| 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 | 36.1 | Very low | 45 | Very low | 237 Ų | 237 | 163.9 Ų | 163.9 | 100% | 1.167 | 87% | 0.874 | S | S | * | * | 0 | 116.3 | 0 | -83.2 | 172 | 157.6 | 0 | 0 | 108.9 | |||||
| 2 | L | 38.8 | Very low | 45.1 | Very low | 156 Ų | 156 | 161.9 Ų | 161.9 | 82% | 0.817 | 86% | 0.855 | S | S | * | * | trans | 45.7 | 111.3 | 141.1 | -69.1 | 163.8 | 0 | 0 | 0 | 119.5 | ||||
| 3 | R | 41.5 | Very low | 45.3 | Very low | 240 Ų | 240 | 161.3 Ų | 161.3 | 91% | 0.906 | 85% | 0.852 | S | S | * | * | 168.9 | 147.7 | 90.6 | -105 | 164.6 | 170.3 | -151.2 | -4.5 | 113.6 | |||||
| 4 | N | 44.1 | Very low | 46.1 | Very low | 174 Ų | 174 | 155.9 Ų | 155.9 | 93% | 0.93 | 83% | 0.828 | S | S | * | * | trans | -63 | 156.9 | 178.9 | -70.1 | -21.9 | 0 | 0 | 0 | 115.1 | ||||
| 5 | G | 41.9 | Very low | 46.3 | Very low | 81 Ų | 81 | 159.1 Ų | 159.1 | 84% | 0.835 | 82% | 0.824 | S | S | * | * | trans | -178.1 | 105 | 157.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 6 | A | 48.4 | Very low | 46.4 | Very low | 109 Ų | 109 | 159.2 Ų | 159.2 | 90% | 0.901 | 82% | 0.819 | S | S | * | * | trans | -70.1 | 146.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 7 | A | 45.3 | Very low | 46.5 | Very low | 98 Ų | 98 | 158.5 Ų | 158.5 | 81% | 0.81 | 81% | 0.811 | S | S | * | * | trans | -150.8 | 126.2 | 152.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 8 | Q | 49.3 | Very low | 46.9 | Very low | 169 Ų | 169 | 154.9 Ų | 154.9 | 79% | 0.79 | 80% | 0.803 | S | S | * | * | trans | -54.3 | 141.1 | 179.2 | -68.6 | 145.9 | -65 | 0 | 0 | 112.6 | ||||
| 9 | V | 55.3 | Low | 47.4 | Very low | 143 Ų | 143 | 152.6 Ų | 152.6 | 87% | 0.867 | 80% | 0.796 | S | S | * | * | trans | -132.1 | 101.2 | 146.6 | -174.8 | 0 | 0 | 0 | 0 | 109.2 | R11 | V9-R11 PolarHBondContact O-N 3.44Š| ||
| 10 | F | 47.8 | Very low | 47.8 | Very low | 152 Ų | 152 | 152.2 Ų | 152.2 | 67% | 0.667 | 80% | 0.795 | S | S | * | * | trans | -42.4 | 124.4 | 160.9 | -104.6 | -114.7 | 0 | 0 | 0 | 111.6 | Q12 | F10-Q12 HydrophobicContact CD1-CB 4.06Š| ||
| 11 | R | 46.4 | Very low | 48.3 | Very low | 244 Ų | 244 | 150.1 Ų | 150.1 | 92% | 0.921 | 79% | 0.789 | S | S | * | * | trans | -127.5 | 82.6 | 145.1 | -104 | -174.1 | 178.2 | -175.8 | 0.6 | 108.4 | V9 L13 | V9-R11 PolarHBondContact O-N 3.44Å; R11-L13 VanDerWaalsContact C-N 3.32Å; R11-L13 PolarHBondContact O-N 2.89Å | ||
| 12 | Q | 46 | Very low | 49.5 | Very low | 140 Ų | 140 | 142.8 Ų | 142.8 | 65% | 0.654 | 76% | 0.761 | S | S | * | * | trans | -60.6 | 95.5 | 164.2 | -165.3 | 179.6 | -18.1 | 0 | 0 | 107.4 | F10 V14 | F10-Q12 HydrophobicContact CD1-CB 4.06Å; Q12-V14 HydrophobicContact CG-CG2 3.66Å; Q12-V14 PolarHBondContact O-N 2.82Å | ||
| 13 | L | 48.5 | Very low | 50.6 | Low | 154 Ų | 154 | 142.3 Ų | 142.3 | 81% | 0.806 | 76% | 0.759 | S | S | * | * | trans | -77.7 | 81.1 | 164.7 | -132.4 | 143.1 | 0 | 0 | 0 | 105.4 | R11 R15 | R11-L13 VanDerWaalsContact C-N 3.32Å; R11-L13 PolarHBondContact O-N 2.89Å; L13-R15 HydrophobicContact CD2-CG 4.37Å; L13-R15 PolarHBondContact O-N 2.97Å | ||
| 14 | V | 56.4 | Low | 51.8 | Low | 86 Ų | 86 | 138 Ų | 138 | 52% | 0.521 | 75% | 0.752 | S | S | . | * | trans | -60 | 93.7 | 162.7 | -179.4 | 0 | 0 | 0 | 0 | 104.9 | Q12 H16 | Q12-V14 HydrophobicContact CG-CG2 3.66Å; Q12-V14 PolarHBondContact O-N 2.82Å; V14-H16 PolarHBondContact O-N 2.98Å | ||
| 15 | R | 49.1 | Very low | 53.2 | Low | 204 Ų | 204 | 136.5 Ų | 136.5 | 77% | 0.77 | 74% | 0.743 | S | S | * | * | trans | -63.8 | 95.2 | 154.8 | -78.4 | -175.4 | 175.8 | 179.1 | -1 | 104.7 | L13 Q17 | L13-R15 HydrophobicContact CD2-CG 4.37Å; L13-R15 PolarHBondContact O-N 2.97Å; R15-Q17 PolarHBondContact O-N 2.82Å | ||
| 16 | H | 47.8 | Very low | 55 | Low | 160 Ų | 160 | 140.2 Ų | 140.2 | 74% | 0.741 | 74% | 0.739 | S | S | * | * | trans | -61 | 85.2 | 152.9 | -113 | -81.1 | 0 | 0 | 0 | 105.4 | V14 S18 | V14-H16 PolarHBondContact O-N 2.98Å; H16-S18 PolarHBondContact O-N 3.12Å; H16-S18 VanDerWaalsContact O-N 3.12Å | ||
| 17 | Q | 48.6 | Very low | 56.7 | Low | 148 Ų | 148 | 146 Ų | 146 | 69% | 0.692 | 74% | 0.737 | S | S | * | * | trans | -72.1 | 93.9 | 150.3 | -80.1 | -174.7 | -0.9 | 0 | 0 | 104.2 | R15 T19 | R15-Q17 PolarHBondContact O-N 2.82Å; Q17-T19 PolarHBondContact O-N 2.82Å | ||
| 18 | S | 52.7 | Low | 58.9 | Low | 94 Ų | 94 | 146.3 Ų | 146.3 | 66% | 0.657 | 73% | 0.733 | S | S | * | * | trans | -57.9 | 91.8 | 154 | -42.7 | 0 | 0 | 0 | 0 | 105.3 | H16 D20 | H16-S18 PolarHBondContact O-N 3.12Å; H16-S18 VanDerWaalsContact O-N 3.12Å; S18-D20 PolarHBondContact O-N 2.81Å | ||
| 19 | T | 56.5 | Low | 61.1 | Low | 110 Ų | 110 | 145.8 Ų | 145.8 | 68% | 0.675 | 73% | 0.734 | S | S | * | * | trans | -66.6 | 82.5 | 153.9 | 36.4 | 0 | 0 | 0 | 0 | 105 | Q17 T21 | Q17-T19 PolarHBondContact O-N 2.82Å; T19-T21 PolarHBondContact O-N 2.83Å; T19-T21 PolarHBondContact O-OG1 2.85Å | ||
| 20 | D | 56.1 | Low | 63 | Low | 145 Ų | 145 | 143.2 Ų | 143.2 | 78% | 0.775 | 72% | 0.716 | S | S | * | * | trans | -69.9 | 64.6 | 162.3 | -135.5 | -11.2 | 0 | 0 | 0 | 106.1 | S18 S22 | S18-D20 PolarHBondContact O-N 2.81Å; D20-S22 PolarHBondContact O-N 2.73Å | ||
| 21 | T | 58.8 | Low | 65.3 | Low | 108 Ų | 108 | 143.7 Ų | 143.7 | 66% | 0.663 | 71% | 0.713 | S | S | * | * | trans | -67.1 | 79.2 | 156.9 | 29.5 | 0 | 0 | 0 | 0 | 105 | T19 L23 | T19-T21 PolarHBondContact O-N 2.83Å; T19-T21 PolarHBondContact O-OG1 2.85Å; T21-L23 PolarHBondContact O-N 2.75Å | ||
| 22 | S | 60.1 | Low | 67.8 | Low | 84 Ų | 84 | 133.2 Ų | 133.2 | 59% | 0.587 | 68% | 0.676 | S | S | * | * | trans | -47.6 | 106.6 | 151.7 | 62.7 | 0 | 0 | 0 | 0 | 104.8 | D20 I24 | D20-S22 PolarHBondContact O-N 2.73Å; S22-I24 PolarHBondContact O-N 2.85Å | ||
| 23 | L | 62.8 | Low | 70.2 | Confident | 146 Ų | 146 | 131.9 Ų | 131.9 | 76% | 0.764 | 67% | 0.67 | S | S | * | * | trans | -64.8 | 89.9 | 171.6 | -67.5 | 169.1 | 0 | 0 | 0 | 103.9 | T21 L25 | T21-L23 PolarHBondContact O-N 2.75Å; L23-L25 PolarHBondContact O-N 3.42Å | ||
| 24 | I | 65.6 | Low | 72.6 | Confident | 149 Ų | 149 | 125.7 Ų | 125.7 | 76% | 0.764 | 64% | 0.637 | S | S | * | * | trans | -64.9 | 86.6 | 162.9 | -60 | 177.6 | 0 | 0 | 0 | 103.5 | S22 E26 | S22-I24 PolarHBondContact O-N 2.85Å; I24-E26 PolarHBondContact O-N 3.27Å | ||
| 25 | L | 74.2 | Confident | 74.5 | Confident | 142 Ų | 142 | 125.5 Ų | 125.5 | 74% | 0.743 | 63% | 0.633 | S | S | * | * | trans | -68.6 | 101 | -177.8 | -143 | 141.9 | 0 | 0 | 0 | 105 | L23 R27 | L23-L25 PolarHBondContact O-N 3.42Å; L25-R27 PolarHBondContact O-N 2.95Å | ||
| 26 | E | 79.7 | Confident | 76.7 | Confident | 160 Ų | 160 | 116.2 Ų | 116.2 | 75% | 0.748 | 60% | 0.601 | S | S | * | * | trans | -55 | 128 | -178.5 | -172.1 | -174 | 162.2 | 0 | 0 | 109.1 | I24 | I24-E26 PolarHBondContact O-N 3.27Š| ||
| 27 | R | 84.7 | Confident | 79 | Confident | 231 Ų | 231 | 115.5 Ų | 115.5 | 87% | 0.872 | 59% | 0.592 | S | S | * | * | trans | -96.6 | 98.8 | 178.7 | -64.6 | -177.1 | 73.2 | 94.3 | -1.4 | 108.9 | L25 | L25-R27 PolarHBondContact O-N 2.95Š| ||
| 28 | S | 91.5 | Very high | 81.3 | Confident | 103 Ų | 103 | 108.6 Ų | 108.6 | 72% | 0.72 | 56% | 0.56 | S | S | * | * | trans | -81.6 | 152.8 | 169.7 | -42 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 29 | I | 94.3 | Very high | 83.4 | Confident | 158 Ų | 158 | 105.1 Ų | 105.1 | 81% | 0.81 | 54% | 0.539 | S | S | * | . | trans | -111.7 | 123 | 179.2 | -60 | 174 | 0 | 0 | 0 | 109.3 | R31 | I29-R31 HydrophobicContact CG2-CB 4.14Š| ||
| 30 | N | 96.2 | Very high | 85.2 | Confident | 90 Ų | 90 | 104.9 Ų | 104.9 | 48% | 0.481 | 53% | 0.53 | S | S | . | . | trans | -120.1 | 105.7 | 166.6 | 177.6 | -6.7 | 0 | 0 | 0 | 107.5 | L113 | N30-L113 PolarHBondContact ND2-O 2.86Å; N30-L113 PolarHBondContact OD1-N 3.13Å | ||
| 31 | R | 96.4 | Very high | 87 | Confident | 161 Ų | 161 | 102 Ų | 102 | 61% | 0.608 | 52% | 0.515 | S | S | * | . | trans | -137.1 | 132.2 | -178.5 | -172.6 | 177.9 | -175.4 | 171.9 | 5.2 | 109.7 | I29 E110 G111 | I29-R31 HydrophobicContact CG2-CB 4.14Å; R31-E110 IonicContact CZ-OE1 3.88Å; R31-E110 IonicContact NH2-OE1 2.92Å; R31-E110 PolarHBondContact NH2-OE1 2.76Å; R31-G111 CarbonylContact C-O 3.49Å; R31-G111 WeakPolarHBondContact CA-O 3.23Å | ||
