | V92 N114 Y117 C139 | V92-N94 PolarHBondContact O-N 2.91Å; N94-N114 VanDerWaalsContact C-ND2 3.35Å; N94-N114 WeakPolarHBondContact O-CB 3.04Å; N94-N114 PolarHBondContact O-N 3.34Å; N94-Y117 HydrophobicContact CB-CD1 3.46Å; N94-Y117 VanDerWaalsContact CB-CD1 3.46Å; N94-Y117 HydrophobicContact CB-CD2 3.84Å; N94-Y117 HydrophobicContact CB-CE1 3.43Å; N94-Y117 VanDerWaalsContact CB-CE1 3.43Å; N94-Y117 HydrophobicContact CB-CE2 3.81Å; N94-Y117 HydrophobicContact CB-CG 3.68Å; N94-Y117 VanDerWaalsContact ND2-CE1 3.31Å; N94-Y117 WeakPolarHBondContact ND2-CE1 3.34Å; N94-Y117 PolarHBondContact OD1-OH 3.38Å; N94-C139 HydrophobicContact CB-CB 4.28Å |
| 95 | G | 96.8 | Very high | 96 | Very high | 14 Ų | 14 | 64.3 Ų | 64.3 | 14% | 0.144 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | -176 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | V92 P93 T112 | V92-G95 CarbonylContact O-C 3.46Å; V92-G95 PolarHBondContact O-N 2.84Å; V92-G95 VanDerWaalsContact O-O 3.05Å; P93-G95 PolarHBondContact O-N 3.44Å; G95-T112 CarbonylContact C-O 3.39Å; G95-T112 WeakPolarHBondContact CA-O 3.41Å |
| 96 | Q | 97 | Very high | 96 | Very high | 131 Ų | 131 | 61.5 Ų | 61.5 | 61% | 0.612 | 37% | 0.365 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 140.8 | -178.8 | -61.5 | -178.1 | 16.1 | 0 | 0 | 109.2 | I111 T112 | Q96-I111 WeakPolarHBondContact O-CA 3.04Å; Q96-T112 PolarHBondContact N-O 2.73Å; Q96-T112 PolarHBondContact O-N 2.78Å |
| 97 | V | 97.3 | Very high | 96.1 | Very high | 32 Ų | 32 | 61 Ų | 61 | 19% | 0.194 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 131.4 | 173 | -171.6 | 0 | 0 | 0 | 0 | 108.2 | L89 V92 Y99 A109 L110 I111 L136 | L89-V97 HydrophobicContact CD2-CG1 4.25Å; V92-V97 HydrophobicContact CB-CG2 4.44Å; V92-V97 HydrophobicContact CG2-CG2 3.65Å; V97-Y99 HydrophobicContact CG1-CE1 3.99Å; V97-Y99 HydrophobicContact CG1-CE2 4.08Å; V97-Y99 WeakPolarHBondContact CG1-OH 3.4Å; V97-A109 HydrophobicContact CG1-CB 4.06Å; V97-L110 WeakPolarHBondContact CA-O 3.26Å; V97-I111 HydrophobicContact CG2-CG1 4.28Å; V97-L136 HydrophobicContact CG2-CD2 4.23Å |
| 98 | S | 97.1 | Very high | 96.2 | Very high | 52 Ų | 52 | 63.9 Ų | 63.9 | 36% | 0.364 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 147.6 | 179.3 | 62.8 | 0 | 0 | 0 | 0 | 111 | P100 A109 L110 | S98-P100 WeakPolarHBondContact O-CD 3.45Å; S98-A109 CarbonylContact O-C 3.59Å; S98-A109 WeakPolarHBondContact O-CA 3.45Å; S98-L110 PolarHBondContact N-O 2.83Å; S98-L110 PolarHBondContact O-N 3.44Å; S98-L110 PolarHBondContact OG-O 3.06Å |
| 99 | Y | 97.4 | Very high | 96.4 | Very high | 62 Ų | 62 | 59.7 Ų | 59.7 | 24% | 0.243 | 34% | 0.336 | C | S | . | . | trans | -124.8 | 70.1 | -175.7 | -54.1 | -80.9 | 0 | 0 | 0 | 109.8 | S88 L89 V97 Q101 G102 T103 A109 W132 | S88-Y99 PolarHBondContact OG-OH 3.41Å; L89-Y99 HydrophobicContact CB-CE1 4.26Å; L89-Y99 WeakPolarHBondContact CB-OH 3.18Å; L89-Y99 PolarHBondContact N-OH 2.82Å; V97-Y99 HydrophobicContact CG1-CE1 3.99Å; V97-Y99 HydrophobicContact CG1-CE2 4.08Å; V97-Y99 WeakPolarHBondContact CG1-OH 3.4Å; Y99-Q101 PolarHBondContact O-N 3.24Å; Y99-Q101 VanDerWaalsContact O-N 3.16Å; Y99-G102 PolarHBondContact O-N 3.41Å; Y99-T103 HydrophobicContact CD1-CG2 3.58Å; Y99-T103 HydrophobicContact CD2-CG2 4.46Å; Y99-T103 HydrophobicContact CE1-CG2 3.98Å; Y99-T103 HydrophobicContact CG-CG2 3.83Å; Y99-A109 HydrophobicContact CD1-CB 3.82Å; Y99-A109 HydrophobicContact CE1-CB 3.61Å; Y99-W132 AromaticContact CD1-CH2 3.86Å; Y99-W132 HydrophobicContact CD1-CH2 3.86Å; Y99-W132 AromaticContact CD1-CZ2 3.91Å; Y99-W132 HydrophobicContact CD1-CZ2 3.91Å; Y99-W132 AromaticContact CE1-CH2 3.85Å; Y99-W132 HydrophobicContact CE1-CH2 3.85Å; Y99-W132 AromaticContact CE1-CZ2 3.53Å; Y99-W132 HydrophobicContact CE1-CZ2 3.53Å | ||
| 100 | P | 95.8 | Very high | 96.6 | Very high | 79 Ų | 79 | 61.1 Ų | 61.1 | 51% | 0.513 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -26.4 | -172 | 25.6 | -35.8 | 0 | 0 | 0 | 113.7 | S98 L110 | S98-P100 WeakPolarHBondContact O-CD 3.45Å; P100-L110 HydrophobicContact CG-CD1 3.78Å; P100-L110 HydrophobicContact CG-CG 4.09Å |
| 101 | Q | 95.7 | Very high | 96.8 | Very high | 145 Ų | 145 | 59.9 Ų | 59.9 | 68% | 0.678 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.2 | -1.8 | -179.5 | -59 | -58.9 | -43.6 | 0 | 0 | 113.5 | Y99 D107 | Y99-Q101 PolarHBondContact O-N 3.24Å; Y99-Q101 VanDerWaalsContact O-N 3.16Å; Q101-D107 HydrophobicContact CB-CB 4.41Å |
| 102 | G | 96.4 | Very high | 96.9 | Very high | 27 Ų | 27 | 55.6 Ų | 55.6 | 28% | 0.278 | 32% | 0.315 | S | S | . | . | trans | 102.8 | -163.7 | -172.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y99 D107 | Y99-G102 PolarHBondContact O-N 3.41Å; G102-D107 VanDerWaalsContact C-OD2 3.28Å; G102-D107 WeakPolarHBondContact O-CB 3.46Å | ||
| 103 | T | 97.2 | Very high | 96.9 | Very high | 29 Ų | 29 | 56.3 Ų | 56.3 | 18% | 0.178 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -126.7 | 19.4 | -173.5 | 59.7 | 0 | 0 | 0 | 0 | 112.6 | N85 C86 G87 Y99 D107 C127 W132 | N85-T103 PolarHBondContact OD1-O 3.43Å; N85-T103 PolarHBondContact OD1-OG1 2.77Å; C86-T103 PolarHBondContact N-O 3.24Å; G87-T103 WeakPolarHBondContact O-CB 3.26Å; G87-T103 WeakPolarHBondContact O-CG2 3.14Å; Y99-T103 HydrophobicContact CD1-CG2 3.58Å; Y99-T103 HydrophobicContact CD2-CG2 4.46Å; Y99-T103 HydrophobicContact CE1-CG2 3.98Å; Y99-T103 HydrophobicContact CG-CG2 3.83Å; T103-D107 PolarHBondContact N-OD2 3.37Å; T103-C127 PolarHBondContact O-SG 2.84Å; T103-C127 VanDerWaalsContact O-SG 3.38Å; T103-W132 HydrophobicContact CG2-CH2 4.47Å; T103-W132 HydrophobicContact CG2-CZ2 3.99Å |
| 104 | Q | 97 | Very high | 96.9 | Very high | 63 Ų | 63 | 54.5 Ų | 54.5 | 29% | 0.294 | 31% | 0.305 | S | S | . | . | B | Isolated β-bridge | trans | -90.5 | 165.4 | -179 | -62.6 | -175.6 | -47.3 | 0 | 0 | 111.8 | R83 S84 G106 D107 C127 | R83-Q104 HydrophobicContact CB-CB 3.85Å; R83-Q104 HydrophobicContact CB-CG 4.43Å; R83-Q104 VanDerWaalsContact CZ-OE1 3.25Å; R83-Q104 VanDerWaalsContact NE-OE1 3.17Å; S84-Q104 CarbonylContact O-C 3.45Å; S84-Q104 VanDerWaalsContact O-CA 3.22Å; S84-Q104 WeakPolarHBondContact O-CA 3.49Å; Q104-G106 PolarHBondContact O-N 3.28Å; Q104-D107 WeakPolarHBondContact CA-OD2 3.42Å; Q104-D107 WeakPolarHBondContact CB-OD2 3.38Å; Q104-D107 PolarHBondContact N-OD2 2.83Å; Q104-D107 WeakPolarHBondContact O-CA 3.22Å; Q104-D107 WeakPolarHBondContact O-CB 3.39Å; Q104-D107 PolarHBondContact O-N 2.78Å; Q104-C127 VanDerWaalsContact O-CB 3.26Å; Q104-C127 WeakPolarHBondContact O-CB 3.25Å; Q104-C127 PolarHBondContact O-SG 3.33Å; Q104-C127 VanDerWaalsContact O-SG 3.34Å |
| 105 | F | 97.3 | Very high | 96.8 | Very high | 57 Ų | 57 | 55.7 Ų | 55.7 | 25% | 0.25 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -47.8 | 126.1 | -179.8 | 179.1 | -111.2 | 0 | 0 | 0 | 112.1 | G57 R83 S84 D107 C127 T129 | G57-F105 WeakPolarHBondContact O-CB 3.42Å; R83-F105 HydrophobicContact CB-CB 4.26Å; R83-F105 PolarHBondContact NH1-O 3.37Å; S84-F105 PolarHBondContact O-N 3.08Å; F105-D107 VanDerWaalsContact C-N 3.32Å; F105-C127 PolarHBondContact N-SG 3.43Å; F105-C127 VanDerWaalsContact N-SG 3.44Å; F105-T129 HydrophobicContact CD2-CG2 4.45Å; F105-T129 HydrophobicContact CE2-CG2 3.73Å; F105-T129 HydrophobicContact CZ-CG2 4.31Å |
| 106 | G | 95.7 | Very high | 96.6 | Very high | 45 Ų | 45 | 55.1 Ų | 55.1 | 46% | 0.464 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.3 | -17.4 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | Q104 C127 | Q104-G106 PolarHBondContact O-N 3.28Å; G106-C127 PolarHBondContact N-O 2.92Å |
| 107 | D | 97.6 | Very high | 96.5 | Very high | 14 Ų | 14 | 52.5 Ų | 52.5 | 8% | 0.075 | 29% | 0.294 | C | S | . | . | trans | -69.1 | 159.3 | 177.1 | -58.8 | -18.3 | 0 | 0 | 0 | 110.9 | R83 Q101 G102 T103 Q104 F105 T126 C127 | R83-D107 IonicContact CZ-OD1 2.72Å; R83-D107 IonicContact NH1-OD1 2.77Å; R83-D107 PolarHBondContact NH1-OD1 2.82Å; R83-D107 IonicContact NH1-OD2 2.76Å; R83-D107 IonicContact NH2-OD1 3.6Å; R83-D107 IonicContact NH2-OD2 2.87Å; Q101-D107 HydrophobicContact CB-CB 4.41Å; G102-D107 VanDerWaalsContact C-OD2 3.28Å; G102-D107 WeakPolarHBondContact O-CB 3.46Å; T103-D107 PolarHBondContact N-OD2 3.37Å; Q104-D107 WeakPolarHBondContact CA-OD2 3.42Å; Q104-D107 WeakPolarHBondContact CB-OD2 3.38Å; Q104-D107 PolarHBondContact N-OD2 2.83Å; Q104-D107 WeakPolarHBondContact O-CA 3.22Å; Q104-D107 WeakPolarHBondContact O-CB 3.39Å; Q104-D107 PolarHBondContact O-N 2.78Å; F105-D107 VanDerWaalsContact C-N 3.32Å; D107-T126 WeakPolarHBondContact O-CA 3.47Å; D107-C127 PolarHBondContact O-N 3.1Å | ||
| 108 | K | 97.5 | Very high | 96.3 | Very high | 89 Ų | 89 | 54.7 Ų | 54.7 | 39% | 0.387 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 133.1 | -176.8 | -67.2 | -177.2 | 170.4 | -166.1 | 0 | 111.8 | E124 I125 | K108-E124 WeakPolarHBondContact CD-OE2 3.39Å; K108-E124 IonicContact NZ-OE2 2.69Å; K108-E124 PolarHBondContact NZ-OE2 2.83Å; K108-I125 WeakPolarHBondContact CA-O 3.38Å |
| 109 | A | 97.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 132.5 | 162.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | L89 V97 S98 Y99 E124 I125 W132 | L89-A109 HydrophobicContact CD2-CB 3.8Å; V97-A109 HydrophobicContact CG1-CB 4.06Å; S98-A109 CarbonylContact O-C 3.59Å; S98-A109 WeakPolarHBondContact O-CA 3.45Å; Y99-A109 HydrophobicContact CD1-CB 3.82Å; Y99-A109 HydrophobicContact CE1-CB 3.61Å; A109-E124 VanDerWaalsContact O-CA 3.28Å; A109-E124 WeakPolarHBondContact O-CA 3.48Å; A109-I125 PolarHBondContact N-O 2.76Å; A109-I125 PolarHBondContact O-N 3.14Å; A109-W132 HydrophobicContact CB-CE3 4.24Å; A109-W132 HydrophobicContact CB-CH2 3.75Å; A109-W132 HydrophobicContact CB-CZ2 4.37Å; A109-W132 HydrophobicContact CB-CZ3 3.68Å |
| 110 | L | 97.8 | Very high | 96 | Very high | 54 Ų | 54 | 55.5 Ų | 55.5 | 28% | 0.283 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 131.1 | 175.2 | -51 | 179.2 | 0 | 0 | 0 | 109.9 | V97 S98 P100 S123 E124 | V97-L110 WeakPolarHBondContact CA-O 3.26Å; S98-L110 PolarHBondContact N-O 2.83Å; S98-L110 PolarHBondContact O-N 3.44Å; S98-L110 PolarHBondContact OG-O 3.06Å; P100-L110 HydrophobicContact CG-CD1 3.78Å; P100-L110 HydrophobicContact CG-CG 4.09Å; L110-S123 WeakPolarHBondContact CA-O 3.28Å; L110-E124 HydrophobicContact CD2-CB 4.25Å; L110-E124 HydrophobicContact CD2-CG 3.57Å |
| 111 | I | 97.9 | Very high | 96 | Very high | 6 Ų | 6 | 54.7 Ų | 54.7 | 3% | 0.031 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 126.9 | -178.8 | -56.8 | 86.3 | 0 | 0 | 0 | 109.7 | L89 V92 Q96 V97 L119 S123 I125 P137 | L89-I111 HydrophobicContact CD2-CD1 4.42Å; V92-I111 HydrophobicContact CG1-CG2 4.44Å; V92-I111 HydrophobicContact CG2-CG2 4.03Å; Q96-I111 WeakPolarHBondContact O-CA 3.04Å; V97-I111 HydrophobicContact CG2-CG1 4.28Å; I111-L119 HydrophobicContact CB-CD1 4.47Å; I111-L119 HydrophobicContact CG2-CD1 3.92Å; I111-S123 PolarHBondContact N-O 3.3Å; I111-I125 HydrophobicContact CD1-CD1 4.33Å; I111-I125 HydrophobicContact CD1-CG1 3.95Å; I111-P137 HydrophobicContact CB-CG 4.01Å; I111-P137 HydrophobicContact CD1-CG 4.44Å; I111-P137 HydrophobicContact CG1-CG 3.98Å; I111-P137 HydrophobicContact CG2-CG 3.71Å |
| 112 | T | 97.3 | Very high | 96 | Very high | 90 Ų | 90 | 53.2 Ų | 53.2 | 55% | 0.552 | 30% | 0.304 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126 | 128.5 | 177.2 | -57 | 0 | 0 | 0 | 0 | 109.5 | G95 Q96 | G95-T112 CarbonylContact C-O 3.39Å; G95-T112 WeakPolarHBondContact CA-O 3.41Å; Q96-T112 PolarHBondContact N-O 2.73Å; Q96-T112 PolarHBondContact O-N 2.78Å |
| 113 | C | 96.9 | Very high | 96 | Very high | 24 Ų | 24 | 54.9 Ų | 54.9 | 16% | 0.162 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 148.4 | 174.5 | -64 | 0 | 0 | 0 | 0 | 111.4 | L119 C139 | C113-L119 WeakPolarHBondContact SG-CA 3.49Å; C113-L119 PolarHBondContact SG-N 2.83Å; C113-C139 WeakPolarHBondContact CA-SG 3.4Å; C113-C139 HydrophobicContact CB-CB 3.79Å; C113-C139 WeakPolarHBondContact CB-SG 2.9Å; C113-C139 VanDerWaalsContact SG-CA 3.52Å; C113-C139 WeakPolarHBondContact SG-CB 3.23Å; C113-C139 CovalentContact SG-SG 2.04Å; C113-C139 PolarHBondContact SG-SG 3.23Å |
| 114 | N | 95.5 | Very high | 96 | Very high | 62 Ų | 62 | 57.4 Ų | 57.4 | 33% | 0.332 | 32% | 0.322 | S | S | . | . | P | Polyproline II helix | trans | -65.5 | 158.5 | 174 | -66.1 | -20.7 | 0 | 0 | 0 | 110.5 | N94 G116 Y117 | N94-N114 VanDerWaalsContact C-ND2 3.35Å; N94-N114 WeakPolarHBondContact O-CB 3.04Å; N94-N114 PolarHBondContact O-N 3.34Å; N114-G116 PolarHBondContact O-N 2.84Å; N114-Y117 HydrophobicContact CB-CD2 4.26Å; N114-Y117 WeakPolarHBondContact O-CB 3.34Å; N114-Y117 PolarHBondContact O-N 3.2Å |
| 115 | T | 93.1 | Very high | 96 | Very high | 95 Ų | 95 | 54.4 Ų | 54.4 | 58% | 0.583 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.3 | 133.6 | 175.9 | -54 | 0 | 0 | 0 | 0 | 111.4 | Y117 Y164 | T115-Y117 VanDerWaalsContact C-N 3.35Å; T115-Y164 HydrophobicContact CG2-CE1 4.31Å |
| 116 | G | 93.2 | Very high | 96 | Very high | 1 Ų | 1 | 53.8 Ų | 53.8 | 1% | 0.01 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 85.6 | 3.1 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | N114 A142 Y164 | N114-G116 PolarHBondContact O-N 2.84Å; G116-A142 WeakPolarHBondContact O-CB 3.35Å; G116-A142 PolarHBondContact O-N 3.47Å; G116-Y164 VanDerWaalsContact CA-CD1 3.43Å; G116-Y164 VanDerWaalsContact CA-CG 3.45Å |
