| 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 | 52.3 | Low | 65.4 | Low | 158 Ų | 158 | 94.5 Ų | 94.5 | 78% | 0.778 | 50% | 0.504 | S | S | * | . | 0 | 112.8 | 0 | -172.9 | -177 | -81.2 | 0 | 0 | 105.8 | V108 L223 | M1-V108 HydrophobicContact CE-CG1 4.12Å; M1-V108 HydrophobicContact CG-CG1 4.43Å; M1-V108 HydrophobicContact SD-CB 4.44Å; M1-V108 HydrophobicContact SD-CG1 3.47Å; M1-V108 WeakPolarHBondContact SD-CG1 3.2Å; M1-V108 HydrophobicContact SD-CG2 4.2Å; M1-L223 HydrophobicContact CE-CD1 4.36Å | |||
| 2 | K | 59 | Low | 66.7 | Low | 193 Ų | 193 | 95.4 Ų | 95.4 | 84% | 0.839 | 51% | 0.509 | S | S | * | . | trans | -80.4 | 118.8 | 177 | -75.9 | -176.4 | 177.7 | 179.1 | 0 | 107.3 | P109 | K2-P109 WeakPolarHBondContact O-CD 3.31Å; K2-P109 WeakPolarHBondContact O-CG 3.45Å | ||
| 3 | L | 63.6 | Low | 67.8 | Low | 49 Ų | 49 | 90.2 Ų | 90.2 | 26% | 0.257 | 48% | 0.48 | S | S | . | . | trans | -78.8 | 139 | 173.2 | -66.9 | 172.4 | 0 | 0 | 0 | 109.2 | H5 C106 V108 L117 | L3-H5 PolarHBondContact O-CE1 2.62Å; L3-H5 PolarHBondContact O-N 3.17Å; L3-H5 PolarHBondContact O-ND1 2.68Å; L3-C106 HydrophobicContact CB-CB 4.19Å; L3-C106 HydrophobicContact CD1-CB 4.27Å; L3-V108 HydrophobicContact CD2-CB 4.44Å; L3-V108 HydrophobicContact CD2-CG2 3.6Å; L3-L117 HydrophobicContact CD1-CD1 3.74Å; L3-L117 HydrophobicContact CD1-CG 4.48Å | ||
| 4 | L | 62 | Low | 68.8 | Low | 111 Ų | 111 | 91.1 Ų | 91.1 | 58% | 0.581 | 48% | 0.478 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 112.6 | 169.4 | -68 | 171.9 | 0 | 0 | 0 | 107.4 | C106 S107 P109 | L4-C106 VanDerWaalsContact O-CA 3.3Å; L4-C106 WeakPolarHBondContact O-CA 3.41Å; L4-S107 PolarHBondContact N-O 2.86Å; L4-S107 PolarHBondContact O-N 3.34Å; L4-P109 HydrophobicContact CG-CG 4.41Å |
| 5 | H | 62.8 | Low | 69.6 | Low | 102 Ų | 102 | 91.3 Ų | 91.3 | 47% | 0.472 | 49% | 0.49 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 124.7 | -177.9 | -65.5 | 71.9 | 0 | 0 | 0 | 109.2 | L3 H60 | L3-H5 PolarHBondContact O-CE1 2.62Å; L3-H5 PolarHBondContact O-N 3.17Å; L3-H5 PolarHBondContact O-ND1 2.68Å; H5-H60 AromaticContact CD2-CE1 3.5Å; H5-H60 AromaticContact CD2-NE2 3.73Å; H5-H60 AromaticContact NE2-CE1 3.46Å; H5-H60 PolarHBondContact NE2-CE1 2.87Å; H5-H60 AromaticContact NE2-NE2 3.99Å |
| 6 | G | 62.2 | Low | 70.3 | Confident | 39 Ų | 39 | 87.1 Ų | 87.1 | 40% | 0.402 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | -176.5 | 168.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | A8 C104 N105 | G6-A8 PolarHBondContact O-N 3.48Å; G6-C104 PolarHBondContact O-SG 3.17Å; G6-N105 WeakPolarHBondContact CA-O 3.15Å; G6-N105 PolarHBondContact N-O 3.3Å |
| 7 | N | 67.3 | Low | 71 | Confident | 154 Ų | 154 | 83.4 Ų | 83.4 | 82% | 0.824 | 45% | 0.446 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -59.3 | 128.3 | 174.5 | -70.6 | -15.4 | 0 | 0 | 0 | 110.1 | ||
| 8 | A | 67 | Low | 71.2 | Confident | 35 Ų | 35 | 82.4 Ų | 82.4 | 29% | 0.289 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 128.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | G6 I10 S103 | G6-A8 PolarHBondContact O-N 3.48Å; A8-I10 HydrophobicContact CB-CD1 4.22Å; A8-I10 HydrophobicContact CB-CG1 4.15Å; A8-I10 PolarHBondContact O-N 2.95Å; A8-S103 WeakPolarHBondContact CA-O 3.39Å |
| 9 | N | 72.6 | Confident | 71.4 | Confident | 114 Ų | 114 | 80.1 Ų | 80.1 | 61% | 0.61 | 45% | 0.448 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77 | 115.5 | 167.5 | -74.6 | -24.3 | 0 | 0 | 0 | 108.2 | S103 | N9-S103 PolarHBondContact N-O 3.05Å; N9-S103 PolarHBondContact O-N 3.05Å |
