| 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 | 37.5 | Very low | 40.5 | Very low | 248 Ų | 248 | 151.8 Ų | 151.8 | 100% | 1.222 | 83% | 0.832 | S | S | * | * | 0 | 145.8 | 0 | -78.3 | 176.8 | -101 | 0 | 0 | 108.2 | |||||
| 2 | I | 36.6 | Very low | 40.4 | Very low | 146 Ų | 146 | 147.6 Ų | 147.6 | 75% | 0.749 | 83% | 0.832 | S | S | * | * | trans | -79.8 | 144.2 | -178.4 | -63.7 | 154.3 | 0 | 0 | 0 | 109.1 | M4 | I2-M4 HydrophobicContact CG2-CG 4.11Å; I2-M4 HydrophobicContact CG2-SD 4.36Å | ||
| 3 | L | 38.1 | Very low | 40.1 | Very low | 176 Ų | 176 | 143 Ų | 143 | 92% | 0.921 | 84% | 0.838 | S | S | * | * | trans | -144.6 | 135.9 | 140.8 | -96.3 | 174 | 0 | 0 | 0 | 108.6 | ||||
| 4 | M | 37.6 | Very low | 39.6 | Very low | 155 Ų | 155 | 137.9 Ų | 137.9 | 76% | 0.764 | 83% | 0.83 | S | S | * | * | trans | -125.9 | 171.6 | 179.8 | -71.9 | 170.3 | 62.9 | 0 | 0 | 108.9 | I2 | I2-M4 HydrophobicContact CG2-CG 4.11Å; I2-M4 HydrophobicContact CG2-SD 4.36Å | ||
| 5 | S | 45.1 | Very low | 39.5 | Very low | 118 Ų | 118 | 135.3 Ų | 135.3 | 83% | 0.825 | 83% | 0.83 | S | S | * | * | trans | 77.1 | 137.3 | 176.5 | -50 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 6 | D | 39.7 | Very low | 39.7 | Very low | 149 Ų | 149 | 142.1 Ų | 142.1 | 80% | 0.797 | 84% | 0.836 | S | S | * | * | cis | -134.9 | 160.7 | 41.8 | -154 | -128.1 | 0 | 0 | 0 | 116.2 | ||||
| 7 | E | 42.8 | Very low | 39.8 | Very low | 170 Ų | 170 | 140.4 Ų | 140.4 | 79% | 0.794 | 83% | 0.833 | S | S | * | * | trans | -31.1 | 165.6 | 173 | -103.2 | 165 | 57.9 | 0 | 0 | 120.5 | ||||
| 8 | A | 45.2 | Very low | 39.9 | Very low | 73 Ų | 73 | 141.9 Ų | 141.9 | 60% | 0.603 | 83% | 0.83 | S | S | * | * | cis | -149.3 | 154.6 | 13.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 9 | Q | 45.1 | Very low | 40.3 | Very low | 176 Ų | 176 | 144.6 Ų | 144.6 | 82% | 0.822 | 83% | 0.834 | S | S | * | * | trans | 24.6 | 124.3 | 140.7 | -61.7 | 168.1 | -36.8 | 0 | 0 | 120.9 | ||||
| 10 | D | 37.9 | Very low | 40.3 | Very low | 167 Ų | 167 | 143.7 Ų | 143.7 | 89% | 0.893 | 83% | 0.831 | S | S | * | * | -159.7 | 163.6 | 84 | -144.1 | -27.5 | 0 | 0 | 0 | 111.8 | |||||
| 11 | A | 40.1 | Very low | 40.5 | Very low | 92 Ų | 92 | 139.5 Ų | 139.5 | 76% | 0.76 | 82% | 0.818 | S | S | * | * | trans | -113.9 | 130.4 | -163.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 12 | A | 38.7 | Very low | 40.8 | Very low | 101 Ų | 101 | 133 Ų | 133 | 84% | 0.835 | 80% | 0.797 | S | S | * | * | trans | -153.7 | 120.3 | 152.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | G14 | A12-G14 PolarHBondContact O-N 3.42Š| ||
| 13 | G | 36.7 | Very low | 41 | Very low | 88 Ų | 88 | 131.9 Ų | 131.9 | 91% | 0.907 | 80% | 0.797 | S | S | * | * | trans | -73.6 | 111.9 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 14 | G | 33.2 | Very low | 41.7 | Very low | 71 Ų | 71 | 129 Ų | 129 | 73% | 0.732 | 79% | 0.787 | S | S | * | * | trans | -97.7 | 85.3 | 161.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | A12 R16 | A12-G14 PolarHBondContact O-N 3.42Å; G14-R16 PolarHBondContact O-N 3.3Å | ||
| 15 | A | 38.5 | Very low | 42 | Very low | 100 Ų | 100 | 129.3 Ų | 129.3 | 83% | 0.826 | 79% | 0.786 | S | S | * | * | trans | -59.2 | 109 | 171.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | S17 | A15-S17 PolarHBondContact O-N 3.46Š| ||
| 16 | R | 43.1 | Very low | 42 | Very low | 243 Ų | 243 | 129.5 Ų | 129.5 | 92% | 0.917 | 78% | 0.784 | S | S | * | * | trans | -66.2 | 82.4 | 171.9 | -80.3 | -179.6 | 162.9 | -173.5 | -4.9 | 108.4 | G14 Q18 | G14-R16 PolarHBondContact O-N 3.3Å; R16-Q18 PolarHBondContact O-N 2.83Å | ||
| 17 | S | 40.7 | Very low | 42.9 | Very low | 113 Ų | 113 | 129.8 Ų | 129.8 | 79% | 0.79 | 78% | 0.779 | S | S | * | * | trans | -53.9 | 112.8 | 164.3 | -172.7 | 0 | 0 | 0 | 0 | 106.4 | A15 Q19 | A15-S17 PolarHBondContact O-N 3.46Å; S17-Q19 PolarHBondContact O-N 3.08Å; S17-Q19 VanDerWaalsContact O-N 3.1Å | ||
| 18 | Q | 42.7 | Very low | 44 | Very low | 168 Ų | 168 | 127.9 Ų | 127.9 | 79% | 0.785 | 78% | 0.779 | S | S | * | * | trans | -58.3 | 120.9 | 177.5 | -71.1 | 170.2 | -7.7 | 0 | 0 | 106.5 | R16 V20 | R16-Q18 PolarHBondContact O-N 2.83Å; Q18-V20 PolarHBondContact O-N 3.37Å | ||
| 19 | Q | 47.5 | Very low | 45.6 | Very low | 193 Ų | 193 | 126.1 Ų | 126.1 | 90% | 0.902 | 76% | 0.76 | S | S | * | * | trans | -70.8 | 78.3 | 176.1 | -172 | 169.3 | -47.2 | 0 | 0 | 107.6 | S17 G21 | S17-Q19 PolarHBondContact O-N 3.08Å; S17-Q19 VanDerWaalsContact O-N 3.1Å; Q19-G21 PolarHBondContact O-N 3.46Å | ||
| 20 | V | 40.3 | Very low | 47.6 | Very low | 127 Ų | 127 | 122.2 Ų | 122.2 | 77% | 0.77 | 75% | 0.745 | S | S | * | * | trans | -53.7 | 116.2 | 173.5 | 178.3 | 0 | 0 | 0 | 0 | 105.8 | Q18 S22 | Q18-V20 PolarHBondContact O-N 3.37Å; V20-S22 PolarHBondContact O-N 3.4Å | ||
| 21 | G | 44.5 | Very low | 50 | Low | 55 Ų | 55 | 116.3 Ų | 116.3 | 57% | 0.567 | 72% | 0.715 | S | S | * | * | trans | -52.4 | 129.9 | -171.1 | 0 | 0 | 0 | 0 | 0 | 110 | Q19 V23 | Q19-G21 PolarHBondContact O-N 3.46Å; G21-V23 PolarHBondContact O-N 3.49Å | ||
| 22 | S | 43.2 | Very low | 52.5 | Low | 111 Ų | 111 | 112.5 Ų | 112.5 | 78% | 0.776 | 68% | 0.681 | S | S | * | * | trans | -58 | 106.1 | 169.2 | -173.2 | 0 | 0 | 0 | 0 | 106.8 | V20 T24 | V20-S22 PolarHBondContact O-N 3.4Å; S22-T24 PolarHBondContact O-N 2.6Å | ||
| 23 | V | 41.3 | Very low | 55.1 | Low | 124 Ų | 124 | 112 Ų | 112 | 75% | 0.752 | 66% | 0.657 | S | S | * | * | trans | -62.5 | 107.5 | 176.5 | 177.2 | 0 | 0 | 0 | 0 | 105.5 | G21 H25 | G21-V23 PolarHBondContact O-N 3.49Å; V23-H25 PolarHBondContact O-N 2.84Å; V23-H25 VanDerWaalsContact O-N 3.12Å | ||
| 24 | T | 52.1 | Low | 57.7 | Low | 116 Ų | 116 | 107.9 Ų | 107.9 | 71% | 0.712 | 61% | 0.614 | S | S | * | * | trans | -56 | 120.8 | 179.1 | 46.2 | 0 | 0 | 0 | 0 | 107.2 | S22 | S22-T24 PolarHBondContact O-N 2.6Š| ||
| 25 | H | 43.3 | Very low | 60.3 | Low | 161 Ų | 161 | 107.7 Ų | 107.7 | 75% | 0.745 | 60% | 0.599 | S | S | * | * | trans | -56.6 | 139.8 | 177.2 | -69.5 | 49.7 | 0 | 0 | 0 | 107.9 | V23 F27 | V23-H25 PolarHBondContact O-N 2.84Å; V23-H25 VanDerWaalsContact O-N 3.12Å; H25-F27 PolarHBondContact O-N 3.48Å | ||
| 26 | P | 46.6 | Very low | 62.7 | Low | 121 Ų | 121 | 103.6 Ų | 103.6 | 79% | 0.786 | 57% | 0.565 | S | S | * | * | trans | -60.9 | 105.2 | 179.1 | 24.9 | -33 | 0 | 0 | 0 | 108.4 | V28 | P26-V28 PolarHBondContact O-N 3.01Š| ||
| 27 | F | 57.7 | Low | 65 | Low | 156 Ų | 156 | 96.6 Ų | 96.6 | 68% | 0.684 | 55% | 0.551 | S | S | * | * | trans | -78.7 | 115.7 | 170.4 | 68 | -83.9 | 0 | 0 | 0 | 106.3 | H25 T29 | H25-F27 PolarHBondContact O-N 3.48Å; F27-T29 HydrophobicContact CD2-CG2 3.99Å; F27-T29 HydrophobicContact CE2-CG2 3.73Å; F27-T29 PolarHBondContact O-N 3.11Å | ||
| 28 | V | 66.6 | Low | 67.3 | Low | 130 Ų | 130 | 93.2 Ų | 93.2 | 79% | 0.788 | 52% | 0.521 | S | S | * | . | trans | -79.6 | 114.8 | 172.4 | -177.7 | 0 | 0 | 0 | 0 | 106.1 | P26 | P26-V28 PolarHBondContact O-N 3.01Š| ||
| 29 | T | 78.9 | Confident | 69.5 | Low | 36 Ų | 36 | 90 Ų | 90 | 22% | 0.221 | 51% | 0.506 | C | S | . | . | P | Polyproline II helix | trans | -66.8 | 146.9 | 168.2 | 44.7 | 0 | 0 | 0 | 0 | 108.9 | F27 D57 L59 | F27-T29 HydrophobicContact CD2-CG2 3.99Å; F27-T29 HydrophobicContact CE2-CG2 3.73Å; F27-T29 PolarHBondContact O-N 3.11Å; T29-D57 WeakPolarHBondContact CB-OD1 3.31Å; T29-D57 HydrophobicContact CG2-CB 4.37Å; T29-D57 VanDerWaalsContact OG1-CG 3.29Å; T29-D57 PolarHBondContact OG1-OD1 2.91Å; T29-L59 HydrophobicContact CG2-CD1 3.86Å; T29-L59 HydrophobicContact CG2-CG 3.99Å |
| 30 | L | 85.4 | Confident | 71.4 | Confident | 93 Ų | 93 | 81.6 Ų | 81.6 | 49% | 0.487 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 127.8 | 170.4 | -69.3 | 175.3 | 0 | 0 | 0 | 107.8 | Y32 V58 L86 | L30-Y32 HydrophobicContact CB-CD2 4.27Å; L30-Y32 HydrophobicContact CB-CE2 3.75Å; L30-Y32 WeakPolarHBondContact O-CD2 3.26Å; L30-V58 PolarHBondContact O-N 3.19Å; L30-L86 HydrophobicContact CD1-CD2 4.47Å |
| 31 | T | 90.1 | Very high | 73.6 | Confident | 43 Ų | 43 | 83.8 Ų | 83.8 | 26% | 0.264 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 128.3 | 174.6 | -44.5 | 0 | 0 | 0 | 0 | 109.8 | K55 D57 C87 | T31-K55 HydrophobicContact CG2-CB 3.83Å; T31-K55 HydrophobicContact CG2-CD 4.18Å; T31-K55 HydrophobicContact CG2-CG 4.18Å; T31-D57 PolarHBondContact OG1-OD1 3.41Å; T31-C87 HydrophobicContact CG2-CB 4.49Å; T31-C87 WeakPolarHBondContact O-CB 3.29Å; T31-C87 PolarHBondContact O-N 3.4Å; T31-C87 VanDerWaalsContact O-N 3.14Å |
| 32 | Y | 91.4 | Very high | 75.6 | Confident | 13 Ų | 13 | 81.5 Ų | 81.5 | 5% | 0.051 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 152.6 | 175.5 | -80.4 | -105.4 | 0 | 0 | 0 | 109.9 | L30 K55 L56 V58 K61 W67 L84 E85 L86 | L30-Y32 HydrophobicContact CB-CD2 4.27Å; L30-Y32 HydrophobicContact CB-CE2 3.75Å; L30-Y32 WeakPolarHBondContact O-CD2 3.26Å; Y32-K55 CarbonylContact O-C 3.59Å; Y32-K55 WeakPolarHBondContact O-CA 3.44Å; Y32-L56 PolarHBondContact N-O 2.88Å; Y32-L56 PolarHBondContact O-N 2.96Å; Y32-V58 HydrophobicContact CD2-CB 3.81Å; Y32-V58 HydrophobicContact CD2-CG2 3.22Å; Y32-V58 HydrophobicContact CE2-CB 3.98Å; Y32-V58 HydrophobicContact CE2-CG2 3.74Å; Y32-V58 HydrophobicContact CG-CG2 3.68Å; Y32-K61 WeakPolarHBondContact OH-CE 3.34Å; Y32-K61 PolarHBondContact OH-NZ 3.28Å; Y32-W67 AromaticContact CD1-CZ3 3.99Å; Y32-W67 HydrophobicContact CD1-CZ3 3.99Å; Y32-W67 HydrophobicContact CE1-CH2 4.19Å; Y32-W67 AromaticContact CE1-CZ3 3.55Å; Y32-W67 HydrophobicContact CE1-CZ3 3.55Å; Y32-W67 HydrophobicContact CE2-CZ3 4.44Å; Y32-W67 AromaticContact CZ-CZ3 3.81Å; Y32-L84 HydrophobicContact CD1-CB 3.83Å; Y32-L84 HydrophobicContact CG-CB 4.27Å; Y32-E85 CarbonylContact C-O 3.55Å; Y32-E85 WeakPolarHBondContact CA-O 3.38Å; Y32-E85 VanDerWaalsContact CB-O 3.31Å; Y32-E85 WeakPolarHBondContact CB-O 3.41Å; Y32-E85 WeakPolarHBondContact CD1-O 3.17Å; Y32-L86 HydrophobicContact CD1-CD2 4.49Å; Y32-L86 HydrophobicContact CD1-CG 4.38Å; Y32-L86 HydrophobicContact CD2-CD2 4.37Å; Y32-L86 HydrophobicContact CE1-CB 4.31Å; Y32-L86 HydrophobicContact CE1-CD2 3.8Å; Y32-L86 HydrophobicContact CE1-CG 3.59Å; Y32-L86 HydrophobicContact CE2-CD2 3.7Å; Y32-L86 HydrophobicContact CE2-CG 4.42Å; Y32-L86 VanDerWaalsContact OH-CD2 3.28Å; Y32-L86 WeakPolarHBondContact OH-CD2 3.5Å; Y32-L86 WeakPolarHBondContact OH-CG 3.25Å |
| 33 | R | 92.4 | Very high | 77.1 | Confident | 91 Ų | 91 | 79.8 Ų | 79.8 | 34% | 0.343 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 137.2 | 175.8 | -171.9 | 176.3 | 71.3 | 154.1 | -13.2 | 110.1 | V35 D53 E85 C87 | R33-V35 PolarHBondContact O-N 3.48Å; R33-D53 VanDerWaalsContact CD-OD1 3.31Å; R33-D53 WeakPolarHBondContact CD-OD1 3.19Å; R33-D53 HydrophobicContact CG-CB 4.45Å; R33-D53 IonicContact CZ-OD1 2.62Å; R33-D53 IonicContact NE-OD1 3.46Å; R33-D53 IonicContact NH1-OD1 2.68Å; R33-D53 PolarHBondContact NH1-OD1 2.7Å; R33-E85 IonicContact CZ-OE2 3.85Å; R33-E85 PolarHBondContact N-O 3.31Å; R33-E85 IonicContact NE-OE2 2.71Å; R33-E85 PolarHBondContact NE-OE2 3.01Å; R33-E85 IonicContact NH2-OE2 3.73Å; R33-E85 PolarHBondContact NH2-OE2 3.42Å; R33-E85 PolarHBondContact O-N 3.44Å; R33-C87 HydrophobicContact CB-CB 4.23Å |
| 34 | C | 91.3 | Very high | 78.8 | Confident | 0 Ų | 0 | 80.7 Ų | 80.7 | 0% | 0 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 118.5 | 175 | -65.8 | 0 | 0 | 0 | 0 | 111.1 | A36 A50 A51 A52 D53 D54 L56 Y83 | C34-A36 VanDerWaalsContact C-N 3.3Å; C34-A36 PolarHBondContact O-N 2.93Å; C34-A50 HydrophobicContact CB-CB 4.41Å; C34-A51 WeakPolarHBondContact CB-O 3.22Å; C34-A52 CarbonylContact O-C 3.46Å; C34-A52 WeakPolarHBondContact O-CA 3.31Å; C34-D53 PolarHBondContact O-N 3.11Å; C34-D54 HydrophobicContact CB-CB 4.25Å; C34-D54 PolarHBondContact N-O 2.7Å; C34-D54 PolarHBondContact SG-O 2.76Å; C34-D54 VanDerWaalsContact SG-O 3.37Å; C34-L56 WeakPolarHBondContact SG-CD1 3.48Å; C34-Y83 CarbonylContact C-O 3.55Å; C34-Y83 VanDerWaalsContact CA-O 3.31Å; C34-Y83 WeakPolarHBondContact CA-O 3.36Å |
| 35 | V | 89.2 | Confident | 80.1 | Confident | 67 Ų | 67 | 81.2 Ų | 81.2 | 41% | 0.406 | 41% | 0.414 | S | S | . | . | S | Bend | trans | -78.1 | -15 | 179.9 | -59 | 0 | 0 | 0 | 0 | 113.7 | R33 Y83 E85 P289 | R33-V35 PolarHBondContact O-N 3.48Å; V35-Y83 PolarHBondContact N-O 2.9Å; V35-E85 HydrophobicContact CG1-CB 3.51Å; V35-E85 HydrophobicContact CG1-CG 4.46Å; V35-P289 HydrophobicContact CG2-CG 4.34Å |
| 36 | A | 87.8 | Confident | 81.9 | Confident | 14 Ų | 14 | 78.5 Ų | 78.5 | 12% | 0.116 | 40% | 0.398 | C | S | . | . | S | Bend | trans | -155.3 | 151.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | C34 Y38 Y83 | C34-A36 VanDerWaalsContact C-N 3.3Å; C34-A36 PolarHBondContact O-N 2.93Å; A36-Y38 PolarHBondContact O-N 2.83Å; A36-Y83 HydrophobicContact CB-CD1 3.85Å; A36-Y83 HydrophobicContact CB-CE1 3.83Å |
| 37 | P | 91.4 | Very high | 83.8 | Confident | 96 Ų | 96 | 77 Ų | 77 | 62% | 0.623 | 39% | 0.386 | S | S | * | . | trans | -64.9 | 135.3 | 178 | 28.1 | -35.2 | 0 | 0 | 0 | 111.2 | A50 | P37-A50 CarbonylContact C-O 3.56Å; P37-A50 VanDerWaalsContact CA-O 3.26Å; P37-A50 WeakPolarHBondContact CA-O 3.11Å | ||
| 38 | Y | 89.2 | Confident | 85.2 | Confident | 43 Ų | 43 | 69.8 Ų | 69.8 | 17% | 0.169 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 136.7 | -177.9 | -173.1 | -105.4 | 0 | 0 | 0 | 112.2 | A36 T40 K49 A50 W66 F79 P80 Y83 V291 | A36-Y38 PolarHBondContact O-N 2.83Å; Y38-T40 HydrophobicContact CD1-CG2 4.27Å; Y38-T40 HydrophobicContact CE1-CG2 4.08Å; Y38-K49 WeakPolarHBondContact O-CA 3.26Å; Y38-A50 PolarHBondContact N-O 3.08Å; Y38-A50 PolarHBondContact O-N 2.92Å; Y38-W66 WeakPolarHBondContact OH-CH2 3.43Å; Y38-F79 AromaticContact CD1-CD2 3.8Å; Y38-F79 HydrophobicContact CD1-CD2 3.8Å; Y38-F79 AromaticContact CD1-CE2 3.6Å; Y38-F79 HydrophobicContact CD1-CE2 3.6Å; Y38-F79 HydrophobicContact CD1-CG 4.37Å; Y38-F79 HydrophobicContact CD1-CZ 4.04Å; Y38-F79 HydrophobicContact CE1-CD2 4.46Å; Y38-F79 HydrophobicContact CG-CE2 4.18Å; Y38-F79 HydrophobicContact CG-CZ 4.25Å; Y38-P80 HydrophobicContact CD1-CG 4.05Å; Y38-P80 HydrophobicContact CD2-CG 4.21Å; Y38-P80 HydrophobicContact CE1-CG 3.74Å; Y38-P80 HydrophobicContact CE2-CG 3.94Å; Y38-P80 HydrophobicContact CG-CG 4.27Å; Y38-Y83 HydrophobicContact CD2-CD1 4.26Å; Y38-Y83 HydrophobicContact CD2-CE1 4.01Å; Y38-Y83 HydrophobicContact CG-CD1 4.33Å; Y38-Y83 HydrophobicContact CG-CE1 4.48Å; Y38-V291 HydrophobicContact CE2-CG2 4.26Å |
| 39 | E | 90.2 | Very high | 86.3 | Confident | 101 Ų | 101 | 69.8 Ų | 69.8 | 47% | 0.472 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 127.9 | 178.4 | -179.3 | 162.3 | -167.9 | 0 | 0 | 111.3 | F48 K49 | E39-F48 WeakPolarHBondContact CA-O 3.39Å; E39-K49 HydrophobicContact CB-CG 4.26Å; E39-K49 HydrophobicContact CG-CG 3.94Å; E39-K49 VanDerWaalsContact OE1-CE 3.26Å; E39-K49 WeakPolarHBondContact OE1-CE 3.5Å; E39-K49 IonicContact OE1-NZ 2.84Å; E39-K49 PolarHBondContact OE1-NZ 2.97Å; E39-K49 IonicContact OE2-NZ 2.6Å; E39-K49 PolarHBondContact OE2-NZ 2.67Å |
| 40 | T | 87.5 | Confident | 86.9 | Confident | 16 Ų | 16 | 68.3 Ų | 68.3 | 10% | 0.098 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | -167.5 | -178.8 | -173.9 | 0 | 0 | 0 | 0 | 110 | Y38 F48 A77 W78 F79 | Y38-T40 HydrophobicContact CD1-CG2 4.27Å; Y38-T40 HydrophobicContact CE1-CG2 4.08Å; T40-F48 HydrophobicContact CG2-CB 4.03Å; T40-F48 HydrophobicContact CG2-CD1 3.68Å; T40-F48 HydrophobicContact CG2-CG 4.18Å; T40-F48 PolarHBondContact N-O 2.68Å; T40-F48 PolarHBondContact O-N 3.47Å; T40-A77 HydrophobicContact CG2-CB 3.96Å; T40-W78 PolarHBondContact OG1-O 3.4Å; T40-F79 HydrophobicContact CG2-CD2 4.35Å |
| 41 | R | 86.3 | Confident | 87.1 | Confident | 173 Ų | 173 | 66.1 Ų | 66.1 | 65% | 0.653 | 33% | 0.331 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 131.1 | 177.8 | -66.6 | 177.6 | 176.7 | 171.4 | -2.9 | 110.3 | R46 | R41-R46 WeakPolarHBondContact CA-O 3.44Å |
| 42 | D | 85.3 | Confident | 87.1 | Confident | 7 Ų | 7 | 66.2 Ų | 66.2 | 4% | 0.037 | 34% | 0.336 | C | S | . | . | B | Isolated β-bridge | trans | -57.5 | 154.2 | 169.2 | 175.8 | -16.9 | 0 | 0 | 0 | 110.1 | K44 N45 R46 L76 | D42-K44 PolarHBondContact O-N 3.21Å; D42-K44 PolarHBondContact OD1-N 3.18Å; D42-N45 WeakPolarHBondContact O-CA 3.37Å; D42-N45 PolarHBondContact O-N 3.36Å; D42-R46 HydrophobicContact CB-CB 4.47Å; D42-R46 PolarHBondContact N-O 3.39Å; D42-R46 IonicContact OD2-CZ 2.68Å; D42-R46 IonicContact OD2-NH1 2.97Å; D42-R46 IonicContact OD2-NH2 3.58Å; D42-R46 PolarHBondContact OD2-NH2 2.91Å; D42-L76 CarbonylContact C-O 3.58Å; D42-L76 VanDerWaalsContact CA-O 3.23Å; D42-L76 WeakPolarHBondContact CA-O 3.41Å |
| 43 | T | 75.7 | Confident | 86.9 | Confident | 75 Ų | 75 | 70.2 Ų | 70.2 | 46% | 0.46 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -42.9 | -30.9 | 162.8 | 61.4 | 0 | 0 | 0 | 0 | 114.3 | L68 L76 | T43-L68 HydrophobicContact CG2-CD1 4.37Å; T43-L76 HydrophobicContact CG2-CB 3.85Å; T43-L76 PolarHBondContact N-O 3.15Å |