| 32 | V | 97.7 | Very high | 88.8 | Confident | 24 Ų | 24 | 97.3 Ų | 97.3 | 15% | 0.145 | 49% | 0.486 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 134.1 | 173.9 | 175.2 | 0 | 0 | 0 | 0 | 108 | L34 E110 G111 L113 I131 | V32-L34 HydrophobicContact CG1-CD1 4.03Å; V32-L34 HydrophobicContact CG1-CD2 4.33Å; V32-L34 HydrophobicContact CG1-CG 3.75Å; V32-E110 WeakPolarHBondContact O-CA 3.21Å; V32-G111 PolarHBondContact N-O 2.87Å; V32-G111 PolarHBondContact O-N 3.21Å; V32-L113 HydrophobicContact CG2-CB 4.02Å; V32-L113 HydrophobicContact CG2-CD1 4.46Å; V32-I131 HydrophobicContact CB-CG2 4.37Å; V32-I131 HydrophobicContact CG1-CD1 4.44Å; V32-I131 HydrophobicContact CG1-CG1 4.21Å; V32-I131 HydrophobicContact CG1-CG2 4.15Å |
| 33 | Q | 97.6 | Very high | 90.5 | Very high | 112 Ų | 112 | 96.7 Ų | 96.7 | 52% | 0.523 | 48% | 0.478 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 124.5 | 168.6 | -68.3 | -174.3 | -19.6 | 0 | 0 | 108.4 | V109 E110 | Q33-V109 CarbonylContact C-O 3.55Å; Q33-V109 WeakPolarHBondContact CA-O 3.49Å; Q33-E110 HydrophobicContact CG-CG 4.12Å; Q33-E110 PolarHBondContact NE2-OE1 2.91Å |
| 34 | L | 97.1 | Very high | 92.1 | Very high | 24 Ų | 24 | 92.8 Ų | 92.8 | 13% | 0.126 | 46% | 0.457 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 131.1 | -179.8 | -63.7 | 175.7 | 0 | 0 | 0 | 110.3 | V32 M58 T60 H84 L108 V109 I131 | V32-L34 HydrophobicContact CG1-CD1 4.03Å; V32-L34 HydrophobicContact CG1-CD2 4.33Å; V32-L34 HydrophobicContact CG1-CG 3.75Å; L34-M58 HydrophobicContact CB-CE 3.82Å; L34-M58 HydrophobicContact CB-SD 4.05Å; L34-M58 HydrophobicContact CD1-SD 4.16Å; L34-T60 HydrophobicContact CD2-CG2 4.31Å; L34-H84 HydrophobicContact CD1-CB 3.94Å; L34-L108 CarbonylContact O-C 3.48Å; L34-L108 VanDerWaalsContact O-CA 3.28Å; L34-L108 WeakPolarHBondContact O-CA 3.24Å; L34-V109 PolarHBondContact N-O 2.89Å; L34-V109 PolarHBondContact O-N 3.1Å; L34-I131 HydrophobicContact CD1-CD1 3.46Å; L34-I131 VanDerWaalsContact CD1-CD1 3.46Å |
| 35 | L | 97.1 | Very high | 93.4 | Very high | 82 Ų | 82 | 92.7 Ų | 92.7 | 43% | 0.429 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 118.5 | 168.8 | 176 | 60.6 | 0 | 0 | 0 | 108.2 | R106 L108 L139 | L35-R106 HydrophobicContact CD1-CG 4.29Å; L35-L108 HydrophobicContact CB-CD1 3.98Å; L35-L108 HydrophobicContact CD1-CB 4.34Å; L35-L139 HydrophobicContact CD1-CD1 3.22Å |
| 36 | G | 96.2 | Very high | 94.1 | Very high | 9 Ų | 9 | 93.3 Ų | 93.3 | 9% | 0.093 | 45% | 0.446 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.8 | -169.6 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | A59 R106 V107 | G36-A59 VanDerWaalsContact CA-O 3.24Å; G36-A59 WeakPolarHBondContact CA-O 3.25Å; G36-R106 WeakPolarHBondContact O-CA 3.35Å; G36-V107 PolarHBondContact N-O 2.91Å; G36-V107 VanDerWaalsContact N-O 3.08Å; G36-V107 PolarHBondContact O-N 2.92Å |
| 37 | R | 96.1 | Very high | 94.4 | Very high | 145 Ų | 145 | 89.7 Ų | 89.7 | 55% | 0.547 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 140.1 | 177.8 | -69.8 | -174.1 | 178.6 | -85.5 | 4.2 | 111.1 | M58 A59 G104 S105 | R37-M58 CarbonylContact O-C 3.6Å; R37-M58 WeakPolarHBondContact O-CA 3.31Å; R37-M58 WeakPolarHBondContact O-CB 3.5Å; R37-A59 PolarHBondContact N-O 3.48Å; R37-A59 VanDerWaalsContact N-O 3.1Å; R37-A59 PolarHBondContact O-N 3.33Å; R37-G104 PolarHBondContact NH1-O 2.75Å; R37-G104 VanDerWaalsContact NH1-O 3.09Å; R37-S105 WeakPolarHBondContact CA-O 3.48Å |
| 38 | V | 96.8 | Very high | 94.3 | Very high | 4 Ų | 4 | 87.9 Ų | 87.9 | 2% | 0.024 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 129.8 | 179.3 | 174.2 | 0 | 0 | 0 | 0 | 109.8 | Q40 F56 S57 V101 K102 G104 S105 V107 | V38-Q40 WeakPolarHBondContact CG1-O 3.36Å; V38-F56 HydrophobicContact CG1-CD2 4.2Å; V38-F56 HydrophobicContact CG2-CD2 3.93Å; V38-F56 HydrophobicContact CG2-CE2 3.98Å; V38-S57 CarbonylContact C-O 3.57Å; V38-S57 WeakPolarHBondContact CA-O 3.41Å; V38-V101 HydrophobicContact CB-CG1 4.11Å; V38-V101 HydrophobicContact CG1-CG1 3.79Å; V38-V101 HydrophobicContact CG2-CG1 3.57Å; V38-K102 WeakPolarHBondContact CB-O 3.22Å; V38-K102 WeakPolarHBondContact CG1-O 3.16Å; V38-G104 WeakPolarHBondContact O-CA 3.4Å; V38-G104 PolarHBondContact O-N 3.44Å; V38-S105 WeakPolarHBondContact CG2-O 3.46Å; V38-S105 PolarHBondContact N-O 3.1Å; V38-V107 HydrophobicContact CG2-CG1 4.28Å; V38-V107 HydrophobicContact CG2-CG2 3.78Å |
| 39 | G | 95.3 | Very high | 93.9 | Very high | 21 Ų | 21 | 87.3 Ų | 87.3 | 22% | 0.216 | 45% | 0.447 | C | S | . | . | S | Bend | trans | -84.7 | -31.7 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | S57 K103 | G39-S57 PolarHBondContact N-O 3.26Å; G39-K103 WeakPolarHBondContact O-CE 3.4Å; G39-K103 WeakPolarHBondContact O-CG 3.34Å |
| 40 | Q | 94.6 | Very high | 93.4 | Very high | 104 Ų | 104 | 88.7 Ų | 88.7 | 49% | 0.486 | 44% | 0.442 | S | S | . | . | S | Bend | trans | -144.3 | 154.8 | -176.9 | 68.3 | -170.4 | -45.3 | 0 | 0 | 110 | V38 S57 | V38-Q40 WeakPolarHBondContact CG1-O 3.36Å; Q40-S57 PolarHBondContact NE2-OG 3.02Å |
| 41 | D | 95.1 | Very high | 93 | Very high | 86 Ų | 86 | 90.3 Ų | 90.3 | 46% | 0.46 | 45% | 0.451 | S | S | . | . | trans | -58.3 | 144.7 | 176.7 | -68.7 | -40.4 | 0 | 0 | 0 | 111.4 | V43 K102 K103 | D41-V43 PolarHBondContact O-N 3.45Å; D41-K102 WeakPolarHBondContact OD1-CA 3.39Å; D41-K103 PolarHBondContact OD1-N 3.05Å | ||
| 42 | P | 96.4 | Very high | 92.9 | Very high | 9 Ų | 9 | 83.7 Ų | 83.7 | 6% | 0.058 | 43% | 0.429 | C | S | . | . | trans | -64.3 | 136.5 | 179.5 | 29.5 | -37.3 | 0 | 0 | 0 | 110.8 | T54 F56 Y98 V101 | P42-T54 HydrophobicContact CB-CG2 3.74Å; P42-F56 HydrophobicContact CB-CB 4.24Å; P42-Y98 HydrophobicContact CB-CD2 4.45Å; P42-Y98 HydrophobicContact CG-CD2 4.34Å; P42-Y98 WeakPolarHBondContact O-CE2 3.44Å; P42-V101 WeakPolarHBondContact CD-O 3.46Å; P42-V101 HydrophobicContact CG-CB 4.03Å; P42-V101 HydrophobicContact CG-CG1 4.42Å; P42-V101 VanDerWaalsContact CG-O 3.26Å; P42-V101 WeakPolarHBondContact CG-O 3.35Å | ||
| 43 | V | 96.1 | Very high | 92.8 | Very high | 70 Ų | 70 | 83.3 Ų | 83.3 | 42% | 0.424 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 122.8 | 176.5 | -178.6 | 0 | 0 | 0 | 0 | 108.7 | D41 R45 I55 | D41-V43 PolarHBondContact O-N 3.45Å; V43-R45 HydrophobicContact CG1-CG 4.27Å; V43-I55 PolarHBondContact N-O 3.35Å; V43-I55 PolarHBondContact O-N 3.21Å |
| 44 | M | 95.1 | Very high | 92.7 | Very high | 64 Ų | 64 | 78 Ų | 78 | 32% | 0.315 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 122.9 | 169.7 | -171 | 174.2 | -74.1 | 0 | 0 | 109.2 | P52 V53 Y98 | M44-P52 HydrophobicContact CG-CB 4.33Å; M44-P52 HydrophobicContact SD-CB 4.44Å; M44-V53 WeakPolarHBondContact CA-O 3.49Å; M44-Y98 HydrophobicContact CB-CD2 3.93Å; M44-Y98 HydrophobicContact CB-CE2 4.01Å; M44-Y98 HydrophobicContact CB-CG 4.37Å; M44-Y98 HydrophobicContact CE-CD1 4.07Å; M44-Y98 HydrophobicContact CE-CG 3.96Å |
| 45 | R | 92.4 | Very high | 92.7 | Very high | 147 Ų | 147 | 77.9 Ų | 77.9 | 56% | 0.555 | 40% | 0.401 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111 | 125.3 | 172.6 | -66.6 | -168.8 | 179.5 | -176.3 | -1.6 | 109.1 | V43 P52 V53 I55 | V43-R45 HydrophobicContact CG1-CG 4.27Å; R45-P52 WeakPolarHBondContact O-CA 3.24Å; R45-V53 HydrophobicContact CB-CG1 4.02Å; R45-V53 PolarHBondContact N-O 2.87Å; R45-V53 PolarHBondContact O-N 2.79Å; R45-I55 HydrophobicContact CG-CD1 4.48Å |
| 46 | Q | 89.9 | Confident | 92.7 | Very high | 155 Ų | 155 | 74.1 Ų | 74.1 | 72% | 0.724 | 38% | 0.381 | S | S | * | . | trans | -111.6 | 124 | 170.1 | -171.3 | 171.7 | -17.8 | 0 | 0 | 107.8 | P52 | Q46-P52 HydrophobicContact CB-CB 4.2Å; Q46-P52 HydrophobicContact CG-CB 4.29Å | ||
| 47 | V | 85.1 | Confident | 92.7 | Very high | 85 Ų | 85 | 74.7 Ų | 74.7 | 52% | 0.515 | 38% | 0.383 | S | S | . | . | trans | -107 | 136.9 | 173.7 | 179.9 | 0 | 0 | 0 | 0 | 106.7 | G49 R50 | V47-G49 PolarHBondContact O-N 2.73Å; V47-R50 HydrophobicContact CB-CB 4.26Å; V47-R50 PolarHBondContact O-N 2.92Å | ||
| 48 | E | 83.4 | Confident | 92.8 | Very high | 192 Ų | 192 | 67.8 Ų | 67.8 | 90% | 0.897 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.8 | 130 | 178.9 | -66.2 | -178.8 | 174.5 | 0 | 0 | 111 | R50 | E48-R50 PolarHBondContact O-N 3.12Š|
| 49 | G | 82.6 | Confident | 92.8 | Very high | 92 Ų | 92 | 68.1 Ų | 68.1 | 95% | 0.948 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.4 | 4 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | V47 | V47-G49 PolarHBondContact O-N 2.73Š|
| 50 | R | 83.7 | Confident | 92.8 | Very high | 186 Ų | 186 | 68.3 Ų | 68.3 | 70% | 0.702 | 36% | 0.358 | S | S | * | . | S | Bend | trans | -120.9 | 151.5 | 175.4 | -63 | -172 | -178.5 | -165.9 | 0.6 | 112.1 | V47 E48 | V47-R50 HydrophobicContact CB-CB 4.26Å; V47-R50 PolarHBondContact O-N 2.92Å; E48-R50 PolarHBondContact O-N 3.12Å |