| 10 | I | 74.2 | Confident | 71.4 | Confident | 46 Ų | 46 | 81.6 Ų | 81.6 | 24% | 0.236 | 46% | 0.455 | C | S | . | . | trans | -118.4 | 126 | -175.9 | -67.3 | 171.6 | 0 | 0 | 0 | 107 | A8 W57 K59 Q102 | A8-I10 HydrophobicContact CB-CD1 4.22Å; A8-I10 HydrophobicContact CB-CG1 4.15Å; A8-I10 PolarHBondContact O-N 2.95Å; I10-W57 HydrophobicContact CG2-CZ2 3.65Å; I10-K59 HydrophobicContact CD1-CD 3.16Å; I10-Q102 HydrophobicContact CG1-CG 4.18Å | ||
| 11 | P | 76.6 | Confident | 71.6 | Confident | 39 Ų | 39 | 79.7 Ų | 79.7 | 25% | 0.253 | 44% | 0.442 | S | S | . | . | trans | -60.6 | 149.3 | 179.2 | 25.1 | -34 | 0 | 0 | 0 | 110.8 | I16 W57 H100 | P11-I16 HydrophobicContact CB-CG1 4.21Å; P11-I16 HydrophobicContact CG-CD1 3.9Å; P11-I16 HydrophobicContact CG-CG1 4.03Å; P11-W57 HydrophobicContact CG-CZ2 4.36Å; P11-W57 WeakPolarHBondContact O-CH2 3.37Å; P11-W57 WeakPolarHBondContact O-CZ2 3.32Å; P11-H100 WeakPolarHBondContact CD-ND1 3.1Å; P11-H100 HydrophobicContact CG-CB 3.88Å; P11-H100 WeakPolarHBondContact CG-ND1 3.28Å | ||
| 12 | D | 81.4 | Confident | 72.7 | Confident | 105 Ų | 105 | 78.1 Ų | 78.1 | 56% | 0.561 | 45% | 0.447 | S | S | * | . | trans | -69.1 | 153.1 | 178.2 | -171.7 | 16.9 | 0 | 0 | 0 | 111.4 | K14 S15 I16 | D12-K14 PolarHBondContact O-N 3Å; D12-S15 WeakPolarHBondContact O-CA 3.33Å; D12-S15 VanDerWaalsContact O-CB 3.32Å; D12-S15 WeakPolarHBondContact O-CB 3.22Å; D12-S15 PolarHBondContact O-N 2.87Å; D12-I16 PolarHBondContact O-N 3.49Å; D12-I16 VanDerWaalsContact O-N 3.09Å | ||
| 13 | I | 80.1 | Confident | 73.8 | Confident | 27 Ų | 27 | 71.7 Ų | 71.7 | 14% | 0.138 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -55.3 | -44.2 | 176.6 | -69.2 | 164 | 0 | 0 | 0 | 110.2 | S15 I16 F17 F21 N26 I55 W57 | I13-S15 PolarHBondContact O-N 3.25Å; I13-I16 PolarHBondContact O-N 3.18Å; I13-I16 VanDerWaalsContact O-N 3.07Å; I13-F17 HydrophobicContact CG2-CD2 4Å; I13-F17 PolarHBondContact O-N 3.48Å; I13-F21 HydrophobicContact CG2-CD2 4.06Å; I13-N26 HydrophobicContact CD1-CB 4.11Å; I13-I55 HydrophobicContact CD1-CD1 4.06Å; I13-I55 HydrophobicContact CG1-CD1 4.36Å; I13-I55 HydrophobicContact CG2-CD1 3.6Å; I13-W57 HydrophobicContact CB-CZ3 4.24Å; I13-W57 HydrophobicContact CG1-CE3 3.95Å; I13-W57 HydrophobicContact CG1-CH2 4.15Å; I13-W57 HydrophobicContact CG1-CZ3 3.54Å |
| 14 | K | 81.5 | Confident | 74.9 | Confident | 104 Ų | 104 | 70.8 Ų | 70.8 | 45% | 0.452 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -57.3 | -40 | 176.4 | -173.5 | -177.3 | -167.6 | 131.7 | 0 | 111.7 | D12 I16 G18 D20 | D12-K14 PolarHBondContact O-N 3Å; K14-I16 VanDerWaalsContact C-N 3.35Å; K14-G18 WeakPolarHBondContact O-CA 3.33Å; K14-G18 PolarHBondContact O-N 3.27Å; K14-D20 WeakPolarHBondContact CD-OD1 3.44Å; K14-D20 WeakPolarHBondContact CE-OD1 3.05Å; K14-D20 VanDerWaalsContact CG-OD1 3.26Å; K14-D20 WeakPolarHBondContact CG-OD1 3.26Å; K14-D20 IonicContact NZ-OD1 2.75Å; K14-D20 PolarHBondContact NZ-OD1 3.36Å; K14-D20 IonicContact NZ-OD2 2.66Å; K14-D20 PolarHBondContact NZ-OD2 3.29Å |
| 15 | S | 81 | Confident | 76.4 | Confident | 93 Ų | 93 | 66.9 Ų | 66.9 | 65% | 0.65 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -69.1 | -31.9 | 177.8 | -176.9 | 0 | 0 | 0 | 0 | 112.8 | D12 I13 | D12-S15 WeakPolarHBondContact O-CA 3.33Å; D12-S15 VanDerWaalsContact O-CB 3.32Å; D12-S15 WeakPolarHBondContact O-CB 3.22Å; D12-S15 PolarHBondContact O-N 2.87Å; I13-S15 PolarHBondContact O-N 3.25Å |
| 16 | I | 81.9 | Confident | 77.8 | Confident | 25 Ų | 25 | 64.7 Ų | 64.7 | 13% | 0.128 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -81.8 | -45.7 | -178.4 | -70.7 | -156.3 | 0 | 0 | 0 | 112.1 | P11 D12 I13 K14 W57 R98 H100 A123 | P11-I16 HydrophobicContact CB-CG1 4.21Å; P11-I16 HydrophobicContact CG-CD1 3.9Å; P11-I16 HydrophobicContact CG-CG1 4.03Å; D12-I16 PolarHBondContact O-N 3.49Å; D12-I16 VanDerWaalsContact O-N 3.09Å; I13-I16 PolarHBondContact O-N 3.18Å; I13-I16 VanDerWaalsContact O-N 3.07Å; K14-I16 VanDerWaalsContact C-N 3.35Å; I16-W57 HydrophobicContact