| 44 | K | 77 | Confident | 86.8 | Confident | 142 Ų | 142 | 68.8 Ų | 68.8 | 62% | 0.617 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.2 | 20.1 | 176.8 | -62.4 | 171.8 | -175.3 | 167.5 | 0 | 113.6 | D42 R46 | D42-K44 PolarHBondContact O-N 3.21Å; D42-K44 PolarHBondContact OD1-N 3.18Å; K44-R46 PolarHBondContact O-N 2.77Å |
| 45 | N | 79.2 | Confident | 86.8 | Confident | 127 Ų | 127 | 74 Ų | 74 | 68% | 0.679 | 38% | 0.38 | S | S | * | . | S | Bend | trans | 59.6 | 5.5 | 179.1 | -77.1 | 90.7 | 0 | 0 | 0 | 117.4 | D42 | D42-N45 WeakPolarHBondContact O-CA 3.37Å; D42-N45 PolarHBondContact O-N 3.36Å |
| 46 | R | 81.5 | Confident | 87 | Confident | 105 Ų | 105 | 70.9 Ų | 70.9 | 40% | 0.396 | 36% | 0.361 | S | S | . | . | trans | -72.7 | 155 | 171.1 | -66.7 | -169.8 | -55 | -63.8 | -9 | 110.9 | R41 D42 K44 F48 | R41-R46 WeakPolarHBondContact CA-O 3.44Å; D42-R46 HydrophobicContact CB-CB 4.47Å; D42-R46 PolarHBondContact N-O 3.39Å; D42-R46 IonicContact OD2-CZ 2.68Å; D42-R46 IonicContact OD2-NH1 2.97Å; D42-R46 IonicContact OD2-NH2 3.58Å; D42-R46 PolarHBondContact OD2-NH2 2.91Å; K44-R46 PolarHBondContact O-N 2.77Å; R46-F48 PolarHBondContact O-N 3.01Å | ||
| 47 | T | 85.9 | Confident | 87.1 | Confident | 88 Ų | 88 | 71.7 Ų | 71.7 | 54% | 0.54 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.1 | 128.1 | 168.5 | 38.9 | 0 | 0 | 0 | 0 | 109.8 | ||
| 48 | F | 87.7 | Confident | 87.1 | Confident | 5 Ų | 5 | 67.7 Ų | 67.7 | 2% | 0.022 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 121.1 | 171.8 | -179.1 | -77.9 | 0 | 0 | 0 | 106.4 | E39 T40 R46 A50 L56 V69 R75 A77 F79 | E39-F48 WeakPolarHBondContact CA-O 3.39Å; T40-F48 HydrophobicContact CG2-CB 4.03Å; T40-F48 HydrophobicContact CG2-CD1 3.68Å; T40-F48 HydrophobicContact CG2-CG 4.18Å; T40-F48 PolarHBondContact N-O 2.68Å; T40-F48 PolarHBondContact O-N 3.47Å; R46-F48 PolarHBondContact O-N 3.01Å; F48-A50 HydrophobicContact CE1-CB 4.31Å; F48-L56 HydrophobicContact CE1-CD1 4.28Å; F48-L56 HydrophobicContact CZ-CD1 4.21Å; F48-L56 HydrophobicContact CZ-CD2 3.92Å; F48-V69 HydrophobicContact CZ-CG2 4.21Å; F48-R75 HydrophobicContact CD2-CB 4.08Å; F48-R75 HydrophobicContact CE2-CB 4.14Å; F48-A77 HydrophobicContact CB-CB 3.99Å; F48-A77 HydrophobicContact CD1-CB 3.75Å; F48-A77 HydrophobicContact CD2-CB 3.5Å; F48-A77 HydrophobicContact CE1-CB 4.03Å; F48-A77 HydrophobicContact CE2-CB 3.79Å; F48-A77 HydrophobicContact CG-CB 3.47Å; F48-A77 VanDerWaalsContact CG-CB 3.47Å; F48-A77 HydrophobicContact CZ-CB 4.05Å; F48-F79 HydrophobicContact CD1-CD2 4.48Å; F48-F79 AromaticContact CE1-CD2 3.94Å; F48-F79 HydrophobicContact CE1-CD2 3.94Å; F48-F79 HydrophobicContact CE1-CE2 4.13Å |
| 49 | K | 89.7 | Confident | 87.1 | Confident | 131 Ų | 131 | 68.4 Ų | 68.4 | 57% | 0.57 | 34% | 0.343 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120 | 129.7 | 176.9 | -62.6 | 174.8 | -170.6 | -92.9 | 0 | 106.3 | Y38 E39 | Y38-K49 WeakPolarHBondContact O-CA 3.26Å; E39-K49 HydrophobicContact CB-CG 4.26Å; E39-K49 HydrophobicContact CG-CG 3.94Å; E39-K49 VanDerWaalsContact OE1-CE 3.26Å; E39-K49 WeakPolarHBondContact OE1-CE 3.5Å; E39-K49 IonicContact OE1-NZ 2.84Å; E39-K49 PolarHBondContact OE1-NZ 2.97Å; E39-K49 IonicContact OE2-NZ 2.6Å; E39-K49 PolarHBondContact OE2-NZ 2.67Å |
| 50 | A | 90 | Very high | 87 | Confident | 5 Ų | 5 | 67.7 Ų | 67.7 | 4% | 0.041 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 136 | 161.2 | 0 | 0 | 0 | 0 | 0 | 108 | C34 P37 Y38 F48 D54 L56 F79 | C34-A50 HydrophobicContact CB-CB 4.41Å; P37-A50 CarbonylContact C-O 3.56Å; P37-A50 VanDerWaalsContact CA-O 3.26Å; P37-A50 WeakPolarHBondContact CA-O 3.11Å; Y38-A50 PolarHBondContact N-O 3.08Å; Y38-A50 PolarHBondContact O-N 2.92Å; F48-A50 HydrophobicContact CE1-CB 4.31Å; A50-D54 WeakPolarHBondContact CA-OD2 3.24Å; A50-D54 HydrophobicContact CB-CB 4.22Å; A50-L56 HydrophobicContact CB-CD1 4.12Å; A50-F79 HydrophobicContact CB-CE2 3.58Å; A50-F79 HydrophobicContact CB-CZ 3.83Å |
| 51 | A | 90.4 | Very high | 87 | Confident | 47 Ų | 47 | 71.7 Ų | 71.7 | 39% | 0.388 | 36% | 0.358 | S | S | . | . | trans | -77.4 | 176.2 | 166.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | C34 D54 | C34-A51 WeakPolarHBondContact CB-O 3.22Å; A51-D54 VanDerWaalsContact N-CG 3.34Å; A51-D54 PolarHBondContact N-OD2 3.46Å | ||
| 52 | A | 89.6 | Confident | 86.7 | Confident | 44 Ų | 44 | 66.5 Ų | 66.5 | 36% | 0.364 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | 149 | 160.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | C34 D54 | C34-A52 CarbonylContact O-C 3.46Å; C34-A52 WeakPolarHBondContact O-CA 3.31Å; A52-D54 PolarHBondContact O-N 3.01Å |
| 53 | D | 86.9 | Confident | 86.3 | Confident | 97 Ų | 97 | 72.6 Ų | 72.6 | 52% | 0.519 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.6 | 0.3 | -175.9 | -62.5 | -83.3 | 0 | 0 | 0 | 116.5 | R33 C34 K55 | R33-D53 VanDerWaalsContact CD-OD1 3.31Å; R33-D53 WeakPolarHBondContact CD-OD1 3.19Å; R33-D53 HydrophobicContact CG-CB 4.45Å; R33-D53 IonicContact CZ-OD1 2.62Å; R33-D53 IonicContact NE-OD1 3.46Å; R33-D53 IonicContact NH1-OD1 2.68Å; R33-D53 PolarHBondContact NH1-OD1 2.7Å; C34-D53 PolarHBondContact O-N 3.11Å; D53-K55 PolarHBondContact O-N 2.99Å |
| 54 | D | 91.6 | Very high | 86.5 | Confident | 61 Ų | 61 | 72.1 Ų | 72.1 | 33% | 0.326 | 39% | 0.387 | S | S | . | . | trans | -60.3 | 128.3 | 173.8 | -86 | 6 | 0 | 0 | 0 | 112 | C34 A50 A51 A52 | C34-D54 HydrophobicContact CB-CB 4.25Å; C34-D54 PolarHBondContact N-O 2.7Å; C34-D54 PolarHBondContact SG-O 2.76Å; C34-D54 VanDerWaalsContact SG-O 3.37Å; A50-D54 WeakPolarHBondContact CA-OD2 3.24Å; A50-D54 HydrophobicContact CB-CB 4.22Å; A51-D54 VanDerWaalsContact N-CG 3.34Å; A51-D54 PolarHBondContact N-OD2 3.46Å; A52-D54 PolarHBondContact O-N 3.01Å | ||
| 55 | K | 91.4 | Very high | 86.9 | Confident | 109 Ų | 109 | 66 Ų | 66 | 47% | 0.474 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 124.5 | 174.8 | -70.7 | -171 | 177.6 | -171.9 | 0 | 111.3 | T31 Y32 D53 E89 | T31-K55 HydrophobicContact CG2-CB 3.83Å; T31-K55 HydrophobicContact CG2-CD 4.18Å; T31-K55 HydrophobicContact CG2-CG 4.18Å; Y32-K55 CarbonylContact O-C 3.59Å; Y32-K55 WeakPolarHBondContact O-CA 3.44Å; D53-K55 PolarHBondContact O-N 2.99Å; K55-E89 IonicContact NZ-OE1 3.35Å; K55-E89 PolarHBondContact NZ-OE1 3.46Å |
| 56 | L | 91.8 | Very high | 87.4 | Confident | 2 Ų | 2 | 61.3 Ų | 61.3 | 1% | 0.01 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 125.5 | -178.2 | -62.6 | -174.9 | 0 | 0 | 0 | 111 | Y32 C34 F48 A50 V69 E70 F79 L84 | Y32-L56 PolarHBondContact N-O 2.88Å; Y32-L56 PolarHBondContact O-N 2.96Å; C34-L56 WeakPolarHBondContact SG-CD1 3.48Å; F48-L56 HydrophobicContact CE1-CD1 4.28Å; F48-L56 HydrophobicContact CZ-CD1 4.21Å; F48-L56 HydrophobicContact CZ-CD2 3.92Å; A50-L56 HydrophobicContact CB-CD1 4.12Å; L56-V69 HydrophobicContact CB-CB 4.14Å; L56-V69 HydrophobicContact CB-CG1 4.35Å; L56-V69 HydrophobicContact CD1-CB 4.38Å; L56-V69 HydrophobicContact CD1-CG2 3.98Å; L56-E70 WeakPolarHBondContact CA-O 3.49Å; L56-F79 HydrophobicContact CD1-CD2 4.18Å; L56-F79 HydrophobicContact CD1-CE2 4.07Å; L56-F79 HydrophobicContact CD1-CG 4.49Å; L56-F79 HydrophobicContact CD1-CZ 4.25Å; L56-L84 HydrophobicContact CD1-CD2 4.14Å |
| 57 | D | 91.3 | Very high | 87.9 | Confident | 32 Ų | 32 | 58.4 Ų | 58.4 | 17% | 0.171 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 123.8 | 176 | -86.6 | -52.1 | 0 | 0 | 0 | 111 | T29 T31 L59 V69 E70 | T29-D57 WeakPolarHBondContact CB-OD1 3.31Å; T29-D57 HydrophobicContact CG2-CB 4.37Å; T29-D57 VanDerWaalsContact OG1-CG 3.29Å; T29-D57 PolarHBondContact OG1-OD1 2.91Å; T31-D57 PolarHBondContact OG1-OD1 3.41Å; D57-L59 HydrophobicContact CB-CD1 4.08Å; D57-L59 VanDerWaalsContact O-CD1 3.25Å; D57-L59 WeakPolarHBondContact O-CD1 3.38Å; D57-V69 CarbonylContact O-C 3.56Å; D57-V69 WeakPolarHBondContact O-CA 3.29Å; D57-E70 HydrophobicContact CB-CB 4.17Å; D57-E70 PolarHBondContact N-O 3.37Å; D57-E70 PolarHBondContact O-N 3.04Å |
| 58 | V | 91.2 | Very high | 88.2 | Confident | 11 Ų | 11 | 55.2 Ų | 55.2 | 7% | 0.067 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 114.3 | 176.3 | 174.9 | 0 | 0 | 0 | 0 | 110.8 | L30 Y32 K61 W67 V69 L84 | L30-V58 PolarHBondContact O-N 3.19Å; Y32-V58 HydrophobicContact CD2-CB 3.81Å; Y32-V58 HydrophobicContact CD2-CG2 3.22Å; Y32-V58 HydrophobicContact CE2-CB 3.98Å; Y32-V58 HydrophobicContact CE2-CG2 3.74Å; Y32-V58 HydrophobicContact CG-CG2 3.68Å; V58-K61 HydrophobicContact CG1-CD 4.38Å; V58-K61 HydrophobicContact CG1-CG 3.59Å; V58-W67 HydrophobicContact CG1-CB 4.24Å; V58-W67 HydrophobicContact CG1-CD2 4.33Å; V58-W67 HydrophobicContact CG1-CE3 4Å; V58-W67 HydrophobicContact CG1-CG 4.48Å; V58-W67 HydrophobicContact CG2-CE3 3.82Å; V58-W67 HydrophobicContact CG2-CZ3 4.43Å; V58-V69 HydrophobicContact CG2-CG1 3.86Å; V58-L84 HydrophobicContact CG2-CD1 4.15Å |
| 59 | L | 88.3 | Confident | 88.4 | Confident | 58 Ų | 58 | 55 Ų | 55 | 30% | 0.304 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | -37.5 | 179.5 | -78.2 | 68.5 | 0 | 0 | 0 | 112.5 | T29 D57 L68 E70 L76 | T29-L59 HydrophobicContact CG2-CD1 3.86Å; T29-L59 HydrophobicContact CG2-CG 3.99Å; D57-L59 HydrophobicContact CB-CD1 4.08Å; D57-L59 VanDerWaalsContact O-CD1 3.25Å; D57-L59 WeakPolarHBondContact O-CD1 3.38Å; L59-L68 PolarHBondContact N-O 2.62Å; L59-E70 HydrophobicContact CD1-CB 3.55Å; L59-L76 HydrophobicContact CD2-CD2 3.94Å |
| 60 | I | 88.1 | Confident | 88.5 | Confident | 86 Ų | 86 | 50.8 Ų | 50.8 | 44% | 0.441 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 126 | -179.2 | -52.8 | 179.4 | 0 | 0 | 0 | 109.9 | W67 L68 W78 | I60-W67 CarbonylContact O-C 3.52Å; I60-W67 WeakPolarHBondContact O-CA 3.38Å; I60-W67 WeakPolarHBondContact O-CB 3.46Å; I60-L68 HydrophobicContact CB-CB 3.84Å; I60-L68 HydrophobicContact CD1-CB 4.33Å; I60-L68 HydrophobicContact CD1-CD2 3.73Å; I60-L68 HydrophobicContact CG1-CB 4.12Å; I60-L68 HydrophobicContact CG1-CD2 4.09Å; I60-L68 PolarHBondContact N-O 3.48Å; I60-L68 PolarHBondContact O-N 3.43Å; I60-W78 HydrophobicContact CB-CH2 4.5Å; I60-W78 HydrophobicContact CG2-CH2 4.37Å |
| 61 | K | 87.3 | Confident | 88.5 | Confident | 100 Ų | 100 | 51.6 Ų | 51.6 | 44% | 0.435 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 95.4 | 173.1 | -66.3 | -178.3 | 175.1 | 175 | 0 | 110.5 | Y32 V58 W67 | Y32-K61 WeakPolarHBondContact OH-CE 3.34Å; Y32-K61 PolarHBondContact OH-NZ 3.28Å; V58-K61 HydrophobicContact CG1-CD 4.38Å; V58-K61 HydrophobicContact CG1-CG 3.59Å; K61-W67 VanDerWaalsContact CA-CD1 3.49Å; K61-W67 HydrophobicContact CB-CD2 4.38Å; K61-W67 HydrophobicContact CB-CG 4.42Å; K61-W67 HydrophobicContact CD-CH2 4.32Å; K61-W67 HydrophobicContact CD-CZ2 4.13Å; K61-W67 HydrophobicContact CG-CD2 3.88Å; K61-W67 HydrophobicContact CG-CE3 4.3Å; K61-W67 HydrophobicContact CG-CG 4.22Å; K61-W67 HydrophobicContact CG-CZ2 4.18Å |
| 62 | D | 80.5 | Confident | 88.4 | Confident | 64 Ų | 64 | 58 Ų | 58 | 34% | 0.342 | 32% | 0.315 | S | S | . | . | trans | -74.6 | 134.5 | 172.6 | -162.3 | -75.2 | 0 | 0 | 0 | 110.8 | A64 G65 W66 W67 W78 | D62-A64 PolarHBondContact O-N 2.96Å; D62-A64 WeakPolarHBondContact OD1-CB 3.5Å; D62-A64 PolarHBondContact OD1-N 2.84Å; D62-G65 PolarHBondContact O-N 2.83Å; D62-W66 WeakPolarHBondContact CB-O 3.36Å; D62-W67 PolarHBondContact O-NE1 3.04Å; D62-W78 HydrophobicContact CB-CZ3 4.34Å | ||
| 63 | P | 77.8 | Confident | 88.3 | Confident | 135 Ų | 135 | 60.6 Ų | 60.6 | 88% | 0.877 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -15.1 | 177.3 | 27.5 | -36.1 | 0 | 0 | 0 | 114 | G65 | P63-G65 PolarHBondContact O-N 2.79Š|
| 64 | A | 78.8 | Confident | 88.3 | Confident | 65 Ų | 65 | 62 Ų | 62 | 54% | 0.537 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.5 | 2.7 | 170.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | D62 | D62-A64 PolarHBondContact O-N 2.96Å; D62-A64 WeakPolarHBondContact OD1-CB 3.5Å; D62-A64 PolarHBondContact OD1-N 2.84Å |
| 65 | G | 86.3 | Confident | 88.1 | Confident | 15 Ų | 15 | 63.3 Ų | 63.3 | 16% | 0.155 | 32% | 0.324 | C | S | . | . | S | Bend | trans | 81.4 | 18.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | D62 P63 A81 | D62-G65 PolarHBondContact O-N 2.83Å; P63-G65 PolarHBondContact O-N 2.79Å; G65-A81 WeakPolarHBondContact O-CB 3.1Å; G65-A81 PolarHBondContact O-N 3.28Å |
| 66 | W | 89.4 | Confident | 88.1 | Confident | 28 Ų | 28 | 60.5 Ų | 60.5 | 11% | 0.106 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 114.4 | 171.7 | -72.2 | 84.1 | 0 | 0 | 0 | 108.8 | Y38 D62 W78 V291 P292 R294 | Y38-W66 WeakPolarHBondContact OH-CH2 3.43Å; D62-W66 WeakPolarHBondContact CB-O 3.36Å; W66-W78 HydrophobicContact CB-CE3 4.19Å; W66-W78 HydrophobicContact CE3-CB 4.27Å; W66-W78 VanDerWaalsContact O-CZ3 3.23Å; W66-W78 WeakPolarHBondContact O-CZ3 3.23Å; W66-V291 HydrophobicContact CH2-CG1 4.37Å; W66-V291 HydrophobicContact CZ2-CG1 4.21Å; W66-P292 WeakPolarHBondContact CZ2-O 3.46Å; W66-R294 HydrophobicContact CH2-CB 4.32Å; W66-R294 HydrophobicContact CZ2-CB 3.76Å; W66-R294 HydrophobicContact CZ2-CG 4.42Å |
| 67 | W | 92.5 | Very high | 88.1 | Confident | 44 Ų | 44 | 60.4 Ų | 60.4 | 17% | 0.167 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 141.4 | -176.7 | -64.6 | -3.6 | 0 | 0 | 0 | 110.5 | Y32 V58 I60 K61 D62 W78 F79 A81 L84 | Y32-W67 AromaticContact CD1-CZ3 3.99Å; Y32-W67 HydrophobicContact CD1-CZ3 3.99Å; Y32-W67 HydrophobicContact CE1-CH2 4.19Å; Y32-W67 AromaticContact CE1-CZ3 3.55Å; Y32-W67 HydrophobicContact CE1-CZ3 3.55Å; Y32-W67 HydrophobicContact CE2-CZ3 4.44Å; Y32-W67 AromaticContact CZ-CZ3 3.81Å; V58-W67 HydrophobicContact CG1-CB 4.24Å; V58-W67 HydrophobicContact CG1-CD2 4.33Å; V58-W67 HydrophobicContact CG1-CE3 4Å; V58-W67 HydrophobicContact CG1-CG 4.48Å; V58-W67 HydrophobicContact CG2-CE3 3.82Å; V58-W67 HydrophobicContact CG2-CZ3 4.43Å; I60-W67 CarbonylContact O-C 3.52Å; I60-W67 WeakPolarHBondContact O-CA 3.38Å; I60-W67 WeakPolarHBondContact O-CB 3.46Å; K61-W67 VanDerWaalsContact CA-CD1 3.49Å; K61-W67 HydrophobicContact CB-CD2 4.38Å; K61-W67 HydrophobicContact CB-CG 4.42Å; K61-W67 HydrophobicContact CD-CH2 4.32Å; K61-W67 HydrophobicContact CD-CZ2 4.13Å; K61-W67 HydrophobicContact CG-CD2 3.88Å; K61-W67 HydrophobicContact CG-CE3 4.3Å; K61-W67 HydrophobicContact CG-CG 4.22Å; K61-W67 HydrophobicContact CG-CZ2 4.18Å; D62-W67 PolarHBondContact O-NE1 3.04Å; W67-W78 VanDerWaalsContact C-CE3 3.49Å; W67-W78 WeakPolarHBondContact O-CA 3.18Å; W67-F79 PolarHBondContact N-O 3.07Å; W67-F79 PolarHBondContact O-N 2.91Å; W67-A81 HydrophobicContact CD2-CB 3.69Å; W67-A81 VanDerWaalsContact CE2-CB 3.42Å; W67-A81 HydrophobicContact CE3-CB 4.19Å; W67-A81 HydrophobicContact CG-CB 4.09Å; W67-A81 HydrophobicContact CH2-CB 4.2Å; W67-A81 HydrophobicContact CZ2-CB 3.72Å; W67-A81 HydrophobicContact CZ3-CB 4.4Å; W67-L84 HydrophobicContact CB-CD1 4.32Å; W67-L84 HydrophobicContact CE3-CB 4.42Å; W67-L84 HydrophobicContact CE3-CD1 3.77Å; W67-L84 HydrophobicContact CZ3-CB 4.36Å; W67-L84 HydrophobicContact CZ3-CD1 4.5Å |
| 68 | L | 91.1 | Very high | 88.1 | Confident | 21 Ų | 21 | 62.9 Ų | 62.9 | 11% | 0.11 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 117.1 | 172.1 | -173.6 | 69.8 | 0 | 0 | 0 | 107.5 | T43 L59 I60 L76 A77 W78 | T43-L68 HydrophobicContact CG2-CD1 4.37Å; L59-L68 PolarHBondContact N-O 2.62Å; I60-L68 HydrophobicContact CB-CB 3.84Å; I60-L68 HydrophobicContact CD1-CB 4.33Å; I60-L68 HydrophobicContact CD1-CD2 3.73Å; I60-L68 HydrophobicContact CG1-CB 4.12Å; I60-L68 HydrophobicContact CG1-CD2 4.09Å; I60-L68 PolarHBondContact N-O 3.48Å; I60-L68 PolarHBondContact O-N 3.43Å; L68-L76 HydrophobicContact CD1-CB 4.37Å; L68-A77 WeakPolarHBondContact CA-O 3.31Å; L68-W78 HydrophobicContact CB-CD2 4.37Å; L68-W78 HydrophobicContact CB-CE3 4.08Å; L68-W78 HydrophobicContact CB-CH2 3.95Å; L68-W78 HydrophobicContact CB-CZ2 4.21Å; L68-W78 HydrophobicContact CB-CZ3 3.86Å; L68-W78 HydrophobicContact CD1-CD2 4.18Å; L68-W78 HydrophobicContact CD1-CG 4.43Å; L68-W78 HydrophobicContact CD1-CZ2 4.33Å |
| 69 | V | 92.5 | Very high | 88.1 | Confident | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 146.4 | -179.4 | -65.6 | 0 | 0 | 0 | 0 | 111.9 | F48 L56 D57 V58 L76 A77 F79 L84 | F48-V69 HydrophobicContact CZ-CG2 4.21Å; L56-V69 HydrophobicContact CB-CB 4.14Å; L56-V69 HydrophobicContact CB-CG1 4.35Å; L56-V69 HydrophobicContact CD1-CB 4.38Å; L56-V69 HydrophobicContact CD1-CG2 3.98Å; D57-V69 CarbonylContact O-C 3.56Å; D57-V69 WeakPolarHBondContact O-CA 3.29Å; V58-V69 HydrophobicContact CG2-CG1 3.86Å; V69-L76 VanDerWaalsContact O-CA 3.29Å; V69-L76 WeakPolarHBondContact O-CA 3.43Å; V69-A77 WeakPolarHBondContact CG2-O 3.24Å; V69-A77 PolarHBondContact N-O 2.83Å; V69-A77 PolarHBondContact O-N 3.12Å; V69-F79 HydrophobicContact CG1-CB 4.23Å; V69-F79 HydrophobicContact CG2-CB 3.6Å; V69-F79 HydrophobicContact CG2-CD2 4.39Å; V69-F79 HydrophobicContact CG2-CG 4.2Å; V69-L84 HydrophobicContact CG1-CD1 3.74Å |