| 117 | Y | 94.8 | Very high | 96.1 | Very high | 77 Ų | 77 | 51.7 Ų | 51.7 | 30% | 0.302 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 147.6 | 174.5 | -64.7 | -99.1 | 0 | 0 | 0 | 111.1 | N94 N114 T115 C139 E140 V141 | N94-Y117 HydrophobicContact CB-CD1 3.46Å; N94-Y117 VanDerWaalsContact CB-CD1 3.46Å; N94-Y117 HydrophobicContact CB-CD2 3.84Å; N94-Y117 HydrophobicContact CB-CE1 3.43Å; N94-Y117 VanDerWaalsContact CB-CE1 3.43Å; N94-Y117 HydrophobicContact CB-CE2 3.81Å; N94-Y117 HydrophobicContact CB-CG 3.68Å; N94-Y117 VanDerWaalsContact ND2-CE1 3.31Å; N94-Y117 WeakPolarHBondContact ND2-CE1 3.34Å; N94-Y117 PolarHBondContact OD1-OH 3.38Å; N114-Y117 HydrophobicContact CB-CD2 4.26Å; N114-Y117 WeakPolarHBondContact O-CB 3.34Å; N114-Y117 PolarHBondContact O-N 3.2Å; T115-Y117 VanDerWaalsContact C-N 3.35Å; Y117-C139 WeakPolarHBondContact CD1-O 3.09Å; Y117-E140 CarbonylContact C-O 3.53Å; Y117-E140 VanDerWaalsContact CA-O 3.23Å; Y117-E140 WeakPolarHBondContact CA-O 3.05Å; Y117-V141 HydrophobicContact CD1-CB 4.07Å; Y117-V141 HydrophobicContact CE1-CB 3.82Å; Y117-V141 HydrophobicContact CE1-CG2 4.36Å |
| 118 | K | 92.9 | Very high | 96 | Very high | 78 Ų | 78 | 51.1 Ų | 51.1 | 34% | 0.339 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 138 | 179.4 | -67 | -169.5 | 175.6 | -171.6 | 0 | 110.5 | V120 C139 E140 E188 N190 | K118-V120 PolarHBondContact O-N 2.85Å; K118-C139 WeakPolarHBondContact O-CA 3.04Å; K118-E140 PolarHBondContact N-O 2.96Å; K118-E140 PolarHBondContact O-N 3.03Å; K118-E188 WeakPolarHBondContact CE-O 3.45Å; K118-N190 WeakPolarHBondContact CE-OD1 3.02Å; K118-N190 PolarHBondContact NZ-ND2 2.8Å; K118-N190 PolarHBondContact NZ-OD1 2.8Å |
| 119 | L | 94.8 | Very high | 95.8 | Very high | 59 Ų | 59 | 50.4 Ų | 50.4 | 31% | 0.309 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 122 | 177.8 | -173.8 | 74.8 | 0 | 0 | 0 | 110.4 | I111 C113 S123 P137 | I111-L119 HydrophobicContact CB-CD1 4.47Å; I111-L119 HydrophobicContact CG2-CD1 3.92Å; C113-L119 WeakPolarHBondContact SG-CA 3.49Å; C113-L119 PolarHBondContact SG-N 2.83Å; L119-S123 VanDerWaalsContact CD2-CA 3.46Å; L119-S123 VanDerWaalsContact CD2-CB 3.44Å; L119-P137 HydrophobicContact CD1-CB 3.78Å; L119-P137 HydrophobicContact CD1-CG 3.64Å |
| 120 | V | 95 | Very high | 95.4 | Very high | 71 Ų | 71 | 59.7 Ų | 59.7 | 43% | 0.43 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 106.1 | 170.7 | -178.1 | 0 | 0 | 0 | 0 | 108.2 | K118 P137 T138 E140 | K118-V120 PolarHBondContact O-N 2.85Å; V120-P137 WeakPolarHBondContact O-CB 3.48Å; V120-T138 PolarHBondContact N-O 3.32Å; V120-T138 PolarHBondContact O-N 2.97Å; V120-T138 VanDerWaalsContact O-N 3.08Å; V120-E140 HydrophobicContact CG2-CB 4.22Å; V120-E140 HydrophobicContact CG2-CG 3.87Å |
| 121 | G | 94.8 | Very high | 95.2 | Very high | 62 Ų | 62 | 58.1 Ų | 58.1 | 64% | 0.639 | 33% | 0.328 | S | S | * | . | S | Bend | trans | 123.6 | -157.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 122 | K | 95.3 | Very high | 95.2 | Very high | 114 Ų | 114 | 59.7 Ų | 59.7 | 50% | 0.496 | 33% | 0.334 | S | S | . | . | trans | -81.5 | 136.8 | 179.8 | -70.6 | 176.5 | 172.7 | 173.4 | 0 | 111 | E124 D134 P137 | K122-E124 VanDerWaalsContact C-N 3.33Å; K122-D134 HydrophobicContact CD-CB 4.29Å; K122-D134 WeakPolarHBondContact CD-OD2 3.42Å; K122-D134 IonicContact NZ-OD1 3.69Å; K122-D134 PolarHBondContact NZ-OD1 3.22Å; K122-D134 IonicContact NZ-OD2 2.7Å; K122-D134 PolarHBondContact NZ-OD2 2.79Å; K122-P137 WeakPolarHBondContact O-CG 3.5Å | ||
| 123 | S | 96.2 | Very high | 95.1 | Very high | 62 Ų | 62 | 60.7 Ų | 60.7 | 43% | 0.434 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -83 | -12.5 | 173.3 | 56.9 | 0 | 0 | 0 | 0 | 113.3 | L110 I111 L119 | L110-S123 WeakPolarHBondContact CA-O 3.28Å; I111-S123 PolarHBondContact N-O 3.3Å; L119-S123 VanDerWaalsContact CD2-CA 3.46Å; L119-S123 VanDerWaalsContact CD2-CB 3.44Å |
| 124 | E | 97.3 | Very high | 95 | Very high | 82 Ų | 82 | 62.4 Ų | 62.4 | 38% | 0.383 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 136.6 | -179.7 | -51 | -169.1 | 166.7 | 0 | 0 | 110.2 | K108 A109 L110 K122 | K108-E124 WeakPolarHBondContact CD-OE2 3.39Å; K108-E124 IonicContact NZ-OE2 2.69Å; K108-E124 PolarHBondContact NZ-OE2 2.83Å; A109-E124 VanDerWaalsContact O-CA 3.28Å; A109-E124 WeakPolarHBondContact O-CA 3.48Å; L110-E124 HydrophobicContact CD2-CB 4.25Å; L110-E124 HydrophobicContact CD2-CG 3.57Å; K122-E124 VanDerWaalsContact C-N 3.33Å |
| 125 | I | 97.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 70.4 Ų | 70.4 | 0% | 0 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 132.3 | 173.3 | -52.9 | -171 | 0 | 0 | 0 | 108.9 | L89 K108 A109 I111 W132 D134 R135 | L89-I125 HydrophobicContact CD1-CD1 4.28Å; L89-I125 HydrophobicContact CD1-CG2 4.49Å; L89-I125 HydrophobicContact CD2-CB 4.16Å; L89-I125 HydrophobicContact CD2-CD1 3.79Å; L89-I125 HydrophobicContact CD2-CG1 4.28Å; K108-I125 WeakPolarHBondContact CA-O 3.38Å; A109-I125 PolarHBondContact N-O 2.76Å; A109-I125 PolarHBondContact O-N 3.14Å; I111-I125 HydrophobicContact CD1-CD1 4.33Å; I111-I125 HydrophobicContact CD1-CG1 3.95Å; I125-W132 HydrophobicContact CB-CE3 4.43Å; I125-W132 HydrophobicContact CG2-CB 3.91Å; I125-W132 HydrophobicContact CG2-CE3 4.06Å; I125-W132 VanDerWaalsContact O-CZ3 3.26Å; I125-W132 WeakPolarHBondContact O-CZ3 3.45Å; I125-D134 HydrophobicContact CB-CB 4.44Å; I125-D134 HydrophobicContact CD1-CB 3.85Å; I125-D134 HydrophobicContact CG1-CB 4Å; I125-D134 HydrophobicContact CG2-CB 3.77Å; I125-R135 WeakPolarHBondContact CD1-O 3.27Å |
| 126 | T | 97.8 | Very high | 95 | Very high | 44 Ų | 44 | 68.8 Ų | 68.8 | 27% | 0.27 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 140.1 | -177.9 | -59.8 | 0 | 0 | 0 | 0 | 111.3 | D107 G128 L133 | D107-T126 WeakPolarHBondContact O-CA 3.47Å; T126-G128 PolarHBondContact O-N 3.28Å; T126-L133 HydrophobicContact CG2-CD1 4.36Å; T126-L133 WeakPolarHBondContact O-CG 3.36Å; T126-L133 PolarHBondContact O-N 2.74Å |
| 127 | C | 97.4 | Very high | 95.2 | Very high | 1 Ų | 1 | 69.4 Ų | 69.4 | 1% | 0.007 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 112.8 | 172.6 | 174.1 | 0 | 0 | 0 | 0 | 109.9 | C86 T103 Q104 F105 G106 D107 W132 | C86-C127 HydrophobicContact CB-CB 3.83Å; C86-C127 WeakPolarHBondContact CB-SG 3.43Å; C86-C127 WeakPolarHBondContact SG-CA 3.19Å; C86-C127 WeakPolarHBondContact SG-CB 3.26Å; C86-C127 CovalentContact SG-SG 2.02Å; C86-C127 PolarHBondContact SG-SG 3.17Å; T103-C127 PolarHBondContact O-SG 2.84Å; T103-C127 VanDerWaalsContact O-SG 3.38Å; Q104-C127 VanDerWaalsContact O-CB 3.26Å; Q104-C127 WeakPolarHBondContact O-CB 3.25Å; Q104-C127 PolarHBondContact O-SG 3.33Å; Q104-C127 VanDerWaalsContact O-SG 3.34Å; F105-C127 PolarHBondContact N-SG 3.43Å; F105-C127 VanDerWaalsContact N-SG 3.44Å; G106-C127 PolarHBondContact N-O 2.92Å; D107-C127 PolarHBondContact O-N 3.1Å; C127-W132 HydrophobicContact CB-CD2 4.5Å; C127-W132 HydrophobicContact CB-CE3 3.99Å; C127-W132 HydrophobicContact CB-CH2 4.12Å; C127-W132 HydrophobicContact CB-CZ3 3.77Å |
| 128 | G | 95.9 | Very high | 95.3 | Very high | 3 Ų | 3 | 69.5 Ų | 69.5 | 3% | 0.031 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | -164.9 | 180 | 0 | 0 | 0 | 0 | 0 | 113.3 | T126 G131 | T126-G128 PolarHBondContact O-N 3.28Å; G128-G131 CarbonylContact C-O 3.55Å; G128-G131 VanDerWaalsContact CA-O 3.27Å; G128-G131 WeakPolarHBondContact CA-O 3.32Å; G128-G131 PolarHBondContact N-O 2.8Å |
| 129 | T | 92.1 | Very high | 95.5 | Very high | 74 Ų | 74 | 66.2 Ų | 66.2 | 45% | 0.454 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.5 | -24.4 | -176 | 55.1 | 0 | 0 | 0 | 0 | 113.5 | V56 F105 | V56-T129 HydrophobicContact CG1-CG2 3.31Å; F105-T129 HydrophobicContact CD2-CG2 4.45Å; F105-T129 HydrophobicContact CE2-CG2 3.73Å; F105-T129 HydrophobicContact CZ-CG2 4.31Å |
| 130 | Q | 90.4 | Very high | 95.5 | Very high | 195 Ų | 195 | 68.5 Ų | 68.5 | 91% | 0.911 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.9 | 23.2 | -178.2 | -63.9 | -169.7 | -16.3 | 0 | 0 | 112.4 | ||
| 131 | G | 93.8 | Very high | 95.5 | Very high | 21 Ų | 21 | 67.3 Ų | 67.3 | 22% | 0.216 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 108.4 | -164.9 | -171.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | C86 G128 | C86-G131 WeakPolarHBondContact SG-CA 3.34Å; G128-G131 CarbonylContact C-O 3.55Å; G128-G131 VanDerWaalsContact CA-O 3.27Å; G128-G131 WeakPolarHBondContact CA-O 3.32Å; G128-G131 PolarHBondContact N-O 2.8Å |
| 132 | W | 96.5 | Very high | 95.4 | Very high | 39 Ų | 39 | 64.4 Ų | 64.4 | 15% | 0.148 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.9 | 132.3 | -179.2 | -63.7 | 105 | 0 | 0 | 0 | 112.1 | C86 G87 L89 Y99 T103 A109 I125 C127 D134 | C86-W132 HydrophobicContact CB-CD2 3.99Å; C86-W132 HydrophobicContact CB-CG 4.11Å; C86-W132 HydrophobicContact CB-CZ2 4.09Å; C86-W132 PolarHBondContact O-NE1 3.42Å; G87-W132 WeakPolarHBondContact O-CZ2 3.35Å; G87-W132 PolarHBondContact O-NE1 3.45Å; L89-W132 HydrophobicContact CB-CD2 4.28Å; L89-W132 HydrophobicContact CB-CG 4.27Å; L89-W132 HydrophobicContact CD1-CB 3.4Å; L89-W132 VanDerWaalsContact CD1-CD1 3.49Å; L89-W132 HydrophobicContact CD1-CD2 3.92Å; L89-W132 HydrophobicContact CD1-CG 3.3Å; L89-W132 HydrophobicContact CG-CG 4.28Å; Y99-W132 AromaticContact CD1-CH2 3.86Å; Y99-W132 HydrophobicContact CD1-CH2 3.86Å; Y99-W132 AromaticContact CD1-CZ2 3.91Å; Y99-W132 HydrophobicContact CD1-CZ2 3.91Å; Y99-W132 AromaticContact CE1-CH2 3.85Å; Y99-W132 HydrophobicContact CE1-CH2 3.85Å; Y99-W132 AromaticContact CE1-CZ2 3.53Å; Y99-W132 HydrophobicContact CE1-CZ2 3.53Å; T103-W132 HydrophobicContact CG2-CH2 4.47Å; T103-W132 HydrophobicContact CG2-CZ2 3.99Å; A109-W132 HydrophobicContact CB-CE3 4.24Å; A109-W132 HydrophobicContact CB-CH2 3.75Å; A109-W132 HydrophobicContact CB-CZ2 4.37Å; A109-W132 HydrophobicContact CB-CZ3 3.68Å; I125-W132 HydrophobicContact CB-CE3 4.43Å; I125-W132 HydrophobicContact CG2-CB 3.91Å; I125-W132 HydrophobicContact CG2-CE3 4.06Å; I125-W132 VanDerWaalsContact O-CZ3 3.26Å; I125-W132 WeakPolarHBondContact O-CZ3 3.45Å; C127-W132 HydrophobicContact CB-CD2 4.5Å; C127-W132 HydrophobicContact CB-CE3 3.99Å; C127-W132 HydrophobicContact CB-CH2 4.12Å; C127-W132 HydrophobicContact CB-CZ3 3.77Å; W132-D134 PolarHBondContact O-N 2.92Å |
| 133 | L | 96 | Very high | 95.4 | Very high | 111 Ų | 111 | 63.9 Ų | 63.9 | 58% | 0.581 | 32% | 0.324 | S | S | * | . | S | Bend | trans | -73.6 | -10.5 | -171.4 | -68.3 | -178.9 | 0 | 0 | 0 | 114.8 | T126 | T126-L133 HydrophobicContact CG2-CD1 4.36Å; T126-L133 WeakPolarHBondContact O-CG 3.36Å; T126-L133 PolarHBondContact O-N 2.74Å |
| 134 | D | 95 | Very high | 95.3 | Very high | 60 Ų | 60 | 61 Ų | 61 | 32% | 0.321 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -138.9 | 163.9 | 179.4 | -71.6 | -78.7 | 0 | 0 | 0 | 110.9 | K122 I125 W132 | K122-D134 HydrophobicContact CD-CB 4.29Å; K122-D134 WeakPolarHBondContact CD-OD2 3.42Å; K122-D134 IonicContact NZ-OD1 3.69Å; K122-D134 PolarHBondContact NZ-OD1 3.22Å; K122-D134 IonicContact NZ-OD2 2.7Å; K122-D134 PolarHBondContact NZ-OD2 2.79Å; I125-D134 HydrophobicContact CB-CB 4.44Å; I125-D134 HydrophobicContact CD1-CB 3.85Å; I125-D134 HydrophobicContact CG1-CB 4Å; I125-D134 HydrophobicContact CG2-CB 3.77Å; W132-D134 PolarHBondContact O-N 2.92Å |
| 135 | R | 92.8 | Very high | 95.2 | Very high | 230 Ų | 230 | 63.9 Ų | 63.9 | 87% | 0.868 | 32% | 0.321 | S | S | * | . | P | Polyproline II helix | trans | -84.8 | 155.5 | 174 | -62.5 | -176.1 | -179.1 | -179.7 | 0.2 | 110.8 | I125 | I125-R135 WeakPolarHBondContact CD1-O 3.27Š|
| 136 | L | 95.4 | Very high | 95.1 | Very high | 61 Ų | 61 | 68.3 Ų | 68.3 | 32% | 0.319 | 34% | 0.342 | S | S | . | . | P | Polyproline II helix | trans | -53.9 | 132.1 | 173.9 | -77.3 | 176 | 0 | 0 | 0 | 111.4 | L89 E91 V92 V97 | L89-L136 HydrophobicContact CB-CD2 4.45Å; L89-L136 HydrophobicContact CD1-CD2 4.4Å; L89-L136 HydrophobicContact CD2-CD2 3.55Å; L89-L136 HydrophobicContact CG-CD2 3.48Å; L89-L136 VanDerWaalsContact CG-CD2 3.48Å; L89-L136 HydrophobicContact CG-CG 4.04Å; L89-L136 WeakPolarHBondContact O-CD1 3.23Å; E91-L136 WeakPolarHBondContact O-CD1 3.47Å; V92-L136 HydrophobicContact CG2-CB 4.46Å; V92-L136 HydrophobicContact CG2-CD1 4.42Å; V92-L136 HydrophobicContact CG2-CD2 3.58Å; V92-L136 HydrophobicContact CG2-CG 4.39Å; V97-L136 HydrophobicContact CG2-CD2 4.23Å |
| 137 | P | 96.9 | Very high | 95 | Very high | 13 Ų | 13 | 66.8 Ų | 66.8 | 8% | 0.084 | 33% | 0.333 | C | S | . | . | P | Polyproline II helix | trans | -73.5 | 173.8 | 173.3 | 35.7 | -39 | 0 | 0 | 0 | 110.7 | I111 L119 V120 K122 | I111-P137 HydrophobicContact CB-CG 4.01Å; I111-P137 HydrophobicContact CD1-CG 4.44Å; I111-P137 HydrophobicContact CG1-CG 3.98Å; I111-P137 HydrophobicContact CG2-CG 3.71Å; L119-P137 HydrophobicContact CD1-CB 3.78Å; L119-P137 HydrophobicContact CD1-CG 3.64Å; V120-P137 WeakPolarHBondContact O-CB 3.48Å; K122-P137 WeakPolarHBondContact O-CG 3.5Å |
| 138 | T | 97 | Very high | 94.6 | Very high | 80 Ų | 80 | 71 Ų | 71 | 49% | 0.491 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 138.4 | 176 | -55.6 | 0 | 0 | 0 | 0 | 110.5 | V120 E140 | V120-T138 PolarHBondContact N-O 3.32Å; V120-T138 PolarHBondContact O-N 2.97Å; V120-T138 VanDerWaalsContact O-N 3.08Å; T138-E140 HydrophobicContact CG2-CG 3.95Å |
| 139 | C | 96.8 | Very high | 94.5 | Very high | 8 Ų | 8 | 73.8 Ų | 73.8 | 5% | 0.054 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 103.7 | 168.5 | -69.6 | 0 | 0 | 0 | 0 | 108.9 | V92 P93 N94 C113 Y117 K118 | V92-C139 HydrophobicContact CG1-CB 4.39Å; P93-C139 WeakPolarHBondContact O-CB 3.44Å; N94-C139 HydrophobicContact CB-CB 4.28Å; C113-C139 WeakPolarHBondContact CA-SG 3.4Å; C113-C139 HydrophobicContact CB-CB 3.79Å; C113-C139 WeakPolarHBondContact CB-SG 2.9Å; C113-C139 VanDerWaalsContact SG-CA 3.52Å; C113-C139 WeakPolarHBondContact SG-CB 3.23Å; C113-C139 CovalentContact SG-SG 2.04Å; C113-C139 PolarHBondContact SG-SG 3.23Å; Y117-C139 WeakPolarHBondContact CD1-O 3.09Å; K118-C139 WeakPolarHBondContact O-CA 3.04Å |