CB-CH2 4.05Å; I16-W57 HydrophobicContact CB-CZ3 4.36Å; I16-W57 HydrophobicContact CD1-CH2 3.1Å; I16-W57 HydrophobicContact CD1-CZ2 3.47Å; I16-W57 VanDerWaalsContact CD1-CZ2 3.47Å; I16-W57 HydrophobicContact CD1-CZ3 3.82Å; I16-W57 HydrophobicContact CG1-CH2 3.56Å; I16-W57 HydrophobicContact CG1-CZ2 4.25Å; I16-W57 HydrophobicContact CG1-CZ3 4.32Å; I16-R98 HydrophobicContact CG2-CB 3.31Å; I16-R98 HydrophobicContact CG2-CG 3.68Å; I16-H100 HydrophobicContact CD1-CB 3.51Å; I16-H100 WeakPolarHBondContact CD1-CD2 3.36Å; I16-H100 VanDerWaalsContact CD1-CG 3.47Å; I16-H100 HydrophobicContact CG1-CB 4.39Å; I16-A123 HydrophobicContact CD1-CB 4.32Å; I16-A123 HydrophobicContact CG2-CB 4.35Å |
| 17 | F | 81.4 | Confident | 79.3 | Confident | 24 Ų | 24 | 63.3 Ų | 63.3 | 11% | 0.105 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -103 | -6.2 | -172.3 | -66.5 | -78.1 | 0 | 0 | 0 | 113.5 | I13 S19 F21 I55 W57 C96 R98 A123 L125 | I13-F17 HydrophobicContact CG2-CD2 4Å; I13-F17 PolarHBondContact O-N 3.48Å; F17-S19 PolarHBondContact O-N 3.05Å; F17-F21 HydrophobicContact CB-CD2 4.36Å; F17-F21 HydrophobicContact CB-CE2 3.49Å; F17-F21 VanDerWaalsContact CB-CE2 3.49Å; F17-F21 HydrophobicContact CB-CZ 4.29Å; F17-F21 HydrophobicContact CG-CE2 4.1Å; F17-I55 HydrophobicContact CE2-CG2 4.17Å; F17-W57 HydrophobicContact CE2-CZ3 4.17Å; F17-C96 HydrophobicContact CE1-CB 4.25Å; F17-R98 HydrophobicContact CD1-CG 3.8Å; F17-R98 HydrophobicContact CE1-CB 4.25Å; F17-R98 HydrophobicContact CE1-CG 3.6Å; F17-R98 HydrophobicContact CZ-CB 4.48Å; F17-R98 HydrophobicContact CZ-CG 4.3Å; F17-A123 HydrophobicContact CE2-CB 3.78Å; F17-A123 HydrophobicContact CZ-CB 3.72Å; F17-L125 HydrophobicContact CD1-CB 4.47Å; F17-L125 HydrophobicContact CD1-CD1 4.06Å; F17-L125 HydrophobicContact CD2-CD1 4.09Å; F17-L125 HydrophobicContact CE1-CB 3.71Å; F17-L125 HydrophobicContact CE1-CD1 4.08Å; F17-L125 HydrophobicContact CE2-CB 4.33Å; F17-L125 HydrophobicContact CE2-CD1 4.09Å; F17-L125 HydrophobicContact CG-CD1 4.07Å; F17-L125 HydrophobicContact CZ-CB 3.63Å; F17-L125 HydrophobicContact CZ-CD1 4.1Å |
| 18 | G | 74.8 | Confident | 80.6 | Confident | 65 Ų | 65 | 59.1 Ų | 59.1 | 67% | 0.67 | 37% | 0.365 | S | S | * | . | S | Bend | trans | 71.1 | 4.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | K14 | K14-G18 WeakPolarHBondContact O-CA 3.33Å; K14-G18 PolarHBondContact O-N 3.27Å |
| 19 | S | 74.6 | Confident | 81.9 | Confident | 38 Ų | 38 | 57.4 Ų | 57.4 | 27% | 0.266 | 35% | 0.351 | S | S | . | . | S | Bend | trans | -135.2 | 148.3 | -176.2 | -66.9 | 0 | 0 | 0 | 0 | 111.4 | F17 F21 | F17-S19 PolarHBondContact O-N 3.05Å; S19-F21 WeakPolarHBondContact O-CD2 3.38Å; S19-F21 PolarHBondContact O-N 3.3Å |
| 20 | D | 71.9 | Confident | 82.9 | Confident | 110 Ų | 110 | 54.7 Ų | 54.7 | 59% | 0.588 | 34% | 0.338 | S | S | * | . | trans | -83.3 | 101.8 | 173.6 | -70.5 | -22.8 | 0 | 0 | 0 | 109.5 | K14 S22 | K14-D20 WeakPolarHBondContact CD-OD1 3.44Å; K14-D20 WeakPolarHBondContact CE-OD1 3.05Å; K14-D20 VanDerWaalsContact CG-OD1 3.26Å; K14-D20 WeakPolarHBondContact CG-OD1 3.26Å; K14-D20 IonicContact NZ-OD1 2.75Å; K14-D20 PolarHBondContact NZ-OD1 3.36Å; K14-D20 IonicContact NZ-OD2 2.66Å; K14-D20 PolarHBondContact NZ-OD2 3.29Å; D20-S22 VanDerWaalsContact C-N 3.25Å; D20-S22 PolarHBondContact O-N 2.93Å | ||