| 51 | N | 88.7 | Confident | 92.8 | Very high | 125 Ų | 125 | 67.5 Ų | 67.5 | 67% | 0.668 | 36% | 0.357 | S | S | * | . | trans | -59.3 | 135.8 | 172.5 | -73 | -31 | 0 | 0 | 0 | 110.2 | ||||
| 52 | P | 93.8 | Very high | 92.7 | Very high | 22 Ų | 22 | 68.7 Ų | 68.7 | 14% | 0.143 | 36% | 0.359 | C | S | . | . | trans | -62.3 | 150.3 | 177 | 14 | -18.9 | 0 | 0 | 0 | 111.3 | M44 R45 Q46 R94 | M44-P52 HydrophobicContact CG-CB 4.33Å; M44-P52 HydrophobicContact SD-CB 4.44Å; R45-P52 WeakPolarHBondContact O-CA 3.24Å; Q46-P52 HydrophobicContact CB-CB 4.2Å; Q46-P52 HydrophobicContact CG-CB 4.29Å; P52-R94 VanDerWaalsContact CD-NH1 3.29Å; P52-R94 VanDerWaalsContact CG-CZ 3.46Å; P52-R94 WeakPolarHBondContact O-CD 3.08Å; P52-R94 PolarHBondContact O-NH1 2.81Å | ||
| 53 | V | 94.9 | Very high | 92.3 | Very high | 16 Ų | 16 | 74.5 Ų | 74.5 | 10% | 0.097 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 132.3 | -178.4 | 60.9 | 0 | 0 | 0 | 0 | 109.7 | M44 R45 I55 I88 F89 | M44-V53 WeakPolarHBondContact CA-O 3.49Å; R45-V53 HydrophobicContact CB-CG1 4.02Å; R45-V53 PolarHBondContact N-O 2.87Å; R45-V53 PolarHBondContact O-N 2.79Å; V53-I55 HydrophobicContact CG1-CD1 3.98Å; V53-I55 HydrophobicContact CG1-CG1 4.16Å; V53-I55 HydrophobicContact CG2-CD1 4.39Å; V53-I55 HydrophobicContact CG2-CG1 3.91Å; V53-I88 WeakPolarHBondContact CA-O 3.4Å; V53-I88 WeakPolarHBondContact CG2-O 3.43Å; V53-F89 HydrophobicContact CB-CD1 3.91Å; V53-F89 HydrophobicContact CB-CE1 3.76Å; V53-F89 HydrophobicContact CB-CZ 4.47Å; V53-F89 HydrophobicContact CG1-CE1 4.45Å; V53-F89 HydrophobicContact CG2-CD1 3.78Å; V53-F89 HydrophobicContact CG2-CD2 4.45Å; V53-F89 HydrophobicContact CG2-CE1 3.54Å; V53-F89 HydrophobicContact CG2-CE2 4.24Å; V53-F89 HydrophobicContact CG2-CG 4.25Å; V53-F89 HydrophobicContact CG2-CZ 3.8Å |
| 54 | T | 96.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 76.8 Ų | 76.8 | 0% | 0 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 127.7 | 172 | -62.4 | 0 | 0 | 0 | 0 | 108.8 | P42 I88 R94 A97 | P42-T54 HydrophobicContact CB-CG2 3.74Å; T54-I88 HydrophobicContact CG2-CD1 4.26Å; T54-I88 PolarHBondContact N-O 2.73Å; T54-I88 VanDerWaalsContact N-O 3.13Å; T54-I88 PolarHBondContact O-N 3.19Å; T54-R94 WeakPolarHBondContact CB-O 3.5Å; T54-R94 WeakPolarHBondContact OG1-CB 3.36Å; T54-R94 PolarHBondContact OG1-O 3.11Å; T54-A97 HydrophobicContact CG2-CB 4.39Å |
| 55 | I | 96.3 | Very high | 91.1 | Very high | 22 Ų | 22 | 83.5 Ų | 83.5 | 11% | 0.113 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 133.9 | -174.1 | -51.4 | 179.1 | 0 | 0 | 0 | 109.2 | V43 R45 V53 R85 V86 | V43-I55 PolarHBondContact N-O 3.35Å; V43-I55 PolarHBondContact O-N 3.21Å; R45-I55 HydrophobicContact CG-CD1 4.48Å; V53-I55 HydrophobicContact CG1-CD1 3.98Å; V53-I55 HydrophobicContact CG1-CG1 4.16Å; V53-I55 HydrophobicContact CG2-CD1 4.39Å; V53-I55 HydrophobicContact CG2-CG1 3.91Å; I55-R85 HydrophobicContact CG2-CG 4.27Å; I55-V86 WeakPolarHBondContact CA-O 3.47Å; I55-V86 WeakPolarHBondContact CG2-O 3.11Å |
| 56 | F | 96.9 | Very high | 89.8 | Confident | 2 Ų | 2 | 79 Ų | 79 | 1% | 0.009 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 166.2 | 171.4 | 64.8 | -87.1 | 0 | 0 | 0 | 110.6 | V38 P42 M58 V86 I88 V107 V109 I136 | V38-F56 HydrophobicContact CG1-CD2 4.2Å; V38-F56 HydrophobicContact CG2-CD2 3.93Å; V38-F56 HydrophobicContact CG2-CE2 3.98Å; P42-F56 HydrophobicContact CB-CB 4.24Å; F56-M58 HydrophobicContact CE2-CB 4.28Å; F56-M58 HydrophobicContact CE2-SD 4.44Å; F56-V86 HydrophobicContact CD1-CB 4.31Å; F56-V86 HydrophobicContact CD1-CG1 4.49Å; F56-V86 HydrophobicContact CD2-CB 4.34Å; F56-V86 HydrophobicContact CE1-CB 3.87Å; F56-V86 HydrophobicContact CE1-CG1 3.69Å; F56-V86 HydrophobicContact CE2-CB 3.93Å; F56-V86 HydrophobicContact CE2-CG1 4.37Å; F56-V86 HydrophobicContact CE2-CG2 3.97Å; F56-V86 HydrophobicContact CZ-CB 3.69Å; F56-V86 HydrophobicContact CZ-CG1 3.63Å; F56-V86 HydrophobicContact CZ-CG2 4.04Å; F56-V86 PolarHBondContact N-O 3.09Å; F56-V86 VanDerWaalsContact N-O 3.11Å; F56-V86 PolarHBondContact O-N 3.34Å; F56-I88 HydrophobicContact CD1-CD1 4.41Å; F56-I88 HydrophobicContact CE1-CD1 3.87Å; F56-I88 HydrophobicContact CE1-CG1 4.4Å; F56-V107 HydrophobicContact CE2-CG2 4.36Å; F56-V109 HydrophobicContact CE2-CG2 4.47Å; F56-V109 HydrophobicContact CZ-CG2 4.01Å; F56-I136 HydrophobicContact CE1-CD1 4.1Å; F56-I136 HydrophobicContact CZ-CD1 4.22Å |
| 57 | S | 97 | Very high | 88.6 | Confident | 21 Ų | 21 | 74.1 Ų | 74.1 | 15% | 0.147 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 146 | 170.1 | 60.1 | 0 | 0 | 0 | 0 | 111 | V38 G39 Q40 H84 | V38-S57 CarbonylContact C-O 3.57Å; V38-S57 WeakPolarHBondContact CA-O 3.41Å; G39-S57 PolarHBondContact N-O 3.26Å; Q40-S57 PolarHBondContact NE2-OG 3.02Å; S57-H84 CarbonylContact C-O 3.55Å; S57-H84 VanDerWaalsContact CA-O 3.23Å; S57-H84 WeakPolarHBondContact CA-O 3.4Å |
| 58 | M | 96.8 | Very high | 87.2 | Confident | 0 Ų | 0 | 76.5 Ų | 76.5 | 0% | 0 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 149.4 | 172.9 | 67.2 | -177.6 | -64.4 | 0 | 0 | 111.6 | L34 R37 F56 H84 V86 V107 V109 | L34-M58 HydrophobicContact CB-CE 3.82Å; L34-M58 HydrophobicContact CB-SD 4.05Å; L34-M58 HydrophobicContact CD1-SD 4.16Å; R37-M58 CarbonylContact O-C 3.6Å; R37-M58 WeakPolarHBondContact O-CA 3.31Å; R37-M58 WeakPolarHBondContact O-CB 3.5Å; F56-M58 HydrophobicContact CE2-CB 4.28Å; F56-M58 HydrophobicContact CE2-SD 4.44Å; M58-H84 HydrophobicContact CG-CB 3.89Å; M58-H84 PolarHBondContact N-O 3.49Å; M58-H84 PolarHBondContact O-N 3.24Å; M58-H84 PolarHBondContact O-ND1 3.47Å; M58-V86 HydrophobicContact CG-CG2 4.12Å; M58-V86 HydrophobicContact SD-CG2 3.88Å; M58-V107 HydrophobicContact CE-CG2 4.17Å; M58-V109 HydrophobicContact CE-CG2 4.34Å; M58-V109 HydrophobicContact SD-CB 4.17Å; M58-V109 HydrophobicContact SD-CG2 3.66Å |
| 59 | A | 97.5 | Very high | 86 | Confident | 12 Ų | 12 | 74.2 Ų | 74.2 | 10% | 0.099 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 137.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | G36 R37 T81 T82 W83 | G36-A59 VanDerWaalsContact CA-O 3.24Å; G36-A59 WeakPolarHBondContact CA-O 3.25Å; R37-A59 PolarHBondContact N-O 3.48Å; R37-A59 VanDerWaalsContact N-O 3.1Å; R37-A59 PolarHBondContact O-N 3.33Å; A59-T81 HydrophobicContact CB-CG2 3.79Å; A59-T82 WeakPolarHBondContact CA-O 3.34Å; A59-W83 HydrophobicContact CB-CD2 4.25Å; A59-W83 HydrophobicContact CB-CE3 3.92Å; A59-W83 HydrophobicContact CB-CH2 3.99Å; A59-W83 HydrophobicContact CB-CZ2 4.31Å; A59-W83 HydrophobicContact CB-CZ3 3.75Å |
| 60 | T | 96.6 | Very high | 84.8 | Confident | 25 Ų | 25 | 78.9 Ų | 78.9 | 15% | 0.153 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 142 | 160.5 | 65.9 | 0 | 0 | 0 | 0 | 108.7 | L34 T81 T82 H84 | L34-T60 HydrophobicContact CD2-CG2 4.31Å; T60-T81 WeakPolarHBondContact O-CA 3.31Å; T60-T82 PolarHBondContact N-O 2.94Å; T60-T82 PolarHBondContact O-N 2.9Å; T60-H84 PolarHBondContact OG1-CE1 2.85Å |
| 61 | N | 94.6 | Very high | 83.6 | Confident | 87 Ų | 87 | 75.5 Ų | 75.5 | 47% | 0.465 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 135.3 | -176.5 | -61.2 | -8.9 | 0 | 0 | 0 | 109.5 | Q79 K80 T81 | N61-Q79 PolarHBondContact ND2-NE2 2.86Å; N61-K80 CarbonylContact C-O 3.57Å; N61-K80 WeakPolarHBondContact CA-O 3.21Å; N61-T81 VanDerWaalsContact OD1-CG2 3.32Å; N61-T81 WeakPolarHBondContact OD1-CG2 3.36Å; N61-T81 PolarHBondContact OD1-OG1 2.97Å |
| 62 | E | 91.5 | Very high | 81.9 | Confident | 110 Ų | 110 | 72.9 Ų | 72.9 | 51% | 0.514 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 130.8 | 171.4 | -69.2 | 171.5 | -175.5 | 0 | 0 | 108 | W64 Q79 K80 | E62-W64 HydrophobicContact CB-CZ3 4.49Å; E62-Q79 CarbonylContact O-C 3.59Å; E62-Q79 WeakPolarHBondContact O-CA 3.49Å; E62-K80 PolarHBondContact N-O 2.81Å; E62-K80 PolarHBondContact O-N 3.25Å |
| 63 | M | 88.2 | Confident | 80.2 | Confident | 131 Ų | 131 | 78.9 Ų | 78.9 | 65% | 0.645 | 43% | 0.429 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 132 | 177.5 | -65.8 | 174.2 | -179.8 | 0 | 0 | 108.9 | V77 S78 Q79 | M63-V77 HydrophobicContact CB-CG1 4.42Å; M63-S78 WeakPolarHBondContact CA-O 3.49Å; M63-Q79 HydrophobicContact CE-CG 4.48Å; M63-Q79 HydrophobicContact CG-CB 4.37Å; M63-Q79 HydrophobicContact CG-CG 4.17Å |