| 70 | E | 91.9 | Very high | 88.3 | Confident | 42 Ų | 42 | 59.6 Ų | 59.6 | 20% | 0.196 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 126.3 | 165.5 | -176.2 | 165.7 | -104.8 | 0 | 0 | 109.6 | L56 D57 L59 K74 R75 L76 | L56-E70 WeakPolarHBondContact CA-O 3.49Å; D57-E70 HydrophobicContact CB-CB 4.17Å; D57-E70 PolarHBondContact N-O 3.37Å; D57-E70 PolarHBondContact O-N 3.04Å; L59-E70 HydrophobicContact CD1-CB 3.55Å; E70-K74 HydrophobicContact CG-CD 3.93Å; E70-K74 WeakPolarHBondContact OE2-CD 3.4Å; E70-K74 WeakPolarHBondContact OE2-CE 3.45Å; E70-K74 IonicContact OE2-NZ 2.67Å; E70-K74 PolarHBondContact OE2-NZ 3.06Å; E70-R75 WeakPolarHBondContact CA-O 3.23Å; E70-L76 HydrophobicContact CB-CD2 3.62Å; E70-L76 HydrophobicContact CG-CD2 4.01Å |
| 71 | S | 90.9 | Very high | 88.3 | Confident | 23 Ų | 23 | 56.3 Ų | 56.3 | 16% | 0.161 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 158 | 167.9 | 170.2 | 0 | 0 | 0 | 0 | 110.5 | D73 K74 R75 | S71-D73 PolarHBondContact O-N 3Å; S71-D73 PolarHBondContact OG-N 2.94Å; S71-K74 WeakPolarHBondContact O-CA 3.45Å; S71-K74 PolarHBondContact O-N 3.23Å; S71-R75 PolarHBondContact N-O 2.81Å |
| 72 | E | 87.9 | Confident | 88.4 | Confident | 182 Ų | 182 | 54.2 Ų | 54.2 | 85% | 0.85 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -42.7 | -39.1 | 169 | -175.3 | 177.6 | -162.4 | 0 | 0 | 112.4 | K74 | E72-K74 PolarHBondContact O-N 3.37Š|
| 73 | D | 87 | Confident | 88.8 | Confident | 97 Ų | 97 | 52.3 Ų | 52.3 | 52% | 0.519 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | 3.8 | 175.4 | -121.3 | 13.1 | 0 | 0 | 0 | 115.1 | S71 R75 | S71-D73 PolarHBondContact O-N 3Å; S71-D73 PolarHBondContact OG-N 2.94Å; D73-R75 HydrophobicContact CB-CG 4.1Å; D73-R75 PolarHBondContact O-N 3.07Å; D73-R75 IonicContact OD2-CZ 3.61Å; D73-R75 IonicContact OD2-NE 2.83Å; D73-R75 PolarHBondContact OD2-NE 3.14Å; D73-R75 IonicContact OD2-NH1 2.7Å; D73-R75 IonicContact OD2-NH2 3.45Å; D73-R75 PolarHBondContact OD2-NH2 3.09Å |
| 74 | K | 86.4 | Confident | 89.4 | Confident | 127 Ų | 127 | 46.5 Ų | 46.5 | 55% | 0.552 | 24% | 0.235 | S | C | * | . | S | Bend | trans | 49.9 | 39.4 | -172 | -57.7 | -56.5 | -179 | -170 | 0 | 113.3 | E70 S71 E72 | E70-K74 HydrophobicContact CG-CD 3.93Å; E70-K74 WeakPolarHBondContact OE2-CD 3.4Å; E70-K74 WeakPolarHBondContact OE2-CE 3.45Å; E70-K74 IonicContact OE2-NZ 2.67Å; E70-K74 PolarHBondContact OE2-NZ 3.06Å; S71-K74 WeakPolarHBondContact O-CA 3.45Å; S71-K74 PolarHBondContact O-N 3.23Å; E72-K74 PolarHBondContact O-N 3.37Å |
| 75 | R | 87.2 | Confident | 89.8 | Confident | 89 Ų | 89 | 47.7 Ų | 47.7 | 34% | 0.336 | 23% | 0.229 | S | C | . | . | trans | -103.6 | 132 | 174.9 | -66.8 | 177.2 | -166.3 | 179 | 16.9 | 109.9 | F48 E70 S71 D73 | F48-R75 HydrophobicContact CD2-CB 4.08Å; F48-R75 HydrophobicContact CE2-CB 4.14Å; E70-R75 WeakPolarHBondContact CA-O 3.23Å; S71-R75 PolarHBondContact N-O 2.81Å; D73-R75 HydrophobicContact CB-CG 4.1Å; D73-R75 PolarHBondContact O-N 3.07Å; D73-R75 IonicContact OD2-CZ 3.61Å; D73-R75 IonicContact OD2-NE 2.83Å; D73-R75 PolarHBondContact OD2-NE 3.14Å; D73-R75 IonicContact OD2-NH1 2.7Å; D73-R75 IonicContact OD2-NH2 3.45Å; D73-R75 PolarHBondContact OD2-NH2 3.09Å | ||
| 76 | L | 90.9 | Very high | 89.9 | Confident | 49 Ų | 49 | 50.6 Ų | 50.6 | 26% | 0.257 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 126.3 | -178.8 | -62 | 178.8 | 0 | 0 | 0 | 110.8 | D42 T43 L59 L68 V69 E70 | D42-L76 CarbonylContact C-O 3.58Å; D42-L76 VanDerWaalsContact CA-O 3.23Å; D42-L76 WeakPolarHBondContact CA-O 3.41Å; T43-L76 HydrophobicContact CG2-CB 3.85Å; T43-L76 PolarHBondContact N-O 3.15Å; L59-L76 HydrophobicContact CD2-CD2 3.94Å; L68-L76 HydrophobicContact CD1-CB 4.37Å; V69-L76 VanDerWaalsContact O-CA 3.29Å; V69-L76 WeakPolarHBondContact O-CA 3.43Å; E70-L76 HydrophobicContact CB-CD2 3.62Å; E70-L76 HydrophobicContact CG-CD2 4.01Å |
| 77 | A | 91.9 | Very high | 89 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 154.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | T40 F48 L68 V69 | T40-A77 HydrophobicContact CG2-CB 3.96Å; F48-A77 HydrophobicContact CB-CB 3.99Å; F48-A77 HydrophobicContact CD1-CB 3.75Å; F48-A77 HydrophobicContact CD2-CB 3.5Å; F48-A77 HydrophobicContact CE1-CB 4.03Å; F48-A77 HydrophobicContact CE2-CB 3.79Å; F48-A77 HydrophobicContact CG-CB 3.47Å; F48-A77 VanDerWaalsContact CG-CB 3.47Å; F48-A77 HydrophobicContact CZ-CB 4.05Å; L68-A77 WeakPolarHBondContact CA-O 3.31Å; V69-A77 WeakPolarHBondContact CG2-O 3.24Å; V69-A77 PolarHBondContact N-O 2.83Å; V69-A77 PolarHBondContact O-N 3.12Å |
| 78 | W | 91.6 | Very high | 87.3 | Confident | 85 Ų | 85 | 53.7 Ų | 53.7 | 32% | 0.322 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 121.1 | 167.1 | -72.4 | 100.7 | 0 | 0 | 0 | 109.1 | T40 I60 D62 W66 W67 L68 | T40-W78 PolarHBondContact OG1-O 3.4Å; I60-W78 HydrophobicContact CB-CH2 4.5Å; I60-W78 HydrophobicContact CG2-CH2 4.37Å; D62-W78 HydrophobicContact CB-CZ3 4.34Å; W66-W78 HydrophobicContact CB-CE3 4.19Å; W66-W78 HydrophobicContact CE3-CB 4.27Å; W66-W78 VanDerWaalsContact O-CZ3 3.23Å; W66-W78 WeakPolarHBondContact O-CZ3 3.23Å; W67-W78 VanDerWaalsContact C-CE3 3.49Å; W67-W78 WeakPolarHBondContact O-CA 3.18Å; L68-W78 HydrophobicContact CB-CD2 4.37Å; L68-W78 HydrophobicContact CB-CE3 4.08Å; L68-W78 HydrophobicContact CB-CH2 3.95Å; L68-W78 HydrophobicContact CB-CZ2 4.21Å; L68-W78 HydrophobicContact CB-CZ3 3.86Å; L68-W78 HydrophobicContact CD1-CD2 4.18Å; L68-W78 HydrophobicContact CD1-CG 4.43Å; L68-W78 HydrophobicContact CD1-CZ2 4.33Å |
| 79 | F | 91.6 | Very high | 85.3 | Confident | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 138.5 | -168.8 | -158.7 | -85.8 | 0 | 0 | 0 | 110.3 | Y38 T40 F48 A50 L56 W67 V69 A81 L84 | Y38-F79 AromaticContact CD1-CD2 3.8Å; Y38-F79 HydrophobicContact CD1-CD2 3.8Å; Y38-F79 AromaticContact CD1-CE2 3.6Å; Y38-F79 HydrophobicContact CD1-CE2 3.6Å; Y38-F79 HydrophobicContact CD1-CG 4.37Å; Y38-F79 HydrophobicContact CD1-CZ 4.04Å; Y38-F79 HydrophobicContact CE1-CD2 4.46Å; Y38-F79 HydrophobicContact CG-CE2 4.18Å; Y38-F79 HydrophobicContact CG-CZ 4.25Å; T40-F79 HydrophobicContact CG2-CD2 4.35Å; F48-F79 HydrophobicContact CD1-CD2 4.48Å; F48-F79 AromaticContact CE1-CD2 3.94Å; F48-F79 HydrophobicContact CE1-CD2 3.94Å; F48-F79 HydrophobicContact CE1-CE2 4.13Å; A50-F79 HydrophobicContact CB-CE2 3.58Å; A50-F79 HydrophobicContact CB-CZ 3.83Å; L56-F79 HydrophobicContact CD1-CD2 4.18Å; L56-F79 HydrophobicContact CD1-CE2 4.07Å; L56-F79 HydrophobicContact CD1-CG 4.49Å; L56-F79 HydrophobicContact CD1-CZ 4.25Å; W67-F79 PolarHBondContact N-O 3.07Å; W67-F79 PolarHBondContact O-N 2.91Å; V69-F79 HydrophobicContact CG1-CB 4.23Å; V69-F79 HydrophobicContact CG2-CB 3.6Å; V69-F79 HydrophobicContact CG2-CD2 4.39Å; V69-F79 HydrophobicContact CG2-CG 4.2Å; F79-A81 PolarHBondContact O-N 2.76Å; F79-L84 HydrophobicContact CB-CD1 4.46Å; F79-L84 HydrophobicContact CD1-CD1 3.79Å; F79-L84 HydrophobicContact CD1-CD2 3.58Å; F79-L84 HydrophobicContact CD1-CG 3.55Å; F79-L84 HydrophobicContact CE1-CD2 3.53Å; F79-L84 HydrophobicContact CE1-CG 3.81Å; F79-L84 HydrophobicContact CZ-CD2 4.46Å |
| 80 | P | 91.6 | Very high | 83.1 | Confident | 0 Ų | 0 | 67.6 Ų | 67.6 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 125.8 | -176.1 | 27.4 | -34.2 | 0 | 0 | 0 | 111.2 | Y38 P82 Y83 V291 | Y38-P80 HydrophobicContact CD1-CG 4.05Å; Y38-P80 HydrophobicContact CD2-CG 4.21Å; Y38-P80 HydrophobicContact CE1-CG 3.74Å; Y38-P80 HydrophobicContact CE2-CG 3.94Å; Y38-P80 HydrophobicContact CG-CG 4.27Å; P80-P82 VanDerWaalsContact C-N 3.33Å; P80-Y83 HydrophobicContact CB-CD2 4.16Å; P80-Y83 HydrophobicContact CG-CD2 3.68Å; P80-Y83 HydrophobicContact CG-CE2 4.33Å; P80-Y83 HydrophobicContact CG-CG 3.99Å; P80-Y83 WeakPolarHBondContact O-CB 3.45Å; P80-Y83 PolarHBondContact O-N 2.81Å; P80-V291 HydrophobicContact CB-CG1 4.24Å |
| 81 | A | 88.9 | Confident | 80.9 | Confident | 17 Ų | 17 | 74.4 Ų | 74.4 | 14% | 0.14 | 36% | 0.361 | C | S | . | . | G | 310 helix | trans | -53.9 | -36.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | G65 W67 F79 Y83 L84 | G65-A81 WeakPolarHBondContact O-CB 3.1Å; G65-A81 PolarHBondContact O-N 3.28Å; W67-A81 HydrophobicContact CD2-CB 3.69Å; W67-A81 VanDerWaalsContact CE2-CB 3.42Å; W67-A81 HydrophobicContact CE3-CB 4.19Å; W67-A81 HydrophobicContact CG-CB 4.09Å; W67-A81 HydrophobicContact CH2-CB 4.2Å; W67-A81 HydrophobicContact CZ2-CB 3.72Å; W67-A81 HydrophobicContact CZ3-CB 4.4Å; F79-A81 PolarHBondContact O-N 2.76Å; A81-Y83 PolarHBondContact O-N 2.87Å; A81-Y83 VanDerWaalsContact O-N 3.11Å; A81-L84 PolarHBondContact O-N 3.01Å |
| 82 | P | 90.2 | Very high | 78.6 | Confident | 55 Ų | 55 | 82.6 Ų | 82.6 | 36% | 0.357 | 40% | 0.397 | S | S | . | . | G | 310 helix | trans | -62.9 | -16.1 | 176.3 | -24.5 | 35.4 | 0 | 0 | 0 | 114.9 | P80 P289 | P80-P82 VanDerWaalsContact C-N 3.33Å; P82-P289 HydrophobicContact CB-CB 3.83Å; P82-P289 HydrophobicContact CB-CG 4.13Å; P82-P289 WeakPolarHBondContact O-CG 3.37Å |
| 83 | Y | 87.6 | Confident | 76.3 | Confident | 24 Ų | 24 | 83.2 Ų | 83.2 | 9% | 0.094 | 40% | 0.4 | C | S | . | . | G | 310 helix | trans | -91.3 | -0.5 | 176.7 | -76.3 | -116.9 | 0 | 0 | 0 | 112.4 | C34 V35 A36 Y38 P80 A81 P289 V291 | C34-Y83 CarbonylContact C-O 3.55Å; C34-Y83 VanDerWaalsContact CA-O 3.31Å; C34-Y83 WeakPolarHBondContact CA-O 3.36Å; V35-Y83 PolarHBondContact N-O 2.9Å; A36-Y83 HydrophobicContact CB-CD1 3.85Å; A36-Y83 HydrophobicContact CB-CE1 3.83Å; Y38-Y83 HydrophobicContact CD2-CD1 4.26Å; Y38-Y83 HydrophobicContact CD2-CE1 4.01Å; Y38-Y83 HydrophobicContact CG-CD1 4.33Å; Y38-Y83 HydrophobicContact CG-CE1 4.48Å; P80-Y83 HydrophobicContact CB-CD2 4.16Å; P80-Y83 HydrophobicContact CG-CD2 3.68Å; P80-Y83 HydrophobicContact CG-CE2 4.33Å; P80-Y83 HydrophobicContact CG-CG 3.99Å; P80-Y83 WeakPolarHBondContact O-CB 3.45Å; P80-Y83 PolarHBondContact O-N 2.81Å; A81-Y83 PolarHBondContact O-N 2.87Å; A81-Y83 VanDerWaalsContact O-N 3.11Å; Y83-P289 HydrophobicContact CD2-CG 3.79Å; Y83-P289 HydrophobicContact CE2-CG 3.76Å; Y83-P289 VanDerWaalsContact CE2-O 3.24Å; Y83-P289 WeakPolarHBondContact CE2-O 3.32Å; Y83-P289 HydrophobicContact CG-CG 4.29Å; Y83-P289 PolarHBondContact OH-O 3.2Å; Y83-V291 HydrophobicContact CD2-CG2 4.24Å; Y83-V291 HydrophobicContact CE2-CG2 3.3Å |
| 84 | L | 90.2 | Very high | 74.3 | Confident | 14 Ų | 14 | 88 Ų | 88 | 7% | 0.073 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 116 | -176.6 | -63.3 | 172.8 | 0 | 0 | 0 | 110.3 | Y32 L56 V58 W67 V69 F79 A81 | Y32-L84 HydrophobicContact CD1-CB 3.83Å; Y32-L84 HydrophobicContact CG-CB 4.27Å; L56-L84 HydrophobicContact CD1-CD2 4.14Å; V58-L84 HydrophobicContact CG2-CD1 4.15Å; W67-L84 HydrophobicContact CB-CD1 4.32Å; W67-L84 HydrophobicContact CE3-CB 4.42Å; W67-L84 HydrophobicContact CE3-CD1 3.77Å; W67-L84 HydrophobicContact CZ3-CB 4.36Å; W67-L84 HydrophobicContact CZ3-CD1 4.5Å; V69-L84 HydrophobicContact CG1-CD1 3.74Å; F79-L84 HydrophobicContact CB-CD1 4.46Å; F79-L84 HydrophobicContact CD1-CD1 3.79Å; F79-L84 HydrophobicContact CD1-CD2 3.58Å; F79-L84 HydrophobicContact CD1-CG 3.55Å; F79-L84 HydrophobicContact CE1-CD2 3.53Å; F79-L84 HydrophobicContact CE1-CG 3.81Å; F79-L84 HydrophobicContact CZ-CD2 4.46Å; A81-L84 PolarHBondContact O-N 3.01Å |
| 85 | E | 88.9 | Confident | 71.8 | Confident | 90 Ų | 90 | 85 Ų | 85 | 42% | 0.421 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 148.6 | 171.5 | -178.4 | 171.7 | -122.5 | 0 | 0 | 109.7 | Y32 R33 V35 C87 | Y32-E85 CarbonylContact C-O 3.55Å; Y32-E85 WeakPolarHBondContact CA-O 3.38Å; Y32-E85 VanDerWaalsContact CB-O 3.31Å; Y32-E85 WeakPolarHBondContact CB-O 3.41Å; Y32-E85 WeakPolarHBondContact CD1-O 3.17Å; R33-E85 IonicContact CZ-OE2 3.85Å; R33-E85 PolarHBondContact N-O 3.31Å; R33-E85 IonicContact NE-OE2 2.71Å; R33-E85 PolarHBondContact NE-OE2 3.01Å; R33-E85 IonicContact NH2-OE2 3.73Å; R33-E85 PolarHBondContact NH2-OE2 3.42Å; R33-E85 PolarHBondContact O-N 3.44Å; V35-E85 HydrophobicContact CG1-CB 3.51Å; V35-E85 HydrophobicContact CG1-CG 4.46Å; E85-C87 PolarHBondContact O-N 3.43Å |
| 86 | L | 86.8 | Confident | 69.6 | Low | 75 Ų | 75 | 84.7 Ų | 84.7 | 39% | 0.393 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.3 | 126.6 | 174.3 | -91.7 | 165.2 | 0 | 0 | 0 | 109 | L30 Y32 D88 | L30-L86 HydrophobicContact CD1-CD2 4.47Å; Y32-L86 HydrophobicContact CD1-CD2 4.49Å; Y32-L86 HydrophobicContact CD1-CG 4.38Å; Y32-L86 HydrophobicContact CD2-CD2 4.37Å; Y32-L86 HydrophobicContact CE1-CB 4.31Å; Y32-L86 HydrophobicContact CE1-CD2 3.8Å; Y32-L86 HydrophobicContact CE1-CG 3.59Å; Y32-L86 HydrophobicContact CE2-CD2 3.7Å; Y32-L86 HydrophobicContact CE2-CG 4.42Å; Y32-L86 VanDerWaalsContact OH-CD2 3.28Å; Y32-L86 WeakPolarHBondContact OH-CD2 3.5Å; Y32-L86 WeakPolarHBondContact OH-CG 3.25Å; L86-D88 PolarHBondContact O-N 3.15Å; L86-D88 VanDerWaalsContact O-N 3.07Å |
| 87 | C | 72.3 | Confident | 67.1 | Low | 28 Ų | 28 | 88.6 Ų | 88.6 | 19% | 0.189 | 46% | 0.463 | C | S | . | . | trans | -84.4 | 78 | 169.1 | -150 | 0 | 0 | 0 | 0 | 106.7 | T31 R33 E85 E89 | T31-C87 HydrophobicContact CG2-CB 4.49Å; T31-C87 WeakPolarHBondContact O-CB 3.29Å; T31-C87 PolarHBondContact O-N 3.4Å; T31-C87 VanDerWaalsContact O-N 3.14Å; R33-C87 HydrophobicContact CB-CB 4.23Å; E85-C87 PolarHBondContact O-N 3.43Å; C87-E89 VanDerWaalsContact C-N 3.33Å; C87-E89 PolarHBondContact O-N 2.85Å | ||
| 88 | D | 56.3 | Low | 64.6 | Low | 110 Ų | 110 | 96.8 Ų | 96.8 | 59% | 0.588 | 51% | 0.506 | S | S | * | . | trans | -67.1 | 93.5 | 176.8 | -70.6 | -24.7 | 0 | 0 | 0 | 108.3 | L86 E90 | L86-D88 PolarHBondContact O-N 3.15Å; L86-D88 VanDerWaalsContact O-N 3.07Å; D88-E90 PolarHBondContact O-N 2.91Å | ||
| 89 | E | 49.2 | Very low | 62.5 | Low | 137 Ų | 137 | 96 Ų | 96 | 64% | 0.64 | 52% | 0.524 | S | S | * | . | trans | -74.1 | 51.8 | 168.9 | -65.6 | -177 | 163 | 0 | 0 | 110 | K55 C87 | K55-E89 IonicContact NZ-OE1 3.35Å; K55-E89 PolarHBondContact NZ-OE1 3.46Å; C87-E89 VanDerWaalsContact C-N 3.33Å; C87-E89 PolarHBondContact O-N 2.85Å | ||
| 90 | E | 45.9 | Very low | 61 | Low | 176 Ų | 176 | 96.7 Ų | 96.7 | 82% | 0.822 | 53% | 0.532 | S | S | * | . | trans | -116.4 | 24.3 | 174.7 | -63.9 | -166.8 | -175.5 | 0 | 0 | 111.7 | D88 | D88-E90 PolarHBondContact O-N 2.91Š| ||
| 91 | E | 45.1 | Very low | 60.7 | Low | 184 Ų | 184 | 99.5 Ų | 99.5 | 86% | 0.86 | 55% | 0.551 | S | S | * | * | trans | -122 | 113.1 | 159.2 | -63.1 | -175.4 | 158.3 | 0 | 0 | 105.3 | ||||
| 92 | E | 42.5 | Very low | 60.7 | Low | 196 Ų | 196 | 102.9 Ų | 102.9 | 92% | 0.916 | 57% | 0.567 | S | S | * | * | -158.6 | 106.7 | 57.1 | -176.7 | 174.2 | -134.5 | 0 | 0 | 112.4 | |||||
| 93 | E | 41.1 | Very low | 60.8 | Low | 195 Ų | 195 | 101.4 Ų | 101.4 | 91% | 0.911 | 55% | 0.554 | S | S | * | * | S | Bend | trans | -137.1 | 81.7 | 148.1 | -167.5 | 175.9 | -162.3 | 0 | 0 | 108.9 | G95 | E93-G95 PolarHBondContact O-N 3.14Š|
| 94 | E | 44.6 | Very low | 61 | Low | 197 Ų | 197 | 101.7 Ų | 101.7 | 92% | 0.921 | 56% | 0.56 | S | S | * | * | S | Bend | trans | 24.6 | 85.5 | 158 | -159.8 | 170.8 | -171.2 | 0 | 0 | 118.5 | ||
| 95 | G | 33.9 | Very low | 61.1 | Low | 64 Ų | 64 | 101 Ų | 101 | 66% | 0.66 | 56% | 0.556 | S | S | * | * | trans | 148.9 | 99.4 | 160.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | E93 F97 | E93-G95 PolarHBondContact O-N 3.14Å; G95-F97 VanDerWaalsContact C-N 3.33Å; G95-F97 PolarHBondContact O-N 2.86Å | ||
| 96 | G | 39.9 | Very low | 61.3 | Low | 83 Ų | 83 | 99.5 Ų | 99.5 | 86% | 0.856 | 55% | 0.553 | S | S | * | * | trans | -63.6 | 77.4 | -176.1 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 97 | F | 38.1 | Very low | 61.5 | Low | 130 Ų | 130 | 101.6 Ų | 101.6 | 57% | 0.57 | 56% | 0.555 | S | S | * | * | trans | -120.6 | 73.8 | 165.7 | -91.6 | -87.3 | 0 | 0 | 0 | 109.5 | G95 G99 L128 | G95-F97 VanDerWaalsContact C-N 3.33Å; G95-F97 PolarHBondContact O-N 2.86Å; F97-G99 PolarHBondContact O-N 2.81Å; F97-G99 VanDerWaalsContact O-N 3.09Å; F97-L128 HydrophobicContact CB-CD2 4.49Å; F97-L128 HydrophobicContact CD1-CB 3.91Å; F97-L128 HydrophobicContact CD1-CD1 4.42Å; F97-L128 HydrophobicContact CD1-CD2 4.02Å; F97-L128 HydrophobicContact CD1-CG 4.34Å; F97-L128 HydrophobicContact CE1-CB 3.89Å; F97-L128 HydrophobicContact CE1-CD1 4.43Å; F97-L128 HydrophobicContact CG-CD2 4.49Å | ||
| 98 | L | 40.6 | Very low | 62.5 | Low | 172 Ų | 172 | 104.8 Ų | 104.8 | 90% | 0.901 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.1 | 112.7 | 179.7 | -66.1 | 169.8 | 0 | 0 | 0 | 111.7 | G100 | L98-G100 PolarHBondContact O-N 2.91Š|
| 99 | G | 47.8 | Very low | 64.2 | Low | 68 Ų | 68 | 101 Ų | 101 | 70% | 0.701 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 43.8 | 68.1 | 161.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | F97 S101 | F97-G99 PolarHBondContact O-N 2.81Å; F97-G99 VanDerWaalsContact O-N 3.09Å; G99-S101 PolarHBondContact O-N 2.82Å |