| 21 | F | 76.1 | Confident | 83.7 | Confident | 42 Ų | 42 | 56.3 Ų | 56.3 | 18% | 0.184 | 35% | 0.352 | C | S | . | . | trans | -84 | 67.5 | 174.9 | -66.6 | -82.4 | 0 | 0 | 0 | 110.9 | I13 F17 S19 G23 C24 T53 I55 L125 F131 | I13-F21 HydrophobicContact CG2-CD2 4.06Å; F17-F21 HydrophobicContact CB-CD2 4.36Å; F17-F21 HydrophobicContact CB-CE2 3.49Å; F17-F21 VanDerWaalsContact CB-CE2 3.49Å; F17-F21 HydrophobicContact CB-CZ 4.29Å; F17-F21 HydrophobicContact CG-CE2 4.1Å; S19-F21 WeakPolarHBondContact O-CD2 3.38Å; S19-F21 PolarHBondContact O-N 3.3Å; F21-G23 PolarHBondContact O-N 3.34Å; F21-C24 HydrophobicContact CB-CB 3.85Å; F21-C24 WeakPolarHBondContact O-CB 3.18Å; F21-C24 PolarHBondContact O-N 3.2Å; F21-C24 PolarHBondContact O-SG 3.01Å; F21-T53 HydrophobicContact CD1-CG2 4Å; F21-I55 HydrophobicContact CB-CD1 4.37Å; F21-I55 HydrophobicContact CD2-CD1 4.47Å; F21-I55 HydrophobicContact CG-CD1 4.48Å; F21-L125 HydrophobicContact CD1-CD1 4.07Å; F21-L125 HydrophobicContact CD2-CD1 3.92Å; F21-L125 HydrophobicContact CE1-CD1 3.76Å; F21-L125 HydrophobicContact CE1-CD2 4.34Å; F21-L125 HydrophobicContact CE2-CD1 3.63Å; F21-L125 HydrophobicContact CG-CD1 4.14Å; F21-L125 HydrophobicContact CZ-CD1 3.53Å; F21-F131 HydrophobicContact CE1-CD1 4.14Å; F21-F131 HydrophobicContact CE1-CE1 4.43Å; F21-F131 HydrophobicContact CZ-CD1 4.41Å | ||
| 22 | S | 75.5 | Confident | 84.4 | Confident | 125 Ų | 125 | 57.6 Ų | 57.6 | 87% | 0.874 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | 133.5 | 173.2 | -174.6 | 0 | 0 | 0 | 0 | 110.5 | D20 C24 | D20-S22 VanDerWaalsContact C-N 3.25Å; D20-S22 PolarHBondContact O-N 2.93Å; S22-C24 VanDerWaalsContact C-N 3.28Å; S22-C24 PolarHBondContact O-N 2.86Å |
| 23 | G | 81.2 | Confident | 85.1 | Confident | 59 Ų | 59 | 53.6 Ų | 53.6 | 61% | 0.608 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.6 | 4.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | F21 T51 | F21-G23 PolarHBondContact O-N 3.34Å; G23-T51 PolarHBondContact O-OG1 2.99Å |
| 24 | C | 87.9 | Confident | 85.8 | Confident | 30 Ų | 30 | 59.2 Ų | 59.2 | 20% | 0.203 | 38% | 0.376 | C | S | . | . | trans | -72.8 | 150.3 | 171.1 | 75.2 | 0 | 0 | 0 | 0 | 111.7 | F21 S22 T53 I55 | F21-C24 HydrophobicContact CB-CB 3.85Å; F21-C24 WeakPolarHBondContact O-CB 3.18Å; F21-C24 PolarHBondContact O-N 3.2Å; F21-C24 PolarHBondContact O-SG 3.01Å; S22-C24 VanDerWaalsContact C-N 3.28Å; S22-C24 PolarHBondContact O-N 2.86Å; C24-T53 WeakPolarHBondContact CA-O 3.31Å; C24-T53 HydrophobicContact CB-CG2 3.87Å; C24-I55 HydrophobicContact CB-CD1 4.25Å; C24-I55 HydrophobicContact CB-CG1 4.43Å; C24-I55 VanDerWaalsContact SG-CD1 3.59Å | ||
| 25 | I | 92 | Very high | 86.4 | Confident | 29 Ų | 29 | 56.6 Ų | 56.6 | 15% | 0.149 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 117.7 | 168.9 | -61.7 | -178.7 | 0 | 0 | 0 | 108.8 | M27 Y41 K45 T51 T53 I54 I55 | I25-M27 HydrophobicContact CG2-CG 4.23Å; I25-M27 HydrophobicContact CG2-SD 3.74Å; I25-Y41 HydrophobicContact CG2-CE1 4.15Å; I25-K45 HydrophobicContact CD1-CB 3.45Å; I25-K45 VanDerWaalsContact CD1-CB 3.45Å; I25-K45 HydrophobicContact CD1-CD 4.05Å; I25-K45 HydrophobicContact CD1-CG 3.63Å; I25-T51 HydrophobicContact CB-CG2 4.47Å; I25-T51 HydrophobicContact CD1-CG2 3.54Å; I25-T51 HydrophobicContact CG1-CG2 3.8Å; I25-T53 PolarHBondContact N-O 2.83Å; I25-I54 HydrophobicContact CB-CD1 3.72Å; I25-I54 HydrophobicContact CD1-CD1 4.21Å; I25-I54 HydrophobicContact CG1-CD1 4.3Å; I25-I54 HydrophobicContact CG2-CD1 4.35Å; I25-I55 PolarHBondContact O-N 3.18Å |
| 26 | N | 92.5 | Very high | 87 | Confident | 56 Ų | 56 | 55.6 Ų | 55.6 | 30% | 0.299 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 108.7 | 174.3 | -176.4 | 10.7 | 0 | 0 | 0 | 111.6 | I13 N28 W57 | I13-N26 HydrophobicContact CD1-CB 4.11Å; N26-N28 PolarHBondContact O-N 2.94Å; N26-W57 VanDerWaalsContact OD1-CB 3.28Å; N26-W57 WeakPolarHBondContact OD1-CB 3.37Å |