| 64 | W | 85.9 | Confident | 78.5 | Confident | 118 Ų | 118 | 82 Ų | 82 | 45% | 0.447 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 149.5 | 173.9 | 64 | 95.2 | 0 | 0 | 0 | 109.9 | E62 S66 S78 K80 | E62-W64 HydrophobicContact CB-CZ3 4.49Å; W64-S66 VanDerWaalsContact CD1-OG 3.24Å; W64-S66 PolarHBondContact NE1-OG 2.91Å; W64-S66 VanDerWaalsContact NE1-OG 3.13Å; W64-S78 PolarHBondContact N-O 2.87Å; W64-S78 PolarHBondContact O-N 3.49Å; W64-K80 HydrophobicContact CH2-CB 3.59Å; W64-K80 HydrophobicContact CZ3-CB 3.42Å; W64-K80 VanDerWaalsContact CZ3-CB 3.42Å |
| 65 | R | 79.9 | Confident | 76.8 | Confident | 206 Ų | 206 | 83.6 Ų | 83.6 | 78% | 0.777 | 47% | 0.473 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 124.8 | 172.8 | -68.3 | -173.4 | 177.1 | 95.4 | -0.6 | 107.9 | V77 | R65-V77 HydrophobicContact CG-CG2 4.22Å |
| 66 | S | 66 | Low | 75.7 | Confident | 52 Ų | 52 | 88.6 Ų | 88.6 | 36% | 0.364 | 50% | 0.5 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 108.1 | 174.5 | -57.7 | 0 | 0 | 0 | 0 | 107.6 | W64 D76 S78 | W64-S66 VanDerWaalsContact CD1-OG 3.24Å; W64-S66 PolarHBondContact NE1-OG 2.91Å; W64-S66 VanDerWaalsContact NE1-OG 3.13Å; S66-D76 PolarHBondContact N-O 2.79Å; S66-S78 PolarHBondContact OG-OG 3.01Å |
| 67 | G | 64.3 | Low | 74.9 | Confident | 53 Ų | 53 | 92.9 Ų | 92.9 | 55% | 0.546 | 53% | 0.526 | S | S | . | . | S | Bend | trans | 159.3 | 141.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112 | V69 | G67-V69 PolarHBondContact O-N 2.86Š|
| 68 | D | 56.8 | Low | 74.4 | Confident | 134 Ų | 134 | 93.7 Ų | 93.7 | 72% | 0.717 | 53% | 0.532 | S | S | * | . | trans | -61.2 | 123.6 | 167 | -88.6 | -38 | 0 | 0 | 0 | 108.7 | E70 T71 | D68-E70 PolarHBondContact O-N 2.87Å; D68-T71 PolarHBondContact O-N 3.13Å | ||
| 69 | V | 56.9 | Low | 74 | Confident | 144 Ų | 144 | 98.7 Ų | 98.7 | 87% | 0.873 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.5 | -18 | -178.1 | 178.5 | 0 | 0 | 0 | 0 | 111.7 | G67 | G67-V69 PolarHBondContact O-N 2.86Š|
| 70 | E | 58.6 | Low | 73.8 | Confident | 191 Ų | 191 | 103.5 Ų | 103.5 | 89% | 0.893 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.7 | -23.7 | -173.6 | -60.4 | -165.5 | 164.4 | 0 | 0 | 114.8 | D68 | D68-E70 PolarHBondContact O-N 2.87Š|
| 71 | T | 57.7 | Low | 73.7 | Confident | 115 Ų | 115 | 105 Ų | 105 | 71% | 0.706 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.3 | -14.8 | -167.2 | -35.2 | 0 | 0 | 0 | 0 | 114.7 | D68 | D68-T71 PolarHBondContact O-N 3.13Š|
| 72 | S | 54 | Low | 73.8 | Confident | 69 Ų | 69 | 103.2 Ų | 103.2 | 48% | 0.483 | 58% | 0.575 | S | S | . | * | trans | -133.4 | 107.8 | -176.1 | -67.4 | 0 | 0 | 0 | 0 | 112 | A74 | S72-A74 PolarHBondContact O-N 2.85Š| ||
| 73 | P | 57.6 | Low | 74.1 | Confident | 148 Ų | 148 | 105.6 Ų | 105.6 | 96% | 0.961 | 58% | 0.58 | S | S | * | * | S | Bend | trans | -67.9 | -13.9 | 178 | 25.1 | -31.8 | 0 | 0 | 0 | 113.6 | ||
| 74 | A | 58.5 | Low | 74.5 | Confident | 81 Ų | 81 | 101.1 Ų | 101.1 | 67% | 0.669 | 56% | 0.557 | S | S | * | * | S | Bend | trans | -115.5 | 81.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | S72 D76 | S72-A74 PolarHBondContact O-N 2.85Å; A74-D76 PolarHBondContact O-N 2.89Å |
| 75 | G | 61.8 | Low | 75 | Confident | 34 Ų | 34 | 100.4 Ų | 100.4 | 35% | 0.351 | 55% | 0.554 | S | S | . | * | trans | -66.4 | 127.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | V77 | G75-V77 PolarHBondContact O-N 2.95Å; G75-V77 VanDerWaalsContact O-N 3.15Å | ||
| 76 | D | 73.1 | Confident | 75.8 | Confident | 128 Ų | 128 | 90.6 Ų | 90.6 | 68% | 0.684 | 52% | 0.517 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 114.1 | 176.8 | -77.9 | -29.9 | 0 | 0 | 0 | 109.8 | S66 A74 S78 | S66-D76 PolarHBondContact N-O 2.79Å; A74-D76 PolarHBondContact O-N 2.89Å; D76-S78 PolarHBondContact O-N 2.97Å |
| 77 | V | 79.9 | Confident | 77.2 | Confident | 91 Ų | 91 | 88.3 Ų | 88.3 | 55% | 0.552 | 50% | 0.501 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 112 | 175 | -175.6 | 0 | 0 | 0 | 0 | 108.2 | M63 R65 G75 | M63-V77 HydrophobicContact CB-CG1 4.42Å; R65-V77 HydrophobicContact CG-CG2 4.22Å; G75-V77 PolarHBondContact O-N 2.95Å; G75-V77 VanDerWaalsContact O-N 3.15Å |
| 78 | S | 85.6 | Confident | 78.8 | Confident | 38 Ų | 38 | 85.8 Ų | 85.8 | 27% | 0.266 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 144.4 | 174.6 | -63.2 | 0 | 0 | 0 | 0 | 110.7 | M63 W64 S66 D76 | M63-S78 WeakPolarHBondContact CA-O 3.49Å; W64-S78 PolarHBondContact N-O 2.87Å; W64-S78 PolarHBondContact O-N 3.49Å; S66-S78 PolarHBondContact OG-OG 3.01Å; D76-S78 PolarHBondContact O-N 2.97Å |
| 79 | Q | 90 | Very high | 80.6 | Confident | 105 Ų | 105 | 84.1 Ų | 84.1 | 49% | 0.491 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 130.7 | 179.1 | -177.8 | -177.3 | -23.4 | 0 | 0 | 111.2 | N61 E62 M63 | N61-Q79 PolarHBondContact ND2-NE2 2.86Å; E62-Q79 CarbonylContact O-C 3.59Å; E62-Q79 WeakPolarHBondContact O-CA 3.49Å; M63-Q79 HydrophobicContact CE-CG 4.48Å; M63-Q79 HydrophobicContact CG-CB 4.37Å; M63-Q79 HydrophobicContact CG-CG 4.17Å |
| 80 | K | 92.6 | Very high | 82.4 | Confident | 113 Ų | 113 | 83.2 Ų | 83.2 | 49% | 0.491 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 135.7 | 168.9 | -172.4 | 173.4 | 179.2 | -175.8 | 0 | 109.9 | N61 E62 W64 | N61-K80 CarbonylContact C-O 3.57Å; N61-K80 WeakPolarHBondContact CA-O 3.21Å; E62-K80 PolarHBondContact N-O 2.81Å; E62-K80 PolarHBondContact O-N 3.25Å; W64-K80 HydrophobicContact CH2-CB 3.59Å; W64-K80 HydrophobicContact CZ3-CB 3.42Å; W64-K80 VanDerWaalsContact CZ3-CB 3.42Å |
| 81 | T | 94.9 | Very high | 84 | Confident | 57 Ų | 57 | 77.3 Ų | 77.3 | 35% | 0.35 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 124.8 | 174.7 | -57.7 | 0 | 0 | 0 | 0 | 109.2 | A59 T60 N61 | A59-T81 HydrophobicContact CB-CG2 3.79Å; T60-T81 WeakPolarHBondContact O-CA 3.31Å; N61-T81 VanDerWaalsContact OD1-CG2 3.32Å; N61-T81 WeakPolarHBondContact OD1-CG2 3.36Å; N61-T81 PolarHBondContact OD1-OG1 2.97Å |
| 82 | T | 96.8 | Very high | 85.7 | Confident | 50 Ų | 50 | 74.2 Ų | 74.2 | 31% | 0.307 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 126.7 | 176.9 | -57.1 | 0 | 0 | 0 | 0 | 109.7 | A59 T60 H84 | A59-T82 WeakPolarHBondContact CA-O 3.34Å; T60-T82 PolarHBondContact N-O 2.94Å; T60-T82 PolarHBondContact O-N 2.9Å; T82-H84 VanDerWaalsContact CG2-CE1 3.45Å; T82-H84 WeakPolarHBondContact CG2-CE1 3.44Å; T82-H84 PolarHBondContact O-CE1 2.92Å; T82-H84 VanDerWaalsContact O-CE1 3.24Å; T82-H84 PolarHBondContact O-ND1 3.31Å; T82-H84 VanDerWaalsContact O-ND1 3.09Å |
| 83 | W | 96.6 | Very high | 87.6 | Confident | 160 Ų | 160 | 72 Ų | 72 | 61% | 0.606 | 40% | 0.398 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 129.2 | -179.8 | -69.8 | 97.2 | 0 | 0 | 0 | 111.1 | A59 | A59-W83 HydrophobicContact CB-CD2 4.25Å; A59-W83 HydrophobicContact CB-CE3 3.92Å; A59-W83 HydrophobicContact CB-CH2 3.99Å; A59-W83 HydrophobicContact CB-CZ2 4.31Å; A59-W83 HydrophobicContact CB-CZ3 3.75Å |
| 84 | H | 96.9 | Very high | 89.4 | Confident | 37 Ų | 37 | 66.2 Ų | 66.2 | 17% | 0.171 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 135 | -176.6 | -56 | 78.1 | 0 | 0 | 0 | 109.1 | L34 S57 M58 T60 T82 I131 | L34-H84 HydrophobicContact CD1-CB 3.94Å; S57-H84 CarbonylContact C-O 3.55Å; S57-H84 VanDerWaalsContact CA-O 3.23Å; S57-H84 WeakPolarHBondContact CA-O 3.4Å; M58-H84 HydrophobicContact CG-CB 3.89Å; M58-H84 PolarHBondContact N-O 3.49Å; M58-H84 PolarHBondContact O-N 3.24Å; M58-H84 PolarHBondContact O-ND1 3.47Å; T60-H84 PolarHBondContact OG1-CE1 2.85Å; T82-H84 VanDerWaalsContact CG2-CE1 3.45Å; T82-H84 WeakPolarHBondContact CG2-CE1 3.44Å; T82-H84 PolarHBondContact O-CE1 2.92Å; T82-H84 VanDerWaalsContact O-CE1 3.24Å; T82-H84 PolarHBondContact O-ND1 3.31Å; T82-H84 VanDerWaalsContact O-ND1 3.09Å; H84-I131 HydrophobicContact CB-CD1 3.77Å |
| 85 | R | 96.3 | Very high | 91.1 | Very high | 102 Ų | 102 | 65.4 Ų | 65.4 | 39% | 0.385 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 121 | 172.8 | -174.6 | 176.2 | -176 | -103.7 | 2.7 | 109.2 | I55 T130 I131 | I55-R85 HydrophobicContact CG2-CG 4.27Å; R85-T130 HydrophobicContact CG-CG2 4.43Å; R85-T130 PolarHBondContact NH1-OG1 2.81Å; R85-I131 PolarHBondContact O-N 2.87Å |