| 140 | E | 94.9 | Very high | 94.7 | Very high | 108 Ų | 108 | 71.4 Ų | 71.4 | 51% | 0.505 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 140 | -179.6 | -66.3 | -172 | 179.1 | 0 | 0 | 110.7 | Y117 K118 V120 T138 A142 | Y117-E140 CarbonylContact C-O 3.53Å; Y117-E140 VanDerWaalsContact CA-O 3.23Å; Y117-E140 WeakPolarHBondContact CA-O 3.05Å; K118-E140 PolarHBondContact N-O 2.96Å; K118-E140 PolarHBondContact O-N 3.03Å; V120-E140 HydrophobicContact CG2-CB 4.22Å; V120-E140 HydrophobicContact CG2-CG 3.87Å; T138-E140 HydrophobicContact CG2-CG 3.95Å; E140-A142 PolarHBondContact O-N 2.04Å |
| 141 | V | 94.8 | Very high | 95 | Very high | 46 Ų | 46 | 65.8 Ų | 65.8 | 28% | 0.279 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.7 | 137.7 | 178.9 | 64.9 | 0 | 0 | 0 | 0 | 110.4 | Y117 K143 T163 | Y117-V141 HydrophobicContact CD1-CB 4.07Å; Y117-V141 HydrophobicContact CE1-CB 3.82Å; Y117-V141 HydrophobicContact CE1-CG2 4.36Å; V141-K143 HydrophobicContact CG1-CG 4.24Å; V141-K143 PolarHBondContact O-N 2.77Å; V141-T163 HydrophobicContact CG1-CG2 4.08Å; V141-T163 HydrophobicContact CG2-CG2 4.32Å |
| 142 | A | 93.2 | Very high | 95.1 | Very high | 1 Ų | 1 | 68 Ų | 68 | 1% | 0.008 | 37% | 0.369 | C | S | . | . | P | Polyproline II helix | trans | -61.8 | 133.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | G116 E140 T163 Y164 N190 | G116-A142 WeakPolarHBondContact O-CB 3.35Å; G116-A142 PolarHBondContact O-N 3.47Å; E140-A142 PolarHBondContact O-N 2.04Å; A142-T163 CarbonylContact O-C 3.45Å; A142-T163 WeakPolarHBondContact O-CA 3.42Å; A142-Y164 PolarHBondContact O-N 3.04Å; A142-N190 WeakPolarHBondContact CB-OD1 3.49Å |
| 143 | K | 94.8 | Very high | 95.1 | Very high | 103 Ų | 103 | 66.8 Ų | 66.8 | 45% | 0.448 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 122.6 | -176.6 | -70.9 | 179.5 | 172.9 | -145.7 | 0 | 109.9 | V141 D161 Y162 N190 | V141-K143 HydrophobicContact CG1-CG 4.24Å; V141-K143 PolarHBondContact O-N 2.77Å; K143-D161 HydrophobicContact CD-CB 4.49Å; K143-D161 WeakPolarHBondContact CD-OD2 3.42Å; K143-D161 WeakPolarHBondContact CE-OD2 3.34Å; K143-D161 IonicContact NZ-OD2 2.67Å; K143-D161 PolarHBondContact NZ-OD2 3.02Å; K143-Y162 CarbonylContact C-O 3.54Å; K143-Y162 VanDerWaalsContact CA-O 3.27Å; K143-Y162 WeakPolarHBondContact CA-O 3.4Å; K143-N190 PolarHBondContact N-OD1 2.94Å; K143-N190 VanDerWaalsContact O-CB 3.23Å; K143-N190 WeakPolarHBondContact O-CB 3.35Å |
| 144 | C | 95.3 | Very high | 95.2 | Very high | 1 Ų | 1 | 67.4 Ų | 67.4 | 1% | 0.007 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 137 | 170.5 | -58.6 | 0 | 0 | 0 | 0 | 109.4 | D161 Y162 C186 T191 F192 | C144-D161 WeakPolarHBondContact O-CA 3.5Å; C144-Y162 PolarHBondContact N-O 2.85Å; C144-Y162 PolarHBondContact O-N 3.25Å; C144-C186 HydrophobicContact CB-CB 3.79Å; C144-C186 WeakPolarHBondContact CB-SG 3.5Å; C144-C186 PolarHBondContact N-SG 3.48Å; C144-C186 WeakPolarHBondContact SG-CA 3.21Å; C144-C186 WeakPolarHBondContact SG-CB 3.44Å; C144-C186 CovalentContact SG-SG 2.03Å; C144-C186 PolarHBondContact SG-SG 2.83Å; C144-T191 PolarHBondContact SG-N 3.16Å; C144-F192 HydrophobicContact CB-CD2 3.82Å; C144-F192 HydrophobicContact CB-CE2 3.49Å; C144-F192 VanDerWaalsContact CB-CE2 3.49Å; C144-F192 HydrophobicContact CB-CZ 3.98Å |
| 145 | L | 95.7 | Very high | 95.3 | Very high | 142 Ų | 142 | 65.1 Ų | 65.1 | 74% | 0.743 | 36% | 0.358 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69 | 154.4 | 169.2 | -63.5 | 178.3 | 0 | 0 | 0 | 110.1 | F192 | L145-F192 VanDerWaalsContact O-CE2 3.32Å; L145-F192 WeakPolarHBondContact O-CE2 3.43Å |
| 146 | Q | 95.6 | Very high | 95.5 | Very high | 94 Ų | 94 | 58 Ų | 58 | 44% | 0.439 | 34% | 0.343 | S | S | . | . | trans | -44.4 | 126.2 | 175 | -167.7 | -178.6 | -58.8 | 0 | 0 | 112.2 | F155 K159 E160 Y162 | Q146-F155 HydrophobicContact CG-CE2 4.16Å; Q146-F155 HydrophobicContact CG-CZ 3.69Å; Q146-K159 WeakPolarHBondContact CB-O 3.46Å; Q146-K159 WeakPolarHBondContact CG-O 3.02Å; Q146-K159 PolarHBondContact OE1-O 3.23Å; Q146-K159 VanDerWaalsContact OE1-O 3.14Å; Q146-E160 PolarHBondContact N-O 3.39Å; Q146-E160 VanDerWaalsContact N-O 3.1Å; Q146-Y162 HydrophobicContact CB-CE2 4.36Å; Q146-Y162 HydrophobicContact CG-CE2 4.35Å | ||
| 147 | P | 94.3 | Very high | 95.5 | Very high | 11 Ų | 11 | 57.6 Ų | 57.6 | 7% | 0.071 | 34% | 0.344 | C | S | . | . | P | Polyproline II helix | trans | -71.1 | 157.4 | -178.3 | 32.1 | -35.1 | 0 | 0 | 0 | 110.7 | G149 F155 V168 Y170 I184 F192 | P147-G149 PolarHBondContact O-N 2.99Å; P147-F155 HydrophobicContact CG-CD2 4.36Å; P147-F155 HydrophobicContact CG-CE1 4.49Å; P147-F155 HydrophobicContact CG-CE2 4.08Å; P147-F155 HydrophobicContact CG-CZ 4.16Å; P147-V168 HydrophobicContact CG-CB 4.48Å; P147-V168 HydrophobicContact CG-CG1 4.12Å; P147-V168 HydrophobicContact CG-CG2 4.25Å; P147-Y170 WeakPolarHBondContact CB-OH 3.41Å; P147-I184 HydrophobicContact CB-CD1 3.66Å; P147-I184 HydrophobicContact CG-CD1 3.97Å; P147-F192 HydrophobicContact CB-CD2 3.84Å; P147-F192 HydrophobicContact CB-CE2 4.04Å; P147-F192 HydrophobicContact CB-CG 4.46Å; P147-F192 HydrophobicContact CG-CD2 4.29Å; P147-F192 HydrophobicContact CG-CE2 4.01Å; P147-F192 HydrophobicContact CG-CZ 4.41Å |
| 148 | S | 90.5 | Very high | 95.5 | Very high | 89 Ų | 89 | 63.5 Ų | 63.5 | 62% | 0.622 | 37% | 0.37 | S | S | * | . | P | Polyproline II helix | trans | -61.2 | 134.1 | 178.4 | -48.2 | 0 | 0 | 0 | 0 | 111.3 | Y170 | S148-Y170 PolarHBondContact O-OH 2.54Š|
| 149 | G | 92.2 | Very high | 95.4 | Very high | 62 Ų | 62 | 63.4 Ų | 63.4 | 64% | 0.639 | 36% | 0.363 | S | S | * | . | P | Polyproline II helix | trans | -62 | 155.8 | 167.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | P147 | P147-G149 PolarHBondContact O-N 2.99Š|
| 150 | I | 96.1 | Very high | 95.3 | Very high | 25 Ų | 25 | 71 Ų | 71 | 13% | 0.128 | 40% | 0.398 | C | S | . | . | trans | -113.8 | 143.4 | 178.7 | 63.7 | 171.8 | 0 | 0 | 0 | 109.9 | G153 Y170 P196 P197 C199 | I150-G153 PolarHBondContact O-N 2.87Å; I150-Y170 HydrophobicContact CB-CE1 4.5Å; I150-Y170 HydrophobicContact CD1-CD1 3.48Å; I150-Y170 VanDerWaalsContact CD1-CD1 3.48Å; I150-Y170 HydrophobicContact CD1-CE1 4.25Å; I150-Y170 HydrophobicContact CD1-CG 4.22Å; I150-Y170 HydrophobicContact CG1-CD1 3.76Å; I150-Y170 HydrophobicContact CG1-CE1 4.14Å; I150-Y170 HydrophobicContact CG2-CD1 4.02Å; I150-Y170 HydrophobicContact CG2-CE1 3.68Å; I150-P196 HydrophobicContact CG2-CB 4.07Å; I150-P197 HydrophobicContact CD1-CG 4.31Å; I150-P197 VanDerWaalsContact CG2-O 3.23Å; I150-P197 WeakPolarHBondContact CG2-O 3.06Å; I150-C199 WeakPolarHBondContact CD1-SG 3.48Å | ||
| 151 | A | 96.8 | Very high | 95.3 | Very high | 77 Ų | 77 | 68.8 Ų | 68.8 | 64% | 0.636 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | 138.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | G153 C199 | A151-G153 PolarHBondContact O-N 3.38Å; A151-C199 WeakPolarHBondContact O-CB 3.47Å |
| 152 | N | 97.1 | Very high | 95.4 | Very high | 67 Ų | 67 | 66.6 Ų | 66.6 | 36% | 0.358 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.2 | 32.6 | -177.2 | -53.6 | -60.2 | 0 | 0 | 0 | 114.1 | N173 Y176 C199 | N152-N173 VanDerWaalsContact C-CG 3.46Å; N152-N173 WeakPolarHBondContact CA-ND2 3.45Å; N152-N173 WeakPolarHBondContact O-CB 3.37Å; N152-N173 PolarHBondContact O-N 2.91Å; N152-Y176 HydrophobicContact CB-CD1 3.71Å; N152-Y176 HydrophobicContact CB-CD2 3.91Å; N152-Y176 HydrophobicContact CB-CE1 3.65Å; N152-Y176 HydrophobicContact CB-CE2 3.85Å; N152-Y176 HydrophobicContact CB-CG 3.85Å; N152-Y176 WeakPolarHBondContact ND2-CE1 3.47Å; N152-C199 HydrophobicContact CB-CB 4.28Å; N152-C199 WeakPolarHBondContact O-CB 3.42Å |
| 153 | G | 96.8 | Very high | 95.6 | Very high | 14 Ų | 14 | 68.9 Ų | 68.9 | 14% | 0.144 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.7 | 176.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | I150 A151 S171 | I150-G153 PolarHBondContact O-N 2.87Å; A151-G153 PolarHBondContact O-N 3.38Å; G153-S171 CarbonylContact C-O 3.6Å; G153-S171 WeakPolarHBondContact CA-O 3.47Å |
| 154 | M | 96.9 | Very high | 95.6 | Very high | 124 Ų | 124 | 66.2 Ų | 66.2 | 61% | 0.611 | 38% | 0.378 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 170 | 178.2 | -62.6 | -169.8 | -64.9 | 0 | 0 | 109.2 | Y170 S171 | M154-Y170 WeakPolarHBondContact O-CA 3.41Å; M154-S171 PolarHBondContact N-O 2.72Å; M154-S171 PolarHBondContact O-N 3.24Å |
| 155 | F | 97.5 | Very high | 95.6 | Very high | 12 Ų | 12 | 74.1 Ų | 74.1 | 5% | 0.053 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 157.3 | 171.3 | 68.5 | -97 | 0 | 0 | 0 | 111.4 | Q146 P147 Q158 Y162 V168 E169 Y170 | Q146-F155 HydrophobicContact CG-CE2 4.16Å; Q146-F155 HydrophobicContact CG-CZ 3.69Å; P147-F155 HydrophobicContact CG-CD2 4.36Å; P147-F155 HydrophobicContact CG-CE1 4.49Å; P147-F155 HydrophobicContact CG-CE2 4.08Å; P147-F155 HydrophobicContact CG-CZ 4.16Å; F155-Q158 HydrophobicContact CD2-CG 4.25Å; F155-Q158 HydrophobicContact CE2-CB 4.46Å; F155-Q158 HydrophobicContact CE2-CG 3.85Å; F155-Q158 HydrophobicContact CZ-CG 4.28Å; F155-Y162 WeakPolarHBondContact CE2-OH 3.38Å; F155-V168 HydrophobicContact CB-CG1 3.58Å; F155-V168 HydrophobicContact CD2-CG1 3.43Å; F155-V168 VanDerWaalsContact CD2-CG1 3.43Å; F155-V168 HydrophobicContact CE2-CG1 4.36Å; F155-V168 HydrophobicContact CG-CG1 3.75Å; F155-E169 CarbonylContact C-O 3.59Å; F155-E169 WeakPolarHBondContact CA-O 3.33Å; F155-E169 WeakPolarHBondContact CB-O 3.36Å; F155-Y170 HydrophobicContact CB-CD1 3.69Å; F155-Y170 HydrophobicContact CB-CD2 4.36Å; F155-Y170 HydrophobicContact CB-CE1 3.72Å; F155-Y170 HydrophobicContact CB-CE2 4.34Å; F155-Y170 HydrophobicContact CB-CG 4.04Å; F155-Y170 AromaticContact CD1-CE1 3.85Å; F155-Y170 HydrophobicContact CD1-CE1 3.85Å; F155-Y170 HydrophobicContact CG-CE1 4.12Å |
| 156 | S | 96.7 | Very high | 95.7 | Very high | 80 Ų | 80 | 70 Ų | 70 | 56% | 0.559 | 38% | 0.384 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 146.3 | 178.8 | -174.5 | 0 | 0 | 0 | 0 | 110.5 | E169 | S156-E169 PolarHBondContact N-O 3.45Å; S156-E169 PolarHBondContact O-N 2.93Å |
| 157 | P | 96.8 | Very high | 95.8 | Very high | 52 Ų | 52 | 68.4 Ų | 68.4 | 34% | 0.338 | 38% | 0.381 | S | S | . | . | S | Bend | cis | -72.5 | 158 | -6.1 | 29.8 | -31.6 | 0 | 0 | 0 | 111.7 | Y162 | P157-Y162 HydrophobicContact CG-CE1 4.15Å; P157-Y162 PolarHBondContact O-OH 3.18Å |
| 158 | Q | 95.4 | Very high | 96 | Very high | 138 Ų | 138 | 67.9 Ų | 67.9 | 65% | 0.645 | 38% | 0.377 | S | S | * | . | trans | -96.9 | 117.6 | 169.9 | -66.4 | -159.6 | -51.9 | 0 | 0 | 109.9 | F155 Y162 | F155-Q158 HydrophobicContact CD2-CG 4.25Å; F155-Q158 HydrophobicContact CE2-CB 4.46Å; F155-Q158 HydrophobicContact CE2-CG 3.85Å; F155-Q158 HydrophobicContact CZ-CG 4.28Å; Q158-Y162 WeakPolarHBondContact CA-OH 3.31Å | ||
| 159 | K | 95.9 | Very high | 96.4 | Very high | 77 Ų | 77 | 67.1 Ų | 67.1 | 34% | 0.335 | 36% | 0.364 | S | S | . | . | trans | -140.4 | 157 | 178.3 | -55.8 | -178.8 | -173.1 | 174.9 | 0 | 109.2 | Q146 D161 Y162 E166 | Q146-K159 WeakPolarHBondContact CB-O 3.46Å; Q146-K159 WeakPolarHBondContact CG-O 3.02Å; Q146-K159 PolarHBondContact OE1-O 3.23Å; Q146-K159 VanDerWaalsContact OE1-O 3.14Å; K159-D161 WeakPolarHBondContact CB-O 3.32Å; K159-Y162 HydrophobicContact CB-CD2 4.46Å; K159-Y162 HydrophobicContact CB-CE1 4.14Å; K159-Y162 HydrophobicContact CB-CE2 3.94Å; K159-Y162 HydrophobicContact CD-CD1 4.22Å; K159-Y162 HydrophobicContact CD-CE1 4.14Å; K159-Y162 HydrophobicContact CG-CE1 4.16Å; K159-Y162 PolarHBondContact N-OH 2.93Å; K159-Y162 VanDerWaalsContact O-CE2 3.25Å; K159-Y162 WeakPolarHBondContact O-CE2 3.28Å; K159-E166 IonicContact NZ-OE1 2.78Å; K159-E166 PolarHBondContact NZ-OE1 3.32Å; K159-E166 IonicContact NZ-OE2 3.69Å; K159-E166 PolarHBondContact NZ-OE2 3.36Å | ||
| 160 | E | 94.5 | Very high | 96.6 | Very high | 167 Ų | 167 | 64.2 Ų | 64.2 | 78% | 0.78 | 33% | 0.334 | S | S | * | . | S | Bend | trans | -68.9 | -41.9 | 173 | -64.4 | -176.3 | 175.8 | 0 | 0 | 111.4 | Q146 | Q146-E160 PolarHBondContact N-O 3.39Å; Q146-E160 VanDerWaalsContact N-O 3.1Å |
| 161 | D | 95.4 | Very high | 96.7 | Very high | 63 Ų | 63 | 65.7 Ų | 65.7 | 34% | 0.337 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 149.7 | 177.4 | 65.8 | -43.6 | 0 | 0 | 0 | 113 | K143 C144 K159 | K143-D161 HydrophobicContact CD-CB 4.49Å; K143-D161 WeakPolarHBondContact CD-OD2 3.42Å; K143-D161 WeakPolarHBondContact CE-OD2 3.34Å; K143-D161 IonicContact NZ-OD2 2.67Å; K143-D161 PolarHBondContact NZ-OD2 3.02Å; C144-D161 WeakPolarHBondContact O-CA 3.5Å; K159-D161 WeakPolarHBondContact CB-O 3.32Å |