| 100 | G | 60.3 | Low | 66.2 | Low | 15 Ų | 15 | 99.3 Ų | 99.3 | 16% | 0.155 | 55% | 0.551 | C | S | . | * | P | Polyproline II helix | trans | -56.1 | 128.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | L98 L102 E126 V127 | L98-G100 PolarHBondContact O-N 2.91Å; G100-L102 PolarHBondContact O-N 3.02Å; G100-E126 PolarHBondContact N-OE1 2.93Å; G100-V127 CarbonylContact C-O 3.43Å; G100-V127 WeakPolarHBondContact CA-O 3.28Å |
| 101 | S | 84.4 | Confident | 68.2 | Low | 59 Ų | 59 | 93.1 Ų | 93.1 | 41% | 0.413 | 53% | 0.526 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.8 | 129.2 | -179.6 | -69.3 | 0 | 0 | 0 | 0 | 109.5 | G99 Y103 V127 | G99-S101 PolarHBondContact O-N 2.82Å; S101-Y103 VanDerWaalsContact O-CD2 3.29Å; S101-Y103 WeakPolarHBondContact O-CD2 3.38Å; S101-V127 PolarHBondContact N-O 2.98Å; S101-V127 PolarHBondContact O-N 3.46Å |
| 102 | L | 89.8 | Confident | 70.3 | Confident | 89 Ų | 89 | 90.3 Ų | 90.3 | 47% | 0.466 | 53% | 0.526 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 132.4 | 178.2 | -63.5 | 178.5 | 0 | 0 | 0 | 111.2 | G100 V124 V125 E126 Y155 | G100-L102 PolarHBondContact O-N 3.02Å; L102-V124 HydrophobicContact CB-CG1 4.28Å; L102-V124 HydrophobicContact CD2-CG1 4.22Å; L102-V125 WeakPolarHBondContact CA-O 3.46Å; L102-E126 HydrophobicContact CD2-CB 4.16Å; L102-Y155 HydrophobicContact CB-CD1 4.17Å; L102-Y155 HydrophobicContact CB-CG 4.43Å; L102-Y155 HydrophobicContact CD1-CD1 4.19Å; L102-Y155 WeakPolarHBondContact O-CB 3.4Å; L102-Y155 PolarHBondContact O-N 3.46Å |
| 103 | Y | 91.4 | Very high | 72.5 | Confident | 24 Ų | 24 | 86.9 Ų | 86.9 | 9% | 0.094 | 51% | 0.509 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 151.6 | 174.9 | -76.5 | -107.5 | 0 | 0 | 0 | 110.3 | S101 V124 V125 V127 K130 W136 L152 Q153 P154 | S101-Y103 VanDerWaalsContact O-CD2 3.29Å; S101-Y103 WeakPolarHBondContact O-CD2 3.38Å; Y103-V124 CarbonylContact O-C 3.42Å; Y103-V124 WeakPolarHBondContact O-CA 3.2Å; Y103-V125 PolarHBondContact N-O 2.85Å; Y103-V125 PolarHBondContact O-N 3.05Å; Y103-V127 HydrophobicContact CD2-CB 4Å; Y103-V127 HydrophobicContact CD2-CG2 3.28Å; Y103-V127 HydrophobicContact CE2-CB 4.19Å; Y103-V127 HydrophobicContact CE2-CG2 3.82Å; Y103-V127 HydrophobicContact CG-CG2 3.84Å; Y103-K130 VanDerWaalsContact OH-CE 3.28Å; Y103-K130 WeakPolarHBondContact OH-CE 3.34Å; Y103-K130 PolarHBondContact OH-NZ 3.07Å; Y103-W136 HydrophobicContact CD1-CZ3 4.09Å; Y103-W136 HydrophobicContact CE1-CH2 4.15Å; Y103-W136 AromaticContact CE1-CZ3 3.6Å; Y103-W136 HydrophobicContact CE1-CZ3 3.6Å; Y103-W136 HydrophobicContact CE2-CZ3 4.17Å; Y103-W136 AromaticContact CZ-CZ3 3.66Å; Y103-L152 HydrophobicContact CD1-CB 3.85Å; Y103-L152 HydrophobicContact CG-CB 4.23Å; Y103-Q153 CarbonylContact C-O 3.46Å; Y103-Q153 VanDerWaalsContact CA-O 3.25Å; Y103-Q153 WeakPolarHBondContact CA-O 3.47Å; Y103-Q153 WeakPolarHBondContact CB-O 3.19Å; Y103-Q153 WeakPolarHBondContact CD1-O 3.45Å; Y103-P154 HydrophobicContact CD1-CG 4.25Å; Y103-P154 VanDerWaalsContact CD1-N 3.32Å; Y103-P154 HydrophobicContact CE1-CB 4.18Å; Y103-P154 HydrophobicContact CE1-CG 3.61Å |
| 104 | C | 92 | Very high | 74.7 | Confident | 30 Ų | 30 | 84 Ų | 84 | 20% | 0.203 | 50% | 0.504 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 135.1 | 172.4 | -170.9 | 0 | 0 | 0 | 0 | 109.7 | V106 C123 L152 Q153 Y155 | C104-V106 PolarHBondContact O-N 2.68Å; C104-C123 WeakPolarHBondContact CA-O 3.41Å; C104-L152 WeakPolarHBondContact O-CA 3.38Å; C104-Q153 PolarHBondContact N-O 2.81Å; C104-Q153 PolarHBondContact O-N 3Å; C104-Y155 HydrophobicContact CB-CD2 4.21Å |
| 105 | A | 93.2 | Very high | 76.8 | Confident | 0 Ų | 0 | 79.6 Ų | 79.6 | 0% | 0 | 49% | 0.487 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 111.1 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | V119 A120 I121 G122 C123 Y151 L152 | A105-V119 HydrophobicContact CB-CB 4.28Å; A105-V119 HydrophobicContact CB-CG2 3.7Å; A105-A120 VanDerWaalsContact CB-O 3.3Å; A105-A120 WeakPolarHBondContact CB-O 3.28Å; A105-I121 WeakPolarHBondContact O-CA 3.47Å; A105-G122 PolarHBondContact O-N 2.99Å; A105-C123 HydrophobicContact CB-CB 4.44Å; A105-C123 PolarHBondContact N-O 3.29Å; A105-Y151 CarbonylContact C-O 3.6Å; A105-Y151 VanDerWaalsContact CA-O 3.3Å; A105-Y151 WeakPolarHBondContact CA-O 3.47Å; A105-L152 HydrophobicContact CB-CD2 4.49Å |
| 106 | V | 92.3 | Very high | 79.6 | Confident | 58 Ų | 58 | 77.4 Ų | 77.4 | 35% | 0.352 | 46% | 0.46 | S | S | . | . | S | Bend | trans | -83.4 | -14.1 | 177.5 | -64.7 | 0 | 0 | 0 | 0 | 113.1 | C104 Y151 Q153 | C104-V106 PolarHBondContact O-N 2.68Å; V106-Y151 WeakPolarHBondContact CG2-O 3.39Å; V106-Y151 PolarHBondContact N-O 3.26Å; V106-Q153 HydrophobicContact CG1-CB 3.53Å |
| 107 | R | 90.8 | Very high | 82.1 | Confident | 119 Ų | 119 | 73.7 Ų | 73.7 | 45% | 0.449 | 42% | 0.421 | S | S | . | . | S | Bend | trans | -137.5 | 148 | 177.5 | -80.2 | -174.1 | -75.4 | -143.2 | -5.4 | 110.3 | M150 Y151 | R107-M150 PolarHBondContact NH2-O 3.31Å; R107-Y151 HydrophobicContact CB-CD1 3.42Å; R107-Y151 VanDerWaalsContact CB-CD1 3.42Å; R107-Y151 HydrophobicContact CB-CE1 3.84Å; R107-Y151 HydrophobicContact CB-CG 4.25Å |
| 108 | N | 93.3 | Very high | 84.6 | Confident | 94 Ų | 94 | 69.4 Ų | 69.4 | 50% | 0.503 | 41% | 0.413 | S | S | . | . | trans | -68.2 | 135.9 | 173.5 | -172.8 | 55.4 | 0 | 0 | 0 | 108.8 | V119 A120 I121 | N108-V119 PolarHBondContact OD1-O 2.91Å; N108-A120 WeakPolarHBondContact OD1-CA 3.15Å; N108-I121 HydrophobicContact CB-CD1 4.37Å; N108-I121 HydrophobicContact CB-CG1 4Å | ||
| 109 | Y | 91.7 | Very high | 87.1 | Confident | 30 Ų | 30 | 61.5 Ų | 61.5 | 12% | 0.118 | 37% | 0.371 | C | S | . | . | B | Isolated β-bridge | trans | -133.3 | 120.1 | 175.8 | -178 | -101.4 | 0 | 0 | 0 | 109.3 | T111 E116 V117 G118 V119 W135 L147 P148 Y151 | Y109-T111 HydrophobicContact CE1-CG2 4.14Å; Y109-E116 PolarHBondContact OH-OE2 3.31Å; Y109-E116 VanDerWaalsContact OH-OE2 3.06Å; Y109-V117 WeakPolarHBondContact CD1-O 3.21Å; Y109-G118 CarbonylContact O-C 3.59Å; Y109-G118 WeakPolarHBondContact O-CA 3.46Å; Y109-V119 PolarHBondContact N-O 3.25Å; Y109-V119 PolarHBondContact O-N 3.21Å; Y109-W135 WeakPolarHBondContact OH-CZ3 3.16Å; Y109-L147 HydrophobicContact CD1-CD1 3.26Å; Y109-L147 HydrophobicContact CE1-CD1 3.87Å; Y109-L147 HydrophobicContact CG-CD1 3.65Å; Y109-P148 HydrophobicContact CD2-CG 4.39Å; Y109-P148 HydrophobicContact CE2-CG 3.86Å; Y109-Y151 HydrophobicContact CD2-CD1 4.29Å; Y109-Y151 HydrophobicContact CD2-CE1 4.04Å |
| 110 | S | 90.9 | Very high | 89.2 | Confident | 102 Ų | 102 | 60.4 Ų | 60.4 | 71% | 0.713 | 36% | 0.356 | S | S | * | . | trans | -119 | 127.8 | 178.8 | 55.6 | 0 | 0 | 0 | 0 | 109 | ||||
| 111 | T | 88.9 | Confident | 90.8 | Very high | 46 Ų | 46 | 65.3 Ų | 65.3 | 28% | 0.282 | 38% | 0.377 | S | S | . | . | trans | -129.5 | 153.3 | 179.5 | -176.5 | 0 | 0 | 0 | 0 | 111.3 | Y109 K113 E116 | Y109-T111 HydrophobicContact CE1-CG2 4.14Å; T111-K113 PolarHBondContact OG1-N 2.71Å; T111-K113 VanDerWaalsContact OG1-N 3.09Å; T111-E116 WeakPolarHBondContact CB-OE2 3.29Å; T111-E116 HydrophobicContact CG2-CB 3.53Å; T111-E116 PolarHBondContact OG1-OE2 2.81Å | ||
| 112 | S | 88.5 | Confident | 91 | Very high | 125 Ų | 125 | 64.7 Ų | 64.7 | 87% | 0.874 | 38% | 0.381 | S | S | * | . | trans | -109.1 | -2.3 | 171.5 | 55.1 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 113 | K | 88.8 | Confident | 91 | Very high | 125 Ų | 125 | 62.6 Ų | 62.6 | 54% | 0.543 | 37% | 0.373 | S | S | . | . | S | Bend | trans | -80.3 | 149 | 178.2 | -55.6 | -168.9 | -154.1 | 157 | 0 | 110.8 | T111 D115 E116 | T111-K113 PolarHBondContact OG1-N 2.71Å; T111-K113 VanDerWaalsContact OG1-N 3.09Å; K113-D115 VanDerWaalsContact C-N 3.28Å; K113-D115 PolarHBondContact O-N 3.1Å; K113-E116 HydrophobicContact CB-CB 4.31Å; K113-E116 HydrophobicContact CB-CG 4.2Å; K113-E116 HydrophobicContact CD-CG 4.32Å; K113-E116 WeakPolarHBondContact CD-OE1 3.03Å; K113-E116 VanDerWaalsContact CE-OE1 3.28Å; K113-E116 WeakPolarHBondContact CE-OE1 3.23Å; K113-E116 IonicContact NZ-OE1 2.67Å; K113-E116 PolarHBondContact NZ-OE1 3.32Å; K113-E116 IonicContact NZ-OE2 3.87Å |
| 114 | T | 87.2 | Confident | 90.9 | Very high | 133 Ų | 133 | 64.5 Ų | 64.5 | 82% | 0.816 | 39% | 0.387 | S | S | * | . | S | Bend | trans | -65.7 | -31.1 | 178 | 44.5 | 0 | 0 | 0 | 0 | 113.2 | ||
| 115 | D | 89.4 | Confident | 90.9 | Very high | 105 Ų | 105 | 63.1 Ų | 63.1 | 56% | 0.561 | 38% | 0.378 | S | S | * | . | S | Bend | trans | -96.4 | -10.9 | -167.4 | -44.1 | -18.8 | 0 | 0 | 0 | 112 | K113 G145 Y146 | K113-D115 VanDerWaalsContact C-N 3.28Å; K113-D115 PolarHBondContact O-N 3.1Å; D115-G145 CarbonylContact O-C 3.51Å; D115-G145 VanDerWaalsContact O-CA 3.29Å; D115-G145 WeakPolarHBondContact O-CA 3.39Å; D115-Y146 HydrophobicContact CB-CD2 4.36Å; D115-Y146 WeakPolarHBondContact O-CD2 3.25Å; D115-Y146 PolarHBondContact O-N 3.07Å |
| 116 | E | 93.1 | Very high | 90.8 | Very high | 19 Ų | 19 | 64.7 Ų | 64.7 | 9% | 0.089 | 39% | 0.385 | C | S | . | . | B | Isolated β-bridge | trans | -102.3 | 153.5 | -179.8 | -66 | 173.7 | 175.2 | 0 | 0 | 110.4 | Y109 T111 K113 W135 Y146 | Y109-E116 PolarHBondContact OH-OE2 3.31Å; Y109-E116 VanDerWaalsContact OH-OE2 3.06Å; T111-E116 WeakPolarHBondContact CB-OE2 3.29Å; T111-E116 HydrophobicContact CG2-CB 3.53Å; T111-E116 PolarHBondContact OG1-OE2 2.81Å; K113-E116 HydrophobicContact CB-CB 4.31Å; K113-E116 HydrophobicContact CB-CG 4.2Å; K113-E116 HydrophobicContact CD-CG 4.32Å; K113-E116 WeakPolarHBondContact CD-OE1 3.03Å; K113-E116 VanDerWaalsContact CE-OE1 3.28Å; K113-E116 WeakPolarHBondContact CE-OE1 3.23Å; K113-E116 IonicContact NZ-OE1 2.67Å; K113-E116 PolarHBondContact NZ-OE1 3.32Å; K113-E116 IonicContact NZ-OE2 3.87Å; E116-W135 HydrophobicContact CG-CZ3 4.08Å; E116-W135 WeakPolarHBondContact OE1-CH2 3.39Å; E116-W135 VanDerWaalsContact OE1-CZ3 3.32Å; E116-W135 WeakPolarHBondContact OE1-CZ3 3.49Å; E116-Y146 VanDerWaalsContact CA-O 3.29Å; E116-Y146 WeakPolarHBondContact CA-O 3.48Å |
| 117 | V | 91.3 | Very high | 90.8 | Very high | 5 Ų | 5 | 62.1 Ų | 62.1 | 3% | 0.03 | 37% | 0.369 | C | S | . | . | trans | -117.8 | 124.4 | 179.2 | 62.9 | 0 | 0 | 0 | 0 | 111.9 | Y109 V138 C140 Y146 L147 | Y109-V117 WeakPolarHBondContact CD1-O 3.21Å; V117-V138 HydrophobicContact CG1-CG2 3.41Å; V117-V138 VanDerWaalsContact CG1-CG2 3.41Å; V117-C140 HydrophobicContact CG2-CB 4.05Å; V117-Y146 PolarHBondContact N-O 3.04Å; V117-L147 HydrophobicContact CG1-CB 4.23Å | ||
| 118 | G | 90.9 | Very high | 90.6 | Very high | 39 Ų | 39 | 58.1 Ų | 58.1 | 40% | 0.402 | 36% | 0.357 | S | S | . | . | trans | -77.3 | 138 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y109 | Y109-G118 CarbonylContact O-C 3.59Å; Y109-G118 WeakPolarHBondContact O-CA 3.46Å | ||
| 119 | V | 92.7 | Very high | 90.3 | Very high | 6 Ų | 6 | 59.6 Ų | 59.6 | 4% | 0.036 | 36% | 0.355 | C | S | . | . | B | Isolated β-bridge | trans | -140.1 | 142.4 | -178 | -57.5 | 0 | 0 | 0 | 0 | 111.3 | A105 N108 Y109 C123 V125 C140 L147 | A105-V119 HydrophobicContact CB-CB 4.28Å; A105-V119 HydrophobicContact CB-CG2 3.7Å; N108-V119 PolarHBondContact OD1-O 2.91Å; Y109-V119 PolarHBondContact N-O 3.25Å; Y109-V119 PolarHBondContact O-N 3.21Å; V119-C123 HydrophobicContact CB-CB 4.48Å; V119-V125 HydrophobicContact CG1-CG1 3.9Å; V119-C140 HydrophobicContact CG1-CB 4.24Å; V119-L147 HydrophobicContact CG1-CD2 3.98Å; V119-L147 HydrophobicContact CG2-CD1 3.79Å; V119-L147 HydrophobicContact CG2-CD2 3.73Å; V119-L147 HydrophobicContact CG2-CG 4.46Å |
| 120 | A | 92.7 | Very high | 90.2 | Very high | 46 Ų | 46 | 63.3 Ų | 63.3 | 38% | 0.38 | 37% | 0.372 | S | S | . | . | trans | -89.3 | 160.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | A105 N108 G122 C123 | A105-A120 VanDerWaalsContact CB-O 3.3Å; A105-A120 WeakPolarHBondContact CB-O 3.28Å; N108-A120 WeakPolarHBondContact OD1-CA 3.15Å; A120-G122 PolarHBondContact O-N 3.37Å; A120-C123 VanDerWaalsContact O-CB 3.26Å; A120-C123 WeakPolarHBondContact O-CB 3.47Å; A120-C123 PolarHBondContact O-N 3.08Å; A120-C123 VanDerWaalsContact O-N 3.12Å; A120-C123 PolarHBondContact O-SG 2.79Å | ||
| 121 | I | 93.2 | Very high | 90 | Very high | 117 Ų | 117 | 59.5 Ų | 59.5 | 60% | 0.6 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | 132.9 | 174.5 | -57.5 | 173.9 | 0 | 0 | 0 | 109.3 | A105 N108 C123 | A105-I121 WeakPolarHBondContact O-CA 3.47Å; N108-I121 HydrophobicContact CB-CD1 4.37Å; N108-I121 HydrophobicContact CB-CG1 4Å; I121-C123 VanDerWaalsContact C-N 3.31Å |
| 122 | G | 87.8 | Confident | 89.9 | Confident | 47 Ų | 47 | 65.4 Ų | 65.4 | 49% | 0.485 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86 | -6.9 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | A105 A120 V124 | A105-G122 PolarHBondContact O-N 2.99Å; A120-G122 PolarHBondContact O-N 3.37Å; G122-V124 PolarHBondContact O-N 3.48Å |
| 123 | C | 90 | Very high | 89.8 | Confident | 44 Ų | 44 | 64.2 Ų | 64.2 | 30% | 0.297 | 36% | 0.359 | S | S | . | . | trans | -64.7 | 128.3 | 172.6 | -73.6 | 0 | 0 | 0 | 0 | 110.6 | C104 A105 V119 A120 I121 | C104-C123 WeakPolarHBondContact CA-O 3.41Å; A105-C123 HydrophobicContact CB-CB 4.44Å; A105-C123 PolarHBondContact N-O 3.29Å; V119-C123 HydrophobicContact CB-CB 4.48Å; A120-C123 VanDerWaalsContact O-CB 3.26Å; A120-C123 WeakPolarHBondContact O-CB 3.47Å; A120-C123 PolarHBondContact O-N 3.08Å; A120-C123 VanDerWaalsContact O-N 3.12Å; A120-C123 PolarHBondContact O-SG 2.79Å; I121-C123 VanDerWaalsContact C-N 3.31Å | ||
| 124 | V | 90.4 | Very high | 89.9 | Confident | 64 Ų | 64 | 59.4 Ų | 59.4 | 39% | 0.388 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 128.4 | 168.1 | -176.5 | 0 | 0 | 0 | 0 | 108.3 | L102 Y103 G122 Y155 | L102-V124 HydrophobicContact CB-CG1 4.28Å; L102-V124 HydrophobicContact CD2-CG1 4.22Å; Y103-V124 CarbonylContact O-C 3.42Å; Y103-V124 WeakPolarHBondContact O-CA 3.2Å; G122-V124 PolarHBondContact O-N 3.48Å; V124-Y155 HydrophobicContact CG1-CD1 4.32Å; V124-Y155 HydrophobicContact CG1-CD2 4.46Å; V124-Y155 HydrophobicContact CG1-CG 4.19Å; V124-Y155 HydrophobicContact CG2-CD2 3.73Å; V124-Y155 HydrophobicContact CG2-CE2 3.61Å; V124-Y155 HydrophobicContact CG2-CG 4.28Å |
| 125 | V | 91.7 | Very high | 90.2 | Very high | 2 Ų | 2 | 57.2 Ų | 57.2 | 1% | 0.012 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 156.9 | 175.3 | -55.4 | 0 | 0 | 0 | 0 | 110 | L102 Y103 V119 V138 C140 L152 | L102-V125 WeakPolarHBondContact CA-O 3.46Å; Y103-V125 PolarHBondContact N-O 2.85Å; Y103-V125 PolarHBondContact O-N 3.05Å; V119-V125 HydrophobicContact CG1-CG1 3.9Å; V125-V138 HydrophobicContact CB-CB 4.39Å; V125-V138 HydrophobicContact CB-CG2 4.43Å; V125-V138 HydrophobicContact CG2-CB 4.25Å; V125-V138 HydrophobicContact CG2-CG1 4.4Å; V125-V138 HydrophobicContact CG2-CG2 4.44Å; V125-C140 HydrophobicContact CG1-CB 3.78Å; V125-L152 HydrophobicContact CG2-CD1 4.31Å; V125-L152 HydrophobicContact CG2-CD2 3.55Å |
| 126 | E | 91.7 | Very high | 90.4 | Very high | 32 Ų | 32 | 54.2 Ų | 54.2 | 15% | 0.15 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 122.9 | 175.7 | 177.2 | -177.9 | -161.5 | 0 | 0 | 109.5 | G100 L102 L128 V138 R139 | G100-E126 PolarHBondContact N-OE1 2.93Å; L102-E126 HydrophobicContact CD2-CB 4.16Å; E126-L128 HydrophobicContact CG-CD2 4.06Å; E126-L128 PolarHBondContact O-N 3.42Å; E126-V138 CarbonylContact O-C 3.48Å; E126-V138 WeakPolarHBondContact O-CA 3.43Å; E126-V138 WeakPolarHBondContact O-CB 2.95Å; E126-R139 HydrophobicContact CB-CB 4.3Å; E126-R139 PolarHBondContact N-O 3.43Å; E126-R139 PolarHBondContact O-N 3.17Å; E126-R139 IonicContact OE1-NH2 3.55Å; E126-R139 IonicContact OE2-CZ 3.13Å; E126-R139 IonicContact OE2-NE 2.75Å; E126-R139 PolarHBondContact OE2-NE 2.98Å; E126-R139 IonicContact OE2-NH2 2.69Å; E126-R139 PolarHBondContact OE2-NH2 3.28Å |
| 127 | V | 91.1 | Very high | 90.3 | Very high | 5 Ų | 5 | 54.5 Ų | 54.5 | 3% | 0.03 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 108.5 | 177.7 | 177.3 | 0 | 0 | 0 | 0 | 109.5 | G100 S101 Y103 K130 W136 V138 L152 | G100-V127 CarbonylContact C-O 3.43Å; G100-V127 WeakPolarHBondContact CA-O 3.28Å; S101-V127 PolarHBondContact N-O 2.98Å; S101-V127 PolarHBondContact O-N 3.46Å; Y103-V127 HydrophobicContact CD2-CB 4Å; Y103-V127 HydrophobicContact CD2-CG2 3.28Å; Y103-V127 HydrophobicContact CE2-CB 4.19Å; Y103-V127 HydrophobicContact CE2-CG2 3.82Å; Y103-V127 HydrophobicContact CG-CG2 3.84Å; V127-K130 HydrophobicContact CG1-CG 3.68Å; V127-W136 HydrophobicContact CG1-CB 4.18Å; V127-W136 HydrophobicContact CG1-CD2 4.24Å; V127-W136 HydrophobicContact CG1-CE3 3.85Å; V127-W136 HydrophobicContact CG1-CG 4.43Å; V127-W136 HydrophobicContact CG2-CE3 3.89Å; V127-W136 HydrophobicContact CG2-CZ3 4.42Å; V127-V138 HydrophobicContact CB-CG1 4.44Å; V127-V138 HydrophobicContact CG2-CG1 3.85Å; V127-L152 HydrophobicContact CG2-CD1 4Å |