| 86 | V | 97.2 | Very high | 92.7 | Very high | 0 Ų | 0 | 66.4 Ų | 66.4 | 0% | 0 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 133.6 | 179.2 | -177 | 0 | 0 | 0 | 0 | 109.3 | I55 F56 M58 I88 V109 I131 A133 | I55-V86 WeakPolarHBondContact CA-O 3.47Å; I55-V86 WeakPolarHBondContact CG2-O 3.11Å; F56-V86 HydrophobicContact CD1-CB 4.31Å; F56-V86 HydrophobicContact CD1-CG1 4.49Å; F56-V86 HydrophobicContact CD2-CB 4.34Å; F56-V86 HydrophobicContact CE1-CB 3.87Å; F56-V86 HydrophobicContact CE1-CG1 3.69Å; F56-V86 HydrophobicContact CE2-CB 3.93Å; F56-V86 HydrophobicContact CE2-CG1 4.37Å; F56-V86 HydrophobicContact CE2-CG2 3.97Å; F56-V86 HydrophobicContact CZ-CB 3.69Å; F56-V86 HydrophobicContact CZ-CG1 3.63Å; F56-V86 HydrophobicContact CZ-CG2 4.04Å; F56-V86 PolarHBondContact N-O 3.09Å; F56-V86 VanDerWaalsContact N-O 3.11Å; F56-V86 PolarHBondContact O-N 3.34Å; M58-V86 HydrophobicContact CG-CG2 4.12Å; M58-V86 HydrophobicContact SD-CG2 3.88Å; V86-I88 HydrophobicContact CG1-CG1 4.49Å; V86-V109 HydrophobicContact CG1-CG1 3.94Å; V86-V109 HydrophobicContact CG2-CG1 4.36Å; V86-I131 CarbonylContact C-O 3.55Å; V86-I131 WeakPolarHBondContact CA-O 3.42Å; V86-A133 HydrophobicContact CG1-CB 3.76Å |
| 87 | S | 96.4 | Very high | 93.7 | Very high | 4 Ų | 4 | 60.3 Ų | 60.3 | 3% | 0.028 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 131.8 | 174.7 | -65.3 | 0 | 0 | 0 | 0 | 110.3 | T130 I131 I132 A133 | S87-T130 VanDerWaalsContact OG-CG2 3.22Å; S87-T130 WeakPolarHBondContact OG-CG2 3.4Å; S87-I131 PolarHBondContact N-O 3.41Å; S87-I132 WeakPolarHBondContact O-CA 3.32Å; S87-A133 PolarHBondContact O-N 3.21Å |
| 88 | I | 96.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 115.4 | -177.5 | -48.9 | 156.3 | 0 | 0 | 0 | 108.9 | V53 T54 F56 V86 L93 R94 A97 A133 I136 | V53-I88 WeakPolarHBondContact CA-O 3.4Å; V53-I88 WeakPolarHBondContact CG2-O 3.43Å; T54-I88 HydrophobicContact CG2-CD1 4.26Å; T54-I88 PolarHBondContact N-O 2.73Å; T54-I88 VanDerWaalsContact N-O 3.13Å; T54-I88 PolarHBondContact O-N 3.19Å; F56-I88 HydrophobicContact CD1-CD1 4.41Å; F56-I88 HydrophobicContact CE1-CD1 3.87Å; F56-I88 HydrophobicContact CE1-CG1 4.4Å; V86-I88 HydrophobicContact CG1-CG1 4.49Å; I88-L93 HydrophobicContact CG2-CB 3.87Å; I88-L93 HydrophobicContact CG2-CD2 3.9Å; I88-L93 HydrophobicContact CG2-CG 3.82Å; I88-R94 HydrophobicContact CB-CB 3.98Å; I88-R94 HydrophobicContact CG2-CB 3.77Å; I88-R94 WeakPolarHBondContact O-CB 3.16Å; I88-A97 HydrophobicContact CD1-CB 3.18Å; I88-A133 HydrophobicContact CG1-CB 3.97Å; I88-I136 HydrophobicContact CD1-CD1 3.5Å; I88-I136 VanDerWaalsContact CD1-CD1 3.5Å; I88-I136 HydrophobicContact CG1-CD1 3.92Å |
| 89 | F | 95 | Very high | 94.7 | Very high | 99 Ų | 99 | 65 Ų | 65 | 43% | 0.434 | 32% | 0.316 | S | S | . | . | trans | -99.4 | -24 | 177.3 | -64.5 | -82.1 | 0 | 0 | 0 | 113 | V53 P91 I132 | V53-F89 HydrophobicContact CB-CD1 3.91Å; V53-F89 HydrophobicContact CB-CE1 3.76Å; V53-F89 HydrophobicContact CB-CZ 4.47Å; V53-F89 HydrophobicContact CG1-CE1 4.45Å; V53-F89 HydrophobicContact CG2-CD1 3.78Å; V53-F89 HydrophobicContact CG2-CD2 4.45Å; V53-F89 HydrophobicContact CG2-CE1 3.54Å; V53-F89 HydrophobicContact CG2-CE2 4.24Å; V53-F89 HydrophobicContact CG2-CG 4.25Å; V53-F89 HydrophobicContact CG2-CZ 3.8Å; F89-P91 WeakPolarHBondContact O-CD 3.5Å; F89-I132 HydrophobicContact CD2-CG2 4Å; F89-I132 HydrophobicContact CE2-CD1 4.3Å; F89-I132 HydrophobicContact CE2-CG1 4.14Å; F89-I132 HydrophobicContact CE2-CG2 4.46Å | ||
| 90 | K | 94.4 | Very high | 94.8 | Very high | 125 Ų | 125 | 66.8 Ų | 66.8 | 54% | 0.543 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -62 | 118.3 | -178 | -176.6 | 173.2 | -178.2 | 176.8 | 0 | 110 | G92 L93 R94 | K90-G92 PolarHBondContact O-N 2.91Å; K90-L93 HydrophobicContact CB-CB 4.04Å; K90-L93 HydrophobicContact CD-CB 4.18Å; K90-L93 HydrophobicContact CG-CB 4.16Å; K90-L93 PolarHBondContact O-N 3.48Å; K90-L93 VanDerWaalsContact O-N 3.1Å; K90-R94 PolarHBondContact O-N 2.79Å |
| 91 | P | 91.4 | Very high | 94.8 | Very high | 68 Ų | 68 | 61.4 Ų | 61.4 | 44% | 0.442 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -54.3 | -48.9 | -169.2 | -30.4 | 35.9 | 0 | 0 | 0 | 115.2 | F89 L93 R94 D95 | F89-P91 WeakPolarHBondContact O-CD 3.5Å; P91-L93 PolarHBondContact O-N 3.08Å; P91-R94 VanDerWaalsContact O-CG 3.31Å; P91-R94 WeakPolarHBondContact O-CG 3.39Å; P91-D95 PolarHBondContact O-N 2.97Å; P91-D95 VanDerWaalsContact O-OD2 3.09Å |
| 92 | G | 93.2 | Very high | 94.8 | Very high | 49 Ų | 49 | 63.5 Ų | 63.5 | 51% | 0.505 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -66.9 | -39.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | K90 V96 | K90-G92 PolarHBondContact O-N 2.91Å; G92-V96 VanDerWaalsContact O-CG2 3.25Å; G92-V96 WeakPolarHBondContact O-CG2 3.11Å; G92-V96 PolarHBondContact O-N 2.79Å |
| 93 | L | 95.1 | Very high | 94.7 | Very high | 23 Ų | 23 | 68 Ų | 68 | 12% | 0.12 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -73.3 | -37.1 | -176.4 | -171.6 | 63.6 | 0 | 0 | 0 | 111.9 | I88 K90 P91 D95 A97 D134 I136 | I88-L93 HydrophobicContact CG2-CB 3.87Å; I88-L93 HydrophobicContact CG2-CD2 3.9Å; I88-L93 HydrophobicContact CG2-CG 3.82Å; K90-L93 HydrophobicContact CB-CB 4.04Å; K90-L93 HydrophobicContact CD-CB 4.18Å; K90-L93 HydrophobicContact CG-CB 4.16Å; K90-L93 PolarHBondContact O-N 3.48Å; K90-L93 VanDerWaalsContact O-N 3.1Å; P91-L93 PolarHBondContact O-N 3.08Å; L93-D95 VanDerWaalsContact C-N 3.33Å; L93-D95 PolarHBondContact O-N 3.01Å; L93-A97 WeakPolarHBondContact O-CB 3.26Å; L93-A97 PolarHBondContact O-N 2.89Å; L93-D134 WeakPolarHBondContact CD2-O 3.44Å; L93-I136 HydrophobicContact CD1-CB 4.13Å; L93-I136 HydrophobicContact CD1-CG1 4.36Å; L93-I136 HydrophobicContact CD2-CD1 4.5Å; L93-I136 HydrophobicContact CD2-CG1 4.24Å; L93-I136 HydrophobicContact CG-CD1 4.45Å; L93-I136 HydrophobicContact CG-CG1 4.49Å |
| 94 | R | 95.4 | Very high | 94.5 | Very high | 26 Ų | 26 | 62 Ų | 62 | 10% | 0.098 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -67.3 | -35.9 | -178.9 | 78.7 | -178.3 | 172.7 | -149.1 | -9.5 | 111.6 | P52 T54 I88 K90 P91 Y98 | P52-R94 VanDerWaalsContact CD-NH1 3.29Å; P52-R94 VanDerWaalsContact CG-CZ 3.46Å; P52-R94 WeakPolarHBondContact O-CD 3.08Å; P52-R94 PolarHBondContact O-NH1 2.81Å; T54-R94 WeakPolarHBondContact CB-O 3.5Å; T54-R94 WeakPolarHBondContact OG1-CB 3.36Å; T54-R94 PolarHBondContact OG1-O 3.11Å; I88-R94 HydrophobicContact CB-CB 3.98Å; I88-R94 HydrophobicContact CG2-CB 3.77Å; I88-R94 WeakPolarHBondContact O-CB 3.16Å; K90-R94 PolarHBondContact O-N 2.79Å; P91-R94 VanDerWaalsContact O-CG 3.31Å; P91-R94 WeakPolarHBondContact O-CG 3.39Å; R94-Y98 WeakPolarHBondContact O-CB 3.48Å; R94-Y98 PolarHBondContact O-N 2.87Å |
| 95 | D | 94.1 | Very high | 94.4 | Very high | 64 Ų | 64 | 60.7 Ų | 60.7 | 34% | 0.342 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -73.9 | -45.8 | -178.3 | -62 | -18.5 | 0 | 0 | 0 | 109.8 | P91 L93 A97 Y98 Q99 | P91-D95 PolarHBondContact O-N 2.97Å; P91-D95 VanDerWaalsContact O-OD2 3.09Å; L93-D95 VanDerWaalsContact C-N 3.33Å; L93-D95 PolarHBondContact O-N 3.01Å; D95-A97 PolarHBondContact O-N 2.85Å; D95-Y98 PolarHBondContact O-N 2.83Å; D95-Q99 WeakPolarHBondContact O-CG 3.44Å; D95-Q99 PolarHBondContact O-N 2.85Å |
| 96 | V | 94.3 | Very high | 94.3 | Very high | 55 Ų | 55 | 61.3 Ų | 61.3 | 33% | 0.333 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -59.2 | -47.2 | 172.4 | 174.6 | 0 | 0 | 0 | 0 | 110.2 | G92 Y98 Q99 Y100 F138 | G92-V96 VanDerWaalsContact O-CG2 3.25Å; G92-V96 WeakPolarHBondContact O-CG2 3.11Å; G92-V96 PolarHBondContact O-N 2.79Å; V96-Y98 VanDerWaalsContact C-N 3.3Å; V96-Y98 PolarHBondContact O-N 2.8Å; V96-Q99 PolarHBondContact O-N 2.8Å; V96-Y100 HydrophobicContact CB-CD2 4.31Å; V96-Y100 HydrophobicContact CG1-CD2 3.59Å; V96-Y100 HydrophobicContact CG1-CE2 4.1Å; V96-Y100 WeakPolarHBondContact O-CB 3.28Å; V96-Y100 VanDerWaalsContact O-CD2 3.24Å; V96-Y100 WeakPolarHBondContact O-CD2 3.48Å; V96-Y100 PolarHBondContact O-N 3.31Å; V96-F138 HydrophobicContact CG1-CE2 3.77Å; V96-F138 HydrophobicContact CG1-CZ 3.69Å |
| 97 | A | 94.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -61.7 | -39.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | T54 I88 L93 D95 Q99 V101 I136 | T54-A97 HydrophobicContact CG2-CB 4.39Å; I88-A97 HydrophobicContact CD1-CB 3.18Å; L93-A97 WeakPolarHBondContact O-CB 3.26Å; L93-A97 PolarHBondContact O-N 2.89Å; D95-A97 PolarHBondContact O-N 2.85Å; A97-Q99 VanDerWaalsContact C-N 3.34Å; A97-Q99 PolarHBondContact O-N 3.09Å; A97-V101 HydrophobicContact CB-CG2 4.09Å; A97-V101 WeakPolarHBondContact O-CA 3.47Å; A97-V101 WeakPolarHBondContact O-CB 3.42Å; A97-V101 VanDerWaalsContact O-CG2 3.3Å; A97-V101 WeakPolarHBondContact O-CG2 3.3Å; A97-V101 PolarHBondContact O-N 3.03Å; A97-I136 HydrophobicContact CB-CD1 4.3Å |