| 162 | Y | 96.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 129.6 | 178.7 | -63 | -101.5 | 0 | 0 | 0 | 109.2 | K143 C144 Q146 F155 P157 Q158 K159 E166 V168 C186 F192 | K143-Y162 CarbonylContact C-O 3.54Å; K143-Y162 VanDerWaalsContact CA-O 3.27Å; K143-Y162 WeakPolarHBondContact CA-O 3.4Å; C144-Y162 PolarHBondContact N-O 2.85Å; C144-Y162 PolarHBondContact O-N 3.25Å; Q146-Y162 HydrophobicContact CB-CE2 4.36Å; Q146-Y162 HydrophobicContact CG-CE2 4.35Å; F155-Y162 WeakPolarHBondContact CE2-OH 3.38Å; P157-Y162 HydrophobicContact CG-CE1 4.15Å; P157-Y162 PolarHBondContact O-OH 3.18Å; Q158-Y162 WeakPolarHBondContact CA-OH 3.31Å; K159-Y162 HydrophobicContact CB-CD2 4.46Å; K159-Y162 HydrophobicContact CB-CE1 4.14Å; K159-Y162 HydrophobicContact CB-CE2 3.94Å; K159-Y162 HydrophobicContact CD-CD1 4.22Å; K159-Y162 HydrophobicContact CD-CE1 4.14Å; K159-Y162 HydrophobicContact CG-CE1 4.16Å; K159-Y162 PolarHBondContact N-OH 2.93Å; K159-Y162 VanDerWaalsContact O-CE2 3.25Å; K159-Y162 WeakPolarHBondContact O-CE2 3.28Å; Y162-E166 WeakPolarHBondContact CA-OE2 3.47Å; Y162-E166 HydrophobicContact CD1-CB 4.3Å; Y162-V168 HydrophobicContact CD1-CG2 3.71Å; Y162-V168 HydrophobicContact CE1-CG2 3.21Å; Y162-V168 HydrophobicContact CE2-CG2 4.44Å; Y162-V168 HydrophobicContact CG-CG2 4.47Å; Y162-C186 PolarHBondContact O-SG 2.85Å; Y162-C186 VanDerWaalsContact O-SG 3.39Å; Y162-F192 HydrophobicContact CD1-CZ 4.07Å; Y162-F192 HydrophobicContact CD2-CE2 4.02Å; Y162-F192 AromaticContact CD2-CZ 3.68Å; Y162-F192 HydrophobicContact CD2-CZ 3.68Å; Y162-F192 HydrophobicContact CE2-CZ 4.32Å; Y162-F192 HydrophobicContact CG-CE1 4.49Å; Y162-F192 HydrophobicContact CG-CE2 4.31Å; Y162-F192 AromaticContact CG-CZ 3.54Å; Y162-F192 HydrophobicContact CG-CZ 3.54Å |
| 163 | T | 96.3 | Very high | 96.7 | Very high | 49 Ų | 49 | 63.6 Ų | 63.6 | 30% | 0.301 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 163.4 | 179.4 | 55.2 | 0 | 0 | 0 | 0 | 111.5 | V141 A142 R165 E166 C186 | V141-T163 HydrophobicContact CG1-CG2 4.08Å; V141-T163 HydrophobicContact CG2-CG2 4.32Å; A142-T163 CarbonylContact O-C 3.45Å; A142-T163 WeakPolarHBondContact O-CA 3.42Å; T163-R165 PolarHBondContact O-N 2.03Å; T163-E166 PolarHBondContact N-OE2 2.64Å; T163-E166 VanDerWaalsContact O-CB 3.28Å; T163-E166 WeakPolarHBondContact O-CB 3.01Å; T163-E166 WeakPolarHBondContact O-CG 3.45Å; T163-E166 PolarHBondContact O-N 3.48Å; T163-E166 WeakPolarHBondContact OG1-CG 3.34Å; T163-C186 WeakPolarHBondContact O-CB 3.35Å |
| 164 | Y | 95.8 | Very high | 96.6 | Very high | 46 Ų | 46 | 71.3 Ų | 71.3 | 18% | 0.18 | 36% | 0.356 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -46.1 | 130.7 | 178.1 | 178.4 | -118.5 | 0 | 0 | 0 | 112.5 | T115 G116 A142 E166 E188 | T115-Y164 HydrophobicContact CG2-CE1 4.31Å; G116-Y164 VanDerWaalsContact CA-CD1 3.43Å; G116-Y164 VanDerWaalsContact CA-CG 3.45Å; A142-Y164 PolarHBondContact O-N 3.04Å; Y164-E166 PolarHBondContact O-N 3.08Å; Y164-E188 HydrophobicContact CD2-CB 4.4Å; Y164-E188 HydrophobicContact CE2-CB 4.15Å |
| 165 | R | 95.8 | Very high | 96.3 | Very high | 168 Ų | 168 | 69.1 Ų | 69.1 | 63% | 0.634 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.1 | 6 | -175.5 | -60.7 | -178.2 | 177.8 | -151.8 | 0.4 | 116.6 | T163 T185 C186 | T163-R165 PolarHBondContact O-N 2.03Å; R165-T185 HydrophobicContact CB-CG2 4.5Å; R165-C186 PolarHBondContact N-O 3.32Å |
| 166 | E | 97.4 | Very high | 96.2 | Very high | 55 Ų | 55 | 72 Ų | 72 | 26% | 0.257 | 36% | 0.358 | S | S | . | . | trans | -64.7 | 141.4 | 166 | -73.1 | -161.5 | 149.7 | 0 | 0 | 110.7 | K159 Y162 T163 Y164 T185 C186 | K159-E166 IonicContact NZ-OE1 2.78Å; K159-E166 PolarHBondContact NZ-OE1 3.32Å; K159-E166 IonicContact NZ-OE2 3.69Å; K159-E166 PolarHBondContact NZ-OE2 3.36Å; Y162-E166 WeakPolarHBondContact CA-OE2 3.47Å; Y162-E166 HydrophobicContact CD1-CB 4.3Å; T163-E166 PolarHBondContact N-OE2 2.64Å; T163-E166 VanDerWaalsContact O-CB 3.28Å; T163-E166 WeakPolarHBondContact O-CB 3.01Å; T163-E166 WeakPolarHBondContact O-CG 3.45Å; T163-E166 PolarHBondContact O-N 3.48Å; T163-E166 WeakPolarHBondContact OG1-CG 3.34Å; Y164-E166 PolarHBondContact O-N 3.08Å; E166-T185 WeakPolarHBondContact O-CA 3.42Å; E166-C186 PolarHBondContact O-N 3Å | ||
| 167 | V | 97.6 | Very high | 96.2 | Very high | 60 Ų | 60 | 69.4 Ų | 69.4 | 36% | 0.364 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 135.4 | -175.5 | 179.7 | 0 | 0 | 0 | 0 | 109.4 | Q183 I184 T185 | V167-Q183 HydrophobicContact CG1-CB 3.83Å; V167-Q183 HydrophobicContact CG1-CG 4Å; V167-I184 WeakPolarHBondContact CA-O 3Å; V167-T185 HydrophobicContact CG2-CG2 4.33Å |
| 168 | V | 97.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 69.2 Ų | 69.2 | 0% | 0 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 131 | 169.3 | 171.5 | 0 | 0 | 0 | 0 | 108.5 | P147 F155 Y162 Y170 Q183 I184 F192 | P147-V168 HydrophobicContact CG-CB 4.48Å; P147-V168 HydrophobicContact CG-CG1 4.12Å; P147-V168 HydrophobicContact CG-CG2 4.25Å; F155-V168 HydrophobicContact CB-CG1 3.58Å; F155-V168 HydrophobicContact CD2-CG1 3.43Å; F155-V168 VanDerWaalsContact CD2-CG1 3.43Å; F155-V168 HydrophobicContact CE2-CG1 4.36Å; F155-V168 HydrophobicContact CG-CG1 3.75Å; Y162-V168 HydrophobicContact CD1-CG2 3.71Å; Y162-V168 HydrophobicContact CE1-CG2 3.21Å; Y162-V168 HydrophobicContact CE2-CG2 4.44Å; Y162-V168 HydrophobicContact CG-CG2 4.47Å; V168-Y170 HydrophobicContact CG1-CD2 4.47Å; V168-Y170 HydrophobicContact CG1-CE2 4.03Å; V168-Q183 WeakPolarHBondContact O-CA 3.43Å; V168-I184 HydrophobicContact CB-CD1 4.33Å; V168-I184 HydrophobicContact CB-CG1 3.85Å; V168-I184 HydrophobicContact CG1-CG1 4.4Å; V168-I184 PolarHBondContact N-O 3.32Å; V168-I184 PolarHBondContact O-N 3.1Å; V168-F192 HydrophobicContact CB-CE1 4.37Å; V168-F192 HydrophobicContact CG2-CE1 3.88Å; V168-F192 HydrophobicContact CG2-CZ 3.86Å |
| 169 | E | 98.1 | Very high | 96.3 | Very high | 73 Ų | 73 | 66.2 Ų | 66.2 | 34% | 0.341 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 128.9 | 177.8 | -170.2 | 168.8 | -132.4 | 0 | 0 | 111 | F155 S156 K182 Q183 | F155-E169 CarbonylContact C-O 3.59Å; F155-E169 WeakPolarHBondContact CA-O 3.33Å; F155-E169 WeakPolarHBondContact CB-O 3.36Å; S156-E169 PolarHBondContact N-O 3.45Å; S156-E169 PolarHBondContact O-N 2.93Å; E169-K182 WeakPolarHBondContact CA-O 3.1Å; E169-K182 VanDerWaalsContact CD-CE 3.5Å; E169-K182 HydrophobicContact CG-CD 4.15Å; E169-K182 HydrophobicContact CG-CG 3.99Å; E169-K182 VanDerWaalsContact OE1-CD 3.27Å; E169-K182 WeakPolarHBondContact OE1-CD 3.42Å; E169-K182 WeakPolarHBondContact OE1-CE 3.37Å; E169-K182 IonicContact OE1-NZ 3.85Å; E169-K182 PolarHBondContact OE1-NZ 2.89Å; E169-K182 IonicContact OE2-NZ 3.14Å; E169-Q183 HydrophobicContact CB-CG 4.15Å; E169-Q183 HydrophobicContact CG-CG 3.94Å; E169-Q183 PolarHBondContact OE1-NE2 3.06Å; E169-Q183 VanDerWaalsContact OE1-NE2 3.12Å |
| 170 | Y | 98.1 | Very high | 96.3 | Very high | 1 Ų | 1 | 65.1 Ų | 65.1 | 0% | 0.004 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 146.5 | 176 | -73.1 | -94.3 | 0 | 0 | 0 | 111.8 | P147 S148 I150 M154 F155 V168 K182 I184 P196 P197 | P147-Y170 WeakPolarHBondContact CB-OH 3.41Å; S148-Y170 PolarHBondContact O-OH 2.54Å; I150-Y170 HydrophobicContact CB-CE1 4.5Å; I150-Y170 HydrophobicContact CD1-CD1 3.48Å; I150-Y170 VanDerWaalsContact CD1-CD1 3.48Å; I150-Y170 HydrophobicContact CD1-CE1 4.25Å; I150-Y170 HydrophobicContact CD1-CG 4.22Å; I150-Y170 HydrophobicContact CG1-CD1 3.76Å; I150-Y170 HydrophobicContact CG1-CE1 4.14Å; I150-Y170 HydrophobicContact CG2-CD1 4.02Å; I150-Y170 HydrophobicContact CG2-CE1 3.68Å; M154-Y170 WeakPolarHBondContact O-CA 3.41Å; F155-Y170 HydrophobicContact CB-CD1 3.69Å; F155-Y170 HydrophobicContact CB-CD2 4.36Å; F155-Y170 HydrophobicContact CB-CE1 3.72Å; F155-Y170 HydrophobicContact CB-CE2 4.34Å; F155-Y170 HydrophobicContact CB-CG 4.04Å; F155-Y170 AromaticContact CD1-CE1 3.85Å; F155-Y170 HydrophobicContact CD1-CE1 3.85Å; F155-Y170 HydrophobicContact CG-CE1 4.12Å; V168-Y170 HydrophobicContact CG1-CD2 4.47Å; V168-Y170 HydrophobicContact CG1-CE2 4.03Å; Y170-K182 PolarHBondContact N-O 2.86Å; Y170-K182 WeakPolarHBondContact O-CG 3.05Å; Y170-I184 HydrophobicContact CE2-CD1 3.48Å; Y170-I184 VanDerWaalsContact CE2-CD1 3.48Å; Y170-I184 HydrophobicContact CE2-CG1 3.83Å; Y170-I184 HydrophobicContact CE2-CG2 4.21Å; Y170-P196 HydrophobicContact CE1-CB 4.31Å; Y170-P196 HydrophobicContact CE2-CB 4.31Å; Y170-P197 HydrophobicContact CD1-CG 4.24Å; Y170-P197 VanDerWaalsContact CD2-CD 3.49Å; Y170-P197 HydrophobicContact CD2-CG 3.95Å; Y170-P197 HydrophobicContact CG-CG 3.66Å |
| 171 | S | 97.4 | Very high | 96.4 | Very high | 57 Ų | 57 | 59.9 Ų | 59.9 | 40% | 0.399 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 147.7 | 171.5 | 60.5 | 0 | 0 | 0 | 0 | 109.7 | G153 M154 | G153-S171 CarbonylContact C-O 3.6Å; G153-S171 WeakPolarHBondContact CA-O 3.47Å; M154-S171 PolarHBondContact N-O 2.72Å; M154-S171 PolarHBondContact O-N 3.24Å |
| 172 | C | 97.6 | Very high | 96.5 | Very high | 31 Ų | 31 | 62 Ų | 62 | 21% | 0.209 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 150.5 | 172.3 | -63.8 | 0 | 0 | 0 | 0 | 110.5 | L178 C199 | C172-L178 WeakPolarHBondContact SG-CA 3.18Å; C172-C199 WeakPolarHBondContact CA-SG 3.38Å; C172-C199 HydrophobicContact CB-CB 3.77Å; C172-C199 WeakPolarHBondContact CB-SG 3.5Å; C172-C199 WeakPolarHBondContact SG-CA 3.24Å; C172-C199 WeakPolarHBondContact SG-CB 3.4Å; C172-C199 CovalentContact SG-SG 2.03Å; C172-C199 PolarHBondContact SG-SG 3.12Å |
| 173 | N | 97 | Very high | 96.5 | Very high | 69 Ų | 69 | 66.7 Ų | 66.7 | 37% | 0.369 | 34% | 0.343 | S | S | . | . | P | Polyproline II helix | trans | -58.9 | 163.2 | 168.9 | -69.1 | -8.2 | 0 | 0 | 0 | 110 | N152 D175 Y176 | N152-N173 VanDerWaalsContact C-CG 3.46Å; N152-N173 WeakPolarHBondContact CA-ND2 3.45Å; N152-N173 WeakPolarHBondContact O-CB 3.37Å; N152-N173 PolarHBondContact O-N 2.91Å; N173-D175 PolarHBondContact O-N 2.93Å; N173-Y176 HydrophobicContact CB-CD2 4.29Å; N173-Y176 PolarHBondContact O-N 3.35Å; N173-Y176 VanDerWaalsContact O-N 3.13Å |
| 174 | K | 93.9 | Very high | 96.6 | Very high | 175 Ų | 175 | 64.3 Ų | 64.3 | 76% | 0.761 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.3 | 137.2 | 178.6 | -167.7 | -172 | 171.2 | -177.7 | 0 | 110.9 | Y176 | K174-Y176 WeakPolarHBondContact O-CD2 3.37Å; K174-Y176 PolarHBondContact O-N 3.26Å |
| 175 | D | 90.8 | Very high | 96.7 | Very high | 79 Ų | 79 | 63.9 Ų | 63.9 | 42% | 0.422 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.8 | -3.5 | 178.1 | -52.4 | -52.1 | 0 | 0 | 0 | 116.3 | N173 W201 | N173-D175 PolarHBondContact O-N 2.93Å; D175-W201 HydrophobicContact CB-CE3 4.26Å; D175-W201 HydrophobicContact CB-CH2 4.23Å; D175-W201 HydrophobicContact CB-CZ3 3.54Å |
| 176 | Y | 96.1 | Very high | 96.8 | Very high | 73 Ų | 73 | 55.9 Ų | 55.9 | 29% | 0.286 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 146.6 | 171.2 | -74 | -99.3 | 0 | 0 | 0 | 111.8 | N152 N173 K174 C199 W201 | N152-Y176 HydrophobicContact CB-CD1 3.71Å; N152-Y176 HydrophobicContact CB-CD2 3.91Å; N152-Y176 HydrophobicContact CB-CE1 3.65Å; N152-Y176 HydrophobicContact CB-CE2 3.85Å; N152-Y176 HydrophobicContact CB-CG 3.85Å; N152-Y176 WeakPolarHBondContact ND2-CE1 3.47Å; N173-Y176 HydrophobicContact CB-CD2 4.29Å; N173-Y176 PolarHBondContact O-N 3.35Å; N173-Y176 VanDerWaalsContact O-N 3.13Å; K174-Y176 WeakPolarHBondContact O-CD2 3.37Å; K174-Y176 PolarHBondContact O-N 3.26Å; Y176-C199 HydrophobicContact CD1-CB 4.34Å; Y176-W201 HydrophobicContact CD1-CB 4.45Å; Y176-W201 HydrophobicContact CE1-CB 4.15Å; Y176-W201 HydrophobicContact CE2-CE3 4.26Å |
| 177 | T | 96.4 | Very high | 96.6 | Very high | 24 Ų | 24 | 56.5 Ų | 56.5 | 15% | 0.147 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 131.7 | 177.3 | -62.8 | 0 | 0 | 0 | 0 | 110.1 | N179 I200 V202 H224 I248 | T177-N179 PolarHBondContact O-N 2.87Å; T177-I200 PolarHBondContact N-O 2.81Å; T177-I200 PolarHBondContact O-N 2.86Å; T177-V202 HydrophobicContact CG2-CG2 4.45Å; T177-H224 HydrophobicContact CG2-CB 3.95Å; T177-H224 WeakPolarHBondContact CG2-ND1 3.44Å; T177-H224 WeakPolarHBondContact OG1-CB 3.23Å; T177-I248 HydrophobicContact CG2-CD1 4.31Å; T177-I248 HydrophobicContact CG2-CG1 4.47Å |
| 178 | L | 96.7 | Very high | 96.3 | Very high | 48 Ų | 48 | 58.8 Ų | 58.8 | 25% | 0.251 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 122 | 174.7 | -169.2 | 119.9 | 0 | 0 | 0 | 110.4 | C172 G180 K182 P197 | C172-L178 WeakPolarHBondContact SG-CA 3.18Å; L178-G180 WeakPolarHBondContact CD2-O 3.43Å; L178-K182 HydrophobicContact CD2-CB 3.88Å; L178-K182 HydrophobicContact CD2-CG 4.26Å; L178-P197 HydrophobicContact CD1-CB 4.19Å; L178-P197 HydrophobicContact CD1-CG 3.85Å; L178-P197 HydrophobicContact CD2-CB 4.27Å; L178-P197 HydrophobicContact CG-CB 4.03Å; L178-P197 HydrophobicContact CG-CG 4.25Å |
| 179 | N | 96.6 | Very high | 95.9 | Very high | 75 Ų | 75 | 62.9 Ų | 62.9 | 40% | 0.401 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 115.5 | 175.1 | -173.3 | 18 | 0 | 0 | 0 | 109.9 | T177 P197 S198 I200 I248 | T177-N179 PolarHBondContact O-N 2.87Å; N179-P197 WeakPolarHBondContact O-CA 3.44Å; N179-P197 VanDerWaalsContact O-CB 3.31Å; N179-P197 WeakPolarHBondContact O-CB 3.45Å; N179-S198 PolarHBondContact N-O 2.67Å; N179-S198 PolarHBondContact O-N 2.91Å; N179-I200 HydrophobicContact CB-CD1 4.19Å; N179-I200 HydrophobicContact CB-CG1 4.27Å; N179-I248 HydrophobicContact CB-CD1 3.77Å; N179-I248 HydrophobicContact CB-CG1 4.5Å; N179-I248 WeakPolarHBondContact OD1-CD1 3.07Å |
| 180 | G | 95.9 | Very high | 95.6 | Very high | 54 Ų | 54 | 62.4 Ų | 62.4 | 56% | 0.557 | 33% | 0.333 | S | S | * | . | S | Bend | trans | 107.7 | -163.8 | -174.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | L178 | L178-G180 WeakPolarHBondContact CD2-O 3.43Š|
| 181 | S | 97.4 | Very high | 95.4 | Very high | 58 Ų | 58 | 65 Ų | 65 | 41% | 0.406 | 35% | 0.348 | S | S | . | . | trans | -77.4 | 125.8 | -175.9 | -63.9 | 0 | 0 | 0 | 0 | 111.7 | Q183 P194 P197 | S181-Q183 PolarHBondContact O-N 2.91Å; S181-P194 VanDerWaalsContact OG-CG 3.29Å; S181-P194 WeakPolarHBondContact OG-CG 3.32Å; S181-P197 WeakPolarHBondContact O-CB 3.29Å; S181-P197 WeakPolarHBondContact O-CD 3.35Å; S181-P197 VanDerWaalsContact O-CG 3.26Å; S181-P197 WeakPolarHBondContact O-CG 3.27Å | ||