| 128 | L | 88.4 | Confident | 90.4 | Very high | 34 Ų | 34 | 54.3 Ų | 54.3 | 18% | 0.178 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | -38.4 | 179.7 | -58.3 | -178.8 | 0 | 0 | 0 | 112.3 | F97 E126 L137 R139 V144 | F97-L128 HydrophobicContact CB-CD2 4.49Å; F97-L128 HydrophobicContact CD1-CB 3.91Å; F97-L128 HydrophobicContact CD1-CD1 4.42Å; F97-L128 HydrophobicContact CD1-CD2 4.02Å; F97-L128 HydrophobicContact CD1-CG 4.34Å; F97-L128 HydrophobicContact CE1-CB 3.89Å; F97-L128 HydrophobicContact CE1-CD1 4.43Å; F97-L128 HydrophobicContact CG-CD2 4.49Å; E126-L128 HydrophobicContact CG-CD2 4.06Å; E126-L128 PolarHBondContact O-N 3.42Å; L128-L137 HydrophobicContact CB-CD2 4.46Å; L128-L137 PolarHBondContact N-O 3.4Å; L128-R139 HydrophobicContact CD1-CB 4.15Å; L128-R139 HydrophobicContact CD2-CB 4.41Å; L128-R139 HydrophobicContact CG-CB 4.27Å; L128-V144 HydrophobicContact CD1-CG1 3.83Å; L128-V144 HydrophobicContact CD1-CG2 3.93Å |
| 129 | R | 86.4 | Confident | 90.4 | Very high | 126 Ų | 126 | 58.2 Ų | 58.2 | 48% | 0.475 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 128.9 | 177.1 | -166.6 | 175 | 72.1 | -156.6 | -1.3 | 111.5 | W136 L137 Y146 | R129-W136 CarbonylContact O-C 3.57Å; R129-W136 WeakPolarHBondContact O-CA 3.49Å; R129-W136 WeakPolarHBondContact O-CB 3.35Å; R129-L137 HydrophobicContact CB-CB 3.91Å; R129-L137 PolarHBondContact N-O 3.09Å; R129-L137 VanDerWaalsContact N-O 3.17Å; R129-L137 PolarHBondContact O-N 2.75Å; R129-Y146 PolarHBondContact NH2-OH 2.9Å |
| 130 | K | 88.8 | Confident | 90.2 | Very high | 107 Ų | 107 | 59.2 Ų | 59.2 | 47% | 0.465 | 31% | 0.313 | S | S | . | . | trans | -95.5 | 112.4 | 171.1 | -66.2 | 175.9 | 178.9 | 165.7 | 0 | 109.1 | Y103 V127 W136 | Y103-K130 VanDerWaalsContact OH-CE 3.28Å; Y103-K130 WeakPolarHBondContact OH-CE 3.34Å; Y103-K130 PolarHBondContact OH-NZ 3.07Å; V127-K130 HydrophobicContact CG1-CG 3.68Å; K130-W136 HydrophobicContact CB-CD2 4.34Å; K130-W136 HydrophobicContact CB-CZ2 4.39Å; K130-W136 HydrophobicContact CD-CH2 4.24Å; K130-W136 HydrophobicContact CD-CZ2 4.18Å; K130-W136 HydrophobicContact CG-CD2 3.86Å; K130-W136 HydrophobicContact CG-CE3 4.17Å; K130-W136 HydrophobicContact CG-CG 4.37Å; K130-W136 HydrophobicContact CG-CH2 4.34Å; K130-W136 HydrophobicContact CG-CZ2 4.03Å; K130-W136 HydrophobicContact CG-CZ3 4.4Å | ||
| 131 | S | 86.2 | Confident | 89.7 | Confident | 22 Ų | 22 | 61.4 Ų | 61.4 | 15% | 0.154 | 34% | 0.339 | C | S | . | . | trans | -95.5 | 152.3 | 171.3 | -48.4 | 0 | 0 | 0 | 0 | 110 | D133 W135 W136 | S131-D133 WeakPolarHBondContact CB-OD1 3.19Å; S131-W135 VanDerWaalsContact CB-O 3.28Å; S131-W135 WeakPolarHBondContact CB-O 3.36Å; S131-W135 PolarHBondContact OG-O 3.31Å; S131-W136 VanDerWaalsContact N-CD1 3.35Å; S131-W136 PolarHBondContact O-NE1 2.75Å | ||
| 132 | D | 87.9 | Confident | 89.2 | Confident | 170 Ų | 170 | 59.3 Ų | 59.3 | 91% | 0.909 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.1 | -18.4 | 177.1 | 58.4 | -41.9 | 0 | 0 | 0 | 113.5 | G134 | D132-G134 PolarHBondContact O-N 3.41Å; D132-G134 VanDerWaalsContact O-N 3.14Å |
| 133 | D | 87.2 | Confident | 89.2 | Confident | 101 Ų | 101 | 65.4 Ų | 65.4 | 54% | 0.54 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -6 | 167.7 | 69 | 1.6 | 0 | 0 | 0 | 114.4 | S131 W135 | S131-D133 WeakPolarHBondContact CB-OD1 3.19Å; D133-W135 PolarHBondContact OD1-N 2.87Å |
| 134 | G | 90.2 | Very high | 89.2 | Confident | 23 Ų | 23 | 66.7 Ų | 66.7 | 24% | 0.237 | 36% | 0.362 | C | S | . | . | S | Bend | trans | 85.8 | -3.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | D132 S149 | D132-G134 PolarHBondContact O-N 3.41Å; D132-G134 VanDerWaalsContact O-N 3.14Å; G134-S149 WeakPolarHBondContact O-CB 3.4Å; G134-S149 PolarHBondContact O-N 2.88Å; G134-S149 PolarHBondContact O-OG 3.26Å |
| 135 | W | 93.4 | Very high | 89.3 | Confident | 88 Ų | 88 | 63.8 Ų | 63.8 | 33% | 0.333 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 104.5 | -179.7 | -69.1 | 85.4 | 0 | 0 | 0 | 111.1 | Y109 E116 S131 D133 Y146 P148 | Y109-W135 WeakPolarHBondContact OH-CZ3 3.16Å; E116-W135 HydrophobicContact CG-CZ3 4.08Å; E116-W135 WeakPolarHBondContact OE1-CH2 3.39Å; E116-W135 VanDerWaalsContact OE1-CZ3 3.32Å; E116-W135 WeakPolarHBondContact OE1-CZ3 3.49Å; S131-W135 VanDerWaalsContact CB-O 3.28Å; S131-W135 WeakPolarHBondContact CB-O 3.36Å; S131-W135 PolarHBondContact OG-O 3.31Å; D133-W135 PolarHBondContact OD1-N 2.87Å; W135-Y146 HydrophobicContact CB-CD1 4.41Å; W135-P148 HydrophobicContact CD2-CG 4.41Å; W135-P148 HydrophobicContact CE3-CG 3.95Å; W135-P148 HydrophobicContact CH2-CG 3.83Å; W135-P148 HydrophobicContact CZ2-CG 4.26Å; W135-P148 HydrophobicContact CZ3-CG 3.65Å |
| 136 | W | 93.8 | Very high | 89.4 | Confident | 42 Ų | 42 | 67.3 Ų | 67.3 | 16% | 0.159 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 139.2 | -175.8 | -67.6 | 0.7 | 0 | 0 | 0 | 110.6 | Y103 V127 R129 K130 S131 V138 Y146 L147 S149 L152 | Y103-W136 HydrophobicContact CD1-CZ3 4.09Å; Y103-W136 HydrophobicContact CE1-CH2 4.15Å; Y103-W136 AromaticContact CE1-CZ3 3.6Å; Y103-W136 HydrophobicContact CE1-CZ3 3.6Å; Y103-W136 HydrophobicContact CE2-CZ3 4.17Å; Y103-W136 AromaticContact CZ-CZ3 3.66Å; V127-W136 HydrophobicContact CG1-CB 4.18Å; V127-W136 HydrophobicContact CG1-CD2 4.24Å; V127-W136 HydrophobicContact CG1-CE3 3.85Å; V127-W136 HydrophobicContact CG1-CG 4.43Å; V127-W136 HydrophobicContact CG2-CE3 3.89Å; V127-W136 HydrophobicContact CG2-CZ3 4.42Å; R129-W136 CarbonylContact O-C 3.57Å; R129-W136 WeakPolarHBondContact O-CA 3.49Å; R129-W136 WeakPolarHBondContact O-CB 3.35Å; K130-W136 HydrophobicContact CB-CD2 4.34Å; K130-W136 HydrophobicContact CB-CZ2 4.39Å; K130-W136 HydrophobicContact CD-CH2 4.24Å; K130-W136 HydrophobicContact CD-CZ2 4.18Å; K130-W136 HydrophobicContact CG-CD2 3.86Å; K130-W136 HydrophobicContact CG-CE3 4.17Å; K130-W136 HydrophobicContact CG-CG 4.37Å; K130-W136 HydrophobicContact CG-CH2 4.34Å; K130-W136 HydrophobicContact CG-CZ2 4.03Å; K130-W136 HydrophobicContact CG-CZ3 4.4Å; S131-W136 VanDerWaalsContact N-CD1 3.35Å; S131-W136 PolarHBondContact O-NE1 2.75Å; W136-V138 HydrophobicContact CB-CG1 4.26Å; W136-V138 PolarHBondContact O-N 3.06Å; W136-Y146 CarbonylContact O-C 3.49Å; W136-Y146 WeakPolarHBondContact O-CA 3.29Å; W136-L147 PolarHBondContact N-O 2.97Å; W136-L147 PolarHBondContact O-N 2.95Å; W136-S149 VanDerWaalsContact CD2-CB 3.49Å; W136-L152 HydrophobicContact CE3-CD1 4.04Å |
| 137 | L | 91.1 | Very high | 89.5 | Confident | 25 Ų | 25 | 65.8 Ų | 65.8 | 13% | 0.131 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 119.6 | 172.9 | -169.6 | 70.2 | 0 | 0 | 0 | 107.9 | L128 R129 V144 Y146 | L128-L137 HydrophobicContact CB-CD2 4.46Å; L128-L137 PolarHBondContact N-O 3.4Å; R129-L137 HydrophobicContact CB-CB 3.91Å; R129-L137 PolarHBondContact N-O 3.09Å; R129-L137 VanDerWaalsContact N-O 3.17Å; R129-L137 PolarHBondContact O-N 2.75Å; L137-V144 HydrophobicContact CD1-CG1 3.76Å; L137-V144 HydrophobicContact CD2-CG1 4.19Å; L137-V144 HydrophobicContact CG-CG1 3.83Å; L137-Y146 HydrophobicContact CB-CD1 4.43Å; L137-Y146 HydrophobicContact CB-CE1 4.25Å; L137-Y146 HydrophobicContact CD1-CD1 4.2Å; L137-Y146 HydrophobicContact CD1-CD2 4.47Å; L137-Y146 HydrophobicContact CD1-CE1 4.01Å; L137-Y146 HydrophobicContact CD1-CE2 4.29Å; L137-Y146 HydrophobicContact CD1-CG 4.42Å |
| 138 | V | 92.6 | Very high | 89.6 | Confident | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 151 | -176.3 | -48.2 | 0 | 0 | 0 | 0 | 112.2 | V117 V125 E126 V127 W136 V144 G145 L147 L152 | V117-V138 HydrophobicContact CG1-CG2 3.41Å; V117-V138 VanDerWaalsContact CG1-CG2 3.41Å; V125-V138 HydrophobicContact CB-CB 4.39Å; V125-V138 HydrophobicContact CB-CG2 4.43Å; V125-V138 HydrophobicContact CG2-CB 4.25Å; V125-V138 HydrophobicContact CG2-CG1 4.4Å; V125-V138 HydrophobicContact CG2-CG2 4.44Å; E126-V138 CarbonylContact O-C 3.48Å; E126-V138 WeakPolarHBondContact O-CA 3.43Å; E126-V138 WeakPolarHBondContact O-CB 2.95Å; V127-V138 HydrophobicContact CB-CG1 4.44Å; V127-V138 HydrophobicContact CG2-CG1 3.85Å; W136-V138 HydrophobicContact CB-CG1 4.26Å; W136-V138 PolarHBondContact O-N 3.06Å; V138-V144 WeakPolarHBondContact O-CA 3.29Å; V138-G145 PolarHBondContact N-O 3.21Å; V138-G145 PolarHBondContact O-N 2.86Å; V138-L147 HydrophobicContact CG1-CB 4.24Å; V138-L147 HydrophobicContact CG2-CB 3.71Å; V138-L147 HydrophobicContact CG2-CD2 3.92Å; V138-L147 HydrophobicContact CG2-CG 4.48Å; V138-L152 HydrophobicContact CG1-CD1 4Å |
| 139 | R | 91.1 | Very high | 89.8 | Confident | 121 Ų | 121 | 66 Ų | 66 | 46% | 0.457 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 124 | 171.5 | -171.5 | 164.5 | 68.1 | 158.5 | -5.1 | 109.4 | E126 L128 R143 V144 | E126-R139 HydrophobicContact CB-CB 4.3Å; E126-R139 PolarHBondContact N-O 3.43Å; E126-R139 PolarHBondContact O-N 3.17Å; E126-R139 IonicContact OE1-NH2 3.55Å; E126-R139 IonicContact OE2-CZ 3.13Å; E126-R139 IonicContact OE2-NE 2.75Å; E126-R139 PolarHBondContact OE2-NE 2.98Å; E126-R139 IonicContact OE2-NH2 2.69Å; E126-R139 PolarHBondContact OE2-NH2 3.28Å; L128-R139 HydrophobicContact CD1-CB 4.15Å; L128-R139 HydrophobicContact CD2-CB 4.41Å; L128-R139 HydrophobicContact CG-CB 4.27Å; R139-R143 WeakPolarHBondContact CA-O 3.28Å; R139-V144 HydrophobicContact CB-CG2 4.14Å; R139-V144 HydrophobicContact CG-CG2 4.04Å |
| 140 | C | 88.4 | Confident | 90.1 | Very high | 28 Ų | 28 | 65.6 Ų | 65.6 | 19% | 0.189 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 118.2 | 177.7 | -177.3 | 0 | 0 | 0 | 0 | 109.6 | V117 V119 V125 G142 R143 | V117-C140 HydrophobicContact CG2-CB 4.05Å; V119-C140 HydrophobicContact CG1-CB 4.24Å; V125-C140 HydrophobicContact CG1-CB 3.78Å; C140-G142 VanDerWaalsContact C-N 3.27Å; C140-G142 PolarHBondContact O-N 3.33Å; C140-R143 PolarHBondContact N-O 3.42Å; C140-R143 PolarHBondContact O-N 3.23Å |
| 141 | G | 82.6 | Confident | 90.2 | Very high | 91 Ų | 91 | 63.3 Ų | 63.3 | 94% | 0.938 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.7 | 36.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | R143 | G141-R143 VanDerWaalsContact C-N 3.26Å; G141-R143 PolarHBondContact O-N 3.09Å |
| 142 | G | 83.1 | Confident | 90.5 | Very high | 73 Ų | 73 | 63 Ų | 63 | 75% | 0.753 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.8 | -10.4 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | C140 | C140-G142 VanDerWaalsContact C-N 3.27Å; C140-G142 PolarHBondContact O-N 3.33Å |
| 143 | R | 86.6 | Confident | 90.6 | Very high | 176 Ų | 176 | 60.5 Ų | 60.5 | 66% | 0.664 | 33% | 0.329 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 134.8 | 172.1 | -170.7 | 177.1 | -62.3 | -168 | 1.4 | 110.5 | R139 C140 G141 | R139-R143 WeakPolarHBondContact CA-O 3.28Å; C140-R143 PolarHBondContact N-O 3.42Å; C140-R143 PolarHBondContact O-N 3.23Å; G141-R143 VanDerWaalsContact C-N 3.26Å; G141-R143 PolarHBondContact O-N 3.09Å |
| 144 | V | 90.9 | Very high | 90.6 | Very high | 71 Ų | 71 | 59.7 Ų | 59.7 | 43% | 0.43 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 137.3 | 170.7 | 178.5 | 0 | 0 | 0 | 0 | 109.1 | L128 L137 V138 R139 | L128-V144 HydrophobicContact CD1-CG1 3.83Å; L128-V144 HydrophobicContact CD1-CG2 3.93Å; L137-V144 HydrophobicContact CD1-CG1 3.76Å; L137-V144 HydrophobicContact CD2-CG1 4.19Å; L137-V144 HydrophobicContact CG-CG1 3.83Å; V138-V144 WeakPolarHBondContact O-CA 3.29Å; R139-V144 HydrophobicContact CB-CG2 4.14Å; R139-V144 HydrophobicContact CG-CG2 4.04Å |
| 145 | G | 92.9 | Very high | 90.3 | Very high | 3 Ų | 3 | 62.9 Ų | 62.9 | 3% | 0.031 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -172.9 | 171.9 | 176 | 0 | 0 | 0 | 0 | 0 | 112.4 | D115 V138 | D115-G145 CarbonylContact O-C 3.51Å; D115-G145 VanDerWaalsContact O-CA 3.29Å; D115-G145 WeakPolarHBondContact O-CA 3.39Å; V138-G145 PolarHBondContact N-O 3.21Å; V138-G145 PolarHBondContact O-N 2.86Å |
| 146 | Y | 93.6 | Very high | 89.3 | Confident | 75 Ų | 75 | 63.5 Ų | 63.5 | 29% | 0.294 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 142.1 | 177.3 | -66.1 | -77.7 | 0 | 0 | 0 | 112.1 | D115 E116 V117 R129 W135 W136 L137 | D115-Y146 HydrophobicContact CB-CD2 4.36Å; D115-Y146 WeakPolarHBondContact O-CD2 3.25Å; D115-Y146 PolarHBondContact O-N 3.07Å; E116-Y146 VanDerWaalsContact CA-O 3.29Å; E116-Y146 WeakPolarHBondContact CA-O 3.48Å; V117-Y146 PolarHBondContact N-O 3.04Å; R129-Y146 PolarHBondContact NH2-OH 2.9Å; W135-Y146 HydrophobicContact CB-CD1 4.41Å; W136-Y146 CarbonylContact O-C 3.49Å; W136-Y146 WeakPolarHBondContact O-CA 3.29Å; L137-Y146 HydrophobicContact CB-CD1 4.43Å; L137-Y146 HydrophobicContact CB-CE1 4.25Å; L137-Y146 HydrophobicContact CD1-CD1 4.2Å; L137-Y146 HydrophobicContact CD1-CD2 4.47Å; L137-Y146 HydrophobicContact CD1-CE1 4.01Å; L137-Y146 HydrophobicContact CD1-CE2 4.29Å; L137-Y146 HydrophobicContact CD1-CG 4.42Å |
| 147 | L | 93.6 | Very high | 88.1 | Confident | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 135.5 | 176.5 | -177.6 | 66.7 | 0 | 0 | 0 | 109.6 | Y109 V117 V119 W136 V138 S149 L152 | Y109-L147 HydrophobicContact CD1-CD1 3.26Å; Y109-L147 HydrophobicContact CE1-CD1 3.87Å; Y109-L147 HydrophobicContact CG-CD1 3.65Å; V117-L147 HydrophobicContact CG1-CB 4.23Å; V119-L147 HydrophobicContact CG1-CD2 3.98Å; V119-L147 HydrophobicContact CG2-CD1 3.79Å; V119-L147 HydrophobicContact CG2-CD2 3.73Å; V119-L147 HydrophobicContact CG2-CG 4.46Å; W136-L147 PolarHBondContact N-O 2.97Å; W136-L147 PolarHBondContact O-N 2.95Å; V138-L147 HydrophobicContact CG1-CB 4.24Å; V138-L147 HydrophobicContact CG2-CB 3.71Å; V138-L147 HydrophobicContact CG2-CD2 3.92Å; V138-L147 HydrophobicContact CG2-CG 4.48Å; L147-S149 PolarHBondContact O-N 3.49Å; L147-L152 HydrophobicContact CD2-CD1 4.01Å; L147-L152 HydrophobicContact CD2-CD2 3.62Å; L147-L152 HydrophobicContact CD2-CG 3.94Å; L147-L152 HydrophobicContact CG-CD1 4.5Å |
| 148 | P | 93.3 | Very high | 86.5 | Confident | 13 Ų | 13 | 68 Ų | 68 | 8% | 0.084 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 127.7 | -179 | -13.4 | 26.5 | 0 | 0 | 0 | 111.3 | Y109 W135 M150 Y151 | Y109-P148 HydrophobicContact CD2-CG 4.39Å; Y109-P148 HydrophobicContact CE2-CG 3.86Å; W135-P148 HydrophobicContact CD2-CG 4.41Å; W135-P148 HydrophobicContact CE3-CG 3.95Å; W135-P148 HydrophobicContact CH2-CG 3.83Å; W135-P148 HydrophobicContact CZ2-CG 4.26Å; W135-P148 HydrophobicContact CZ3-CG 3.65Å; P148-M150 HydrophobicContact CB-CG 4.27Å; P148-M150 PolarHBondContact O-N 3.46Å; P148-M150 VanDerWaalsContact O-N 3.09Å; P148-Y151 HydrophobicContact CB-CD2 3.86Å; P148-Y151 HydrophobicContact CB-CE2 4.21Å; P148-Y151 HydrophobicContact CG-CD2 4.16Å; P148-Y151 HydrophobicContact CG-CE2 4.29Å; P148-Y151 WeakPolarHBondContact O-CB 3.36Å; P148-Y151 PolarHBondContact O-N 2.89Å |
| 149 | S | 91.6 | Very high | 84.6 | Confident | 32 Ų | 32 | 78.4 Ų | 78.4 | 22% | 0.224 | 42% | 0.424 | C | S | . | . | G | 310 helix | trans | -56.1 | -29.9 | -176.4 | 59 | 0 | 0 | 0 | 0 | 113.9 | G134 W136 L147 Y151 L152 | G134-S149 WeakPolarHBondContact O-CB 3.4Å; G134-S149 PolarHBondContact O-N 2.88Å; G134-S149 PolarHBondContact O-OG 3.26Å; W136-S149 VanDerWaalsContact CD2-CB 3.49Å; L147-S149 PolarHBondContact O-N 3.49Å; S149-Y151 PolarHBondContact O-N 3.17Å; S149-Y151 VanDerWaalsContact O-N 3.1Å; S149-L152 WeakPolarHBondContact O-CB 3.29Å; S149-L152 PolarHBondContact O-N 2.85Å |
| 150 | M | 93.3 | Very high | 82.7 | Confident | 116 Ų | 116 | 82.6 Ų | 82.6 | 57% | 0.571 | 44% | 0.44 | S | S | * | . | G | 310 helix | trans | -66.8 | -5.4 | 175.5 | 71.4 | -177.5 | -70.6 | 0 | 0 | 115.1 | R107 P148 | R107-M150 PolarHBondContact NH2-O 3.31Å; P148-M150 HydrophobicContact CB-CG 4.27Å; P148-M150 PolarHBondContact O-N 3.46Å; P148-M150 VanDerWaalsContact O-N 3.09Å |
| 151 | Y | 91.8 | Very high | 80.6 | Confident | 59 Ų | 59 | 83.7 Ų | 83.7 | 23% | 0.231 | 46% | 0.456 | C | S | . | . | G | 310 helix | trans | -98.6 | -2.6 | 172.3 | -70.1 | -113.7 | 0 | 0 | 0 | 111.6 | A105 V106 R107 Y109 P148 S149 | A105-Y151 CarbonylContact C-O 3.6Å; A105-Y151 VanDerWaalsContact CA-O 3.3Å; A105-Y151 WeakPolarHBondContact CA-O 3.47Å; V106-Y151 WeakPolarHBondContact CG2-O 3.39Å; V106-Y151 PolarHBondContact N-O 3.26Å; R107-Y151 HydrophobicContact CB-CD1 3.42Å; R107-Y151 VanDerWaalsContact CB-CD1 3.42Å; R107-Y151 HydrophobicContact CB-CE1 3.84Å; R107-Y151 HydrophobicContact CB-CG 4.25Å; Y109-Y151 HydrophobicContact CD2-CD1 4.29Å; Y109-Y151 HydrophobicContact CD2-CE1 4.04Å; P148-Y151 HydrophobicContact CB-CD2 3.86Å; P148-Y151 HydrophobicContact CB-CE2 4.21Å; P148-Y151 HydrophobicContact CG-CD2 4.16Å; P148-Y151 HydrophobicContact CG-CE2 4.29Å; P148-Y151 WeakPolarHBondContact O-CB 3.36Å; P148-Y151 PolarHBondContact O-N 2.89Å; S149-Y151 PolarHBondContact O-N 3.17Å; S149-Y151 VanDerWaalsContact O-N 3.1Å |