| 98 | Y | 94.9 | Very high | 94.3 | Very high | 109 Ų | 109 | 63.5 Ų | 63.5 | 43% | 0.427 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -64.6 | -38.5 | 177.2 | -178.7 | -109.8 | 0 | 0 | 0 | 112.7 | P42 M44 R94 D95 V96 | P42-Y98 HydrophobicContact CB-CD2 4.45Å; P42-Y98 HydrophobicContact CG-CD2 4.34Å; P42-Y98 WeakPolarHBondContact O-CE2 3.44Å; M44-Y98 HydrophobicContact CB-CD2 3.93Å; M44-Y98 HydrophobicContact CB-CE2 4.01Å; M44-Y98 HydrophobicContact CB-CG 4.37Å; M44-Y98 HydrophobicContact CE-CD1 4.07Å; M44-Y98 HydrophobicContact CE-CG 3.96Å; R94-Y98 WeakPolarHBondContact O-CB 3.48Å; R94-Y98 PolarHBondContact O-N 2.87Å; D95-Y98 PolarHBondContact O-N 2.83Å; V96-Y98 VanDerWaalsContact C-N 3.3Å; V96-Y98 PolarHBondContact O-N 2.8Å |
| 99 | Q | 92.3 | Very high | 94.4 | Very high | 120 Ų | 120 | 63.5 Ų | 63.5 | 56% | 0.561 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -73.8 | -47.9 | 179.6 | -70.1 | 175.6 | -3.1 | 0 | 0 | 112.5 | D95 V96 A97 | D95-Q99 WeakPolarHBondContact O-CG 3.44Å; D95-Q99 PolarHBondContact O-N 2.85Å; V96-Q99 PolarHBondContact O-N 2.8Å; A97-Q99 VanDerWaalsContact C-N 3.34Å; A97-Q99 PolarHBondContact O-N 3.09Å |
| 100 | Y | 91.4 | Very high | 94.5 | Very high | 142 Ų | 142 | 60.9 Ų | 60.9 | 56% | 0.557 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -99.9 | -25.2 | -167.7 | -64.5 | -81.2 | 0 | 0 | 0 | 114.5 | V96 | V96-Y100 HydrophobicContact CB-CD2 4.31Å; V96-Y100 HydrophobicContact CG1-CD2 3.59Å; V96-Y100 HydrophobicContact CG1-CE2 4.1Å; V96-Y100 WeakPolarHBondContact O-CB 3.28Å; V96-Y100 VanDerWaalsContact O-CD2 3.24Å; V96-Y100 WeakPolarHBondContact O-CD2 3.48Å; V96-Y100 PolarHBondContact O-N 3.31Å |
| 101 | V | 93.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 28% | 0.277 | C | S | . | . | trans | -74.8 | 132.4 | 173.3 | -178.3 | 0 | 0 | 0 | 0 | 109.4 | V38 P42 A97 V107 F138 | V38-V101 HydrophobicContact CB-CG1 4.11Å; V38-V101 HydrophobicContact CG1-CG1 3.79Å; V38-V101 HydrophobicContact CG2-CG1 3.57Å; P42-V101 WeakPolarHBondContact CD-O 3.46Å; P42-V101 HydrophobicContact CG-CB 4.03Å; P42-V101 HydrophobicContact CG-CG1 4.42Å; P42-V101 VanDerWaalsContact CG-O 3.26Å; P42-V101 WeakPolarHBondContact CG-O 3.35Å; A97-V101 HydrophobicContact CB-CG2 4.09Å; A97-V101 WeakPolarHBondContact O-CA 3.47Å; A97-V101 WeakPolarHBondContact O-CB 3.42Å; A97-V101 VanDerWaalsContact O-CG2 3.3Å; A97-V101 WeakPolarHBondContact O-CG2 3.3Å; A97-V101 PolarHBondContact O-N 3.03Å; V101-V107 HydrophobicContact CG2-CG1 4.48Å; V101-F138 HydrophobicContact CG2-CD1 4.18Å; V101-F138 HydrophobicContact CG2-CE1 3.49Å; V101-F138 VanDerWaalsContact CG2-CE1 3.49Å; V101-F138 HydrophobicContact CG2-CZ 4.44Å | ||
| 102 | K | 94.1 | Very high | 94.9 | Very high | 101 Ų | 101 | 56.2 Ų | 56.2 | 44% | 0.439 | 28% | 0.275 | S | S | . | . | trans | -131.6 | 164.8 | 169.5 | -60.4 | -63.8 | 171.6 | -159.5 | 0 | 109.9 | V38 D41 G104 S105 | V38-K102 WeakPolarHBondContact CB-O 3.22Å; V38-K102 WeakPolarHBondContact CG1-O 3.16Å; D41-K102 WeakPolarHBondContact OD1-CA 3.39Å; K102-G104 PolarHBondContact O-N 3.15Å; K102-S105 PolarHBondContact N-OG 2.86Å; K102-S105 VanDerWaalsContact N-OG 3.15Å; K102-S105 WeakPolarHBondContact O-CB 3.19Å; K102-S105 PolarHBondContact O-N 3.34Å; K102-S105 PolarHBondContact O-OG 3.49Å | ||
| 103 | K | 94.8 | Very high | 95.1 | Very high | 145 Ų | 145 | 56.2 Ų | 56.2 | 63% | 0.63 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.2 | 132.2 | 168.3 | 178.7 | 174.1 | -179.6 | -174.5 | 0 | 110.1 | G39 D41 S105 | G39-K103 WeakPolarHBondContact O-CE 3.4Å; G39-K103 WeakPolarHBondContact O-CG 3.34Å; D41-K103 PolarHBondContact OD1-N 3.05Å; K103-S105 VanDerWaalsContact C-N 3.28Å; K103-S105 PolarHBondContact O-N 2.8Å |
| 104 | G | 93.4 | Very high | 95.2 | Very high | 34 Ų | 34 | 58.6 Ų | 58.6 | 35% | 0.351 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.1 | -14.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | R37 V38 K102 R106 | R37-G104 PolarHBondContact NH1-O 2.75Å; R37-G104 VanDerWaalsContact NH1-O 3.09Å; V38-G104 WeakPolarHBondContact O-CA 3.4Å; V38-G104 PolarHBondContact O-N 3.44Å; K102-G104 PolarHBondContact O-N 3.15Å; G104-R106 PolarHBondContact O-N 2.86Å |
| 105 | S | 94.1 | Very high | 95.1 | Very high | 8 Ų | 8 | 64.7 Ų | 64.7 | 6% | 0.056 | 30% | 0.3 | C | S | . | . | trans | -56.5 | 128.9 | 176.9 | -66 | 0 | 0 | 0 | 0 | 110.6 | R37 V38 K102 K103 S140 | R37-S105 WeakPolarHBondContact CA-O 3.48Å; V38-S105 WeakPolarHBondContact CG2-O 3.46Å; V38-S105 PolarHBondContact N-O 3.1Å; K102-S105 PolarHBondContact N-OG 2.86Å; K102-S105 VanDerWaalsContact N-OG 3.15Å; K102-S105 WeakPolarHBondContact O-CB 3.19Å; K102-S105 PolarHBondContact O-N 3.34Å; K102-S105 PolarHBondContact O-OG 3.49Å; K103-S105 VanDerWaalsContact C-N 3.28Å; K103-S105 PolarHBondContact O-N 2.8Å; S105-S140 WeakPolarHBondContact CA-OG 3.37Å | ||
| 106 | R | 95.3 | Very high | 94.9 | Very high | 116 Ų | 116 | 62.8 Ų | 62.8 | 44% | 0.438 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 122.8 | 167.6 | -164.8 | 178.6 | -171 | -179.3 | 1.8 | 109.4 | L35 G36 G104 L139 S140 | L35-R106 HydrophobicContact CD1-CG 4.29Å; G36-R106 WeakPolarHBondContact O-CA 3.35Å; G104-R106 PolarHBondContact O-N 2.86Å; R106-L139 HydrophobicContact CB-CB 4.27Å; R106-L139 HydrophobicContact CG-CB 4.21Å; R106-L139 HydrophobicContact CG-CD1 4.41Å; R106-L139 WeakPolarHBondContact O-CB 3.42Å; R106-L139 PolarHBondContact O-N 3.3Å; R106-S140 WeakPolarHBondContact CA-OG 3.36Å; R106-S140 PolarHBondContact N-OG 3.29Å; R106-S140 PolarHBondContact O-OG 3.13Å |
| 107 | V | 96.2 | Very high | 94.6 | Very high | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 142.9 | -177.4 | -63.3 | 0 | 0 | 0 | 0 | 110.4 | G36 V38 F56 M58 V101 V109 I136 V137 F138 | G36-V107 PolarHBondContact N-O 2.91Å; G36-V107 VanDerWaalsContact N-O 3.08Å; G36-V107 PolarHBondContact O-N 2.92Å; V38-V107 HydrophobicContact CG2-CG1 4.28Å; V38-V107 HydrophobicContact CG2-CG2 3.78Å; F56-V107 HydrophobicContact CE2-CG2 4.36Å; M58-V107 HydrophobicContact CE-CG2 4.17Å; V101-V107 HydrophobicContact CG2-CG1 4.48Å; V107-V109 HydrophobicContact CG2-CG2 3.99Å; V107-I136 HydrophobicContact CB-CG2 4.25Å; V107-I136 HydrophobicContact CG1-CG2 4.44Å; V107-V137 WeakPolarHBondContact CA-O 3.49Å; V107-F138 HydrophobicContact CG1-CD1 4.4Å |
| 108 | L | 97.2 | Very high | 94.1 | Very high | 50 Ų | 50 | 72 Ų | 72 | 26% | 0.262 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 126 | 161.5 | -179.4 | 77.1 | 0 | 0 | 0 | 107.5 | L34 L35 I136 V137 L139 | L34-L108 CarbonylContact O-C 3.48Å; L34-L108 VanDerWaalsContact O-CA 3.28Å; L34-L108 WeakPolarHBondContact O-CA 3.24Å; L35-L108 HydrophobicContact CB-CD1 3.98Å; L35-L108 HydrophobicContact CD1-CB 4.34Å; L108-I136 CarbonylContact O-C 3.57Å; L108-I136 VanDerWaalsContact O-CA 3.31Å; L108-I136 WeakPolarHBondContact O-CA 3.38Å; L108-V137 HydrophobicContact CB-CB 4.09Å; L108-V137 HydrophobicContact CD2-CB 4.42Å; L108-V137 HydrophobicContact CD2-CG2 4.18Å; L108-V137 PolarHBondContact N-O 3Å; L108-V137 PolarHBondContact O-N 2.95Å; L108-L139 HydrophobicContact CB-CD1 4.21Å |
| 109 | V | 97.3 | Very high | 93.8 | Very high | 0 Ų | 0 | 70.6 Ų | 70.6 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 126.8 | 177.6 | 178.3 | 0 | 0 | 0 | 0 | 108.1 | Q33 L34 F56 M58 V86 V107 I131 A133 I136 | Q33-V109 CarbonylContact C-O 3.55Å; Q33-V109 WeakPolarHBondContact CA-O 3.49Å; L34-V109 PolarHBondContact N-O 2.89Å; L34-V109 PolarHBondContact O-N 3.1Å; F56-V109 HydrophobicContact CE2-CG2 4.47Å; F56-V109 HydrophobicContact CZ-CG2 4.01Å; M58-V109 HydrophobicContact CE-CG2 4.34Å; M58-V109 HydrophobicContact SD-CB 4.17Å; M58-V109 HydrophobicContact SD-CG2 3.66Å; V86-V109 HydrophobicContact CG1-CG1 3.94Å; V86-V109 HydrophobicContact CG2-CG1 4.36Å; V107-V109 HydrophobicContact CG2-CG2 3.99Å; V109-I131 HydrophobicContact CG1-CG2 4.45Å; V109-A133 HydrophobicContact CG1-CB 3.81Å; V109-I136 HydrophobicContact CG2-CG1 4.3Å |
| 110 | E | 98.1 | Very high | 93.4 | Very high | 43 Ų | 43 | 67.9 Ų | 67.9 | 20% | 0.201 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 141.8 | 167.3 | -53.1 | -169 | 107.1 | 0 | 0 | 110.1 | R31 V32 Q33 A133 D134 N135 | R31-E110 IonicContact CZ-OE1 3.88Å; R31-E110 IonicContact NH2-OE1 2.92Å; R31-E110 PolarHBondContact NH2-OE1 2.76Å; V32-E110 WeakPolarHBondContact O-CA 3.21Å; Q33-E110 HydrophobicContact CG-CG 4.12Å; Q33-E110 PolarHBondContact NE2-OE1 2.91Å; E110-A133 WeakPolarHBondContact O-CA 3.42Å; E110-D134 PolarHBondContact O-N 2.86Å; E110-N135 HydrophobicContact CB-CB 4.26Å; E110-N135 PolarHBondContact N-O 3.4Å; E110-N135 PolarHBondContact O-N 3.15Å; E110-N135 VanDerWaalsContact O-N 3.12Å; E110-N135 VanDerWaalsContact O-O 3.14Å; E110-N135 PolarHBondContact OE2-ND2 2.79Å |