| 27 | M | 94.5 | Very high | 87.6 | Confident | 10 Ų | 10 | 59.6 Ų | 59.6 | 5% | 0.049 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 89.6 | 178 | -61.5 | -60.8 | -71 | 0 | 0 | 110.5 | I25 V29 L38 Y41 A42 I54 I55 W56 W57 | I25-M27 HydrophobicContact CG2-CG 4.23Å; I25-M27 HydrophobicContact CG2-SD 3.74Å; M27-V29 PolarHBondContact O-N 3.31Å; M27-L38 HydrophobicContact CE-CB 3.76Å; M27-L38 HydrophobicContact CE-CD2 3.68Å; M27-L38 HydrophobicContact CE-CG 4.24Å; M27-L38 WeakPolarHBondContact CE-O 3.27Å; M27-Y41 HydrophobicContact CE-CD1 3.93Å; M27-Y41 HydrophobicContact SD-CD1 3.88Å; M27-Y41 HydrophobicContact SD-CE1 4.05Å; M27-A42 HydrophobicContact CE-CB 4.21Å; M27-A42 HydrophobicContact CG-CB 4.42Å; M27-A42 HydrophobicContact SD-CB 4.47Å; M27-I54 HydrophobicContact CG-CG2 4.02Å; M27-I55 WeakPolarHBondContact CA-O 3.24Å; M27-I55 WeakPolarHBondContact CB-O 3.31Å; M27-I55 PolarHBondContact N-O 3.27Å; M27-W56 HydrophobicContact CB-CD2 4.13Å; M27-W56 HydrophobicContact CB-CE3 3.64Å; M27-W56 HydrophobicContact CB-CZ3 3.86Å; M27-W56 HydrophobicContact CE-CH2 4.13Å; M27-W56 HydrophobicContact CE-CZ3 4.12Å; M27-W56 HydrophobicContact CG-CE3 4.31Å; M27-W56 HydrophobicContact CG-CH2 4.4Å; M27-W56 HydrophobicContact CG-CZ3 4.24Å; M27-W57 PolarHBondContact O-N 3.1Å |
| 28 | N | 93.5 | Very high | 88.3 | Confident | 65 Ų | 65 | 60.1 Ų | 60.1 | 35% | 0.348 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 112.2 | 174.7 | -71.9 | -67.8 | 0 | 0 | 0 | 111.3 | N26 W57 K59 | N26-N28 PolarHBondContact O-N 2.94Å; N28-W57 WeakPolarHBondContact CA-O 3.29Å; N28-K59 WeakPolarHBondContact OD1-CE 3.48Å; N28-K59 PolarHBondContact OD1-NZ 2.95Å |
| 29 | V | 94.6 | Very high | 89.3 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 121.8 | -179.6 | -172.6 | 0 | 0 | 0 | 0 | 109.7 | M27 L38 W56 W57 K59 A62 K65 T66 | M27-V29 PolarHBondContact O-N 3.31Å; V29-L38 HydrophobicContact CG2-CD1 4.2Å; V29-W56 HydrophobicContact CG2-CE3 3.78Å; V29-W56 HydrophobicContact CG2-CZ3 4.24Å; V29-W57 PolarHBondContact N-O 3.28Å; V29-K59 WeakPolarHBondContact O-CB 3Å; V29-K59 PolarHBondContact O-N 3.47Å; V29-A62 HydrophobicContact CG1-CB 4.28Å; V29-A62 WeakPolarHBondContact O-CB 3.4Å; V29-K65 HydrophobicContact CG1-CB 4.11Å; V29-K65 HydrophobicContact CG1-CD 3.85Å; V29-K65 HydrophobicContact CG1-CG 3.73Å; V29-T66 WeakPolarHBondContact CB-OG1 3.39Å; V29-T66 HydrophobicContact CG2-CG2 4.23Å |
| 30 | T | 93.2 | Very high | 90.3 | Very high | 56 Ų | 56 | 58.9 Ų | 58.9 | 34% | 0.344 | 37% | 0.373 | S | S | . | . | trans | -112 | 165.8 | 174.5 | 65.7 | 0 | 0 | 0 | 0 | 110.2 | G32 S33 K59 | T30-G32 PolarHBondContact O-N 3.41Å; T30-G32 VanDerWaalsContact O-N 3.14Å; T30-G32 PolarHBondContact OG1-N 3.38Å; T30-S33 PolarHBondContact N-OG 3.01Å; T30-S33 WeakPolarHBondContact O-CB 3.36Å; T30-S33 PolarHBondContact O-N 3.27Å; T30-S33 PolarHBondContact O-OG 3.19Å; T30-S33 PolarHBondContact OG1-N 2.76Å; T30-S33 PolarHBondContact OG1-OG 2.98Å; T30-K59 HydrophobicContact CG2-CB 4.03Å; T30-K59 HydrophobicContact CG2-CG 3.78Å | ||
| 31 | P | 90.9 | Very high | 91.4 | Very high | 81 Ų | 81 | 58.9 Ų | 58.9 | 53% | 0.526 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -28.1 | 173.4 | -25.5 | 36.3 | 0 | 0 | 0 | 113.3 | H60 A62 K65 | P31-H60 WeakPolarHBondContact CD-O 3.48Å; P31-H60 VanDerWaalsContact CG-O 3.3Å; P31-H60 WeakPolarHBondContact CG-O 3.47Å; P31-A62 HydrophobicContact CG-CB 4.4Å; P31-K65 PolarHBondContact O-NZ 3.5Å |
| 32 | G | 92.9 | Very high | 92.3 | Very high | 65 Ų | 65 | 56.9 Ų | 56.9 | 67% | 0.67 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.9 | -10.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | T30 | T30-G32 PolarHBondContact O-N 3.41Å; T30-G32 VanDerWaalsContact O-N 3.14Å; T30-G32 PolarHBondContact OG1-N 3.38Å |
| 33 | S | 94.6 | Very high | 93.2 | Very high | 21 Ų | 21 | 51.4 Ų | 51.4 | 15% | 0.147 | 32% | 0.318 | C | S | . | . | trans | -65.2 | 139 | -177.3 | -63.4 | 0 | 0 | 0 | 0 | 112.1 | T30 K65 | T30-S33 PolarHBondContact N-OG 3.01Å; T30-S33 WeakPolarHBondContact O-CB 3.36Å; T30-S33 PolarHBondContact O-N 3.27Å; T30-S33 PolarHBondContact O-OG 3.19Å; T30-S33 PolarHBondContact OG1-N 2.76Å; T30-S33 PolarHBondContact OG1-OG 2.98Å; S33-K65 WeakPolarHBondContact O-CD 3.32Å; S33-K65 PolarHBondContact O-NZ 2.98Å | ||