| 182 | K | 96.9 | Very high | 95.3 | Very high | 106 Ų | 106 | 63.4 Ų | 63.4 | 46% | 0.461 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -62.8 | -30.2 | 176.5 | -163.8 | -170 | 178.3 | -153.5 | 0 | 112.3 | E169 Y170 L178 | E169-K182 WeakPolarHBondContact CA-O 3.1Å; E169-K182 VanDerWaalsContact CD-CE 3.5Å; E169-K182 HydrophobicContact CG-CD 4.15Å; E169-K182 HydrophobicContact CG-CG 3.99Å; E169-K182 VanDerWaalsContact OE1-CD 3.27Å; E169-K182 WeakPolarHBondContact OE1-CD 3.42Å; E169-K182 WeakPolarHBondContact OE1-CE 3.37Å; E169-K182 IonicContact OE1-NZ 3.85Å; E169-K182 PolarHBondContact OE1-NZ 2.89Å; E169-K182 IonicContact OE2-NZ 3.14Å; Y170-K182 PolarHBondContact N-O 2.86Å; Y170-K182 WeakPolarHBondContact O-CG 3.05Å; L178-K182 HydrophobicContact CD2-CB 3.88Å; L178-K182 HydrophobicContact CD2-CG 4.26Å |
| 183 | Q | 98.1 | Very high | 95.3 | Very high | 99 Ų | 99 | 67.3 Ų | 67.3 | 46% | 0.463 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 142.9 | -176 | -68.7 | 174.4 | 21.5 | 0 | 0 | 110.8 | V167 V168 E169 S181 | V167-Q183 HydrophobicContact CG1-CB 3.83Å; V167-Q183 HydrophobicContact CG1-CG 4Å; V168-Q183 WeakPolarHBondContact O-CA 3.43Å; E169-Q183 HydrophobicContact CB-CG 4.15Å; E169-Q183 HydrophobicContact CG-CG 3.94Å; E169-Q183 PolarHBondContact OE1-NE2 3.06Å; E169-Q183 VanDerWaalsContact OE1-NE2 3.12Å; S181-Q183 PolarHBondContact O-N 2.91Å |
| 184 | I | 97.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 145.5 | 171.1 | 66.6 | 175.6 | 0 | 0 | 0 | 109 | P147 V167 V168 Y170 F192 P194 P196 | P147-I184 HydrophobicContact CB-CD1 3.66Å; P147-I184 HydrophobicContact CG-CD1 3.97Å; V167-I184 WeakPolarHBondContact CA-O 3Å; V168-I184 HydrophobicContact CB-CD1 4.33Å; V168-I184 HydrophobicContact CB-CG1 3.85Å; V168-I184 HydrophobicContact CG1-CG1 4.4Å; V168-I184 PolarHBondContact N-O 3.32Å; V168-I184 PolarHBondContact O-N 3.1Å; Y170-I184 HydrophobicContact CE2-CD1 3.48Å; Y170-I184 VanDerWaalsContact CE2-CD1 3.48Å; Y170-I184 HydrophobicContact CE2-CG1 3.83Å; Y170-I184 HydrophobicContact CE2-CG2 4.21Å; I184-F192 HydrophobicContact CB-CB 4.22Å; I184-F192 HydrophobicContact CB-CD1 4.15Å; I184-F192 HydrophobicContact CD1-CB 3.66Å; I184-F192 HydrophobicContact CD1-CD1 3.73Å; I184-F192 HydrophobicContact CD1-CD2 4.27Å; I184-F192 HydrophobicContact CD1-CE1 4.42Å; I184-F192 HydrophobicContact CD1-CG 3.63Å; I184-F192 HydrophobicContact CG1-CB 4.11Å; I184-F192 HydrophobicContact CG1-CD1 3.58Å; I184-F192 HydrophobicContact CG1-CE1 4.21Å; I184-F192 HydrophobicContact CG1-CG 4Å; I184-P194 HydrophobicContact CG2-CG 4.47Å; I184-P194 WeakPolarHBondContact CG2-O 3.31Å; I184-P196 HydrophobicContact CD1-CG 4.42Å |
| 185 | T | 97.6 | Very high | 95.3 | Very high | 37 Ų | 37 | 62.5 Ų | 62.5 | 23% | 0.227 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 137.1 | -174.1 | -54.5 | 0 | 0 | 0 | 0 | 110.2 | R165 E166 V167 E187 F192 K193 | R165-T185 HydrophobicContact CB-CG2 4.5Å; E166-T185 WeakPolarHBondContact O-CA 3.42Å; V167-T185 HydrophobicContact CG2-CG2 4.33Å; T185-E187 PolarHBondContact O-N 3.39Å; T185-F192 VanDerWaalsContact C-CD1 3.42Å; T185-F192 CarbonylContact O-C 3.58Å; T185-F192 VanDerWaalsContact O-CA 3.32Å; T185-F192 WeakPolarHBondContact O-CA 3.31Å; T185-K193 PolarHBondContact N-O 3.32Å; T185-K193 PolarHBondContact O-N 2.85Å |
| 186 | C | 97.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 118.9 | 174.8 | 178.4 | 0 | 0 | 0 | 0 | 110.8 | C144 Y162 T163 R165 E166 F192 | C144-C186 HydrophobicContact CB-CB 3.79Å; C144-C186 WeakPolarHBondContact CB-SG 3.5Å; C144-C186 PolarHBondContact N-SG 3.48Å; C144-C186 WeakPolarHBondContact SG-CA 3.21Å; C144-C186 WeakPolarHBondContact SG-CB 3.44Å; C144-C186 CovalentContact SG-SG 2.03Å; C144-C186 PolarHBondContact SG-SG 2.83Å; Y162-C186 PolarHBondContact O-SG 2.85Å; Y162-C186 VanDerWaalsContact O-SG 3.39Å; T163-C186 WeakPolarHBondContact O-CB 3.35Å; R165-C186 PolarHBondContact N-O 3.32Å; E166-C186 PolarHBondContact O-N 3Å; C186-F192 HydrophobicContact CB-CD1 4.26Å; C186-F192 HydrophobicContact CB-CE1 3.87Å; C186-F192 HydrophobicContact CB-CZ 4.22Å |
| 187 | E | 94.8 | Very high | 95.6 | Very high | 68 Ų | 68 | 57.7 Ų | 57.7 | 32% | 0.318 | 32% | 0.322 | S | S | . | . | trans | -96.1 | 167.5 | -179.3 | -67.8 | -63.5 | 163.8 | 0 | 0 | 112.7 | T185 N189 N190 T191 K193 | T185-E187 PolarHBondContact O-N 3.39Å; E187-N189 PolarHBondContact O-N 2.89Å; E187-N189 VanDerWaalsContact O-N 3.08Å; E187-N190 PolarHBondContact O-N 3.13Å; E187-T191 WeakPolarHBondContact CB-O 3.26Å; E187-T191 PolarHBondContact N-O 2.92Å; E187-K193 HydrophobicContact CG-CB 3.87Å; E187-K193 HydrophobicContact CG-CG 3.91Å | ||
| 188 | E | 90.4 | Very high | 95.7 | Very high | 107 Ų | 107 | 59.9 Ų | 59.9 | 50% | 0.5 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -22.6 | -177.8 | 65.1 | -178.9 | -172.4 | 0 | 0 | 114 | K118 Y164 N190 | K118-E188 WeakPolarHBondContact CE-O 3.45Å; Y164-E188 HydrophobicContact CD2-CB 4.4Å; Y164-E188 HydrophobicContact CE2-CB 4.15Å; E188-N190 PolarHBondContact O-N 3.38Å |
| 189 | N | 89.1 | Confident | 95.7 | Very high | 87 Ų | 87 | 58.3 Ų | 58.3 | 47% | 0.465 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | 10.7 | 178.6 | 69.9 | -6.4 | 0 | 0 | 0 | 113.3 | E187 T191 | E187-N189 PolarHBondContact O-N 2.89Å; E187-N189 VanDerWaalsContact O-N 3.08Å; N189-T191 VanDerWaalsContact C-N 3.27Å; N189-T191 PolarHBondContact ND2-OG1 2.03Å; N189-T191 VanDerWaalsContact ND2-OG1 3.1Å; N189-T191 PolarHBondContact O-N 3.2Å; N189-T191 WeakPolarHBondContact OD1-CB 3.47Å; N189-T191 PolarHBondContact OD1-N 2.96Å; N189-T191 PolarHBondContact OD1-OG1 2.79Å |
| 190 | N | 92.2 | Very high | 95.7 | Very high | 63 Ų | 63 | 57 Ų | 57 | 34% | 0.337 | 32% | 0.324 | S | S | . | . | S | Bend | trans | 63.5 | 27.8 | -175 | -59.9 | -1.3 | 0 | 0 | 0 | 113.4 | K118 A142 K143 E187 E188 | K118-N190 WeakPolarHBondContact CE-OD1 3.02Å; K118-N190 PolarHBondContact NZ-ND2 2.8Å; K118-N190 PolarHBondContact NZ-OD1 2.8Å; A142-N190 WeakPolarHBondContact CB-OD1 3.49Å; K143-N190 PolarHBondContact N-OD1 2.94Å; K143-N190 VanDerWaalsContact O-CB 3.23Å; K143-N190 WeakPolarHBondContact O-CB 3.35Å; E187-N190 PolarHBondContact O-N 3.13Å; E188-N190 PolarHBondContact O-N 3.38Å |
| 191 | T | 93.6 | Very high | 95.7 | Very high | 55 Ų | 55 | 59.8 Ų | 59.8 | 34% | 0.337 | 32% | 0.318 | S | S | . | . | trans | -124.8 | 148.5 | 175.1 | 71.8 | 0 | 0 | 0 | 0 | 111.1 | C144 E187 N189 | C144-T191 PolarHBondContact SG-N 3.16Å; E187-T191 WeakPolarHBondContact CB-O 3.26Å; E187-T191 PolarHBondContact N-O 2.92Å; N189-T191 VanDerWaalsContact C-N 3.27Å; N189-T191 PolarHBondContact ND2-OG1 2.03Å; N189-T191 VanDerWaalsContact ND2-OG1 3.1Å; N189-T191 PolarHBondContact O-N 3.2Å; N189-T191 WeakPolarHBondContact OD1-CB 3.47Å; N189-T191 PolarHBondContact OD1-N 2.96Å; N189-T191 PolarHBondContact OD1-OG1 2.79Å | ||
| 192 | F | 96.5 | Very high | 95.7 | Very high | 23 Ų | 23 | 57 Ų | 57 | 10% | 0.101 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 136.4 | 171.1 | -80.3 | -78.2 | 0 | 0 | 0 | 111.4 | C144 L145 P147 Y162 V168 I184 T185 C186 | C144-F192 HydrophobicContact CB-CD2 3.82Å; C144-F192 HydrophobicContact CB-CE2 3.49Å; C144-F192 VanDerWaalsContact CB-CE2 3.49Å; C144-F192 HydrophobicContact CB-CZ 3.98Å; L145-F192 VanDerWaalsContact O-CE2 3.32Å; L145-F192 WeakPolarHBondContact O-CE2 3.43Å; P147-F192 HydrophobicContact CB-CD2 3.84Å; P147-F192 HydrophobicContact CB-CE2 4.04Å; P147-F192 HydrophobicContact CB-CG 4.46Å; P147-F192 HydrophobicContact CG-CD2 4.29Å; P147-F192 HydrophobicContact CG-CE2 4.01Å; P147-F192 HydrophobicContact CG-CZ 4.41Å; Y162-F192 HydrophobicContact CD1-CZ 4.07Å; Y162-F192 HydrophobicContact CD2-CE2 4.02Å; Y162-F192 AromaticContact CD2-CZ 3.68Å; Y162-F192 HydrophobicContact CD2-CZ 3.68Å; Y162-F192 HydrophobicContact CE2-CZ 4.32Å; Y162-F192 HydrophobicContact CG-CE1 4.49Å; Y162-F192 HydrophobicContact CG-CE2 4.31Å; Y162-F192 AromaticContact CG-CZ 3.54Å; Y162-F192 HydrophobicContact CG-CZ 3.54Å; V168-F192 HydrophobicContact CB-CE1 4.37Å; V168-F192 HydrophobicContact CG2-CE1 3.88Å; V168-F192 HydrophobicContact CG2-CZ 3.86Å; I184-F192 HydrophobicContact CB-CB 4.22Å; I184-F192 HydrophobicContact CB-CD1 4.15Å; I184-F192 HydrophobicContact CD1-CB 3.66Å; I184-F192 HydrophobicContact CD1-CD1 3.73Å; I184-F192 HydrophobicContact CD1-CD2 4.27Å; I184-F192 HydrophobicContact CD1-CE1 4.42Å; I184-F192 HydrophobicContact CD1-CG 3.63Å; I184-F192 HydrophobicContact CG1-CB 4.11Å; I184-F192 HydrophobicContact CG1-CD1 3.58Å; I184-F192 HydrophobicContact CG1-CE1 4.21Å; I184-F192 HydrophobicContact CG1-CG 4Å; T185-F192 VanDerWaalsContact C-CD1 3.42Å; T185-F192 CarbonylContact O-C 3.58Å; T185-F192 VanDerWaalsContact O-CA 3.32Å; T185-F192 WeakPolarHBondContact O-CA 3.31Å; C186-F192 HydrophobicContact CB-CD1 4.26Å; C186-F192 HydrophobicContact CB-CE1 3.87Å; C186-F192 HydrophobicContact CB-CZ 4.22Å |
| 193 | K | 96.1 | Very high | 95.7 | Very high | 113 Ų | 113 | 56.2 Ų | 56.2 | 49% | 0.491 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 139.7 | 172.2 | -64.8 | -65.4 | 176.8 | -175.4 | 0 | 111.3 | T185 E187 | T185-K193 PolarHBondContact N-O 3.32Å; T185-K193 PolarHBondContact O-N 2.85Å; E187-K193 HydrophobicContact CG-CB 3.87Å; E187-K193 HydrophobicContact CG-CG 3.91Å |
| 194 | P | 96.4 | Very high | 95.7 | Very high | 57 Ų | 57 | 51.6 Ų | 51.6 | 37% | 0.37 | 28% | 0.275 | S | S | . | . | S | Bend | cis | -67.9 | -176.7 | -9.4 | 30.7 | -35.6 | 0 | 0 | 0 | 112.3 | S181 I184 | S181-P194 VanDerWaalsContact OG-CG 3.29Å; S181-P194 WeakPolarHBondContact OG-CG 3.32Å; I184-P194 HydrophobicContact CG2-CG 4.47Å; I184-P194 WeakPolarHBondContact CG2-O 3.31Å |
| 195 | S | 94.9 | Very high | 95.6 | Very high | 87 Ų | 87 | 60.6 Ų | 60.6 | 61% | 0.608 | 31% | 0.314 | S | S | * | . | trans | -63.4 | 153.7 | 174.7 | 52.3 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 196 | P | 96.4 | Very high | 95.5 | Very high | 46 Ų | 46 | 63.1 Ų | 63.1 | 30% | 0.299 | 33% | 0.326 | S | S | . | . | trans | -51.6 | 143.2 | 175.2 | -27.7 | 35.5 | 0 | 0 | 0 | 112.8 | I150 Y170 I184 | I150-P196 HydrophobicContact CG2-CB 4.07Å; Y170-P196 HydrophobicContact CE1-CB 4.31Å; Y170-P196 HydrophobicContact CE2-CB 4.31Å; I184-P196 HydrophobicContact CD1-CG 4.42Å | ||
| 197 | P | 97.3 | Very high | 95.3 | Very high | 5 Ų | 5 | 63.5 Ų | 63.5 | 3% | 0.032 | 33% | 0.329 | C | S | . | . | trans | -74.1 | 179 | 176.9 | 32.6 | -35.1 | 0 | 0 | 0 | 111.6 | I150 Y170 L178 N179 S181 | I150-P197 HydrophobicContact CD1-CG 4.31Å; I150-P197 VanDerWaalsContact CG2-O 3.23Å; I150-P197 WeakPolarHBondContact CG2-O 3.06Å; Y170-P197 HydrophobicContact CD1-CG 4.24Å; Y170-P197 VanDerWaalsContact CD2-CD 3.49Å; Y170-P197 HydrophobicContact CD2-CG 3.95Å; Y170-P197 HydrophobicContact CG-CG 3.66Å; L178-P197 HydrophobicContact CD1-CB 4.19Å; L178-P197 HydrophobicContact CD1-CG 3.85Å; L178-P197 HydrophobicContact CD2-CB 4.27Å; L178-P197 HydrophobicContact CG-CB 4.03Å; L178-P197 HydrophobicContact CG-CG 4.25Å; N179-P197 WeakPolarHBondContact O-CA 3.44Å; N179-P197 VanDerWaalsContact O-CB 3.31Å; N179-P197 WeakPolarHBondContact O-CB 3.45Å; S181-P197 WeakPolarHBondContact O-CB 3.29Å; S181-P197 WeakPolarHBondContact O-CD 3.35Å; S181-P197 VanDerWaalsContact O-CG 3.26Å; S181-P197 WeakPolarHBondContact O-CG 3.27Å | ||
| 198 | S | 97.2 | Very high | 95.3 | Very high | 69 Ų | 69 | 66.1 Ų | 66.1 | 48% | 0.483 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 144.9 | 171.3 | -65.2 | 0 | 0 | 0 | 0 | 111 | N179 | N179-S198 PolarHBondContact N-O 2.67Å; N179-S198 PolarHBondContact O-N 2.91Å |
| 199 | C | 97.8 | Very high | 95.6 | Very high | 15 Ų | 15 | 61.8 Ų | 61.8 | 10% | 0.101 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 116.8 | 172.8 | -67.2 | 0 | 0 | 0 | 0 | 109.7 | I150 A151 N152 C172 Y176 | I150-C199 WeakPolarHBondContact CD1-SG 3.48Å; A151-C199 WeakPolarHBondContact O-CB 3.47Å; N152-C199 HydrophobicContact CB-CB 4.28Å; N152-C199 WeakPolarHBondContact O-CB 3.42Å; C172-C199 WeakPolarHBondContact CA-SG 3.38Å; C172-C199 HydrophobicContact CB-CB 3.77Å; C172-C199 WeakPolarHBondContact CB-SG 3.5Å; C172-C199 WeakPolarHBondContact SG-CA 3.24Å; C172-C199 WeakPolarHBondContact SG-CB 3.4Å; C172-C199 CovalentContact SG-SG 2.03Å; C172-C199 PolarHBondContact SG-SG 3.12Å; Y176-C199 HydrophobicContact CD1-CB 4.34Å |
| 200 | I | 96.9 | Very high | 95.9 | Very high | 48 Ų | 48 | 62 Ų | 62 | 25% | 0.246 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 146.4 | -175.3 | 63.6 | 167.4 | 0 | 0 | 0 | 111.3 | T177 N179 V202 I248 | T177-I200 PolarHBondContact N-O 2.81Å; T177-I200 PolarHBondContact O-N 2.86Å; N179-I200 HydrophobicContact CB-CD1 4.19Å; N179-I200 HydrophobicContact CB-CG1 4.27Å; I200-V202 HydrophobicContact CD1-CG2 3.88Å; I200-V202 HydrophobicContact CG1-CG2 3.95Å; I200-I248 HydrophobicContact CD1-CD1 4.3Å; I200-I248 HydrophobicContact CD1-CG1 3.47Å; I200-I248 VanDerWaalsContact CD1-CG1 3.47Å; I200-I248 VanDerWaalsContact CD1-O 3.25Å; I200-I248 WeakPolarHBondContact CD1-O 3.4Å; I200-I248 HydrophobicContact CG1-CG1 4.41Å |
| 201 | W | 96.3 | Very high | 96.1 | Very high | 113 Ų | 113 | 62 Ų | 62 | 43% | 0.428 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 122.7 | 171 | -177.5 | -93.2 | 0 | 0 | 0 | 109.2 | D175 Y176 E203 R223 | D175-W201 HydrophobicContact CB-CE3 4.26Å; D175-W201 HydrophobicContact CB-CH2 4.23Å; D175-W201 HydrophobicContact CB-CZ3 3.54Å; Y176-W201 HydrophobicContact CD1-CB 4.45Å; Y176-W201 HydrophobicContact CE1-CB 4.15Å; Y176-W201 HydrophobicContact CE2-CE3 4.26Å; W201-E203 PolarHBondContact NE1-OE2 3.2Å; W201-R223 VanDerWaalsContact CZ2-CZ 3.48Å |