| 111 | G | 97.5 | Very high | 93.2 | Very high | 6 Ų | 6 | 70.8 Ų | 70.8 | 6% | 0.062 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 177.3 | -146.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | R31 V32 I132 | R31-G111 CarbonylContact C-O 3.49Å; R31-G111 WeakPolarHBondContact CA-O 3.23Å; V32-G111 PolarHBondContact N-O 2.87Å; V32-G111 PolarHBondContact O-N 3.21Å; G111-I132 CarbonylContact C-O 3.59Å; G111-I132 WeakPolarHBondContact CA-O 2.98Å |
| 112 | K | 97.3 | Very high | 93 | Very high | 90 Ų | 90 | 77 Ų | 77 | 39% | 0.391 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 154.2 | -178.4 | 62.4 | -173.2 | 178.3 | -175.6 | 0 | 111.3 | I131 I132 | K112-I131 CarbonylContact O-C 3.56Å; K112-I131 WeakPolarHBondContact O-CA 3.32Å; K112-I132 HydrophobicContact CG-CB 3.93Å; K112-I132 PolarHBondContact N-O 3.25Å; K112-I132 PolarHBondContact O-N 3.02Å |
| 113 | L | 97.2 | Very high | 92.8 | Very high | 48 Ų | 48 | 78.8 Ų | 78.8 | 25% | 0.251 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 135 | 175.1 | -159.3 | 66.4 | 0 | 0 | 0 | 110.3 | N30 V32 Y115 T129 I131 | N30-L113 PolarHBondContact ND2-O 2.86Å; N30-L113 PolarHBondContact OD1-N 3.13Å; V32-L113 HydrophobicContact CG2-CB 4.02Å; V32-L113 HydrophobicContact CG2-CD1 4.46Å; L113-Y115 HydrophobicContact CD2-CE1 4.31Å; L113-Y115 HydrophobicContact CD2-CE2 3.83Å; L113-Y115 WeakPolarHBondContact CD2-OH 3.45Å; L113-Y115 HydrophobicContact CG-CE2 4.21Å; L113-T129 HydrophobicContact CD1-CG2 3.45Å; L113-T129 VanDerWaalsContact CD1-CG2 3.45Å; L113-T129 HydrophobicContact CD2-CG2 4.24Å; L113-T129 HydrophobicContact CG-CG2 3.9Å; L113-I131 HydrophobicContact CD1-CG1 3.93Å |
| 114 | D | 96.2 | Very high | 92.6 | Very high | 74 Ų | 74 | 75.2 Ų | 75.2 | 40% | 0.396 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 135.1 | 176.6 | -173.3 | 67.3 | 0 | 0 | 0 | 109.6 | T130 I132 | D114-T130 PolarHBondContact N-O 2.86Å; D114-T130 PolarHBondContact O-N 2.99Å; D114-T130 VanDerWaalsContact O-O 3.06Å; D114-I132 HydrophobicContact CB-CD1 3.62Å; D114-I132 HydrophobicContact CB-CG1 3.86Å |
| 115 | Y | 94.3 | Very high | 92.4 | Very high | 153 Ų | 153 | 82.6 Ų | 82.6 | 60% | 0.6 | 39% | 0.393 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 102.1 | 177.2 | -61.1 | -86.3 | 0 | 0 | 0 | 108 | L113 T129 | L113-Y115 HydrophobicContact CD2-CE1 4.31Å; L113-Y115 HydrophobicContact CD2-CE2 3.83Å; L113-Y115 WeakPolarHBondContact CD2-OH 3.45Å; L113-Y115 HydrophobicContact CG-CE2 4.21Å; Y115-T129 HydrophobicContact CD1-CG2 4.05Å; Y115-T129 WeakPolarHBondContact CD1-OG1 3.39Å; Y115-T129 HydrophobicContact CE1-CG2 3.8Å; Y115-T129 WeakPolarHBondContact CE1-OG1 3.49Å |
| 116 | G | 88.8 | Confident | 92.2 | Very high | 24 Ų | 24 | 88.5 Ų | 88.5 | 25% | 0.247 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 159.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q127 A128 | G116-Q127 CarbonylContact O-C 3.58Å; G116-Q127 WeakPolarHBondContact O-CA 3.5Å; G116-A128 PolarHBondContact N-O 3Å; G116-A128 PolarHBondContact O-N 2.85Å |
| 117 | E | 88.2 | Confident | 92 | Very high | 125 Ų | 125 | 90 Ų | 90 | 58% | 0.584 | 43% | 0.426 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 140.4 | 166.2 | -64.5 | -169.3 | 165.5 | 0 | 0 | 109.7 | R125 R126 Q127 | E117-R125 IonicContact OE2-NH1 3.93Å; E117-R126 WeakPolarHBondContact CA-O 3.48Å; E117-Q127 HydrophobicContact CG-CG 4.36Å |
| 118 | Y | 84.6 | Confident | 91.6 | Very high | 123 Ų | 123 | 91 Ų | 91 | 48% | 0.482 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 149.9 | 169.4 | 70.1 | -80.6 | 0 | 0 | 0 | 110 | R126 A128 | Y118-R126 HydrophobicContact CD1-CB 4.17Å; Y118-R126 WeakPolarHBondContact CD1-O 3.44Å; Y118-R126 HydrophobicContact CE1-CB 3.65Å; Y118-R126 HydrophobicContact CE2-CB 4.08Å; Y118-R126 HydrophobicContact CE2-CG 4.47Å; Y118-R126 PolarHBondContact N-O 3.24Å; Y118-R126 PolarHBondContact O-N 2.82Å; Y118-A128 HydrophobicContact CD1-CB 3.7Å; Y118-A128 HydrophobicContact CE1-CB 3.71Å |
| 119 | V | 87.6 | Confident | 91.4 | Very high | 81 Ų | 81 | 92.2 Ų | 92.2 | 49% | 0.491 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 123.5 | 175.8 | -177 | 0 | 0 | 0 | 0 | 107.7 | R125 | V119-R125 HydrophobicContact CG2-CG 4.29Å |
| 120 | D | 85.6 | Confident | 91.3 | Very high | 63 Ų | 63 | 92.7 Ų | 92.7 | 34% | 0.337 | 45% | 0.447 | S | S | . | . | trans | -76.5 | 169 | 175.7 | -162.8 | 5.3 | 0 | 0 | 0 | 111 | N122 N123 V124 | D120-N122 PolarHBondContact O-N 3.09Å; D120-N123 PolarHBondContact O-N 2.8Å; D120-V124 PolarHBondContact N-O 3.48Å | ||
| 121 | K | 86 | Confident | 91.3 | Very high | 202 Ų | 202 | 91 Ų | 91 | 88% | 0.878 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | -25.9 | 179.7 | -65.2 | -177.5 | 179.4 | -179 | 0 | 113.7 | N123 | K121-N123 PolarHBondContact O-N 3.49Š|
| 122 | N | 90.4 | Very high | 91.3 | Very high | 132 Ų | 132 | 92 Ų | 92 | 71% | 0.706 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.1 | 14.3 | 177.6 | -60 | -22.7 | 0 | 0 | 0 | 113.2 | D120 V124 | D120-N122 PolarHBondContact O-N 3.09Å; N122-V124 HydrophobicContact CB-CG2 4.4Å; N122-V124 PolarHBondContact O-N 2.95Å |
| 123 | N | 88.2 | Confident | 91.3 | Very high | 138 Ų | 138 | 87.8 Ų | 87.8 | 74% | 0.738 | 43% | 0.425 | S | S | * | . | S | Bend | trans | 60.7 | 22.8 | -177.9 | -155.2 | 35.7 | 0 | 0 | 0 | 114.8 | D120 K121 | D120-N123 PolarHBondContact O-N 2.8Å; K121-N123 PolarHBondContact O-N 3.49Å |
| 124 | V | 91.9 | Very high | 91.3 | Very high | 69 Ų | 69 | 89.5 Ų | 89.5 | 42% | 0.418 | 43% | 0.434 | S | S | . | . | trans | -94.8 | 128.2 | 176.7 | -179.8 | 0 | 0 | 0 | 0 | 109.4 | D120 N122 R126 | D120-V124 PolarHBondContact N-O 3.48Å; N122-V124 HydrophobicContact CB-CG2 4.4Å; N122-V124 PolarHBondContact O-N 2.95Å; V124-R126 PolarHBondContact O-N 3Å | ||
| 125 | R | 89.1 | Confident | 91.3 | Very high | 190 Ų | 190 | 89.3 Ų | 89.3 | 72% | 0.717 | 43% | 0.433 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 126.2 | 172.7 | -65.5 | -172.9 | -176.6 | -163 | 4 | 110 | E117 V119 | E117-R125 IonicContact OE2-NH1 3.93Å; V119-R125 HydrophobicContact CG2-CG 4.29Å |
| 126 | R | 90.2 | Very high | 91.3 | Very high | 132 Ų | 132 | 82.5 Ų | 82.5 | 50% | 0.498 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 137.6 | 176.2 | -65.2 | -66.5 | -172.4 | 172.5 | -0.9 | 109 | E117 Y118 V124 | E117-R126 WeakPolarHBondContact CA-O 3.48Å; Y118-R126 HydrophobicContact CD1-CB 4.17Å; Y118-R126 WeakPolarHBondContact CD1-O 3.44Å; Y118-R126 HydrophobicContact CE1-CB 3.65Å; Y118-R126 HydrophobicContact CE2-CB 4.08Å; Y118-R126 HydrophobicContact CE2-CG 4.47Å; Y118-R126 PolarHBondContact N-O 3.24Å; Y118-R126 PolarHBondContact O-N 2.82Å; V124-R126 PolarHBondContact O-N 3Å |
| 127 | Q | 89.5 | Confident | 91.6 | Very high | 146 Ų | 146 | 84.2 Ų | 84.2 | 68% | 0.682 | 41% | 0.413 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 135.2 | 170.3 | -69.2 | -179.7 | -10.7 | 0 | 0 | 109.3 | G116 E117 | G116-Q127 CarbonylContact O-C 3.58Å; G116-Q127 WeakPolarHBondContact O-CA 3.5Å; E117-Q127 HydrophobicContact CG-CG 4.36Å |
| 128 | A | 88.6 | Confident | 91.9 | Very high | 22 Ų | 22 | 81.7 Ų | 81.7 | 18% | 0.182 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 114.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | G116 Y118 | G116-A128 PolarHBondContact N-O 3Å; G116-A128 PolarHBondContact O-N 2.85Å; Y118-A128 HydrophobicContact CD1-CB 3.7Å; Y118-A128 HydrophobicContact CE1-CB 3.71Å |
| 129 | T | 93.9 | Very high | 92.1 | Very high | 75 Ų | 75 | 79.8 Ų | 79.8 | 46% | 0.46 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 124.1 | 169.2 | -48.3 | 0 | 0 | 0 | 0 | 109.4 | L113 Y115 | L113-T129 HydrophobicContact CD1-CG2 3.45Å; L113-T129 VanDerWaalsContact CD1-CG2 3.45Å; L113-T129 HydrophobicContact CD2-CG2 4.24Å; L113-T129 HydrophobicContact CG-CG2 3.9Å; Y115-T129 HydrophobicContact CD1-CG2 4.05Å; Y115-T129 WeakPolarHBondContact CD1-OG1 3.39Å; Y115-T129 HydrophobicContact CE1-CG2 3.8Å; Y115-T129 WeakPolarHBondContact CE1-OG1 3.49Å |
| 130 | T | 95.3 | Very high | 91.6 | Very high | 11 Ų | 11 | 77.6 Ų | 77.6 | 7% | 0.067 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 144.6 | 178.8 | -60.6 | 0 | 0 | 0 | 0 | 109.6 | R85 S87 D114 | R85-T130 HydrophobicContact CG-CG2 4.43Å; R85-T130 PolarHBondContact NH1-OG1 2.81Å; S87-T130 VanDerWaalsContact OG-CG2 3.22Å; S87-T130 WeakPolarHBondContact OG-CG2 3.4Å; D114-T130 PolarHBondContact N-O 2.86Å; D114-T130 PolarHBondContact O-N 2.99Å; D114-T130 VanDerWaalsContact O-O 3.06Å |