| 34 | K | 95.6 | Very high | 93.8 | Very high | 146 Ų | 146 | 56 Ų | 56 | 64% | 0.635 | 32% | 0.321 | S | S | * | . | trans | -95 | 112.4 | 177.1 | -62 | -177.2 | -179.1 | -178.3 | 0 | 110 | A36 N37 L38 | K34-A36 PolarHBondContact O-N 3.41Å; K34-N37 HydrophobicContact CB-CB 4.47Å; K34-N37 PolarHBondContact O-N 2.96Å; K34-L38 PolarHBondContact O-N 3.04Å; K34-L38 VanDerWaalsContact O-N 3.13Å | ||
| 35 | S | 93.3 | Very high | 94 | Very high | 48 Ų | 48 | 56.4 Ų | 56.4 | 34% | 0.336 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -56.1 | -37.2 | 177 | 47.9 | 0 | 0 | 0 | 0 | 112.3 | N37 L38 V39 | S35-N37 PolarHBondContact O-N 3.29Å; S35-N37 VanDerWaalsContact O-N 3.1Å; S35-L38 PolarHBondContact O-N 3.31Å; S35-V39 WeakPolarHBondContact O-CB 3.29Å; S35-V39 WeakPolarHBondContact O-CG2 3.27Å; S35-V39 PolarHBondContact O-N 3.14Å |
| 36 | A | 93.5 | Very high | 94 | Very high | 73 Ų | 73 | 55.3 Ų | 55.3 | 60% | 0.603 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -57.9 | -21.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | K34 P40 | K34-A36 PolarHBondContact O-N 3.41Å; A36-P40 VanDerWaalsContact O-CD 3.25Å; A36-P40 WeakPolarHBondContact O-CD 3.36Å; A36-P40 VanDerWaalsContact O-CG 3.26Å; A36-P40 WeakPolarHBondContact O-CG 3.39Å |
| 37 | N | 95.5 | Very high | 93.8 | Very high | 109 Ų | 109 | 56.7 Ų | 56.7 | 58% | 0.583 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -100.1 | -43.2 | 175.7 | -65.2 | 3.9 | 0 | 0 | 0 | 111.2 | K34 S35 Y41 | K34-N37 HydrophobicContact CB-CB 4.47Å; K34-N37 PolarHBondContact O-N 2.96Å; S35-N37 PolarHBondContact O-N 3.29Å; S35-N37 VanDerWaalsContact O-N 3.1Å; N37-Y41 WeakPolarHBondContact O-CB 3.22Å; N37-Y41 PolarHBondContact O-N 3.33Å |
| 38 | L | 95.9 | Very high | 93.5 | Very high | 35 Ų | 35 | 59.8 Ų | 59.8 | 18% | 0.183 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -67 | -45.2 | -175.4 | -66.4 | -175.8 | 0 | 0 | 0 | 112.5 | M27 V29 K34 S35 Y41 A42 W56 | M27-L38 HydrophobicContact CE-CB 3.76Å; M27-L38 HydrophobicContact CE-CD2 3.68Å; M27-L38 HydrophobicContact CE-CG 4.24Å; M27-L38 WeakPolarHBondContact CE-O 3.27Å; V29-L38 HydrophobicContact CG2-CD1 4.2Å; K34-L38 PolarHBondContact O-N 3.04Å; K34-L38 VanDerWaalsContact O-N 3.13Å; S35-L38 PolarHBondContact O-N 3.31Å; L38-Y41 PolarHBondContact O-N 3.33Å; L38-A42 PolarHBondContact O-N 3.27Å; L38-W56 HydrophobicContact CB-CH2 4.22Å; L38-W56 HydrophobicContact CB-CZ3 4.06Å; L38-W56 HydrophobicContact CD1-CZ3 4.42Å |
| 39 | V | 96 | Very high | 93.1 | Very high | 5 Ų | 5 | 58.9 Ų | 58.9 | 3% | 0.03 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -67 | -51.5 | -174.1 | 176.7 | 0 | 0 | 0 | 0 | 111 | S35 Y41 A42 V43 W56 C69 M72 F73 I76 | S35-V39 WeakPolarHBondContact O-CB 3.29Å; S35-V39 WeakPolarHBondContact O-CG2 3.27Å; S35-V39 PolarHBondContact O-N 3.14Å; V39-Y41 VanDerWaalsContact C-N 3.27Å; V39-Y41 PolarHBondContact O-N 2.79Å; V39-A42 PolarHBondContact O-N 3.47Å; V39-V43 HydrophobicContact CG1-CG2 4.17Å; V39-V43 VanDerWaalsContact O-CG2 3.27Å; V39-V43 WeakPolarHBondContact O-CG2 3.43Å; V39-V43 PolarHBondContact O-N 3.13Å; V39-W56 HydrophobicContact CG2-CH2 4.11Å; V39-C69 HydrophobicContact CG2-CB 4.06Å; V39-M72 HydrophobicContact CG1-CB 4.09Å; V39-M72 HydrophobicContact CG2-CB 4.15Å; V39-M72 HydrophobicContact CG2-CE 4.23Å; V39-F73 HydrophobicContact CG1-CB 4.36Å; V39-I76 HydrophobicContact CG1-CD1 3.63Å |