| 202 | V | 96.7 | Very high | 96.3 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 33% | 0.325 | C | S | . | . | trans | -115.6 | 123.8 | 178.2 | -178.8 | 0 | 0 | 0 | 0 | 109.2 | T177 I200 R223 H224 N247 I248 | T177-V202 HydrophobicContact CG2-CG2 4.45Å; I200-V202 HydrophobicContact CD1-CG2 3.88Å; I200-V202 HydrophobicContact CG1-CG2 3.95Å; V202-R223 WeakPolarHBondContact O-CD 3.45Å; V202-H224 HydrophobicContact CB-CB 3.91Å; V202-H224 HydrophobicContact CG1-CB 3.83Å; V202-H224 HydrophobicContact CG2-CB 4.18Å; V202-N247 WeakPolarHBondContact CG1-O 3.44Å; V202-I248 WeakPolarHBondContact CG2-O 3.47Å | ||
| 203 | E | 97 | Very high | 96.3 | Very high | 88 Ų | 88 | 61.7 Ų | 61.7 | 41% | 0.411 | 34% | 0.337 | S | S | . | . | trans | -150.6 | 109.2 | 178.4 | -170.1 | 173.7 | 160.8 | 0 | 0 | 110.7 | W201 H222 R223 S250 | W201-E203 PolarHBondContact NE1-OE2 3.2Å; E203-H222 CarbonylContact C-O 3.53Å; E203-H222 VanDerWaalsContact CA-O 3.31Å; E203-H222 WeakPolarHBondContact CA-O 3.47Å; E203-R223 IonicContact OE2-NH1 3.81Å; E203-S250 PolarHBondContact N-OG 3.46Å; E203-S250 WeakPolarHBondContact O-CB 3.2Å | ||
| 204 | C | 96.7 | Very high | 96.3 | Very high | 3 Ų | 3 | 59.4 Ų | 59.4 | 2% | 0.02 | 33% | 0.325 | C | S | . | . | B | Isolated β-bridge | trans | -85.4 | 134.2 | 174.7 | -68.9 | 0 | 0 | 0 | 0 | 110.6 | H222 C246 W252 | C204-H222 HydrophobicContact CB-CB 4.17Å; C204-H222 PolarHBondContact N-O 3.14Å; C204-C246 HydrophobicContact CB-CB 3.78Å; C204-C246 WeakPolarHBondContact CB-SG 3.46Å; C204-C246 WeakPolarHBondContact SG-CA 3.47Å; C204-C246 WeakPolarHBondContact SG-CB 3.25Å; C204-C246 CovalentContact SG-SG 2.03Å; C204-C246 PolarHBondContact SG-SG 3.26Å; C204-W252 HydrophobicContact CB-CD2 4.21Å; C204-W252 HydrophobicContact CB-CH2 4.34Å; C204-W252 HydrophobicContact CB-CZ2 3.63Å |
| 205 | K | 96.3 | Very high | 96.3 | Very high | 188 Ų | 188 | 61.1 Ų | 61.1 | 82% | 0.817 | 33% | 0.331 | S | S | * | . | P | Polyproline II helix | trans | -70.5 | 147.4 | 170.9 | -64 | -174.5 | 178 | -177.4 | 0 | 110.5 | W252 | K205-W252 PolarHBondContact O-NE1 3.42Š|
| 206 | D | 94.9 | Very high | 96.4 | Very high | 90 Ų | 90 | 61.8 Ų | 61.8 | 48% | 0.481 | 33% | 0.327 | S | S | . | . | P | Polyproline II helix | trans | -51.7 | 128.5 | 178.8 | -63.4 | 4.9 | 0 | 0 | 0 | 111.5 | V208 P220 H222 | D206-V208 PolarHBondContact O-N 3.3Å; D206-P220 VanDerWaalsContact OD1-CG 3.27Å; D206-P220 WeakPolarHBondContact OD1-CG 3Å; D206-P220 WeakPolarHBondContact OD2-CG 3.44Å; D206-H222 IonicContact OD1-CD2 3.17Å; D206-H222 PolarHBondContact OD1-CD2 2.92Å; D206-H222 IonicContact OD1-NE2 3.64Å; D206-H222 PolarHBondContact OD1-NE2 3.38Å; D206-H222 VanDerWaalsContact OD1-NE2 3.14Å |
| 207 | P | 94.8 | Very high | 96.4 | Very high | 8 Ų | 8 | 61 Ų | 61 | 5% | 0.052 | 33% | 0.328 | C | S | . | . | P | Polyproline II helix | trans | -62.1 | 127.7 | 176.4 | -19.4 | 28.7 | 0 | 0 | 0 | 111.6 | I209 V228 Y230 L244 W252 I256 | P207-I209 HydrophobicContact CB-CD1 4.26Å; P207-I209 HydrophobicContact CB-CG1 4.41Å; P207-V228 HydrophobicContact CG-CG2 3.96Å; P207-Y230 HydrophobicContact CB-CE2 4.19Å; P207-Y230 HydrophobicContact CG-CE2 4.01Å; P207-L244 HydrophobicContact CB-CD1 3.95Å; P207-L244 HydrophobicContact CG-CD1 3.83Å; P207-W252 HydrophobicContact CG-CD2 4.03Å; P207-W252 HydrophobicContact CG-CG 4.24Å; P207-W252 HydrophobicContact CG-CZ2 3.96Å; P207-I256 HydrophobicContact CB-CD1 4.32Å |
| 208 | V | 94.5 | Very high | 96.3 | Very high | 124 Ų | 124 | 62.4 Ų | 62.4 | 75% | 0.752 | 34% | 0.337 | S | S | * | . | trans | -99.2 | 102.5 | 172.2 | -177 | 0 | 0 | 0 | 0 | 108.5 | D206 | D206-V208 PolarHBondContact O-N 3.3Š| ||
| 209 | I | 96.1 | Very high | 96.1 | Very high | 16 Ų | 16 | 67.5 Ų | 67.5 | 8% | 0.082 | 35% | 0.346 | C | S | . | . | trans | -118.3 | 105.2 | 177.9 | -55.3 | 158.7 | 0 | 0 | 0 | 108.4 | P207 N211 A212 Y230 L244 I256 P257 | P207-I209 HydrophobicContact CB-CD1 4.26Å; P207-I209 HydrophobicContact CB-CG1 4.41Å; I209-N211 PolarHBondContact O-N 2.98Å; I209-A212 HydrophobicContact CB-CB 3.75Å; I209-A212 HydrophobicContact CG2-CB 3.53Å; I209-A212 PolarHBondContact O-N 3.44Å; I209-Y230 HydrophobicContact CD1-CD1 4.06Å; I209-Y230 HydrophobicContact CD1-CD2 3.97Å; I209-Y230 HydrophobicContact CD1-CE2 4.48Å; I209-Y230 HydrophobicContact CD1-CG 3.75Å; I209-L244 HydrophobicContact CD1-CD1 4.34Å; I209-I256 HydrophobicContact CD1-CG2 4.09Å; I209-I256 HydrophobicContact CG1-CG2 3.42Å; I209-I256 VanDerWaalsContact CG1-CG2 3.42Å; I209-P257 HydrophobicContact CD1-CG 3.8Å; I209-P257 HydrophobicContact CG1-CG 4.45Å; I209-P257 WeakPolarHBondContact CG2-O 3.47Å | ||
| 210 | P | 96.4 | Very high | 95.9 | Very high | 92 Ų | 92 | 70.2 Ų | 70.2 | 60% | 0.597 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | 140.3 | 175.5 | -25 | 34.7 | 0 | 0 | 0 | 111.2 | A212 C259 | P210-A212 PolarHBondContact O-N 3.2Å; P210-C259 WeakPolarHBondContact O-CB 3.37Å |
| 211 | N | 96.1 | Very high | 95.7 | Very high | 61 Ų | 61 | 71.5 Ų | 71.5 | 33% | 0.326 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.7 | 21.7 | 179.9 | -50.9 | -53.3 | 0 | 0 | 0 | 115.2 | I209 K233 Y236 C259 | I209-N211 PolarHBondContact O-N 2.98Å; N211-K233 WeakPolarHBondContact O-CB 3.4Å; N211-K233 WeakPolarHBondContact O-CG 3.42Å; N211-K233 PolarHBondContact O-N 2.75Å; N211-Y236 HydrophobicContact CB-CD1 3.76Å; N211-Y236 HydrophobicContact CB-CD2 3.78Å; N211-Y236 HydrophobicContact CB-CE1 3.79Å; N211-Y236 HydrophobicContact CB-CE2 3.79Å; N211-Y236 HydrophobicContact CB-CG 3.78Å; N211-Y236 WeakPolarHBondContact ND2-CE1 3.23Å; N211-C259 HydrophobicContact CB-CB 4.11Å |
| 212 | A | 96.6 | Very high | 95.7 | Very high | 14 Ų | 14 | 66.3 Ų | 66.3 | 12% | 0.116 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 164.9 | 168.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | I209 P210 Y230 N231 K233 | I209-A212 HydrophobicContact CB-CB 3.75Å; I209-A212 HydrophobicContact CG2-CB 3.53Å; I209-A212 PolarHBondContact O-N 3.44Å; P210-A212 PolarHBondContact O-N 3.2Å; A212-Y230 HydrophobicContact CB-CD1 4.11Å; A212-N231 CarbonylContact C-O 3.46Å; A212-N231 VanDerWaalsContact CA-O 3.23Å; A212-N231 WeakPolarHBondContact CA-O 3.49Å; A212-N231 WeakPolarHBondContact CB-O 3.31Å; A212-K233 WeakPolarHBondContact O-CE 2.96Å |
| 213 | V | 96.4 | Very high | 95.6 | Very high | 59 Ų | 59 | 69.4 Ų | 69.4 | 36% | 0.358 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 136.4 | 170.1 | -72 | 0 | 0 | 0 | 0 | 108.8 | I215 Y230 N231 K233 | V213-I215 HydrophobicContact CG2-CD1 3.84Å; V213-Y230 VanDerWaalsContact O-CA 3.31Å; V213-Y230 WeakPolarHBondContact O-CA 3.48Å; V213-N231 HydrophobicContact CG2-CB 4.41Å; V213-N231 WeakPolarHBondContact CG2-O 3.34Å; V213-N231 PolarHBondContact N-O 2.74Å; V213-N231 PolarHBondContact O-N 3.16Å; V213-K233 HydrophobicContact CG1-CD 4.36Å; V213-K233 HydrophobicContact CG1-CG 3.72Å |
| 214 | Y | 96.8 | Very high | 95.6 | Very high | 64 Ų | 64 | 67.8 Ų | 67.8 | 25% | 0.251 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 131.2 | 169.4 | 168.8 | -86.7 | 0 | 0 | 0 | 108.7 | D216 G217 V228 Y230 | Y214-D216 VanDerWaalsContact CE2-O 3.26Å; Y214-D216 WeakPolarHBondContact CE2-O 3.03Å; Y214-D216 VanDerWaalsContact OH-C 3.27Å; Y214-G217 VanDerWaalsContact OH-C 3.32Å; Y214-G217 PolarHBondContact OH-N 3.31Å; Y214-G217 VanDerWaalsContact OH-N 3.11Å; Y214-G217 PolarHBondContact OH-O 3.09Å; Y214-V228 HydrophobicContact CE2-CB 4.43Å; Y214-V228 HydrophobicContact CE2-CG1 4.37Å; Y214-Y230 HydrophobicContact CD2-CE2 4.33Å |
| 215 | I | 96.8 | Very high | 95.6 | Very high | 94 Ų | 94 | 74.9 Ų | 74.9 | 48% | 0.482 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | -53.2 | -178.7 | -58.3 | -57.6 | 0 | 0 | 0 | 110.3 | V213 I229 N231 | V213-I215 HydrophobicContact CG2-CD1 3.84Å; I215-I229 HydrophobicContact CB-CG2 4.23Å; I215-I229 PolarHBondContact N-O 3.22Å; I215-N231 HydrophobicContact CD1-CB 3.88Å; I215-N231 HydrophobicContact CG1-CB 3.73Å |
| 216 | D | 96.4 | Very high | 95.6 | Very high | 101 Ų | 101 | 66.6 Ų | 66.6 | 54% | 0.54 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.2 | 169.5 | -174 | -168.7 | 23.2 | 0 | 0 | 0 | 111.9 | Y214 I229 | Y214-D216 VanDerWaalsContact CE2-O 3.26Å; Y214-D216 WeakPolarHBondContact CE2-O 3.03Å; Y214-D216 VanDerWaalsContact OH-C 3.27Å; D216-I229 HydrophobicContact CB-CD1 4.46Å; D216-I229 PolarHBondContact N-O 2.03Å; D216-I229 PolarHBondContact O-N 2.92Å |
| 217 | G | 95.6 | Very high | 95.7 | Very high | 30 Ų | 30 | 64.7 Ų | 64.7 | 31% | 0.309 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 120.6 | -161.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y214 T227 | Y214-G217 VanDerWaalsContact OH-C 3.32Å; Y214-G217 PolarHBondContact OH-N 3.31Å; Y214-G217 VanDerWaalsContact OH-N 3.11Å; Y214-G217 PolarHBondContact OH-O 3.09Å; G217-T227 CarbonylContact C-O 3.48Å; G217-T227 VanDerWaalsContact CA-O 3.29Å; G217-T227 WeakPolarHBondContact CA-O 3.29Å |
| 218 | S | 95.6 | Very high | 95.9 | Very high | 33 Ų | 33 | 64.3 Ų | 64.3 | 23% | 0.231 | 35% | 0.346 | C | S | . | . | P | Polyproline II helix | trans | -60.4 | 148.5 | 178.3 | 62.3 | 0 | 0 | 0 | 0 | 112.6 | H222 A226 T227 V228 | S218-H222 PolarHBondContact O-CE1 2.9Å; S218-H222 VanDerWaalsContact O-CE1 3.22Å; S218-H222 PolarHBondContact OG-ND1 3.22Å; S218-A226 WeakPolarHBondContact OG-CB 3.4Å; S218-T227 PolarHBondContact N-O 2.91Å; S218-T227 PolarHBondContact OG-O 3.43Å; S218-T227 VanDerWaalsContact OG-O 3.08Å; S218-V228 WeakPolarHBondContact OG-CG1 3.21Å |
| 219 | R | 94.1 | Very high | 96 | Very high | 177 Ų | 177 | 61.1 Ų | 61.1 | 67% | 0.668 | 32% | 0.324 | S | S | * | . | P | Polyproline II helix | trans | -100.9 | 158.1 | 167.8 | -66.3 | -64.4 | -173.8 | 168.8 | 0.1 | 110 | ||
| 220 | P | 92.8 | Very high | 96.1 | Very high | 71 Ų | 71 | 62 Ų | 62 | 46% | 0.461 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -60.5 | 144.6 | 176.9 | -20.9 | 32.7 | 0 | 0 | 0 | 111.5 | D206 | D206-P220 VanDerWaalsContact OD1-CG 3.27Å; D206-P220 WeakPolarHBondContact OD1-CG 3Å; D206-P220 WeakPolarHBondContact OD2-CG 3.44Å |
| 221 | P | 93.8 | Very high | 96.1 | Very high | 76 Ų | 76 | 61.9 Ų | 61.9 | 49% | 0.494 | 32% | 0.321 | S | S | . | . | S | Bend | cis | -77.5 | 133.8 | 0.4 | 30.6 | -34.2 | 0 | 0 | 0 | 113.3 | R223 | P221-R223 PolarHBondContact O-N 2.86Š|
| 222 | H | 95.6 | Very high | 96.2 | Very high | 4 Ų | 4 | 59.6 Ų | 59.6 | 2% | 0.019 | 31% | 0.31 | C | S | . | . | B | Isolated β-bridge | trans | -83.3 | 104.3 | -177.7 | -59.4 | -70.7 | 0 | 0 | 0 | 112 | E203 C204 D206 S218 A226 W252 | E203-H222 CarbonylContact C-O 3.53Å; E203-H222 VanDerWaalsContact CA-O 3.31Å; E203-H222 WeakPolarHBondContact CA-O 3.47Å; C204-H222 HydrophobicContact CB-CB 4.17Å; C204-H222 PolarHBondContact N-O 3.14Å; D206-H222 IonicContact OD1-CD2 3.17Å; D206-H222 PolarHBondContact OD1-CD2 2.92Å; D206-H222 IonicContact OD1-NE2 3.64Å; D206-H222 PolarHBondContact OD1-NE2 3.38Å; D206-H222 VanDerWaalsContact OD1-NE2 3.14Å; S218-H222 PolarHBondContact O-CE1 2.9Å; S218-H222 VanDerWaalsContact O-CE1 3.22Å; S218-H222 PolarHBondContact OG-ND1 3.22Å; H222-A226 HydrophobicContact CB-CB 4.13Å; H222-W252 HydrophobicContact CB-CH2 3.9Å; H222-W252 HydrophobicContact CB-CZ2 3.9Å; H222-W252 AromaticContact CD2-CZ2 3.8Å; H222-W252 AromaticContact CG-CH2 3.81Å; H222-W252 AromaticContact CG-CZ2 3.75Å; H222-W252 AromaticContact ND1-CH2 3.97Å |
| 223 | R | 95.1 | Very high | 96.1 | Very high | 64 Ų | 64 | 64 Ų | 64 | 24% | 0.242 | 33% | 0.326 | C | S | . | . | trans | -80.4 | 175.1 | 178.5 | -61.4 | -59 | -171.8 | -165.7 | -0.6 | 113.4 | W201 V202 E203 P221 K225 A226 C246 | W201-R223 VanDerWaalsContact CZ2-CZ 3.48Å; V202-R223 WeakPolarHBondContact O-CD 3.45Å; E203-R223 IonicContact OE2-NH1 3.81Å; P221-R223 PolarHBondContact O-N 2.86Å; R223-K225 PolarHBondContact O-N 3.17Å; R223-A226 WeakPolarHBondContact O-CB 3.4Å; R223-A226 PolarHBondContact O-N 2.73Å; R223-C246 WeakPolarHBondContact O-CB 3.27Å | ||
| 224 | H | 96.3 | Very high | 96.1 | Very high | 55 Ų | 55 | 70.7 Ų | 70.7 | 26% | 0.255 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.5 | 137 | 172.6 | 179.8 | -130 | 0 | 0 | 0 | 111.9 | T177 V202 A226 | T177-H224 HydrophobicContact CG2-CB 3.95Å; T177-H224 WeakPolarHBondContact CG2-ND1 3.44Å; T177-H224 WeakPolarHBondContact OG1-CB 3.23Å; V202-H224 HydrophobicContact CB-CB 3.91Å; V202-H224 HydrophobicContact CG1-CB 3.83Å; V202-H224 HydrophobicContact CG2-CB 4.18Å; H224-A226 PolarHBondContact O-N 3.31Å |
| 225 | K | 95.9 | Very high | 95.9 | Very high | 151 Ų | 151 | 69.2 Ų | 69.2 | 66% | 0.657 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.4 | 7.2 | -174.2 | -56.9 | 179.1 | 177.3 | -178.7 | 0 | 115.1 | R223 T227 C246 | R223-K225 PolarHBondContact O-N 3.17Å; K225-T227 PolarHBondContact O-N 2.82Å; K225-C246 PolarHBondContact N-O 2.84Å |
| 226 | A | 96.9 | Very high | 95.8 | Very high | 14 Ų | 14 | 68.7 Ų | 68.7 | 12% | 0.116 | 35% | 0.35 | C | S | . | . | trans | -60.8 | 131.9 | 170.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | S218 H222 R223 H224 T245 C246 W252 | S218-A226 WeakPolarHBondContact OG-CB 3.4Å; H222-A226 HydrophobicContact CB-CB 4.13Å; R223-A226 WeakPolarHBondContact O-CB 3.4Å; R223-A226 PolarHBondContact O-N 2.73Å; H224-A226 PolarHBondContact O-N 3.31Å; A226-T245 CarbonylContact O-C 3.53Å; A226-T245 VanDerWaalsContact O-CA 3.32Å; A226-T245 WeakPolarHBondContact O-CA 3.32Å; A226-C246 HydrophobicContact CB-CB 4.26Å; A226-C246 PolarHBondContact O-N 3.45Å; A226-W252 WeakPolarHBondContact O-CZ3 3.04Å | ||