| 152 | L | 90.9 | Very high | 79.2 | Confident | 16 Ų | 16 | 86.7 Ų | 86.7 | 8% | 0.084 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 140 | -173.2 | -65.4 | 178.8 | 0 | 0 | 0 | 112 | Y103 C104 A105 V125 V127 W136 V138 L147 S149 | Y103-L152 HydrophobicContact CD1-CB 3.85Å; Y103-L152 HydrophobicContact CG-CB 4.23Å; C104-L152 WeakPolarHBondContact O-CA 3.38Å; A105-L152 HydrophobicContact CB-CD2 4.49Å; V125-L152 HydrophobicContact CG2-CD1 4.31Å; V125-L152 HydrophobicContact CG2-CD2 3.55Å; V127-L152 HydrophobicContact CG2-CD1 4Å; W136-L152 HydrophobicContact CE3-CD1 4.04Å; V138-L152 HydrophobicContact CG1-CD1 4Å; L147-L152 HydrophobicContact CD2-CD1 4.01Å; L147-L152 HydrophobicContact CD2-CD2 3.62Å; L147-L152 HydrophobicContact CD2-CG 3.94Å; L147-L152 HydrophobicContact CG-CD1 4.5Å; S149-L152 WeakPolarHBondContact O-CB 3.29Å; S149-L152 PolarHBondContact O-N 2.85Å |
| 153 | Q | 90.2 | Very high | 77.7 | Confident | 118 Ų | 118 | 91.8 Ų | 91.8 | 55% | 0.551 | 45% | 0.454 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 140.9 | 170.9 | -177.8 | 176.8 | -13.4 | 0 | 0 | 109.8 | Y103 C104 V106 Y155 | Y103-Q153 CarbonylContact C-O 3.46Å; Y103-Q153 VanDerWaalsContact CA-O 3.25Å; Y103-Q153 WeakPolarHBondContact CA-O 3.47Å; Y103-Q153 WeakPolarHBondContact CB-O 3.19Å; Y103-Q153 WeakPolarHBondContact CD1-O 3.45Å; C104-Q153 PolarHBondContact N-O 2.81Å; C104-Q153 PolarHBondContact O-N 3Å; V106-Q153 HydrophobicContact CG1-CB 3.53Å; Q153-Y155 PolarHBondContact O-N 2.69Å |
| 154 | P | 88.1 | Confident | 76 | Confident | 83 Ų | 83 | 86.6 Ų | 86.6 | 54% | 0.539 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -52 | 128 | 178.4 | -26.9 | 33.9 | 0 | 0 | 0 | 111.8 | Y103 S156 | Y103-P154 HydrophobicContact CD1-CG 4.25Å; Y103-P154 VanDerWaalsContact CD1-N 3.32Å; Y103-P154 HydrophobicContact CE1-CB 4.18Å; Y103-P154 HydrophobicContact CE1-CG 3.61Å; P154-S156 PolarHBondContact O-N 2.86Å |
| 155 | Y | 84 | Confident | 73.7 | Confident | 91 Ų | 91 | 94 Ų | 94 | 36% | 0.357 | 48% | 0.476 | S | S | . | . | trans | -76.9 | 91.2 | -177.7 | -179.8 | -108.4 | 0 | 0 | 0 | 110.5 | L102 C104 V124 Q153 N157 | L102-Y155 HydrophobicContact CB-CD1 4.17Å; L102-Y155 HydrophobicContact CB-CG 4.43Å; L102-Y155 HydrophobicContact CD1-CD1 4.19Å; L102-Y155 WeakPolarHBondContact O-CB 3.4Å; L102-Y155 PolarHBondContact O-N 3.46Å; C104-Y155 HydrophobicContact CB-CD2 4.21Å; V124-Y155 HydrophobicContact CG1-CD1 4.32Å; V124-Y155 HydrophobicContact CG1-CD2 4.46Å; V124-Y155 HydrophobicContact CG1-CG 4.19Å; V124-Y155 HydrophobicContact CG2-CD2 3.73Å; V124-Y155 HydrophobicContact CG2-CE2 3.61Å; V124-Y155 HydrophobicContact CG2-CG 4.28Å; Q153-Y155 PolarHBondContact O-N 2.69Å; Y155-N157 HydrophobicContact CD1-CB 4.48Å; Y155-N157 HydrophobicContact CE1-CB 3.89Å; Y155-N157 PolarHBondContact O-N 2.75Å | ||
| 156 | S | 73.1 | Confident | 71.6 | Confident | 101 Ų | 101 | 102.5 Ų | 102.5 | 71% | 0.706 | 51% | 0.514 | S | S | * | . | trans | -77 | 99.3 | 168.3 | -172.8 | 0 | 0 | 0 | 0 | 109.4 | P154 P158 | P154-S156 PolarHBondContact O-N 2.86Å; S156-P158 WeakPolarHBondContact O-CD 3.28Å | ||
| 157 | N | 67.8 | Low | 69.4 | Low | 54 Ų | 54 | 104.3 Ų | 104.3 | 29% | 0.289 | 54% | 0.535 | S | S | . | . | trans | -60 | 118 | 172.8 | -178.1 | -24.8 | 0 | 0 | 0 | 109 | Y155 R159 R160 | Y155-N157 HydrophobicContact CD1-CB 4.48Å; Y155-N157 HydrophobicContact CE1-CB 3.89Å; Y155-N157 PolarHBondContact O-N 2.75Å; N157-R159 PolarHBondContact O-N 3.01Å; N157-R159 WeakPolarHBondContact OD1-CB 3.39Å; N157-R159 PolarHBondContact OD1-N 3.33Å; N157-R160 HydrophobicContact CB-CB 4.49Å; N157-R160 HydrophobicContact CB-CG 4.3Å; N157-R160 PolarHBondContact O-N 3.24Å | ||
| 158 | P | 56.8 | Low | 67 | Low | 108 Ų | 108 | 112.8 Ų | 112.8 | 70% | 0.701 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.8 | -16.9 | -175.9 | 24.5 | -33.7 | 0 | 0 | 0 | 113.4 | S156 | S156-P158 WeakPolarHBondContact O-CD 3.28Š|
| 159 | R | 52.8 | Low | 64.5 | Low | 217 Ų | 217 | 117 Ų | 117 | 82% | 0.819 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.5 | -19.4 | 172.3 | -65.7 | -177.2 | 164.5 | 163 | -3.7 | 114 | N157 G161 | N157-R159 PolarHBondContact O-N 3.01Å; N157-R159 WeakPolarHBondContact OD1-CB 3.39Å; N157-R159 PolarHBondContact OD1-N 3.33Å; R159-G161 VanDerWaalsContact C-N 3.31Å |
| 160 | R | 51.9 | Low | 62.1 | Low | 209 Ų | 209 | 120.4 Ų | 120.4 | 79% | 0.789 | 63% | 0.628 | S | S | * | * | G | 310 helix | trans | -75.2 | -18.2 | 172.8 | -78.8 | -174.5 | 169.3 | 173.3 | -3.5 | 112.8 | N157 L162 | N157-R160 HydrophobicContact CB-CB 4.49Å; N157-R160 HydrophobicContact CB-CG 4.3Å; N157-R160 PolarHBondContact O-N 3.24Å; R160-L162 PolarHBondContact O-N 3.12Å |
| 161 | G | 44.3 | Very low | 60 | Low | 51 Ų | 51 | 119 Ų | 119 | 53% | 0.526 | 63% | 0.63 | S | S | . | * | G | 310 helix | trans | -78.5 | -11.1 | -171.7 | 0 | 0 | 0 | 0 | 0 | 117.7 | R159 H163 | R159-G161 VanDerWaalsContact C-N 3.31Å; G161-H163 VanDerWaalsContact C-N 3.26Å; G161-H163 PolarHBondContact O-N 2.93Å |
| 162 | L | 52.3 | Low | 57.9 | Low | 154 Ų | 154 | 124.1 Ų | 124.1 | 81% | 0.806 | 66% | 0.66 | S | S | * | * | G | 310 helix | trans | -76.2 | -6.8 | -174.8 | -66.7 | 178.9 | 0 | 0 | 0 | 114.9 | R160 | R160-L162 PolarHBondContact O-N 3.12Š|
| 163 | H | 51.3 | Low | 55.9 | Low | 180 Ų | 180 | 130.7 Ų | 130.7 | 83% | 0.833 | 70% | 0.695 | S | S | * | * | G | 310 helix | trans | -98.3 | 16.9 | -174.6 | -61.2 | 86.5 | 0 | 0 | 0 | 114.2 | G161 | G161-H163 VanDerWaalsContact C-N 3.26Å; G161-H163 PolarHBondContact O-N 2.93Å |
| 164 | G | 51.3 | Low | 53.8 | Low | 68 Ų | 68 | 133.2 Ų | 133.2 | 70% | 0.701 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -149.1 | -1.5 | -168.9 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||
| 165 | R | 42.8 | Very low | 51.6 | Low | 227 Ų | 227 | 133.4 Ų | 133.4 | 86% | 0.857 | 72% | 0.721 | S | S | * | * | trans | -138.4 | 117 | 175.2 | -59 | -165.9 | 85.2 | -177.7 | 4.5 | 112.2 | P167 | R165-P167 WeakPolarHBondContact O-CD 3.39Š| ||
| 166 | H | 48.7 | Very low | 49.7 | Very low | 180 Ų | 180 | 135 Ų | 135 | 83% | 0.833 | 75% | 0.745 | S | S | * | * | trans | -53.5 | 121.8 | 163.2 | -102.7 | -95.8 | 0 | 0 | 0 | 110 | H168 | H166-H168 PolarHBondContact O-N 3.14Š| ||
| 167 | P | 47.5 | Very low | 48.1 | Very low | 113 Ų | 113 | 136 Ų | 136 | 73% | 0.734 | 75% | 0.752 | S | S | * | * | trans | -76.2 | 109.8 | 159.6 | -0.7 | 19 | 0 | 0 | 0 | 107.3 | R165 S169 | R165-P167 WeakPolarHBondContact O-CD 3.39Å; P167-S169 PolarHBondContact O-N 2.79Å | ||
| 168 | H | 43.4 | Very low | 46.9 | Very low | 178 Ų | 178 | 136.3 Ų | 136.3 | 82% | 0.824 | 77% | 0.768 | S | S | * | * | trans | -63.1 | 107.5 | 155.7 | -105.1 | -145.5 | 0 | 0 | 0 | 106.8 | H166 S170 | H166-H168 PolarHBondContact O-N 3.14Å; H168-S170 VanDerWaalsContact C-N 3.32Å; H168-S170 PolarHBondContact O-N 3.03Å | ||
| 169 | S | 40.1 | Very low | 46.1 | Very low | 102 Ų | 102 | 138.3 Ų | 138.3 | 71% | 0.713 | 78% | 0.778 | S | S | * | * | trans | -72.1 | 84.5 | -179.8 | 175.4 | 0 | 0 | 0 | 0 | 110.5 | P167 S171 | P167-S169 PolarHBondContact O-N 2.79Å; S169-S171 PolarHBondContact O-N 2.94Å; S169-S171 VanDerWaalsContact O-N 3.16Å | ||
| 170 | S | 42.4 | Very low | 45.3 | Very low | 103 Ų | 103 | 139.5 Ų | 139.5 | 72% | 0.72 | 78% | 0.782 | S | S | * | * | trans | -71.7 | 99.6 | 160.6 | 53.2 | 0 | 0 | 0 | 0 | 108.6 | H168 L172 | H168-S170 VanDerWaalsContact C-N 3.32Å; H168-S170 PolarHBondContact O-N 3.03Å; S170-L172 PolarHBondContact O-N 2.94Å | ||
| 171 | S | 47.8 | Very low | 44.3 | Very low | 87 Ų | 87 | 132.9 Ų | 132.9 | 61% | 0.608 | 78% | 0.779 | S | S | * | * | trans | -61.4 | 104.8 | -175.9 | -54.2 | 0 | 0 | 0 | 0 | 112.5 | S169 N173 | S169-S171 PolarHBondContact O-N 2.94Å; S169-S171 VanDerWaalsContact O-N 3.16Å; S171-N173 PolarHBondContact O-N 2.81Å | ||
| 172 | L | 47.9 | Very low | 43.7 | Very low | 167 Ų | 167 | 135.8 Ų | 135.8 | 87% | 0.874 | 79% | 0.792 | S | S | * | * | trans | -90.4 | 93.2 | 166.1 | -68.2 | -178.9 | 0 | 0 | 0 | 109.6 | S170 L174 | S170-L172 PolarHBondContact O-N 2.94Å; L172-L174 PolarHBondContact O-N 2.98Å | ||
| 173 | N | 49.7 | Very low | 42.8 | Very low | 153 Ų | 153 | 139.8 Ų | 139.8 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | trans | -71.6 | 91.9 | 171.2 | -69.2 | -54.2 | 0 | 0 | 0 | 110 | S171 A175 | S171-N173 PolarHBondContact O-N 2.81Å; N173-A175 PolarHBondContact O-N 2.86Å; N173-A175 VanDerWaalsContact O-N 3.14Å | ||
| 174 | L | 46.2 | Very low | 41.8 | Very low | 171 Ų | 171 | 136.3 Ų | 136.3 | 90% | 0.895 | 79% | 0.792 | S | S | * | * | trans | -80.3 | 90.5 | 165.9 | -168.8 | 64.1 | 0 | 0 | 0 | 109.1 | L172 S176 | L172-L174 PolarHBondContact O-N 2.98Å; L174-S176 PolarHBondContact O-N 2.88Å; L174-S176 VanDerWaalsContact O-N 3.12Å | ||
| 175 | A | 42 | Very low | 41 | Very low | 88 Ų | 88 | 138.4 Ų | 138.4 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | trans | -62.4 | 112.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | N173 S177 | N173-A175 PolarHBondContact O-N 2.86Å; N173-A175 VanDerWaalsContact O-N 3.14Å; A175-S177 PolarHBondContact O-N 2.9Å | ||
| 176 | S | 44.2 | Very low | 40.5 | Very low | 123 Ų | 123 | 136 Ų | 136 | 86% | 0.86 | 79% | 0.794 | S | S | * | * | trans | -70.3 | 92.9 | 173.5 | -172.9 | 0 | 0 | 0 | 0 | 109.6 | L174 G178 | L174-S176 PolarHBondContact O-N 2.88Å; L174-S176 VanDerWaalsContact O-N 3.12Å; S176-G178 PolarHBondContact O-N 3.2Å | ||
| 177 | S | 39.9 | Very low | 40.1 | Very low | 122 Ų | 122 | 133.1 Ų | 133.1 | 85% | 0.853 | 79% | 0.792 | S | S | * | * | trans | -75.4 | 102.8 | 174.7 | -164.9 | 0 | 0 | 0 | 0 | 109.3 | A175 | A175-S177 PolarHBondContact O-N 2.9Š| ||
| 178 | G | 40.7 | Very low | 39.2 | Very low | 62 Ų | 62 | 133 Ų | 133 | 64% | 0.639 | 79% | 0.788 | S | S | * | * | trans | -80.2 | 151.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | S176 | S176-G178 PolarHBondContact O-N 3.2Š| ||
| 179 | V | 39.9 | Very low | 38.6 | Very low | 149 Ų | 149 | 132.2 Ų | 132.2 | 90% | 0.903 | 79% | 0.785 | S | S | * | * | trans | -128.6 | 137.4 | 155 | 144.5 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 180 | R | 36.3 | Very low | 38 | Very low | 243 Ų | 243 | 132.8 Ų | 132.8 | 92% | 0.917 | 78% | 0.78 | S | S | * | * | trans | -87.6 | 132.2 | -175 | -67.8 | 176.6 | 169.7 | -151.9 | -2.3 | 111.2 | ||||
| 181 | G | 31.5 | Very low | 37.4 | Very low | 70 Ų | 70 | 135 Ų | 135 | 72% | 0.722 | 78% | 0.779 | S | S | * | * | trans | 57.3 | 130.8 | 132.7 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 182 | S | 32.8 | Very low | 36.5 | Very low | 112 Ų | 112 | 139 Ų | 139 | 78% | 0.783 | 79% | 0.789 | S | S | * | * | -171.6 | 132.7 | 110.1 | -84.7 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 183 | R | 32.5 | Very low | 35.8 | Very low | 238 Ų | 238 | 137.1 Ų | 137.1 | 90% | 0.898 | 79% | 0.789 | S | S | * | * | trans | 44.5 | 136.1 | 135.9 | -62.5 | 175.9 | 156.4 | -159.2 | -7.3 | 121.3 | ||||
| 184 | S | 30.9 | Very low | 34.9 | Very low | 107 Ų | 107 | 133.3 Ų | 133.3 | 75% | 0.748 | 79% | 0.786 | S | S | * | * | trans | 115.5 | 110.5 | 134 | -156.3 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 185 | S | 33.9 | Very low | 34.2 | Very low | 112 Ų | 112 | 129.7 Ų | 129.7 | 78% | 0.783 | 78% | 0.775 | S | S | * | * | 61.3 | 144.1 | 128 | -40.6 | 0 | 0 | 0 | 0 | 123.3 | |||||
| 186 | Q | 31.9 | Very low | 33.8 | Very low | 175 Ų | 175 | 136.7 Ų | 136.7 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | trans | -65.6 | 166.3 | 169.3 | -47.4 | 174.7 | -62.2 | 0 | 0 | 112 | ||||
| 187 | P | 41.3 | Very low | 33.3 | Very low | 121 Ų | 121 | 142.7 Ų | 142.7 | 79% | 0.786 | 79% | 0.786 | S | S | * | * | -131 | 176.7 | 63.2 | 15.3 | 10.8 | 0 | 0 | 0 | 112.8 | |||||
| 188 | V | 28.7 | Very low | 32.8 | Very low | 110 Ų | 110 | 140.3 Ų | 140.3 | 67% | 0.667 | 78% | 0.781 | S | S | * | * | cis | 84.2 | 106.8 | 31.6 | -178.4 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 189 | Q | 29.4 | Very low | 32.4 | Very low | 162 Ų | 162 | 143.4 Ų | 143.4 | 76% | 0.757 | 79% | 0.793 | S | S | * | * | trans | 59.5 | 136.8 | 149.2 | -81.5 | 179.7 | -45.5 | 0 | 0 | 125.7 | ||||
| 190 | N | 28.5 | Very low | 32.1 | Very low | 114 Ų | 114 | 140.4 Ų | 140.4 | 61% | 0.61 | 78% | 0.784 | S | S | * | * | trans | 89.8 | 119.3 | 132.9 | -78.4 | 8.2 | 0 | 0 | 0 | 124.6 | ||||
| 191 | Q | 30.3 | Very low | 32.4 | Very low | 149 Ų | 149 | 135.7 Ų | 135.7 | 70% | 0.696 | 78% | 0.782 | S | S | * | * | 67.3 | 121.6 | 125.6 | -65.1 | 179.1 | 20.1 | 0 | 0 | 123.1 | |||||
| 192 | E | 28.6 | Very low | 33.2 | Very low | 172 Ų | 172 | 137.8 Ų | 137.8 | 80% | 0.804 | 78% | 0.783 | S | S | * | * | trans | 32.8 | 124.2 | 135.8 | -71.2 | 153.3 | 85.8 | 0 | 0 | 120.3 | ||||
| 193 | S | 32 | Very low | 33.1 | Very low | 126 Ų | 126 | 140.4 Ų | 140.4 | 88% | 0.881 | 78% | 0.782 | S | S | * | * | 170.1 | 167.6 | 75.2 | 46.2 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 194 | G | 31.6 | Very low | 33.2 | Very low | 73 Ų | 73 | 139.6 Ų | 139.6 | 75% | 0.753 | 78% | 0.779 | S | S | * | * | trans | 116.5 | 60.1 | 148.5 | 0 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 195 | S | 31.2 | Very low | 34 | Very low | 96 Ų | 96 | 142.5 Ų | 142.5 | 67% | 0.671 | 79% | 0.786 | S | S | * | * | 53.2 | 116.8 | 126.6 | -160.6 | 0 | 0 | 0 | 0 | 123.8 | |||||
| 196 | R | 33.7 | Very low | 34.5 | Very low | 235 Ų | 235 | 143.4 Ų | 143.4 | 89% | 0.887 | 79% | 0.789 | S | S | * | * | trans | 75.7 | 144.9 | 146.7 | -63.3 | 165.9 | -164.9 | -132.2 | -2.2 | 118.1 | ||||
| 197 | R | 32.9 | Very low | 34.7 | Very low | 248 Ų | 248 | 146.2 Ų | 146.2 | 94% | 0.936 | 79% | 0.792 | S | S | * | * | cis | -160.2 | 147 | 8 | -155.2 | -179.6 | -176 | -137.9 | 3.5 | 110.6 | ||||
| 198 | G | 30.8 | Very low | 34.5 | Very low | 72 Ų | 72 | 145.2 Ų | 145.2 | 74% | 0.742 | 79% | 0.794 | S | S | * | * | trans | 130.6 | 91.7 | 147.2 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 199 | S | 31.7 | Very low | 35.1 | Very low | 128 Ų | 128 | 149.2 Ų | 149.2 | 90% | 0.895 | 81% | 0.806 | S | S | * | * | trans | 69.4 | 137.1 | 135.8 | -142 | 0 | 0 | 0 | 0 | 124.9 | ||||
| 200 | A | 33.5 | Very low | 35.4 | Very low | 86 Ų | 86 | 147.1 Ų | 147.1 | 71% | 0.711 | 81% | 0.809 | S | S | * | * | trans | 77.7 | 93.3 | 150.4 | 0 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 201 | V | 43.7 | Very low | 36.2 | Very low | 144 Ų | 144 | 149.4 Ų | 149.4 | 87% | 0.873 | 82% | 0.82 | S | S | * | * | 43.2 | 138.8 | 119.4 | -179.8 | 0 | 0 | 0 | 0 | 120.4 | |||||
| 202 | P | 47.8 | Very low | 36.7 | Very low | 114 Ų | 114 | 149.2 Ų | 149.2 | 74% | 0.74 | 82% | 0.824 | S | S | * | * | trans | -104.8 | 175.6 | -154.9 | 42.4 | -35.7 | 0 | 0 | 0 | 115.2 | ||||
| 203 | E | 30 | Very low | 37.1 | Very low | 166 Ų | 166 | 147.4 Ų | 147.4 | 78% | 0.776 | 83% | 0.825 | S | S | * | * | trans | -175.1 | 165.1 | 145.1 | -112.9 | -65.6 | 104.5 | 0 | 0 | 113.9 | ||||
| 204 | R | 35.3 | Very low | 37.2 | Very low | 221 Ų | 221 | 149.2 Ų | 149.2 | 83% | 0.834 | 82% | 0.823 | S | S | * | * | trans | 79.3 | 104 | 160.1 | -72.7 | -178.9 | 176.2 | -172.2 | -4.2 | 123.1 | ||||
| 205 | L | 48.2 | Very low | 37.2 | Very low | 168 Ų | 168 | 151.2 Ų | 151.2 | 88% | 0.88 | 83% | 0.826 | S | S | * | * | trans | -61.8 | 145.7 | 142.4 | -63 | 155.6 | 0 | 0 | 0 | 112 | ||||
| 206 | P | 43 | Very low | 37.2 | Very low | 132 Ų | 132 | 155.2 Ų | 155.2 | 86% | 0.857 | 83% | 0.834 | S | S | * | * | trans | -91.1 | 107.3 | 157.9 | 32 | -27.9 | 0 | 0 | 0 | 111.1 | ||||
| 207 | R | 35.7 | Very low | 37.2 | Very low | 233 Ų | 233 | 148.7 Ų | 148.7 | 88% | 0.879 | 83% | 0.825 | S | S | * | * | trans | -86.5 | 114.5 | 166.6 | 178.1 | -178.6 | 178.2 | 102.6 | -4.8 | 108.2 | ||||
| 208 | A | 38.8 | Very low | 36.9 | Very low | 101 Ų | 101 | 147.9 Ų | 147.9 | 84% | 0.835 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 138.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||
| 209 | Q | 39.6 | Very low | 37 | Very low | 194 Ų | 194 | 151.5 Ų | 151.5 | 91% | 0.907 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -93.8 | 148 | -172.6 | -67.4 | 169.2 | -44.4 | 0 | 0 | 111.6 | ||
| 210 | S | 36 | Very low | 37 | Very low | 118 Ų | 118 | 153.8 Ų | 153.8 | 83% | 0.825 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -85.8 | 141 | 168.5 | -179.8 | 0 | 0 | 0 | 0 | 108.8 | ||
| 211 | L | 45.3 | Very low | 36.9 | Very low | 162 Ų | 162 | 158 Ų | 158 | 85% | 0.848 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -98.4 | 145.6 | 175.5 | -89.3 | 169.7 | 0 | 0 | 0 | 111.9 | ||
| 212 | D | 41.4 | Very low | 36.1 | Very low | 145 Ų | 145 | 154.1 Ų | 154.1 | 78% | 0.775 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 144.3 | -177.7 | -54.5 | -95.1 | 0 | 0 | 0 | 114.4 | ||
| 213 | V | 36.3 | Very low | 35.3 | Very low | 134 Ų | 134 | 153.8 Ų | 153.8 | 81% | 0.812 | 83% | 0.827 | S | S | * | * | trans | -137.5 | 96.1 | 147.1 | -179.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 214 | L | 34.8 | Very low | 35.6 | Very low | 163 Ų | 163 | 150.4 Ų | 150.4 | 85% | 0.853 | 83% | 0.827 | S | S | * | * | trans | 43.1 | 111 | 140.4 | -54 | 178.3 | 0 | 0 | 0 | 119.2 | ||||