| 40 | P | 95.2 | Very high | 92.8 | Very high | 72 Ų | 72 | 64.8 Ų | 64.8 | 47% | 0.468 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -60.9 | -35.2 | 177.6 | -25.9 | 37.5 | 0 | 0 | 0 | 113.5 | A36 K44 | A36-P40 VanDerWaalsContact O-CD 3.25Å; A36-P40 WeakPolarHBondContact O-CD 3.36Å; A36-P40 VanDerWaalsContact O-CG 3.26Å; A36-P40 WeakPolarHBondContact O-CG 3.39Å; P40-K44 VanDerWaalsContact O-CB 3.31Å; P40-K44 WeakPolarHBondContact O-CB 3.36Å; P40-K44 PolarHBondContact O-N 3.24Å |
| 41 | Y | 96 | Very high | 92.6 | Very high | 109 Ų | 109 | 62.4 Ų | 62.4 | 43% | 0.427 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -61.8 | -50.6 | 174.7 | 175.5 | -95.5 | 0 | 0 | 0 | 111.8 | I25 M27 N37 L38 V39 V43 K44 K45 | I25-Y41 HydrophobicContact CG2-CE1 4.15Å; M27-Y41 HydrophobicContact CE-CD1 3.93Å; M27-Y41 HydrophobicContact SD-CD1 3.88Å; M27-Y41 HydrophobicContact SD-CE1 4.05Å; N37-Y41 WeakPolarHBondContact O-CB 3.22Å; N37-Y41 PolarHBondContact O-N 3.33Å; L38-Y41 PolarHBondContact O-N 3.33Å; V39-Y41 VanDerWaalsContact C-N 3.27Å; V39-Y41 PolarHBondContact O-N 2.79Å; Y41-V43 PolarHBondContact O-N 3.39Å; Y41-K44 PolarHBondContact O-N 3.19Å; Y41-K45 HydrophobicContact CE1-CG 4.13Å; Y41-K45 HydrophobicContact CE2-CG 4.13Å; Y41-K45 WeakPolarHBondContact O-CG 3.35Å; Y41-K45 PolarHBondContact O-N 3.14Å; Y41-K45 VanDerWaalsContact O-N 3.1Å |
| 42 | A | 95 | Very high | 92.5 | Very high | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -62.3 | -43.7 | 179 | 0 | 0 | 0 | 0 | 0 | 111.9 | M27 L38 V39 K45 F46 I54 W56 F73 | M27-A42 HydrophobicContact CE-CB 4.21Å; M27-A42 HydrophobicContact CG-CB 4.42Å; M27-A42 HydrophobicContact SD-CB 4.47Å; L38-A42 PolarHBondContact O-N 3.27Å; V39-A42 PolarHBondContact O-N 3.47Å; A42-K45 PolarHBondContact O-N 3.38Å; A42-F46 VanDerWaalsContact O-CB 3.29Å; A42-F46 WeakPolarHBondContact O-CB 3.49Å; A42-F46 PolarHBondContact O-N 3.03Å; A42-I54 HydrophobicContact CB-CG2 4.37Å; A42-W56 HydrophobicContact CB-CH2 3.96Å; A42-W56 HydrophobicContact CB-CZ2 3.68Å; A42-F73 HydrophobicContact CB-CD2 3.86Å; A42-F73 HydrophobicContact CB-CE2 4.11Å |
| 43 | V | 93.8 | Very high | 92.4 | Very high | 10 Ų | 10 | 60.4 Ų | 60.4 | 6% | 0.061 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -58.3 | -50.6 | 176.4 | 171.5 | 0 | 0 | 0 | 0 | 110.5 | V39 Y41 K45 F46 Q47 F73 I76 V77 | V39-V43 HydrophobicContact CG1-CG2 4.17Å; V39-V43 VanDerWaalsContact O-CG2 3.27Å; V39-V43 WeakPolarHBondContact O-CG2 3.43Å; V39-V43 PolarHBondContact O-N 3.13Å; Y41-V43 PolarHBondContact O-N 3.39Å; V43-K45 PolarHBondContact O-N 3.3Å; V43-F46 PolarHBondContact O-N 3.39Å; V43-Q47 HydrophobicContact CG1-CG 4.27Å; V43-Q47 WeakPolarHBondContact O-CB 3.5Å; V43-Q47 WeakPolarHBondContact O-CG 3.41Å; V43-Q47 PolarHBondContact O-N 2.92Å; V43-F73 HydrophobicContact CG2-CD2 3.78Å; V43-F73 HydrophobicContact CG2-CE2 4.38Å; V43-I76 HydrophobicContact CB-CG2 4.45Å; V43-I76 HydrophobicContact CG1-CG2 3.74Å; V43-I76 HydrophobicContact CG2-CB 4.06Å; V43-I76 HydrophobicContact CG2-CD1 4.34Å; V43-I76 HydrophobicContact CG2-CG2 3.88Å; V43-V77 HydrophobicContact CG1-CG2 4.45Å; V43-V77 HydrophobicContact CG2-CG2 4.2Å |
| 44 | K | 93.4 | Very high | 92.3 | Very high | 155 Ų | 155 | 59.4 Ų | 59.4 | 67% | 0.674 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -57.1 | -47.7 | -179.5 | -177.7 | 178.9 | 179.5 | 178.7 | 0 | 111.8 | P40 Y41 S48 | P40-K44 VanDerWaalsContact O-CB 3.31Å; P40-K44 WeakPolarHBondContact O-CB 3.36Å; P40-K44 PolarHBondContact O-N 3.24Å; Y41-K44 PolarHBondContact O-N 3.19Å; K44-S48 VanDerWaalsContact O-CB 3.24Å; K44-S48 WeakPolarHBondContact O-CB 3.26Å; K44-S48 PolarHBondContact O-N 2.93Å; K44-S48 PolarHBondContact O-OG 3.46Å; K44-S48 VanDerWaalsContact O-OG 3.13Å |