| 227 | T | 98 | Very high | 95.7 | Very high | 51 Ų | 51 | 70.2 Ų | 70.2 | 31% | 0.313 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 141.5 | 179.5 | -57.8 | 0 | 0 | 0 | 0 | 110 | G217 S218 K225 T243 L244 T245 | G217-T227 CarbonylContact C-O 3.48Å; G217-T227 VanDerWaalsContact CA-O 3.29Å; G217-T227 WeakPolarHBondContact CA-O 3.29Å; S218-T227 PolarHBondContact N-O 2.91Å; S218-T227 PolarHBondContact OG-O 3.43Å; S218-T227 VanDerWaalsContact OG-O 3.08Å; K225-T227 PolarHBondContact O-N 2.82Å; T227-T243 HydrophobicContact CG2-CG2 3.48Å; T227-T243 VanDerWaalsContact CG2-CG2 3.48Å; T227-L244 CarbonylContact C-O 3.5Å; T227-L244 WeakPolarHBondContact CA-O 3.4Å; T227-L244 WeakPolarHBondContact CG2-O 3.47Å; T227-T245 PolarHBondContact OG1-OG1 2.84Å |
| 228 | V | 97.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 70.8 Ų | 70.8 | 0% | 0 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 145.8 | 173.5 | -64.4 | 0 | 0 | 0 | 0 | 109.7 | P207 Y214 S218 Y230 T243 L244 W252 | P207-V228 HydrophobicContact CG-CG2 3.96Å; Y214-V228 HydrophobicContact CE2-CB 4.43Å; Y214-V228 HydrophobicContact CE2-CG1 4.37Å; S218-V228 WeakPolarHBondContact OG-CG1 3.21Å; V228-Y230 HydrophobicContact CB-CD2 4.49Å; V228-Y230 HydrophobicContact CB-CE2 3.97Å; V228-Y230 HydrophobicContact CG2-CD2 4.22Å; V228-Y230 HydrophobicContact CG2-CE2 3.73Å; V228-T243 WeakPolarHBondContact O-CA 3.37Å; V228-L244 HydrophobicContact CG2-CB 3.88Å; V228-L244 HydrophobicContact CG2-CD1 4.4Å; V228-L244 PolarHBondContact N-O 3.26Å; V228-L244 PolarHBondContact O-N 2.84Å; V228-W252 HydrophobicContact CB-CH2 4.41Å; V228-W252 HydrophobicContact CG1-CH2 3.84Å; V228-W252 HydrophobicContact CG1-CZ3 4.36Å; V228-W252 HydrophobicContact CG2-CE3 4.15Å; V228-W252 HydrophobicContact CG2-CH2 3.69Å; V228-W252 HydrophobicContact CG2-CZ2 4.25Å; V228-W252 HydrophobicContact CG2-CZ3 3.63Å |
| 229 | I | 97.8 | Very high | 95.8 | Very high | 56 Ų | 56 | 73.4 Ų | 73.4 | 29% | 0.287 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 126 | -176 | -55.4 | 177 | 0 | 0 | 0 | 108.7 | I215 D216 G242 T243 | I215-I229 HydrophobicContact CB-CG2 4.23Å; I215-I229 PolarHBondContact N-O 3.22Å; D216-I229 HydrophobicContact CB-CD1 4.46Å; D216-I229 PolarHBondContact N-O 2.03Å; D216-I229 PolarHBondContact O-N 2.92Å; I229-G242 CarbonylContact C-O 3.59Å; I229-G242 WeakPolarHBondContact CA-O 3.2Å; I229-T243 HydrophobicContact CG1-CG2 4.19Å |
| 230 | Y | 97.2 | Very high | 95.8 | Very high | 34 Ų | 34 | 67.8 Ų | 67.8 | 13% | 0.133 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 151.1 | 176.8 | -73.5 | -98.6 | 0 | 0 | 0 | 110.9 | P207 I209 A212 V213 Y214 V228 M238 G242 | P207-Y230 HydrophobicContact CB-CE2 4.19Å; P207-Y230 HydrophobicContact CG-CE2 4.01Å; I209-Y230 HydrophobicContact CD1-CD1 4.06Å; I209-Y230 HydrophobicContact CD1-CD2 3.97Å; I209-Y230 HydrophobicContact CD1-CE2 4.48Å; I209-Y230 HydrophobicContact CD1-CG 3.75Å; A212-Y230 HydrophobicContact CB-CD1 4.11Å; V213-Y230 VanDerWaalsContact O-CA 3.31Å; V213-Y230 WeakPolarHBondContact O-CA 3.48Å; Y214-Y230 HydrophobicContact CD2-CE2 4.33Å; V228-Y230 HydrophobicContact CB-CD2 4.49Å; V228-Y230 HydrophobicContact CB-CE2 3.97Å; V228-Y230 HydrophobicContact CG2-CD2 4.22Å; V228-Y230 HydrophobicContact CG2-CE2 3.73Å; Y230-M238 WeakPolarHBondContact O-CE 3.43Å; Y230-G242 PolarHBondContact N-O 3.33Å |
| 231 | N | 97.1 | Very high | 96 | Very high | 91 Ų | 91 | 69.7 Ų | 69.7 | 49% | 0.487 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 153.8 | 167.3 | -164.3 | 15.6 | 0 | 0 | 0 | 110.2 | A212 V213 I215 | A212-N231 CarbonylContact C-O 3.46Å; A212-N231 VanDerWaalsContact CA-O 3.23Å; A212-N231 WeakPolarHBondContact CA-O 3.49Å; A212-N231 WeakPolarHBondContact CB-O 3.31Å; V213-N231 HydrophobicContact CG2-CB 4.41Å; V213-N231 WeakPolarHBondContact CG2-O 3.34Å; V213-N231 PolarHBondContact N-O 2.74Å; V213-N231 PolarHBondContact O-N 3.16Å; I215-N231 HydrophobicContact CD1-CB 3.88Å; I215-N231 HydrophobicContact CG1-CB 3.73Å |
| 232 | C | 97 | Very high | 96 | Very high | 13 Ų | 13 | 66.6 Ų | 66.6 | 9% | 0.088 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 145.2 | 175.7 | -63.6 | 0 | 0 | 0 | 0 | 111.1 | K237 M238 C259 | C232-K237 VanDerWaalsContact SG-C 3.58Å; C232-M238 WeakPolarHBondContact SG-CA 3.31Å; C232-M238 PolarHBondContact SG-N 3.08Å; C232-M238 VanDerWaalsContact SG-N 3.41Å; C232-C259 WeakPolarHBondContact CA-SG 3.19Å; C232-C259 HydrophobicContact CB-CB 3.9Å; C232-C259 WeakPolarHBondContact CB-SG 3.26Å; C232-C259 VanDerWaalsContact SG-CA 3.51Å; C232-C259 WeakPolarHBondContact SG-CB 3.08Å; C232-C259 CovalentContact SG-SG 2.04Å; C232-C259 PolarHBondContact SG-SG 2.79Å |
| 233 | K | 95.9 | Very high | 96.1 | Very high | 106 Ų | 106 | 68.7 Ų | 68.7 | 46% | 0.461 | 35% | 0.353 | S | S | . | . | P | Polyproline II helix | trans | -62.9 | 160.8 | 170.9 | -69.3 | -180 | -176.2 | -179.2 | 0 | 110.1 | N211 A212 V213 G235 Y236 | N211-K233 WeakPolarHBondContact O-CB 3.4Å; N211-K233 WeakPolarHBondContact O-CG 3.42Å; N211-K233 PolarHBondContact O-N 2.75Å; A212-K233 WeakPolarHBondContact O-CE 2.96Å; V213-K233 HydrophobicContact CG1-CD 4.36Å; V213-K233 HydrophobicContact CG1-CG 3.72Å; K233-G235 PolarHBondContact O-N 3.4Å; K233-Y236 PolarHBondContact O-N 2.79Å; K233-Y236 VanDerWaalsContact O-N 3.1Å |
| 234 | H | 94.6 | Very high | 96.2 | Very high | 200 Ų | 200 | 65.7 Ų | 65.7 | 93% | 0.926 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.3 | 137.2 | 176.8 | -171 | -113.4 | 0 | 0 | 0 | 111.5 | ||
| 235 | G | 92.7 | Very high | 96.3 | Very high | 32 Ų | 32 | 65.4 Ų | 65.4 | 33% | 0.33 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 88.1 | -4.4 | -174.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | K233 N262 | K233-G235 PolarHBondContact O-N 3.4Å; G235-N262 WeakPolarHBondContact O-CB 3.37Å; G235-N262 PolarHBondContact O-N 2.87Å |
| 236 | Y | 96.1 | Very high | 96.4 | Very high | 83 Ų | 83 | 58.2 Ų | 58.2 | 33% | 0.325 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 152.5 | 176.9 | -64.2 | -97.8 | 0 | 0 | 0 | 111.7 | N211 K233 C259 I260 | N211-Y236 HydrophobicContact CB-CD1 3.76Å; N211-Y236 HydrophobicContact CB-CD2 3.78Å; N211-Y236 HydrophobicContact CB-CE1 3.79Å; N211-Y236 HydrophobicContact CB-CE2 3.79Å; N211-Y236 HydrophobicContact CB-CG 3.78Å; N211-Y236 WeakPolarHBondContact ND2-CE1 3.23Å; K233-Y236 PolarHBondContact O-N 2.79Å; K233-Y236 VanDerWaalsContact O-N 3.1Å; Y236-C259 HydrophobicContact CD1-CB 4.32Å; Y236-C259 HydrophobicContact CG-CB 4.44Å; Y236-I260 CarbonylContact C-O 3.49Å; Y236-I260 VanDerWaalsContact CA-O 3.26Å; Y236-I260 WeakPolarHBondContact CA-O 3.47Å |
| 237 | K | 94.8 | Very high | 96.4 | Very high | 134 Ų | 134 | 59.6 Ų | 59.6 | 58% | 0.583 | 32% | 0.318 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 142.4 | 173.9 | 174.1 | 178.3 | -178.8 | -175.5 | 0 | 110 | C232 C259 I260 N262 | C232-K237 VanDerWaalsContact SG-C 3.58Å; K237-C259 WeakPolarHBondContact O-CA 3.47Å; K237-I260 HydrophobicContact CB-CG1 4.35Å; K237-I260 PolarHBondContact N-O 2.85Å; K237-I260 VanDerWaalsContact O-CG1 3.26Å; K237-I260 WeakPolarHBondContact O-CG1 3.39Å; K237-I260 PolarHBondContact O-N 2.79Å; K237-N262 WeakPolarHBondContact CB-OD1 3.16Å; K237-N262 PolarHBondContact N-OD1 3.11Å |
| 238 | M | 95.4 | Very high | 96.3 | Very high | 41 Ų | 41 | 59.5 Ų | 59.5 | 20% | 0.202 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 127.5 | 179.2 | -171.9 | 154.9 | -77.6 | 0 | 0 | 111.6 | Y230 C232 G242 P257 | Y230-M238 WeakPolarHBondContact O-CE 3.43Å; C232-M238 WeakPolarHBondContact SG-CA 3.31Å; C232-M238 PolarHBondContact SG-N 3.08Å; C232-M238 VanDerWaalsContact SG-N 3.41Å; M238-G242 WeakPolarHBondContact SD-CA 3.42Å; M238-G242 PolarHBondContact SD-N 3.46Å; M238-P257 HydrophobicContact CE-CG 4.39Å; M238-P257 HydrophobicContact CG-CB 4.25Å; M238-P257 HydrophobicContact SD-CG 4.47Å |
| 239 | N | 96.4 | Very high | 96.1 | Very high | 89 Ų | 89 | 63.2 Ų | 63.2 | 48% | 0.476 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 105.9 | 168.9 | -175.4 | 29 | 0 | 0 | 0 | 108.9 | P257 E258 I260 | N239-P257 WeakPolarHBondContact O-CA 3.44Å; N239-P257 WeakPolarHBondContact O-CB 3.26Å; N239-E258 WeakPolarHBondContact CB-O 3.26Å; N239-E258 PolarHBondContact N-O 3.43Å; N239-E258 PolarHBondContact O-N 3.43Å; N239-I260 HydrophobicContact CB-CD1 4.42Å; N239-I260 HydrophobicContact CB-CG1 4.43Å; N239-I260 HydrophobicContact CB-CG2 4.22Å |
| 240 | G | 94.7 | Very high | 96.1 | Very high | 59 Ų | 59 | 62.8 Ų | 62.8 | 61% | 0.608 | 34% | 0.343 | S | S | * | . | S | Bend | trans | 109.9 | -161.9 | -170.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 241 | Q | 96.2 | Very high | 96.1 | Very high | 110 Ų | 110 | 67.1 Ų | 67.1 | 51% | 0.514 | 37% | 0.365 | S | S | . | . | trans | -103.9 | 129.6 | -178.4 | -169.6 | 173.7 | -9.8 | 0 | 0 | 110.7 | T243 P254 P257 | Q241-T243 VanDerWaalsContact C-N 3.28Å; Q241-T243 PolarHBondContact O-N 2.82Å; Q241-P254 HydrophobicContact CB-CG 3.57Å; Q241-P254 HydrophobicContact CG-CG 4.21Å; Q241-P257 WeakPolarHBondContact O-CG 3.43Å | ||
| 242 | G | 94.6 | Very high | 96.1 | Very high | 12 Ų | 12 | 63.9 Ų | 63.9 | 12% | 0.124 | 35% | 0.346 | C | S | . | . | S | Bend | trans | -75.6 | -15.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | I229 Y230 M238 | I229-G242 CarbonylContact C-O 3.59Å; I229-G242 WeakPolarHBondContact CA-O 3.2Å; Y230-G242 PolarHBondContact N-O 3.33Å; M238-G242 WeakPolarHBondContact SD-CA 3.42Å; M238-G242 PolarHBondContact SD-N 3.46Å |
| 243 | T | 97.7 | Very high | 96.1 | Very high | 48 Ų | 48 | 71.3 Ų | 71.3 | 29% | 0.294 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 119.7 | 175.5 | -52.5 | 0 | 0 | 0 | 0 | 109.6 | T227 V228 I229 Q241 | T227-T243 HydrophobicContact CG2-CG2 3.48Å; T227-T243 VanDerWaalsContact CG2-CG2 3.48Å; V228-T243 WeakPolarHBondContact O-CA 3.37Å; I229-T243 HydrophobicContact CG1-CG2 4.19Å; Q241-T243 VanDerWaalsContact C-N 3.28Å; Q241-T243 PolarHBondContact O-N 2.82Å |
| 244 | L | 98 | Very high | 96.1 | Very high | 0 Ų | 0 | 67.6 Ų | 67.6 | 0% | 0 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 141.1 | 179.8 | -53.1 | 173.7 | 0 | 0 | 0 | 109.9 | P207 I209 T227 V228 W252 P254 I256 | P207-L244 HydrophobicContact CB-CD1 3.95Å; P207-L244 HydrophobicContact CG-CD1 3.83Å; I209-L244 HydrophobicContact CD1-CD1 4.34Å; T227-L244 CarbonylContact C-O 3.5Å; T227-L244 WeakPolarHBondContact CA-O 3.4Å; T227-L244 WeakPolarHBondContact CG2-O 3.47Å; V228-L244 HydrophobicContact CG2-CB 3.88Å; V228-L244 HydrophobicContact CG2-CD1 4.4Å; V228-L244 PolarHBondContact N-O 3.26Å; V228-L244 PolarHBondContact O-N 2.84Å; L244-W252 HydrophobicContact CB-CB 4.31Å; L244-W252 HydrophobicContact CB-CD2 4.14Å; L244-W252 HydrophobicContact CB-CE3 3.56Å; L244-W252 HydrophobicContact CB-CG 4.46Å; L244-W252 HydrophobicContact CB-CZ3 4.24Å; L244-W252 HydrophobicContact CD1-CB 4.44Å; L244-W252 HydrophobicContact CD1-CG 4.49Å; L244-P254 HydrophobicContact CD2-CG 4.42Å; L244-P254 WeakPolarHBondContact CD2-O 3.49Å; L244-I256 HydrophobicContact CD1-CG1 4.37Å |
| 245 | T | 98.1 | Very high | 96.1 | Very high | 49 Ų | 49 | 67.9 Ų | 67.9 | 30% | 0.301 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 130.8 | 176.7 | -56.5 | 0 | 0 | 0 | 0 | 110.3 | A226 T227 N247 W252 Y253 | A226-T245 CarbonylContact O-C 3.53Å; A226-T245 VanDerWaalsContact O-CA 3.32Å; A226-T245 WeakPolarHBondContact O-CA 3.32Å; T227-T245 PolarHBondContact OG1-OG1 2.84Å; T245-N247 PolarHBondContact O-N 2.77Å; T245-W252 VanDerWaalsContact C-CE3 3.47Å; T245-Y253 PolarHBondContact N-O 3.18Å; T245-Y253 PolarHBondContact O-N 3.49Å |
| 246 | C | 97.8 | Very high | 96.3 | Very high | 1 Ų | 1 | 69.7 Ų | 69.7 | 1% | 0.007 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 115.5 | 178.2 | -177.3 | 0 | 0 | 0 | 0 | 110.2 | C204 R223 K225 A226 W252 | C204-C246 HydrophobicContact CB-CB 3.78Å; C204-C246 WeakPolarHBondContact CB-SG 3.46Å; C204-C246 WeakPolarHBondContact SG-CA 3.47Å; C204-C246 WeakPolarHBondContact SG-CB 3.25Å; C204-C246 CovalentContact SG-SG 2.03Å; C204-C246 PolarHBondContact SG-SG 3.26Å; R223-C246 WeakPolarHBondContact O-CB 3.27Å; K225-C246 PolarHBondContact N-O 2.84Å; A226-C246 HydrophobicContact CB-CB 4.26Å; A226-C246 PolarHBondContact O-N 3.45Å; C246-W252 HydrophobicContact CB-CE3 4.19Å; C246-W252 HydrophobicContact CB-CH2 4.17Å; C246-W252 HydrophobicContact CB-CZ3 3.9Å |
| 247 | N | 96.3 | Very high | 96.3 | Very high | 42 Ų | 42 | 66.1 Ų | 66.1 | 23% | 0.225 | 34% | 0.341 | C | S | . | . | trans | -83.9 | 174.4 | -179.1 | 76.9 | 16.8 | 0 | 0 | 0 | 112.2 | V202 T245 S249 S250 Q251 | V202-N247 WeakPolarHBondContact CG1-O 3.44Å; T245-N247 PolarHBondContact O-N 2.77Å; N247-S249 PolarHBondContact O-N 2.94Å; N247-S249 WeakPolarHBondContact OD1-CA 3.45Å; N247-S249 WeakPolarHBondContact OD1-CB 3.48Å; N247-S249 PolarHBondContact OD1-N 2.04Å; N247-S250 PolarHBondContact O-N 2.78Å; N247-S250 VanDerWaalsContact O-N 3.16Å; N247-S250 PolarHBondContact OD1-N 3.38Å; N247-Q251 WeakPolarHBondContact CB-O 3.37Å; N247-Q251 PolarHBondContact N-O 3.01Å; N247-Q251 PolarHBondContact ND2-O 2.76Å; N247-Q251 PolarHBondContact OD1-N 3.1Å; N247-Q251 PolarHBondContact OD1-O 3.41Å; N247-Q251 VanDerWaalsContact OD1-O 3.09Å | ||