| 215 | S | 32.3 | Very low | 36.6 | Very low | 116 Ų | 116 | 145.4 Ų | 145.4 | 81% | 0.811 | 82% | 0.823 | S | S | * | * | trans | -125.2 | 128.7 | 145.5 | -67.5 | 0 | 0 | 0 | 0 | 108 | ||||
| 216 | E | 31 | Very low | 35.8 | Very low | 180 Ų | 180 | 142.7 Ų | 142.7 | 84% | 0.841 | 82% | 0.818 | S | S | * | * | trans | -157.5 | 150.8 | 148.2 | -118.9 | 179.8 | 106.3 | 0 | 0 | 111.7 | ||||
| 217 | S | 32.8 | Very low | 35.4 | Very low | 98 Ų | 98 | 141.4 Ų | 141.4 | 69% | 0.685 | 81% | 0.812 | S | S | * | * | trans | -125 | 136.4 | -169.6 | 166.8 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 218 | W | 27.6 | Very low | 35.3 | Very low | 231 Ų | 231 | 135.3 Ų | 135.3 | 88% | 0.875 | 81% | 0.806 | S | S | * | * | trans | -133 | 146.3 | 172.8 | -86.3 | 82.5 | 0 | 0 | 0 | 112.4 | ||||
| 219 | L | 33 | Very low | 35.2 | Very low | 147 Ų | 147 | 135.8 Ų | 135.8 | 77% | 0.77 | 80% | 0.803 | S | S | * | * | trans | -103.3 | -178.9 | -162.5 | -76.1 | 166.9 | 0 | 0 | 0 | 113.8 | ||||
| 220 | Q | 31.4 | Very low | 35 | Very low | 177 Ų | 177 | 131.4 Ų | 131.4 | 83% | 0.827 | 79% | 0.793 | S | S | * | * | trans | -62.4 | 139.2 | -173.4 | -64.6 | 133.8 | 25.9 | 0 | 0 | 115.8 | ||||
| 221 | D | 30.9 | Very low | 35 | Very low | 173 Ų | 173 | 130.8 Ų | 130.8 | 93% | 0.925 | 79% | 0.789 | S | S | * | * | -170.1 | 178.1 | 115.2 | -127.1 | -10.9 | 0 | 0 | 0 | 110.3 | |||||
| 222 | G | 27.8 | Very low | 34.5 | Very low | 64 Ų | 64 | 128 Ų | 128 | 66% | 0.66 | 79% | 0.789 | S | S | * | * | cis | 174.1 | 21.2 | -1.3 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 223 | A | 29.7 | Very low | 34.2 | Very low | 107 Ų | 107 | 125.8 Ų | 125.8 | 88% | 0.884 | 79% | 0.791 | S | S | * | * | trans | -142 | 146.4 | -172.7 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 224 | A | 36.4 | Very low | 34.2 | Very low | 95 Ų | 95 | 124.8 Ų | 124.8 | 79% | 0.785 | 79% | 0.79 | S | S | * | * | trans | -132.5 | -164.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 225 | P | 56.9 | Low | 34.3 | Very low | 116 Ų | 116 | 129 Ų | 129 | 75% | 0.753 | 80% | 0.795 | S | S | * | * | cis | -131.5 | 174.8 | -23.9 | 39.3 | -23.8 | 0 | 0 | 0 | 113.8 | ||||
| 226 | S | 31.2 | Very low | 34.5 | Very low | 111 Ų | 111 | 128 Ų | 128 | 78% | 0.776 | 79% | 0.788 | S | S | * | * | trans | 173.8 | 118.4 | 130.9 | 44.7 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 227 | S | 33.9 | Very low | 35.1 | Very low | 105 Ų | 105 | 127.1 Ų | 127.1 | 73% | 0.734 | 79% | 0.789 | S | S | * | * | trans | 56.1 | 142.7 | 136.8 | 62.7 | 0 | 0 | 0 | 0 | 126.3 | ||||
| 228 | S | 34.3 | Very low | 35.1 | Very low | 105 Ų | 105 | 128.7 Ų | 128.7 | 73% | 0.734 | 79% | 0.79 | S | S | * | * | trans | 81.7 | 104.8 | 153.3 | 76.8 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 229 | S | 35.6 | Very low | 35.9 | Very low | 111 Ų | 111 | 122.1 Ų | 122.1 | 78% | 0.776 | 78% | 0.779 | S | S | * | * | 80.1 | 136.6 | 87.4 | 72.9 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 230 | S | 35.4 | Very low | 36.4 | Very low | 101 Ų | 101 | 123.2 Ų | 123.2 | 71% | 0.706 | 78% | 0.784 | S | S | * | * | cis | -168.6 | 157.9 | 9.8 | 42 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 231 | S | 36.5 | Very low | 36.3 | Very low | 106 Ų | 106 | 123.1 Ų | 123.1 | 74% | 0.741 | 78% | 0.781 | S | S | * | * | trans | 57.7 | 132.4 | 142.9 | 62.9 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 232 | A | 34.7 | Very low | 36.5 | Very low | 103 Ų | 103 | 119.3 Ų | 119.3 | 85% | 0.851 | 77% | 0.768 | S | S | * | * | trans | 68.2 | 138.1 | 150 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 233 | A | 35.9 | Very low | 37.1 | Very low | 99 Ų | 99 | 122.1 Ų | 122.1 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | cis | -155.4 | 163.3 | 39.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 234 | S | 35.7 | Very low | 37.1 | Very low | 112 Ų | 112 | 126.2 Ų | 126.2 | 78% | 0.783 | 78% | 0.776 | S | S | * | * | trans | -64.7 | 152.7 | 177.6 | -39.6 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 235 | R | 37.2 | Very low | 37 | Very low | 251 Ų | 251 | 127 Ų | 127 | 95% | 0.947 | 78% | 0.776 | S | S | * | * | trans | -157.2 | 119.1 | 137.2 | -114.5 | 164.1 | -179.5 | -153.2 | -5.1 | 112.5 | ||||
| 236 | S | 35.9 | Very low | 36.3 | Very low | 95 Ų | 95 | 126.5 Ų | 126.5 | 66% | 0.664 | 78% | 0.775 | S | S | * | * | trans | -72.7 | 157.5 | 176.6 | -40.8 | 0 | 0 | 0 | 0 | 112 | ||||
| 237 | N | 45 | Very low | 36.4 | Very low | 162 Ų | 162 | 127.3 Ų | 127.3 | 87% | 0.866 | 78% | 0.781 | S | S | * | * | -163.3 | 139.6 | 112.6 | -103.8 | 13.2 | 0 | 0 | 0 | 112.3 | |||||
| 238 | D | 33 | Very low | 36.7 | Very low | 132 Ų | 132 | 128 Ų | 128 | 71% | 0.706 | 79% | 0.785 | S | S | * | * | trans | -67.6 | 142.8 | 177.3 | -80.7 | -75.8 | 0 | 0 | 0 | 113.1 | ||||
| 239 | S | 42.7 | Very low | 36.8 | Very low | 93 Ų | 93 | 128 Ų | 128 | 65% | 0.65 | 79% | 0.792 | S | S | * | * | 94 | 166.5 | 58.1 | -56.1 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 240 | I | 43.6 | Very low | 36.9 | Very low | 170 Ų | 170 | 128 Ų | 128 | 87% | 0.872 | 79% | 0.792 | S | S | * | * | trans | 88.2 | 123.1 | 175.6 | -52.6 | 164.4 | 0 | 0 | 0 | 113.6 | ||||
| 241 | F | 31.2 | Very low | 36.9 | Very low | 174 Ų | 174 | 128.7 Ų | 128.7 | 76% | 0.763 | 80% | 0.796 | S | S | * | * | cis | -160.2 | 114.1 | -3.7 | 166.5 | -89 | 0 | 0 | 0 | 107.2 | ||||
| 242 | S | 34.2 | Very low | 36.9 | Very low | 94 Ų | 94 | 128.8 Ų | 128.8 | 66% | 0.657 | 80% | 0.797 | S | S | * | * | 69.3 | 114.1 | 87.5 | -61.1 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 243 | S | 39.6 | Very low | 36.8 | Very low | 123 Ų | 123 | 129.7 Ų | 129.7 | 86% | 0.86 | 80% | 0.797 | S | S | * | * | trans | -74.8 | 155.2 | 164.4 | 41.4 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 244 | F | 29.8 | Very low | 36.7 | Very low | 192 Ų | 192 | 130.6 Ų | 130.6 | 84% | 0.842 | 80% | 0.798 | S | S | * | * | trans | -116.5 | 142.2 | 168.4 | 80.8 | -87.9 | 0 | 0 | 0 | 110.6 | ||||
| 245 | S | 33.8 | Very low | 36.6 | Very low | 112 Ų | 112 | 133.9 Ų | 133.9 | 78% | 0.783 | 81% | 0.805 | S | S | * | * | trans | -143 | 131.5 | 165.3 | -80.7 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 246 | S | 44.2 | Very low | 36.7 | Very low | 105 Ų | 105 | 131.6 Ų | 131.6 | 73% | 0.734 | 80% | 0.803 | S | S | * | * | trans | 56.4 | 133.9 | 148.4 | -53.8 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 247 | S | 32.5 | Very low | 36.4 | Very low | 129 Ų | 129 | 134.9 Ų | 134.9 | 90% | 0.902 | 81% | 0.813 | S | S | * | * | trans | -150.3 | 131.3 | 136.6 | -79.1 | 0 | 0 | 0 | 0 | 110 | ||||
| 248 | S | 40.1 | Very low | 35.7 | Very low | 118 Ų | 118 | 134.6 Ų | 134.6 | 83% | 0.825 | 81% | 0.806 | S | S | * | * | trans | -99.4 | 161.1 | 174.8 | -49.9 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 249 | A | 36.8 | Very low | 35.6 | Very low | 106 Ų | 106 | 132.3 Ų | 132.3 | 88% | 0.876 | 80% | 0.8 | S | S | * | * | trans | -145.3 | 141.9 | 157.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 250 | S | 37.7 | Very low | 35.1 | Very low | 111 Ų | 111 | 139.5 Ų | 139.5 | 78% | 0.776 | 81% | 0.813 | S | S | * | * | trans | -134.1 | 148.2 | -168.8 | -46.4 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 251 | S | 34.5 | Very low | 34.8 | Very low | 115 Ų | 115 | 142.8 Ų | 142.8 | 80% | 0.804 | 82% | 0.815 | S | S | * | * | trans | 177.1 | 117 | 151.7 | -76.6 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 252 | S | 37.3 | Very low | 35.6 | Very low | 108 Ų | 108 | 140.3 Ų | 140.3 | 76% | 0.755 | 82% | 0.816 | S | S | * | * | cis | 95.9 | 107 | 42.8 | 71.7 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 253 | S | 31.2 | Very low | 35.6 | Very low | 123 Ų | 123 | 142.6 Ų | 142.6 | 86% | 0.86 | 82% | 0.821 | S | S | * | * | trans | 177 | 139.7 | 135.7 | 53.6 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 254 | S | 35.1 | Very low | 36 | Very low | 118 Ų | 118 | 141.6 Ų | 141.6 | 83% | 0.825 | 81% | 0.812 | S | S | * | * | trans | -123 | 139.4 | 176 | -56.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 255 | L | 33.9 | Very low | 36.1 | Very low | 180 Ų | 180 | 138.3 Ų | 138.3 | 94% | 0.942 | 81% | 0.807 | S | S | * | * | trans | -147.1 | 147.9 | 154.1 | -79.5 | -175.5 | 0 | 0 | 0 | 110.9 | ||||
| 256 | K | 38.1 | Very low | 36 | Very low | 204 Ų | 204 | 143.3 Ų | 143.3 | 89% | 0.887 | 81% | 0.809 | S | S | * | * | trans | -80.9 | 156.6 | 167.1 | -63 | 171.8 | 169.7 | -177.3 | 0 | 109.7 | ||||
| 257 | D | 29.7 | Very low | 35.5 | Very low | 164 Ų | 164 | 142.8 Ų | 142.8 | 88% | 0.877 | 81% | 0.805 | S | S | * | * | -160.1 | 173.5 | 123 | -154.9 | -147.2 | 0 | 0 | 0 | 112.7 | |||||
| 258 | E | 30.9 | Very low | 35.8 | Very low | 156 Ų | 156 | 141.3 Ų | 141.3 | 73% | 0.729 | 80% | 0.795 | S | S | * | * | trans | -121.3 | 170 | -165.3 | -158.2 | -165.5 | 75.6 | 0 | 0 | 113 | ||||
| 259 | S | 31 | Very low | 35.7 | Very low | 84 Ų | 84 | 147.4 Ų | 147.4 | 59% | 0.587 | 80% | 0.8 | S | S | * | * | trans | 80.2 | 117.9 | 146.8 | -90.7 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 260 | R | 32 | Very low | 35.7 | Very low | 243 Ų | 243 | 148.4 Ų | 148.4 | 92% | 0.917 | 80% | 0.801 | S | S | * | * | trans | 114.3 | 138.1 | 143.2 | -65.8 | 170.4 | -169.5 | -110.1 | -1.6 | 120.4 | ||||
| 261 | R | 37.2 | Very low | 35.7 | Very low | 240 Ų | 240 | 148.3 Ų | 148.3 | 91% | 0.906 | 80% | 0.8 | S | S | * | * | trans | -83.2 | 178.9 | -179 | -69.6 | -179.4 | 171.5 | -167.4 | -2.8 | 111.5 | ||||
| 262 | P | 48.4 | Very low | 35.9 | Very low | 121 Ų | 121 | 150.3 Ų | 150.3 | 79% | 0.786 | 81% | 0.807 | S | S | * | * | cis | -141.2 | 176.8 | 14.8 | 40.8 | -20 | 0 | 0 | 0 | 119.5 | ||||
| 263 | D | 33.6 | Very low | 35.7 | Very low | 143 Ų | 143 | 148.6 Ų | 148.6 | 77% | 0.765 | 81% | 0.807 | S | S | * | * | trans | -25.6 | 155.8 | 153.6 | -108.8 | -64.5 | 0 | 0 | 0 | 117.4 | T265 | D263-T265 PolarHBondContact OD1-N 3.47Š| ||
| 264 | P | 48.9 | Very low | 36.1 | Very low | 102 Ų | 102 | 148.9 Ų | 148.9 | 66% | 0.662 | 81% | 0.809 | S | S | * | * | -153.3 | 144.3 | 71.6 | 38 | -17.1 | 0 | 0 | 0 | 120.3 | |||||
| 265 | T | 31.5 | Very low | 36.3 | Very low | 122 Ų | 122 | 148.7 Ų | 148.7 | 75% | 0.748 | 81% | 0.808 | S | S | * | * | trans | 66 | 141.9 | 145 | 65 | 0 | 0 | 0 | 0 | 118.1 | D263 | D263-T265 PolarHBondContact OD1-N 3.47Š| ||
| 266 | R | 32.3 | Very low | 36.7 | Very low | 217 Ų | 217 | 152.4 Ų | 152.4 | 82% | 0.819 | 81% | 0.809 | S | S | * | * | 178.9 | 141.5 | 53.1 | -173.1 | 176.2 | 161.5 | -102.6 | 6.9 | 110 | |||||
| 267 | S | 33.4 | Very low | 36.8 | Very low | 94 Ų | 94 | 147.9 Ų | 147.9 | 66% | 0.657 | 80% | 0.803 | S | S | * | * | trans | 58.5 | 145 | 158.7 | 50.9 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 268 | S | 38.1 | Very low | 37.4 | Very low | 99 Ų | 99 | 145.1 Ų | 145.1 | 69% | 0.692 | 80% | 0.803 | S | S | * | * | cis | -170.3 | 143.1 | -3.4 | 39.4 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 269 | R | 37.5 | Very low | 37.6 | Very low | 246 Ų | 246 | 141 Ų | 141 | 93% | 0.928 | 80% | 0.803 | S | S | * | * | trans | 31.3 | 121.6 | 140.9 | -65 | 174 | 154.7 | -170.6 | -8 | 120.2 | ||||
| 270 | S | 38.2 | Very low | 38.2 | Very low | 127 Ų | 127 | 143.5 Ų | 143.5 | 89% | 0.888 | 81% | 0.814 | S | S | * | * | -161.4 | 150.5 | 113 | 59.7 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 271 | S | 37.6 | Very low | 38.5 | Very low | 108 Ų | 108 | 140 Ų | 140 | 76% | 0.755 | 81% | 0.814 | S | S | * | * | trans | -135.3 | 125.3 | -168.5 | 54.2 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 272 | T | 37.2 | Very low | 38.6 | Very low | 157 Ų | 157 | 131.7 Ų | 131.7 | 96% | 0.963 | 80% | 0.802 | S | S | * | * | trans | -178.1 | 148.4 | 156 | 20.6 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 273 | G | 34.5 | Very low | 38.5 | Very low | 72 Ų | 72 | 131.7 Ų | 131.7 | 74% | 0.742 | 81% | 0.805 | S | S | * | * | cis | -166.9 | 165.9 | -2.4 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 274 | S | 39.9 | Very low | 39.2 | Very low | 129 Ų | 129 | 133.2 Ų | 133.2 | 90% | 0.902 | 81% | 0.808 | S | S | * | * | trans | -78.4 | 144.4 | -169.3 | -47 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 275 | S | 37.5 | Very low | 39.5 | Very low | 115 Ų | 115 | 133.6 Ų | 133.6 | 80% | 0.804 | 81% | 0.811 | S | S | * | * | trans | -153.8 | 124.7 | 139.2 | 52.7 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 276 | R | 43.7 | Very low | 40.6 | Very low | 257 Ų | 257 | 132.1 Ų | 132.1 | 97% | 0.97 | 81% | 0.811 | S | S | * | * | trans | -93.1 | 129.6 | 168.2 | -75.3 | 169.9 | 153.7 | -171.9 | -8.3 | 107.8 | ||||
| 277 | S | 39 | Very low | 41.9 | Very low | 110 Ų | 110 | 127.4 Ų | 127.4 | 77% | 0.769 | 81% | 0.808 | S | S | * | * | trans | -128.6 | 123.6 | 165.9 | 18 | 0 | 0 | 0 | 0 | 108.5 | G279 | S277-G279 PolarHBondContact O-N 3.43Š| ||
| 278 | A | 43.9 | Very low | 43.5 | Very low | 106 Ų | 106 | 125.9 Ų | 125.9 | 88% | 0.876 | 80% | 0.801 | S | S | * | * | trans | -71.6 | 115.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | T280 | A278-T280 PolarHBondContact O-N 3.05Š| ||
| 279 | G | 34.8 | Very low | 44.9 | Very low | 70 Ų | 70 | 123.1 Ų | 123.1 | 72% | 0.722 | 78% | 0.781 | S | S | * | * | trans | -72.8 | 121.4 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | S277 | S277-G279 PolarHBondContact O-N 3.43Š| ||
| 280 | T | 42.4 | Very low | 46.5 | Very low | 135 Ų | 135 | 117 Ų | 117 | 83% | 0.828 | 78% | 0.776 | S | S | * | * | trans | -66.1 | 131.8 | 166.2 | 47.9 | 0 | 0 | 0 | 0 | 109.4 | A278 G282 | A278-T280 PolarHBondContact O-N 3.05Å; T280-G282 VanDerWaalsContact C-N 3.3Å; T280-G282 PolarHBondContact O-N 2.81Å | ||
| 281 | N | 39.8 | Very low | 47.9 | Very low | 171 Ų | 171 | 113.5 Ų | 113.5 | 91% | 0.914 | 75% | 0.749 | S | S | * | * | trans | -66.2 | 89.3 | 170.1 | -79.4 | -1.1 | 0 | 0 | 0 | 109.8 | ||||
| 282 | G | 37.8 | Very low | 49.2 | Very low | 64 Ų | 64 | 110.8 Ų | 110.8 | 66% | 0.66 | 73% | 0.729 | S | S | * | * | trans | -82.7 | 120.4 | 159.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | T280 E284 | T280-G282 VanDerWaalsContact C-N 3.3Å; T280-G282 PolarHBondContact O-N 2.81Å; G282-E284 PolarHBondContact O-N 2.88Å; G282-E284 VanDerWaalsContact O-N 3.08Å | ||
| 283 | S | 47.5 | Very low | 50.6 | Low | 121 Ų | 121 | 114.8 Ų | 114.8 | 85% | 0.846 | 73% | 0.726 | S | S | * | * | trans | -62.4 | 109.8 | 170.2 | -54.7 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 284 | E | 48.2 | Very low | 52.1 | Low | 175 Ų | 175 | 119 Ų | 119 | 82% | 0.818 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 122.1 | 175.3 | -170.7 | 172.5 | 106.9 | 0 | 0 | 108.8 | G282 A286 | G282-E284 PolarHBondContact O-N 2.88Å; G282-E284 VanDerWaalsContact O-N 3.08Å; E284-A286 PolarHBondContact O-N 2.87Å |
| 285 | P | 55.4 | Low | 53.2 | Low | 111 Ų | 111 | 116.2 Ų | 116.2 | 72% | 0.721 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 136.4 | 175 | 27.9 | -33.1 | 0 | 0 | 0 | 109 | ||
| 286 | A | 53.2 | Low | 54.8 | Low | 91 Ų | 91 | 114.4 Ų | 114.4 | 75% | 0.752 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -51.6 | 141.8 | -176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | E284 A288 | E284-A286 PolarHBondContact O-N 2.87Å; A286-A288 PolarHBondContact O-N 3.25Å; A286-A288 VanDerWaalsContact O-N 3.11Å |
| 287 | P | 61.3 | Low | 55.9 | Low | 118 Ų | 118 | 106.5 Ų | 106.5 | 77% | 0.766 | 66% | 0.66 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 119 | -176.1 | 24.1 | -33.9 | 0 | 0 | 0 | 110.5 | ||
| 288 | A | 65.3 | Low | 57.1 | Low | 61 Ų | 61 | 106.9 Ų | 106.9 | 50% | 0.504 | 65% | 0.65 | S | S | . | * | P | Polyproline II helix | trans | -58.6 | 135.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111 | A286 | A286-A288 PolarHBondContact O-N 3.25Å; A286-A288 VanDerWaalsContact O-N 3.11Å |
| 289 | P | 68.6 | Low | 58.2 | Low | 42 Ų | 42 | 106.1 Ų | 106.1 | 27% | 0.273 | 63% | 0.628 | S | S | . | * | P | Polyproline II helix | trans | -66.7 | 148.7 | -173.4 | 22.7 | -29 | 0 | 0 | 0 | 111.8 | V35 P82 Y83 V291 | V35-P289 HydrophobicContact CG2-CG 4.34Å; P82-P289 HydrophobicContact CB-CB 3.83Å; P82-P289 HydrophobicContact CB-CG 4.13Å; P82-P289 WeakPolarHBondContact O-CG 3.37Å; Y83-P289 HydrophobicContact CD2-CG 3.79Å; Y83-P289 HydrophobicContact CE2-CG 3.76Å; Y83-P289 VanDerWaalsContact CE2-O 3.24Å; Y83-P289 WeakPolarHBondContact CE2-O 3.32Å; Y83-P289 HydrophobicContact CG-CG 4.29Å; Y83-P289 PolarHBondContact OH-O 3.2Å; P289-V291 PolarHBondContact O-N 3.06Å; P289-V291 VanDerWaalsContact O-N 3.08Å |
| 290 | S | 70.1 | Confident | 59.8 | Low | 117 Ų | 117 | 105.4 Ų | 105.4 | 82% | 0.818 | 61% | 0.607 | S | S | * | * | trans | -68.2 | 109.5 | -174.9 | -73.4 | 0 | 0 | 0 | 0 | 112.3 | P292 | S290-P292 WeakPolarHBondContact O-CD 3.47Š| ||