| 131 | I | 97.6 | Very high | 90.6 | Very high | 8 Ų | 8 | 82 Ų | 82 | 4% | 0.041 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 119.7 | 172.1 | -64.3 | 139.1 | 0 | 0 | 0 | 108 | V32 L34 H84 R85 V86 S87 V109 K112 L113 | V32-I131 HydrophobicContact CB-CG2 4.37Å; V32-I131 HydrophobicContact CG1-CD1 4.44Å; V32-I131 HydrophobicContact CG1-CG1 4.21Å; V32-I131 HydrophobicContact CG1-CG2 4.15Å; L34-I131 HydrophobicContact CD1-CD1 3.46Å; L34-I131 VanDerWaalsContact CD1-CD1 3.46Å; H84-I131 HydrophobicContact CB-CD1 3.77Å; R85-I131 PolarHBondContact O-N 2.87Å; V86-I131 CarbonylContact C-O 3.55Å; V86-I131 WeakPolarHBondContact CA-O 3.42Å; S87-I131 PolarHBondContact N-O 3.41Å; V109-I131 HydrophobicContact CG1-CG2 4.45Å; K112-I131 CarbonylContact O-C 3.56Å; K112-I131 WeakPolarHBondContact O-CA 3.32Å; L113-I131 HydrophobicContact CD1-CG1 3.93Å |
| 132 | I | 97.1 | Very high | 89.1 | Confident | 25 Ų | 25 | 79 Ų | 79 | 13% | 0.128 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 110.9 | 172.5 | -61.2 | 178.7 | 0 | 0 | 0 | 107.2 | S87 F89 G111 K112 D114 | S87-I132 WeakPolarHBondContact O-CA 3.32Å; F89-I132 HydrophobicContact CD2-CG2 4Å; F89-I132 HydrophobicContact CE2-CD1 4.3Å; F89-I132 HydrophobicContact CE2-CG1 4.14Å; F89-I132 HydrophobicContact CE2-CG2 4.46Å; G111-I132 CarbonylContact C-O 3.59Å; G111-I132 WeakPolarHBondContact CA-O 2.98Å; K112-I132 HydrophobicContact CG-CB 3.93Å; K112-I132 PolarHBondContact N-O 3.25Å; K112-I132 PolarHBondContact O-N 3.02Å; D114-I132 HydrophobicContact CB-CD1 3.62Å; D114-I132 HydrophobicContact CB-CG1 3.86Å |
| 133 | A | 97.4 | Very high | 87.4 | Confident | 2 Ų | 2 | 80 Ų | 80 | 2% | 0.017 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 129.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | V86 S87 I88 V109 E110 I136 | V86-A133 HydrophobicContact CG1-CB 3.76Å; S87-A133 PolarHBondContact O-N 3.21Å; I88-A133 HydrophobicContact CG1-CB 3.97Å; V109-A133 HydrophobicContact CG1-CB 3.81Å; E110-A133 WeakPolarHBondContact O-CA 3.42Å; A133-I136 HydrophobicContact CB-CD1 4.28Å; A133-I136 HydrophobicContact CB-CG1 4.28Å |
| 134 | D | 96.4 | Very high | 85.8 | Confident | 84 Ų | 84 | 84.9 Ų | 84.9 | 45% | 0.449 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | -28.5 | 174.5 | -67.2 | -44.1 | 0 | 0 | 0 | 111.6 | L93 E110 | L93-D134 WeakPolarHBondContact CD2-O 3.44Å; E110-D134 PolarHBondContact O-N 2.86Å |
| 135 | N | 96.4 | Very high | 83.9 | Confident | 71 Ų | 71 | 85.3 Ų | 85.3 | 38% | 0.38 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 146 | 179.3 | -171.4 | 22.3 | 0 | 0 | 0 | 111.5 | E110 | E110-N135 HydrophobicContact CB-CB 4.26Å; E110-N135 PolarHBondContact N-O 3.4Å; E110-N135 PolarHBondContact O-N 3.15Å; E110-N135 VanDerWaalsContact O-N 3.12Å; E110-N135 VanDerWaalsContact O-O 3.14Å; E110-N135 PolarHBondContact OE2-ND2 2.79Å |
| 136 | I | 95.5 | Very high | 82 | Confident | 9 Ų | 9 | 86 Ų | 86 | 5% | 0.046 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 129.8 | 175.2 | -60.6 | 176.2 | 0 | 0 | 0 | 108.7 | F56 I88 L93 A97 V107 L108 V109 A133 F138 | F56-I136 HydrophobicContact CE1-CD1 4.1Å; F56-I136 HydrophobicContact CZ-CD1 4.22Å; I88-I136 HydrophobicContact CD1-CD1 3.5Å; I88-I136 VanDerWaalsContact CD1-CD1 3.5Å; I88-I136 HydrophobicContact CG1-CD1 3.92Å; L93-I136 HydrophobicContact CD1-CB 4.13Å; L93-I136 HydrophobicContact CD1-CG1 4.36Å; L93-I136 HydrophobicContact CD2-CD1 4.5Å; L93-I136 HydrophobicContact CD2-CG1 4.24Å; L93-I136 HydrophobicContact CG-CD1 4.45Å; L93-I136 HydrophobicContact CG-CG1 4.49Å; A97-I136 HydrophobicContact CB-CD1 4.3Å; V107-I136 HydrophobicContact CB-CG2 4.25Å; V107-I136 HydrophobicContact CG1-CG2 4.44Å; L108-I136 CarbonylContact O-C 3.57Å; L108-I136 VanDerWaalsContact O-CA 3.31Å; L108-I136 WeakPolarHBondContact O-CA 3.38Å; V109-I136 HydrophobicContact CG2-CG1 4.3Å; A133-I136 HydrophobicContact CB-CD1 4.28Å; A133-I136 HydrophobicContact CB-CG1 4.28Å; I136-F138 HydrophobicContact CG2-CE1 4.27Å; I136-F138 HydrophobicContact CG2-CE2 4.3Å; I136-F138 HydrophobicContact CG2-CZ 4.11Å |
| 137 | V | 95.3 | Very high | 80.3 | Confident | 60 Ų | 60 | 87.6 Ų | 87.6 | 36% | 0.364 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 123.8 | 169.9 | -173.7 | 0 | 0 | 0 | 0 | 108.8 | V107 L108 L139 | V107-V137 WeakPolarHBondContact CA-O 3.49Å; L108-V137 HydrophobicContact CB-CB 4.09Å; L108-V137 HydrophobicContact CD2-CB 4.42Å; L108-V137 HydrophobicContact CD2-CG2 4.18Å; L108-V137 PolarHBondContact N-O 3Å; L108-V137 PolarHBondContact O-N 2.95Å; V137-L139 HydrophobicContact CG1-CD2 4.08Å; V137-L139 HydrophobicContact CG1-CG 4.5Å |
| 138 | F | 92.9 | Very high | 77.9 | Confident | 73 Ų | 73 | 93.5 Ų | 93.5 | 32% | 0.32 | 49% | 0.487 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 123 | 177.5 | -54.6 | -93.4 | 0 | 0 | 0 | 108.7 | V96 V101 V107 I136 | V96-F138 HydrophobicContact CG1-CE2 3.77Å; V96-F138 HydrophobicContact CG1-CZ 3.69Å; V101-F138 HydrophobicContact CG2-CD1 4.18Å; V101-F138 HydrophobicContact CG2-CE1 3.49Å; V101-F138 VanDerWaalsContact CG2-CE1 3.49Å; V101-F138 HydrophobicContact CG2-CZ 4.44Å; V107-F138 HydrophobicContact CG1-CD1 4.4Å; I136-F138 HydrophobicContact CG2-CE1 4.27Å; I136-F138 HydrophobicContact CG2-CE2 4.3Å; I136-F138 HydrophobicContact CG2-CZ 4.11Å |
| 139 | L | 90 | Very high | 77.3 | Confident | 82 Ų | 82 | 97.1 Ų | 97.1 | 43% | 0.429 | 50% | 0.502 | S | S | . | . | trans | -115.1 | 16.4 | -174.8 | -62.1 | 168.2 | 0 | 0 | 0 | 112.2 | L35 R106 L108 V137 | L35-L139 HydrophobicContact CD1-CD1 3.22Å; R106-L139 HydrophobicContact CB-CB 4.27Å; R106-L139 HydrophobicContact CG-CB 4.21Å; R106-L139 HydrophobicContact CG-CD1 4.41Å; R106-L139 WeakPolarHBondContact O-CB 3.42Å; R106-L139 PolarHBondContact O-N 3.3Å; L108-L139 HydrophobicContact CB-CD1 4.21Å; V137-L139 HydrophobicContact CG1-CD2 4.08Å; V137-L139 HydrophobicContact CG1-CG 4.5Å | ||
| 140 | S | 76.5 | Confident | 76.5 | Confident | 35 Ų | 35 | 98.2 Ų | 98.2 | 25% | 0.245 | 51% | 0.505 | C | S | . | . | trans | -110.6 | 130.6 | -175.4 | -55.4 | 0 | 0 | 0 | 0 | 110.8 | S105 R106 N142 | S105-S140 WeakPolarHBondContact CA-OG 3.37Å; R106-S140 WeakPolarHBondContact CA-OG 3.36Å; R106-S140 PolarHBondContact N-OG 3.29Å; R106-S140 PolarHBondContact O-OG 3.13Å; S140-N142 PolarHBondContact O-N 3.35Å; S140-N142 VanDerWaalsContact O-N 3.09Å | ||
| 141 | D | 63.7 | Low | 75.4 | Confident | 155 Ų | 155 | 103.1 Ų | 103.1 | 83% | 0.829 | 53% | 0.529 | S | S | * | . | trans | -77.4 | 16.9 | -178.2 | -64.3 | -33.9 | 0 | 0 | 0 | 114.5 | I143 R144 | D141-I143 PolarHBondContact O-N 3.19Å; D141-R144 PolarHBondContact O-N 3.44Å | ||
| 142 | N | 55.9 | Low | 74.1 | Confident | 140 Ų | 140 | 108.6 Ų | 108.6 | 75% | 0.749 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.6 | 18.3 | -176.6 | -91.2 | -0.9 | 0 | 0 | 0 | 114.5 | S140 R144 | S140-N142 PolarHBondContact O-N 3.35Å; S140-N142 VanDerWaalsContact O-N 3.09Å; N142-R144 VanDerWaalsContact C-N 3.28Å |
| 143 | I | 55.2 | Low | 72.7 | Confident | 153 Ų | 153 | 113.9 Ų | 113.9 | 79% | 0.785 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79 | -12.1 | 172 | -60.8 | 177.9 | 0 | 0 | 0 | 111.2 | D141 | D141-I143 PolarHBondContact O-N 3.19Š|
| 144 | R | 53.3 | Low | 71 | Confident | 241 Ų | 241 | 121.3 Ų | 121.3 | 91% | 0.909 | 62% | 0.622 | S | S | * | * | S | Bend | trans | -110.2 | 107.9 | 177.5 | -84.5 | 179.9 | 154.7 | 180 | -6.5 | 113.1 | D141 N142 | D141-R144 PolarHBondContact O-N 3.44Å; N142-R144 VanDerWaalsContact C-N 3.28Å |
| 145 | G | 52.1 | Low | 69.2 | Low | 77 Ų | 77 | 124 Ų | 124 | 79% | 0.794 | 64% | 0.635 | S | S | * | * | trans | 127.5 | 72.8 | 153.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 146 | K | 48.6 | Very low | 67.1 | Low | 205 Ų | 205 | 128.1 Ų | 128.1 | 89% | 0.891 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -143.9 | 28.2 | 152.4 | -128.5 | -174 | -173.1 | -172.3 | 0 | 114.3 | ||
| 147 | D | 54.8 | Low | 64.7 | Low | 165 Ų | 165 | 138 Ų | 138 | 88% | 0.882 | 71% | 0.705 | S | S | * | * | trans | -125.2 | 72.7 | 165.9 | -67.5 | -33.6 | 0 | 0 | 0 | 108.5 | ||||
| 148 | Q | 38.9 | Very low | 62 | Low | 270 Ų | 270 | 145.1 Ų | 145.1 | 100% | 1.262 | 74% | 0.736 | S | S | * | * | trans | -149.9 | 0 | 151.5 | -73.3 | -162 | 0.8 | 0 | 0 | 108.4 |
Retrieved 148 of 148 residues in 670.3 ms
(Link to these results)