| 248 | I | 95.4 | Very high | 96.4 | Very high | 50 Ų | 50 | 65.2 Ų | 65.2 | 26% | 0.256 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -19.3 | -177.2 | -160.5 | 156.1 | 0 | 0 | 0 | 113.6 | T177 N179 I200 V202 S250 | T177-I248 HydrophobicContact CG2-CD1 4.31Å; T177-I248 HydrophobicContact CG2-CG1 4.47Å; N179-I248 HydrophobicContact CB-CD1 3.77Å; N179-I248 HydrophobicContact CB-CG1 4.5Å; N179-I248 WeakPolarHBondContact OD1-CD1 3.07Å; I200-I248 HydrophobicContact CD1-CD1 4.3Å; I200-I248 HydrophobicContact CD1-CG1 3.47Å; I200-I248 VanDerWaalsContact CD1-CG1 3.47Å; I200-I248 VanDerWaalsContact CD1-O 3.25Å; I200-I248 WeakPolarHBondContact CD1-O 3.4Å; I200-I248 HydrophobicContact CG1-CG1 4.41Å; V202-I248 WeakPolarHBondContact CG2-O 3.47Å; I248-S250 VanDerWaalsContact C-N 3.3Å |
| 249 | S | 95.3 | Very high | 96.5 | Very high | 78 Ų | 78 | 64 Ų | 64 | 55% | 0.545 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | 13.7 | 177.7 | -54.3 | 0 | 0 | 0 | 0 | 112.9 | N247 Q251 | N247-S249 PolarHBondContact O-N 2.94Å; N247-S249 WeakPolarHBondContact OD1-CA 3.45Å; N247-S249 WeakPolarHBondContact OD1-CB 3.48Å; N247-S249 PolarHBondContact OD1-N 2.04Å; S249-Q251 VanDerWaalsContact C-N 3.3Å; S249-Q251 PolarHBondContact O-N 2.87Å |
| 250 | S | 96.4 | Very high | 96.4 | Very high | 47 Ų | 47 | 63.7 Ų | 63.7 | 33% | 0.329 | 33% | 0.332 | S | S | . | . | S | Bend | trans | 59.4 | 37.1 | -175.2 | -56.5 | 0 | 0 | 0 | 0 | 113.5 | E203 N247 I248 | E203-S250 PolarHBondContact N-OG 3.46Å; E203-S250 WeakPolarHBondContact O-CB 3.2Å; N247-S250 PolarHBondContact O-N 2.78Å; N247-S250 VanDerWaalsContact O-N 3.16Å; N247-S250 PolarHBondContact OD1-N 3.38Å; I248-S250 VanDerWaalsContact C-N 3.3Å |
| 251 | Q | 97.1 | Very high | 96.3 | Very high | 124 Ų | 124 | 64.5 Ų | 64.5 | 58% | 0.579 | 33% | 0.328 | S | S | * | . | trans | -125.1 | 148.8 | 176 | -62.9 | 176.4 | 3 | 0 | 0 | 111.3 | N247 S249 | N247-Q251 WeakPolarHBondContact CB-O 3.37Å; N247-Q251 PolarHBondContact N-O 3.01Å; N247-Q251 PolarHBondContact ND2-O 2.76Å; N247-Q251 PolarHBondContact OD1-N 3.1Å; N247-Q251 PolarHBondContact OD1-O 3.41Å; N247-Q251 VanDerWaalsContact OD1-O 3.09Å; S249-Q251 VanDerWaalsContact C-N 3.3Å; S249-Q251 PolarHBondContact O-N 2.87Å | ||
| 252 | W | 97.6 | Very high | 95.6 | Very high | 24 Ų | 24 | 62.7 Ų | 62.7 | 9% | 0.091 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 132.5 | 174.2 | -68.5 | 107.2 | 0 | 0 | 0 | 111.4 | C204 K205 P207 H222 A226 V228 L244 T245 C246 P254 I256 | C204-W252 HydrophobicContact CB-CD2 4.21Å; C204-W252 HydrophobicContact CB-CH2 4.34Å; C204-W252 HydrophobicContact CB-CZ2 3.63Å; K205-W252 PolarHBondContact O-NE1 3.42Å; P207-W252 HydrophobicContact CG-CD2 4.03Å; P207-W252 HydrophobicContact CG-CG 4.24Å; P207-W252 HydrophobicContact CG-CZ2 3.96Å; H222-W252 HydrophobicContact CB-CH2 3.9Å; H222-W252 HydrophobicContact CB-CZ2 3.9Å; H222-W252 AromaticContact CD2-CZ2 3.8Å; H222-W252 AromaticContact CG-CH2 3.81Å; H222-W252 AromaticContact CG-CZ2 3.75Å; H222-W252 AromaticContact ND1-CH2 3.97Å; A226-W252 WeakPolarHBondContact O-CZ3 3.04Å; V228-W252 HydrophobicContact CB-CH2 4.41Å; V228-W252 HydrophobicContact CG1-CH2 3.84Å; V228-W252 HydrophobicContact CG1-CZ3 4.36Å; V228-W252 HydrophobicContact CG2-CE3 4.15Å; V228-W252 HydrophobicContact CG2-CH2 3.69Å; V228-W252 HydrophobicContact CG2-CZ2 4.25Å; V228-W252 HydrophobicContact CG2-CZ3 3.63Å; L244-W252 HydrophobicContact CB-CB 4.31Å; L244-W252 HydrophobicContact CB-CD2 4.14Å; L244-W252 HydrophobicContact CB-CE3 3.56Å; L244-W252 HydrophobicContact CB-CG 4.46Å; L244-W252 HydrophobicContact CB-CZ3 4.24Å; L244-W252 HydrophobicContact CD1-CB 4.44Å; L244-W252 HydrophobicContact CD1-CG 4.49Å; T245-W252 VanDerWaalsContact C-CE3 3.47Å; C246-W252 HydrophobicContact CB-CE3 4.19Å; C246-W252 HydrophobicContact CB-CH2 4.17Å; C246-W252 HydrophobicContact CB-CZ3 3.9Å; W252-P254 CarbonylContact C-O 3.36Å; W252-I256 HydrophobicContact CB-CG1 4.13Å; W252-I256 HydrophobicContact CG-CG1 4.5Å |
| 253 | Y | 96.8 | Very high | 94.2 | Very high | 168 Ų | 168 | 65.7 Ų | 65.7 | 66% | 0.659 | 35% | 0.353 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 133.6 | 174.4 | -177.3 | -93.5 | 0 | 0 | 0 | 111.6 | T245 | T245-Y253 PolarHBondContact N-O 3.18Å; T245-Y253 PolarHBondContact O-N 3.49Å |
| 254 | P | 95.9 | Very high | 92.3 | Very high | 28 Ų | 28 | 70.6 Ų | 70.6 | 18% | 0.182 | 38% | 0.377 | C | S | . | . | S | Bend | cis | -60.2 | 171.9 | -10.4 | 30.4 | -37.1 | 0 | 0 | 0 | 111.4 | Q241 L244 W252 | Q241-P254 HydrophobicContact CB-CG 3.57Å; Q241-P254 HydrophobicContact CG-CG 4.21Å; L244-P254 HydrophobicContact CD2-CG 4.42Å; L244-P254 WeakPolarHBondContact CD2-O 3.49Å; W252-P254 CarbonylContact C-O 3.36Å |
| 255 | R | 95.3 | Very high | 90.1 | Very high | 207 Ų | 207 | 74.4 Ų | 74.4 | 78% | 0.781 | 41% | 0.409 | S | S | * | . | P | Polyproline II helix | trans | -50.9 | 149.8 | 179.1 | 68.6 | -174.5 | -73.8 | 173.8 | -3.6 | 110.9 | ||
| 256 | I | 96.3 | Very high | 87.8 | Confident | 70 Ų | 70 | 78.4 Ų | 78.4 | 36% | 0.359 | 43% | 0.433 | S | S | . | . | P | Polyproline II helix | trans | -52.7 | 127.2 | 179.6 | -60.6 | 177.7 | 0 | 0 | 0 | 109.8 | P207 I209 L244 W252 | P207-I256 HydrophobicContact CB-CD1 4.32Å; I209-I256 HydrophobicContact CD1-CG2 4.09Å; I209-I256 HydrophobicContact CG1-CG2 3.42Å; I209-I256 VanDerWaalsContact CG1-CG2 3.42Å; L244-I256 HydrophobicContact CD1-CG1 4.37Å; W252-I256 HydrophobicContact CB-CG1 4.13Å; W252-I256 HydrophobicContact CG-CG1 4.5Å |
| 257 | P | 96.5 | Very high | 85.6 | Confident | 7 Ų | 7 | 85 Ų | 85 | 5% | 0.045 | 47% | 0.472 | C | S | . | . | P | Polyproline II helix | trans | -79.6 | 168.3 | -176.2 | 34.9 | -38.3 | 0 | 0 | 0 | 111.4 | I209 M238 N239 Q241 | I209-P257 HydrophobicContact CD1-CG 3.8Å; I209-P257 HydrophobicContact CG1-CG 4.45Å; I209-P257 WeakPolarHBondContact CG2-O 3.47Å; M238-P257 HydrophobicContact CE-CG 4.39Å; M238-P257 HydrophobicContact CG-CB 4.25Å; M238-P257 HydrophobicContact SD-CG 4.47Å; N239-P257 WeakPolarHBondContact O-CA 3.44Å; N239-P257 WeakPolarHBondContact O-CB 3.26Å; Q241-P257 WeakPolarHBondContact O-CG 3.43Å |
| 258 | E | 97.1 | Very high | 83.2 | Confident | 116 Ų | 116 | 86.3 Ų | 86.3 | 54% | 0.542 | 50% | 0.497 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 140.9 | 176.7 | -68.5 | 176.2 | -173.8 | 0 | 0 | 110.6 | N239 | N239-E258 WeakPolarHBondContact CB-O 3.26Å; N239-E258 PolarHBondContact N-O 3.43Å; N239-E258 PolarHBondContact O-N 3.43Å |
| 259 | C | 96.9 | Very high | 80.6 | Confident | 16 Ų | 16 | 87.1 Ų | 87.1 | 11% | 0.108 | 52% | 0.517 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 109.4 | 170.8 | -71.9 | 0 | 0 | 0 | 0 | 109.4 | P210 N211 C232 Y236 K237 | P210-C259 WeakPolarHBondContact O-CB 3.37Å; N211-C259 HydrophobicContact CB-CB 4.11Å; C232-C259 WeakPolarHBondContact CA-SG 3.19Å; C232-C259 HydrophobicContact CB-CB 3.9Å; C232-C259 WeakPolarHBondContact CB-SG 3.26Å; C232-C259 VanDerWaalsContact SG-CA 3.51Å; C232-C259 WeakPolarHBondContact SG-CB 3.08Å; C232-C259 CovalentContact SG-SG 2.04Å; C232-C259 PolarHBondContact SG-SG 2.79Å; Y236-C259 HydrophobicContact CD1-CB 4.32Å; Y236-C259 HydrophobicContact CG-CB 4.44Å; K237-C259 WeakPolarHBondContact O-CA 3.47Å |
| 260 | I | 95.7 | Very high | 77.9 | Confident | 82 Ų | 82 | 89.1 Ų | 89.1 | 42% | 0.421 | 53% | 0.531 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 139.3 | 179.6 | 57 | 170.9 | 0 | 0 | 0 | 110.1 | Y236 K237 N239 N262 | Y236-I260 CarbonylContact C-O 3.49Å; Y236-I260 VanDerWaalsContact CA-O 3.26Å; Y236-I260 WeakPolarHBondContact CA-O 3.47Å; K237-I260 HydrophobicContact CB-CG1 4.35Å; K237-I260 PolarHBondContact N-O 2.85Å; K237-I260 VanDerWaalsContact O-CG1 3.26Å; K237-I260 WeakPolarHBondContact O-CG1 3.39Å; K237-I260 PolarHBondContact O-N 2.79Å; N239-I260 HydrophobicContact CB-CD1 4.42Å; N239-I260 HydrophobicContact CB-CG1 4.43Å; N239-I260 HydrophobicContact CB-CG2 4.22Å; I260-N262 PolarHBondContact O-N 2.89Å |
| 261 | S | 92.4 | Very high | 75.4 | Confident | 75 Ų | 75 | 95.2 Ų | 95.2 | 52% | 0.524 | 56% | 0.559 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -63.6 | 131.3 | 178.3 | 56.1 | 0 | 0 | 0 | 0 | 110.3 | G263 | S261-G263 PolarHBondContact O-N 2.63Å |
| 262 | N | 80.3 | Confident | 72.5 | Confident | 73 Ų | 73 | 92.8 Ų | 92.8 | 39% | 0.39 | 57% | 0.567 | S | S | . | * | P | Polyproline II helix | trans | -65.8 | 117.3 | 163 | -61.9 | -25.1 | 0 | 0 | 0 | 105.1 | G235 K237 I260 N264 A265 | G235-N262 WeakPolarHBondContact O-CB 3.37Å; G235-N262 PolarHBondContact O-N 2.87Å; K237-N262 WeakPolarHBondContact CB-OD1 3.16Å; K237-N262 PolarHBondContact N-OD1 3.11Å; I260-N262 PolarHBondContact O-N 2.89Å; N262-N264 PolarHBondContact O-N 3.2Å; N262-A265 PolarHBondContact O-N 3.49Å |
| 263 | G | 66.6 | Low | 69.7 | Low | 75 Ų | 75 | 95.3 Ų | 95.3 | 77% | 0.773 | 60% | 0.601 | S | S | * | * | S | Bend | trans | -57.9 | 17.9 | -168.3 | 0 | 0 | 0 | 0 | 0 | 118.2 | S261 | S261-G263 PolarHBondContact O-N 2.63Š|
| 264 | N | 57.6 | Low | 66.9 | Low | 151 Ų | 151 | 96 Ų | 96 | 81% | 0.807 | 62% | 0.615 | S | S | * | * | trans | -120.7 | 54.6 | 170.5 | -63.5 | -15.4 | 0 | 0 | 0 | 110.3 | N262 V266 | N262-N264 PolarHBondContact O-N 3.2Å; N264-V266 VanDerWaalsContact C-N 3.27Å; N264-V266 PolarHBondContact O-N 3.36Å | ||
| 265 | A | 52.1 | Low | 64 | Low | 80 Ų | 80 | 102.6 Ų | 102.6 | 66% | 0.661 | 64% | 0.643 | S | S | * | * | trans | -77.3 | 90.3 | 154.7 | 0 | 0 | 0 | 0 | 0 | 106.2 | N262 V267 | N262-A265 PolarHBondContact O-N 3.49Å; A265-V267 PolarHBondContact O-N 3.06Å | ||
| 266 | V | 49.3 | Very low | 61.3 | Low | 132 Ų | 132 | 98.3 Ų | 98.3 | 80% | 0.8 | 65% | 0.645 | S | S | * | * | trans | -54.8 | 113.2 | 168.6 | -175 | 0 | 0 | 0 | 0 | 105.9 | N264 G268 | N264-V266 VanDerWaalsContact C-N 3.27Å; N264-V266 PolarHBondContact O-N 3.36Å; V266-G268 PolarHBondContact O-N 2.82Å | ||
| 267 | V | 51.2 | Low | 58.6 | Low | 139 Ų | 139 | 104.2 Ų | 104.2 | 84% | 0.842 | 67% | 0.669 | S | S | * | * | trans | -62.6 | 91.6 | 168.4 | -178.8 | 0 | 0 | 0 | 0 | 105.4 | A265 G269 | A265-V267 PolarHBondContact O-N 3.06Å; V267-G269 PolarHBondContact O-N 2.79Å | ||
| 268 | G | 45.7 | Very low | 55.9 | Low | 71 Ų | 71 | 109 Ų | 109 | 73% | 0.732 | 70% | 0.702 | S | S | * | * | trans | -69.1 | 75.1 | 169.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | V266 S270 | V266-G268 PolarHBondContact O-N 2.82Å; G268-S270 PolarHBondContact O-N 2.97Å | ||
| 269 | G | 40.5 | Very low | 53.2 | Low | 67 Ų | 67 | 108.9 Ų | 108.9 | 69% | 0.691 | 71% | 0.714 | S | S | * | * | trans | -63.3 | 101.8 | 164 | 0 | 0 | 0 | 0 | 0 | 107.9 | V267 | V267-G269 PolarHBondContact O-N 2.79Š| ||
| 270 | S | 38.6 | Very low | 50.6 | Low | 119 Ų | 119 | 113.6 Ų | 113.6 | 83% | 0.832 | 75% | 0.747 | S | S | * | * | trans | -70.4 | 136.9 | 172.5 | -156.8 | 0 | 0 | 0 | 0 | 109.5 | G268 G272 | G268-S270 PolarHBondContact O-N 2.97Å; S270-G272 PolarHBondContact O-N 3.17Å | ||
| 271 | L | 44.7 | Very low | 48.4 | Very low | 176 Ų | 176 | 115.5 Ų | 115.5 | 92% | 0.921 | 76% | 0.763 | S | S | * | * | trans | -55.3 | 118.9 | -178.7 | -69.6 | 134.3 | 0 | 0 | 0 | 111.5 | ||||
| 272 | G | 36.7 | Very low | 45.7 | Very low | 73 Ų | 73 | 119.3 Ų | 119.3 | 75% | 0.753 | 78% | 0.776 | S | S | * | * | trans | -113.3 | 113.3 | 162 | 0 | 0 | 0 | 0 | 0 | 108.7 | S270 | S270-G272 PolarHBondContact O-N 3.17Š| ||
| 273 | G | 38.1 | Very low | 44.4 | Very low | 77 Ų | 77 | 121.3 Ų | 121.3 | 79% | 0.794 | 79% | 0.793 | S | S | * | * | trans | -60.1 | 139.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | E275 | G273-E275 PolarHBondContact O-N 3.29Š| ||
| 274 | L | 37.1 | Very low | 43.4 | Very low | 181 Ų | 181 | 128.8 Ų | 128.8 | 95% | 0.948 | 81% | 0.813 | S | S | * | * | trans | -78.9 | 95 | 165.7 | -79.6 | 152.1 | 0 | 0 | 0 | 108.1 | ||||
| 275 | E | 36.2 | Very low | 42.7 | Very low | 167 Ų | 167 | 127.7 Ų | 127.7 | 78% | 0.78 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -83.4 | 121 | 155.6 | -78.4 | -166.2 | 159.5 | 0 | 0 | 108.9 | G273 | G273-E275 PolarHBondContact O-N 3.29Š|
| 276 | S | 38.6 | Very low | 42.2 | Very low | 118 Ų | 118 | 130.2 Ų | 130.2 | 83% | 0.825 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -71 | 116.5 | 178.3 | 49.8 | 0 | 0 | 0 | 0 | 111.4 | ||
| 277 | F | 39.5 | Very low | 41.8 | Very low | 194 Ų | 194 | 130.1 Ų | 130.1 | 85% | 0.851 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -95.8 | 118.7 | 162.4 | -78.8 | -83.1 | 0 | 0 | 0 | 110.4 | ||
| 278 | S | 40.3 | Very low | 41.2 | Very low | 108 Ų | 108 | 129.5 Ų | 129.5 | 76% | 0.755 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 137.1 | 176.9 | -174.9 | 0 | 0 | 0 | 0 | 112.2 | ||
| 279 | S | 39.6 | Very low | 41 | Very low | 112 Ų | 112 | 133.2 Ų | 133.2 | 78% | 0.783 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 134.2 | 166.1 | -73.3 | 0 | 0 | 0 | 0 | 110.2 | ||
| 280 | S | 42 | Very low | 41 | Very low | 115 Ų | 115 | 137.6 Ų | 137.6 | 80% | 0.804 | 84% | 0.836 | S | S | * | * | trans | -137.3 | 117.3 | 163.6 | -52.7 | 0 | 0 | 0 | 0 | 108 | ||||
| 281 | V | 49 | Very low | 41.2 | Very low | 123 Ų | 123 | 138.9 Ų | 138.9 | 75% | 0.745 | 84% | 0.836 | S | S | * | * | trans | -102.7 | 122.9 | -176.2 | 166.2 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 282 | L | 36.1 | Very low | 40.9 | Very low | 154 Ų | 154 | 136.1 Ų | 136.1 | 81% | 0.806 | 83% | 0.829 | S | S | * | * | trans | 58.1 | 165.4 | 147.8 | -75.1 | 168.6 | 0 | 0 | 0 | 118.2 | ||||
| 283 | P | 53.4 | Low | 41.2 | Very low | 116 Ų | 116 | 141.3 Ų | 141.3 | 75% | 0.753 | 84% | 0.836 | S | S | * | * | cis | -147.7 | -173 | 29.6 | 44.6 | -22.6 | 0 | 0 | 0 | 117.7 | ||||
| 284 | I | 45.3 | Very low | 41.5 | Very low | 231 Ų | 231 | 147.2 Ų | 147.2 | 100% | 1.185 | 84% | 0.84 | S | S | * | * | trans | -79.1 | 0 | 147.4 | -65.3 | 169.7 | 0 | 0 | 0 | 107.6 |
Retrieved 284 of 284 residues in 617.2 ms
(Link to these results)