| 291 | V | 68.3 | Low | 60.7 | Low | 53 Ų | 53 | 100.1 Ų | 100.1 | 32% | 0.321 | 57% | 0.574 | S | S | . | * | P | Polyproline II helix | trans | -66.2 | 123.8 | 176.8 | -177.2 | 0 | 0 | 0 | 0 | 110.7 | Y38 W66 P80 Y83 P289 R293 | Y38-V291 HydrophobicContact CE2-CG2 4.26Å; W66-V291 HydrophobicContact CH2-CG1 4.37Å; W66-V291 HydrophobicContact CZ2-CG1 4.21Å; P80-V291 HydrophobicContact CB-CG1 4.24Å; Y83-V291 HydrophobicContact CD2-CG2 4.24Å; Y83-V291 HydrophobicContact CE2-CG2 3.3Å; P289-V291 PolarHBondContact O-N 3.06Å; P289-V291 VanDerWaalsContact O-N 3.08Å; V291-R293 PolarHBondContact O-N 2.81Å |
| 292 | P | 64.6 | Low | 62 | Low | 51 Ų | 51 | 97.2 Ų | 97.2 | 33% | 0.331 | 56% | 0.562 | S | S | . | * | P | Polyproline II helix | trans | -60.4 | 129.6 | 169.2 | -21 | 32.8 | 0 | 0 | 0 | 110.4 | W66 S290 R294 | W66-P292 WeakPolarHBondContact CZ2-O 3.46Å; S290-P292 WeakPolarHBondContact O-CD 3.47Å; P292-R294 PolarHBondContact O-N 2.74Å; P292-R294 VanDerWaalsContact O-N 3.14Å |
| 293 | R | 67.8 | Low | 63.2 | Low | 242 Ų | 242 | 103.1 Ų | 103.1 | 91% | 0.913 | 56% | 0.564 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 122.7 | 179.3 | -70.8 | -170.4 | 177.5 | -158.5 | -0.5 | 109.9 | V291 | V291-R293 PolarHBondContact O-N 2.81Š|
| 294 | R | 65.4 | Low | 63.7 | Low | 160 Ų | 160 | 99.5 Ų | 99.5 | 60% | 0.604 | 54% | 0.539 | S | S | * | . | P | Polyproline II helix | trans | -57.6 | 126.7 | 173.2 | -174.2 | 175.8 | -178.2 | 152.1 | 3.5 | 108.8 | W66 P292 | W66-R294 HydrophobicContact CH2-CB 4.32Å; W66-R294 HydrophobicContact CZ2-CB 3.76Å; W66-R294 HydrophobicContact CZ2-CG 4.42Å; P292-R294 PolarHBondContact O-N 2.74Å; P292-R294 VanDerWaalsContact O-N 3.14Å |
| 295 | P | 61.9 | Low | 64.8 | Low | 70 Ų | 70 | 94.9 Ų | 94.9 | 46% | 0.455 | 53% | 0.525 | S | S | . | . | P | Polyproline II helix | trans | -62 | 143 | -179.7 | 23.1 | -32.3 | 0 | 0 | 0 | 111 | I300 | P295-I300 HydrophobicContact CB-CG1 4.35Å; P295-I300 HydrophobicContact CG-CD1 4.29Å; P295-I300 HydrophobicContact CG-CG1 4.43Å |
| 296 | D | 71.6 | Confident | 65.3 | Low | 78 Ų | 78 | 94.7 Ų | 94.7 | 42% | 0.417 | 52% | 0.522 | S | S | . | . | P | Polyproline II helix | trans | -70.6 | 147.6 | -179.8 | 178 | 42.3 | 0 | 0 | 0 | 111.6 | Q298 E299 I300 | D296-Q298 PolarHBondContact O-N 3.34Å; D296-Q298 VanDerWaalsContact O-N 3.15Å; D296-Q298 VanDerWaalsContact OD2-CB 3.24Å; D296-Q298 WeakPolarHBondContact OD2-CB 3.14Å; D296-Q298 VanDerWaalsContact OD2-CG 3.29Å; D296-Q298 WeakPolarHBondContact OD2-CG 3.36Å; D296-Q298 PolarHBondContact OD2-N 3.09Å; D296-Q298 VanDerWaalsContact OD2-N 3.07Å; D296-E299 PolarHBondContact O-N 3.06Å; D296-I300 WeakPolarHBondContact O-CG1 3.43Å; D296-I300 PolarHBondContact O-N 2.95Å; D296-I300 VanDerWaalsContact O-N 3.09Å |
| 297 | T | 66.6 | Low | 65.5 | Low | 90 Ų | 90 | 97.3 Ų | 97.3 | 55% | 0.552 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -49.7 | -35 | 173.3 | 58.1 | 0 | 0 | 0 | 0 | 113.3 | L301 | T297-L301 WeakPolarHBondContact O-CD1 3.35Å; T297-L301 VanDerWaalsContact O-CG 3.23Å; T297-L301 WeakPolarHBondContact O-CG 3.4Å; T297-L301 PolarHBondContact O-N 3.1Å; T297-L301 VanDerWaalsContact O-N 3.12Å |
| 298 | Q | 64.1 | Low | 65.8 | Low | 118 Ų | 118 | 94.7 Ų | 94.7 | 55% | 0.551 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -73.1 | -39.2 | 178.3 | -56.3 | -168.3 | 22.3 | 0 | 0 | 112.2 | D296 L301 V302 | D296-Q298 PolarHBondContact O-N 3.34Å; D296-Q298 VanDerWaalsContact O-N 3.15Å; D296-Q298 VanDerWaalsContact OD2-CB 3.24Å; D296-Q298 WeakPolarHBondContact OD2-CB 3.14Å; D296-Q298 VanDerWaalsContact OD2-CG 3.29Å; D296-Q298 WeakPolarHBondContact OD2-CG 3.36Å; D296-Q298 PolarHBondContact OD2-N 3.09Å; D296-Q298 VanDerWaalsContact OD2-N 3.07Å; Q298-L301 PolarHBondContact O-N 2.96Å; Q298-V302 WeakPolarHBondContact O-CG2 3.39Å; Q298-V302 PolarHBondContact O-N 2.55Å; Q298-V302 VanDerWaalsContact O-N 3.1Å |
| 299 | E | 68.4 | Low | 65.9 | Low | 91 Ų | 91 | 96.9 Ų | 96.9 | 43% | 0.425 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.6 | -39.2 | 175.3 | -69.5 | -159.2 | 102.4 | 0 | 0 | 112.3 | D296 L301 V302 R303 | D296-E299 PolarHBondContact O-N 3.06Å; E299-L301 VanDerWaalsContact C-N 3.35Å; E299-V302 PolarHBondContact O-N 2.67Å; E299-R303 PolarHBondContact O-N 2.78Å; E299-R303 IonicContact OE1-CZ 3.5Å; E299-R303 IonicContact OE1-NH1 2.7Å; E299-R303 PolarHBondContact OE1-NH1 2.85Å; E299-R303 IonicContact OE1-NH2 3.82Å |
| 300 | I | 68.4 | Low | 65.7 | Low | 54 Ų | 54 | 101.9 Ų | 101.9 | 28% | 0.277 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61 | -44.9 | 175.2 | -64.3 | 167.3 | 0 | 0 | 0 | 110.1 | P295 D296 V302 C304 T308 | P295-I300 HydrophobicContact CB-CG1 4.35Å; P295-I300 HydrophobicContact CG-CD1 4.29Å; P295-I300 HydrophobicContact CG-CG1 4.43Å; D296-I300 WeakPolarHBondContact O-CG1 3.43Å; D296-I300 PolarHBondContact O-N 2.95Å; D296-I300 VanDerWaalsContact O-N 3.09Å; I300-V302 VanDerWaalsContact C-N 3.29Å; I300-V302 PolarHBondContact O-N 3.29Å; I300-C304 WeakPolarHBondContact O-CB 3.45Å; I300-C304 PolarHBondContact O-N 3.25Å; I300-C304 PolarHBondContact O-SG 2.91Å; I300-T308 HydrophobicContact CG2-CG2 4.44Å |
| 301 | L | 60 | Low | 65.3 | Low | 25 Ų | 25 | 99.6 Ų | 99.6 | 13% | 0.131 | 50% | 0.504 | C | S | . | . | H | α-helix | trans | -62 | -35.7 | 177.2 | -74 | 167 | 0 | 0 | 0 | 112.6 | T297 Q298 E299 R309 A312 L313 | T297-L301 WeakPolarHBondContact O-CD1 3.35Å; T297-L301 VanDerWaalsContact O-CG 3.23Å; T297-L301 WeakPolarHBondContact O-CG 3.4Å; T297-L301 PolarHBondContact O-N 3.1Å; T297-L301 VanDerWaalsContact O-N 3.12Å; Q298-L301 PolarHBondContact O-N 2.96Å; E299-L301 VanDerWaalsContact C-N 3.35Å; L301-R309 HydrophobicContact CD2-CG 3.85Å; L301-R309 VanDerWaalsContact O-CZ 3.28Å; L301-R309 PolarHBondContact O-NE 3.28Å; L301-R309 PolarHBondContact O-NH2 2.97Å; L301-R309 VanDerWaalsContact O-NH2 3.08Å; L301-A312 HydrophobicContact CD2-CB 3.66Å; L301-A312 HydrophobicContact CG-CB 4.31Å; L301-L313 HydrophobicContact CD1-CD2 4.34Å; L301-L313 HydrophobicContact CD2-CD2 4.02Å; L301-L313 HydrophobicContact CD2-CG 3.82Å |
| 302 | V | 66.9 | Low | 64.9 | Low | 110 Ų | 110 | 98.5 Ų | 98.5 | 67% | 0.667 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -74.5 | -47.8 | 178.6 | 172.1 | 0 | 0 | 0 | 0 | 111.9 | Q298 E299 I300 R309 | Q298-V302 WeakPolarHBondContact O-CG2 3.39Å; Q298-V302 PolarHBondContact O-N 2.55Å; Q298-V302 VanDerWaalsContact O-N 3.1Å; E299-V302 PolarHBondContact O-N 2.67Å; I300-V302 VanDerWaalsContact C-N 3.29Å; I300-V302 PolarHBondContact O-N 3.29Å; V302-R309 PolarHBondContact O-NH2 3.09Å |
| 303 | R | 63.9 | Low | 64.7 | Low | 188 Ų | 188 | 99.9 Ų | 99.9 | 71% | 0.709 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -89 | -21.4 | -171.6 | -68.6 | -165 | 178.3 | 93.5 | -1.4 | 115.9 | E299 | E299-R303 PolarHBondContact O-N 2.78Å; E299-R303 IonicContact OE1-CZ 3.5Å; E299-R303 IonicContact OE1-NH1 2.7Å; E299-R303 PolarHBondContact OE1-NH1 2.85Å; E299-R303 IonicContact OE1-NH2 3.82Å |
| 304 | C | 58.3 | Low | 64.4 | Low | 45 Ų | 45 | 91.4 Ų | 91.4 | 30% | 0.304 | 49% | 0.486 | S | S | . | . | S | Bend | trans | -87.9 | 159.4 | -176.3 | -59.7 | 0 | 0 | 0 | 0 | 113.8 | I300 T308 | I300-C304 WeakPolarHBondContact O-CB 3.45Å; I300-C304 PolarHBondContact O-N 3.25Å; I300-C304 PolarHBondContact O-SG 2.91Å; C304-T308 HydrophobicContact CB-CG2 3.7Å |
| 305 | S | 69.8 | Low | 64 | Low | 77 Ų | 77 | 87.3 Ų | 87.3 | 54% | 0.538 | 48% | 0.482 | S | S | . | . | trans | -64.3 | 165.4 | -179.9 | 75.8 | 0 | 0 | 0 | 0 | 113 | M307 T308 R309 | S305-M307 PolarHBondContact O-N 2.87Å; S305-T308 PolarHBondContact O-N 3.02Å; S305-T308 VanDerWaalsContact O-N 3.09Å; S305-R309 PolarHBondContact O-N 3Å | ||
| 306 | T | 66 | Low | 63.7 | Low | 108 Ų | 108 | 91.3 Ų | 91.3 | 66% | 0.663 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -56.3 | -28.2 | -174.6 | -18.6 | 0 | 0 | 0 | 0 | 113.8 | K310 | T306-K310 WeakPolarHBondContact O-CG 3.38Å; T306-K310 PolarHBondContact O-N 2.8Å |
| 307 | M | 57.3 | Low | 62.8 | Low | 145 Ų | 145 | 92.9 Ų | 92.9 | 71% | 0.714 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -70.2 | -52.9 | 175 | -76.3 | -100.1 | 64.3 | 0 | 0 | 111.7 | S305 R309 K310 A311 | S305-M307 PolarHBondContact O-N 2.87Å; M307-R309 VanDerWaalsContact C-N 3.3Å; M307-R309 PolarHBondContact O-N 2.96Å; M307-K310 PolarHBondContact O-N 3.33Å; M307-A311 PolarHBondContact O-N 2.83Å; M307-A311 VanDerWaalsContact O-N 3.07Å |
| 308 | T | 69.6 | Low | 61.9 | Low | 64 Ų | 64 | 99.3 Ų | 99.3 | 39% | 0.393 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.4 | -38.9 | 178.5 | -46 | 0 | 0 | 0 | 0 | 111.4 | I300 C304 S305 K310 A311 A312 | I300-T308 HydrophobicContact CG2-CG2 4.44Å; C304-T308 HydrophobicContact CB-CG2 3.7Å; S305-T308 PolarHBondContact O-N 3.02Å; S305-T308 VanDerWaalsContact O-N 3.09Å; T308-K310 PolarHBondContact O-N 2.95Å; T308-A311 PolarHBondContact O-N 3.38Å; T308-A312 WeakPolarHBondContact O-CB 3.3Å; T308-A312 PolarHBondContact O-N 3.1Å |
| 309 | R | 65.6 | Low | 60.9 | Low | 107 Ų | 107 | 100.8 Ų | 100.8 | 40% | 0.404 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -59.6 | -43.6 | 174.6 | -170.7 | -179.5 | -66.4 | 177 | 2 | 111.9 | L301 V302 S305 M307 L313 | L301-R309 HydrophobicContact CD2-CG 3.85Å; L301-R309 VanDerWaalsContact O-CZ 3.28Å; L301-R309 PolarHBondContact O-NE 3.28Å; L301-R309 PolarHBondContact O-NH2 2.97Å; L301-R309 VanDerWaalsContact O-NH2 3.08Å; V302-R309 PolarHBondContact O-NH2 3.09Å; S305-R309 PolarHBondContact O-N 3Å; M307-R309 VanDerWaalsContact C-N 3.3Å; M307-R309 PolarHBondContact O-N 2.96Å; R309-L313 HydrophobicContact CG-CD1 4.11Å; R309-L313 WeakPolarHBondContact O-CB 3.33Å; R309-L313 VanDerWaalsContact O-CG 3.29Å; R309-L313 WeakPolarHBondContact O-CG 3.46Å; R309-L313 PolarHBondContact O-N 2.87Å |
| 310 | K | 65.3 | Low | 59.5 | Low | 146 Ų | 146 | 104 Ų | 104 | 64% | 0.635 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -64 | -42.1 | 175.8 | -81.1 | -176.9 | 173.2 | -174.5 | 0 | 112.4 | T306 M307 T308 L313 A314 | T306-K310 WeakPolarHBondContact O-CG 3.38Å; T306-K310 PolarHBondContact O-N 2.8Å; M307-K310 PolarHBondContact O-N 3.33Å; T308-K310 PolarHBondContact O-N 2.95Å; K310-L313 PolarHBondContact O-N 3.21Å; K310-A314 WeakPolarHBondContact O-CB 3.3Å; K310-A314 PolarHBondContact O-N 3.12Å |
| 311 | A | 61.1 | Low | 58.3 | Low | 69 Ų | 69 | 106.9 Ų | 106.9 | 57% | 0.57 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -63.9 | -43 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | M307 T308 A314 S315 | M307-A311 PolarHBondContact O-N 2.83Å; M307-A311 VanDerWaalsContact O-N 3.07Å; T308-A311 PolarHBondContact O-N 3.38Å; A311-A314 PolarHBondContact O-N 3.39Å; A311-S315 PolarHBondContact O-N 2.84Å |
| 312 | A | 59.8 | Low | 57.2 | Low | 30 Ų | 30 | 114.2 Ų | 114.2 | 25% | 0.248 | 60% | 0.596 | C | S | . | * | H | α-helix | trans | -69.8 | -34.4 | 177 | 0 | 0 | 0 | 0 | 0 | 113.2 | L301 T308 S315 | L301-A312 HydrophobicContact CD2-CB 3.66Å; L301-A312 HydrophobicContact CG-CB 4.31Å; T308-A312 WeakPolarHBondContact O-CB 3.3Å; T308-A312 PolarHBondContact O-N 3.1Å; A312-S315 PolarHBondContact O-OG 3.06Å |
| 313 | L | 61.9 | Low | 56.1 | Low | 80 Ų | 80 | 113.4 Ų | 113.4 | 42% | 0.419 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -69.6 | -36.3 | 173.6 | -71.8 | 172.1 | 0 | 0 | 0 | 112.1 | L301 R309 K310 S315 R316 T317 | L301-L313 HydrophobicContact CD1-CD2 4.34Å; L301-L313 HydrophobicContact CD2-CD2 4.02Å; L301-L313 HydrophobicContact CD2-CG 3.82Å; R309-L313 HydrophobicContact CG-CD1 4.11Å; R309-L313 WeakPolarHBondContact O-CB 3.33Å; R309-L313 VanDerWaalsContact O-CG 3.29Å; R309-L313 WeakPolarHBondContact O-CG 3.46Å; R309-L313 PolarHBondContact O-N 2.87Å; K310-L313 PolarHBondContact O-N 3.21Å; L313-S315 VanDerWaalsContact C-N 3.26Å; L313-S315 PolarHBondContact O-N 2.75Å; L313-R316 WeakPolarHBondContact O-CB 3.26Å; L313-R316 PolarHBondContact O-N 2.95Å; L313-T317 PolarHBondContact O-N 2.91Å; L313-T317 PolarHBondContact O-OG1 3.45Å |
| 314 | A | 60.3 | Low | 55 | Low | 65 Ų | 65 | 110.5 Ų | 110.5 | 54% | 0.537 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -61.6 | -31.4 | 177 | 0 | 0 | 0 | 0 | 0 | 113.3 | K310 A311 | K310-A314 WeakPolarHBondContact O-CB 3.3Å; K310-A314 PolarHBondContact O-N 3.12Å; A311-A314 PolarHBondContact O-N 3.39Å |
| 315 | S | 57.3 | Low | 54.6 | Low | 74 Ų | 74 | 114 Ų | 114 | 52% | 0.517 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -74.4 | -26 | 173.2 | 69.2 | 0 | 0 | 0 | 0 | 113 | A311 A312 L313 | A311-S315 PolarHBondContact O-N 2.84Å; A312-S315 PolarHBondContact O-OG 3.06Å; L313-S315 VanDerWaalsContact C-N 3.26Å; L313-S315 PolarHBondContact O-N 2.75Å |
| 316 | R | 56 | Low | 53.6 | Low | 154 Ų | 154 | 116.9 Ų | 116.9 | 58% | 0.581 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -74.2 | -37.2 | 178.1 | -162.1 | 171.7 | -179.8 | 160.5 | -0.4 | 112.4 | L313 R318 L319 | L313-R316 WeakPolarHBondContact O-CB 3.26Å; L313-R316 PolarHBondContact O-N 2.95Å; R316-R318 PolarHBondContact O-N 3.16Å; R316-L319 PolarHBondContact O-N 3.27Å |
| 317 | T | 52 | Low | 52.7 | Low | 110 Ų | 110 | 119.8 Ų | 119.8 | 68% | 0.675 | 64% | 0.642 | S | S | * | * | G | 310 helix | trans | -68.9 | -16.2 | 176.3 | -28.6 | 0 | 0 | 0 | 0 | 113.3 | L313 | L313-T317 PolarHBondContact O-N 2.91Å; L313-T317 PolarHBondContact O-OG1 3.45Å |
| 318 | R | 48.8 | Very low | 52 | Low | 225 Ų | 225 | 118.6 Ų | 118.6 | 85% | 0.849 | 65% | 0.648 | S | S | * | * | G | 310 helix | trans | -86 | -6.7 | -179.3 | -154.3 | 176.8 | -168.4 | -131.4 | 0.6 | 114.2 | R316 | R316-R318 PolarHBondContact O-N 3.16Š|
| 319 | L | 43 | Very low | 50.9 | Low | 150 Ų | 150 | 126.3 Ų | 126.3 | 79% | 0.785 | 67% | 0.67 | S | S | * | * | G | 310 helix | trans | -115.8 | 12.4 | -176.7 | -68.1 | 176.3 | 0 | 0 | 0 | 113.8 | R316 P321 | R316-L319 PolarHBondContact O-N 3.27Å; L319-P321 WeakPolarHBondContact O-CD 3.46Å |
| 320 | Q | 39.2 | Very low | 50 | Low | 159 Ų | 159 | 132.9 Ų | 132.9 | 74% | 0.743 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -86.3 | 116.9 | 170.9 | -168.1 | 156.9 | 8.8 | 0 | 0 | 109.1 | Q322 | Q320-Q322 PolarHBondContact O-N 3.06Š|
| 321 | P | 41.7 | Very low | 49.3 | Very low | 114 Ų | 114 | 132.3 Ų | 132.3 | 74% | 0.74 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 136.7 | 169.7 | -16.6 | 30.6 | 0 | 0 | 0 | 108.6 | L319 A323 | L319-P321 WeakPolarHBondContact O-CD 3.46Å; P321-A323 PolarHBondContact O-N 3.05Å |
| 322 | Q | 38.1 | Very low | 48.7 | Very low | 178 Ų | 178 | 135.6 Ų | 135.6 | 83% | 0.832 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 121.3 | 163 | -78.7 | -132.5 | -92.1 | 0 | 0 | 108 | Q320 D324 | Q320-Q322 PolarHBondContact O-N 3.06Å; Q322-D324 PolarHBondContact O-N 3.42Å |
| 323 | A | 42.4 | Very low | 48 | Very low | 93 Ų | 93 | 141.4 Ų | 141.4 | 77% | 0.769 | 75% | 0.75 | S | S | * | * | trans | -81.1 | 109.2 | 161.4 | 0 | 0 | 0 | 0 | 0 | 107.1 | P321 | P321-A323 PolarHBondContact O-N 3.05Š| ||
| 324 | D | 42.6 | Very low | 47.2 | Very low | 128 Ų | 128 | 145.1 Ų | 145.1 | 68% | 0.684 | 77% | 0.769 | S | S | * | * | trans | -63.6 | 132.9 | 175.2 | -70.5 | -49.7 | 0 | 0 | 0 | 110.5 | Q322 V326 | Q322-D324 PolarHBondContact O-N 3.42Å; D324-V326 PolarHBondContact O-N 3.14Å | ||
| 325 | P | 48.4 | Very low | 46.4 | Very low | 119 Ų | 119 | 150.1 Ų | 150.1 | 77% | 0.773 | 78% | 0.784 | S | S | * | * | trans | -76.3 | 91.7 | 174.8 | 30.9 | -32.9 | 0 | 0 | 0 | 109.8 | H327 | P325-H327 PolarHBondContact O-N 3.12Š| ||
| 326 | V | 49.7 | Very low | 45.7 | Very low | 137 Ų | 137 | 155.1 Ų | 155.1 | 83% | 0.83 | 80% | 0.801 | S | S | * | * | trans | -66.2 | 127.6 | 172.7 | -177.6 | 0 | 0 | 0 | 0 | 109.7 | D324 S328 | D324-V326 PolarHBondContact O-N 3.14Å; V326-S328 PolarHBondContact O-N 2.96Å | ||
| 327 | H | 47.5 | Very low | 45 | Very low | 168 Ų | 168 | 155.2 Ų | 155.2 | 78% | 0.778 | 82% | 0.817 | S | S | * | * | trans | -53.8 | 127.6 | -178.8 | -76.5 | -108 | 0 | 0 | 0 | 113 | P325 R329 | P325-H327 PolarHBondContact O-N 3.12Å; H327-R329 PolarHBondContact O-N 3.19Å | ||
| 328 | S | 42.4 | Very low | 44.4 | Very low | 121 Ų | 121 | 158.7 Ų | 158.7 | 85% | 0.846 | 83% | 0.828 | S | S | * | * | trans | -86.4 | 102.4 | 155.9 | -162 | 0 | 0 | 0 | 0 | 109.3 | V326 | V326-S328 PolarHBondContact O-N 2.96Š| ||
| 329 | R | 46.2 | Very low | 44 | Very low | 226 Ų | 226 | 153.2 Ų | 153.2 | 85% | 0.853 | 83% | 0.826 | S | S | * | * | trans | -120.2 | 107.5 | 157.8 | -91.1 | -166.7 | 178.1 | -162.5 | 2 | 107.4 | H327 | H327-R329 PolarHBondContact O-N 3.19Š| ||
| 330 | L | 47.4 | Very low | 44.1 | Very low | 245 Ų | 245 | 153.5 Ų | 153.5 | 100% | 1.283 | 83% | 0.83 | S | S | * | * | trans | -178.8 | 0 | 130.5 | -94.6 | 161.9 | 0 | 0 | 0 | 108.7 |
Retrieved 330 of 330 residues in 588.6 ms
(Link to these results)