| 45 | K | 93.1 | Very high | 92.2 | Very high | 40 Ų | 40 | 52.4 Ų | 52.4 | 17% | 0.174 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -67.5 | -38.1 | -178.6 | -68.3 | -71 | -176.9 | 177 | 0 | 113 | I25 Y41 A42 V43 S48 E50 T51 | I25-K45 HydrophobicContact CD1-CB 3.45Å; I25-K45 VanDerWaalsContact CD1-CB 3.45Å; I25-K45 HydrophobicContact CD1-CD 4.05Å; I25-K45 HydrophobicContact CD1-CG 3.63Å; Y41-K45 HydrophobicContact CE1-CG 4.13Å; Y41-K45 HydrophobicContact CE2-CG 4.13Å; Y41-K45 WeakPolarHBondContact O-CG 3.35Å; Y41-K45 PolarHBondContact O-N 3.14Å; Y41-K45 VanDerWaalsContact O-N 3.1Å; A42-K45 PolarHBondContact O-N 3.38Å; V43-K45 PolarHBondContact O-N 3.3Å; K45-S48 PolarHBondContact O-OG 3.48Å; K45-E50 HydrophobicContact CD-CB 4.44Å; K45-E50 HydrophobicContact CD-CG 4.44Å; K45-E50 WeakPolarHBondContact CD-OE2 3.45Å; K45-E50 WeakPolarHBondContact CE-OE2 3.44Å; K45-E50 IonicContact NZ-OE1 2.64Å; K45-E50 PolarHBondContact NZ-OE1 3.39Å; K45-E50 IonicContact NZ-OE2 3.3Å; K45-E50 PolarHBondContact NZ-OE2 2.91Å; K45-E50 PolarHBondContact O-N 2.99Å; K45-T51 HydrophobicContact CB-CG2 4.18Å; K45-T51 PolarHBondContact O-N 2.88Å |
| 46 | F | 91.7 | Very high | 92.4 | Very high | 6 Ų | 6 | 50.1 Ų | 50.1 | 3% | 0.026 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -70.7 | -43.8 | 178.9 | -169.4 | -104.7 | 0 | 0 | 0 | 111.9 | A42 V43 D52 I54 F73 V77 M93 K128 | A42-F46 VanDerWaalsContact O-CB 3.29Å; A42-F46 WeakPolarHBondContact O-CB 3.49Å; A42-F46 PolarHBondContact O-N 3.03Å; V43-F46 PolarHBondContact O-N 3.39Å; F46-D52 WeakPolarHBondContact CE2-O 3.25Å; F46-I54 HydrophobicContact CB-CD1 4.48Å; F46-I54 HydrophobicContact CB-CG1 4.1Å; F46-I54 HydrophobicContact CD2-CG1 3.72Å; F46-I54 HydrophobicContact CG-CG1 4.25Å; F46-F73 HydrophobicContact CB-CE2 3.94Å; F46-F73 HydrophobicContact CB-CZ 4.01Å; F46-F73 HydrophobicContact CD1-CE2 4.45Å; F46-F73 AromaticContact CD1-CZ 3.87Å; F46-F73 HydrophobicContact CD1-CZ 3.87Å; F46-F73 HydrophobicContact CD2-CZ 4.13Å; F46-F73 HydrophobicContact CE1-CZ 4.33Å; F46-F73 HydrophobicContact CG-CE2 4.19Å; F46-F73 AromaticContact CG-CZ 3.74Å; F46-F73 HydrophobicContact CG-CZ 3.74Å; F46-V77 HydrophobicContact CD1-CG1 3.89Å; F46-V77 HydrophobicContact CD1-CG2 4.09Å; F46-V77 HydrophobicContact CE1-CG1 3.8Å; F46-M93 HydrophobicContact CE1-SD 4.14Å; F46-M93 HydrophobicContact CZ-CG 4.3Å; F46-M93 HydrophobicContact CZ-SD 4.2Å; F46-K128 HydrophobicContact CE1-CG 4.07Å; F46-K128 HydrophobicContact CE2-CG 3.93Å; F46-K128 HydrophobicContact CZ-CD 4.38Å; F46-K128 HydrophobicContact CZ-CG 3.47Å; F46-K128 VanDerWaalsContact CZ-CG 3.47Å; F46-K128 WeakPolarHBondContact O-CE 3.42Å; F46-K128 PolarHBondContact O-NZ 3.5Å |
| 47 | Q | 88.6 | Confident | 92.4 | Very high | 85 Ų | 85 | 46.9 Ų | 46.9 | 40% | 0.397 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -72.5 | -33.7 | 179.3 | -71.8 | 178.3 | -21.3 | 0 | 0 | 112.9 | V43 G49 T80 | V43-Q47 HydrophobicContact CG1-CG 4.27Å; V43-Q47 WeakPolarHBondContact O-CB 3.5Å; V43-Q47 WeakPolarHBondContact O-CG 3.41Å; V43-Q47 PolarHBondContact O-N 2.92Å; Q47-G49 PolarHBondContact O-N 2.92Å; Q47-T80 VanDerWaalsContact NE2-CB 3.28Å; Q47-T80 PolarHBondContact NE2-OG1 3.02Å; Q47-T80 VanDerWaalsContact NE2-OG1 3.14Å |
| 48 | S | 87.6 | Confident | 92.3 | Very high | 75 Ų | 75 | 41.7 Ų | 41.7 | 52% | 0.524 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -9 | 178.5 | 69.1 | 0 | 0 | 0 | 0 | 114.1 | K44 K45 E50 | K44-S48 VanDerWaalsContact O-CB 3.24Å; K44-S48 WeakPolarHBondContact O-CB 3.26Å; K44-S48 PolarHBondContact O-N 2.93Å; K44-S48 PolarHBondContact O-OG 3.46Å; K44-S48 VanDerWaalsContact O-OG 3.13Å; K45-S48 PolarHBondContact O-OG 3.48Å; S48-E50 PolarHBondContact O-N 3.41Å; S48-E50 PolarHBondContact OG-N 2.89Å |
| 49 | G | 84.9 | Confident | 92.1 | Very high | 46 Ų | 46 | 42.7 Ų | 42.7 | 47% | 0.474 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 75.1 | 9.4 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q47 T51 | Q47-G49 PolarHBondContact O-N 2.92Å; G49-T51 PolarHBondContact O-N 2.85Å |
| 50 | E | 87.7 | Confident | 91.6 | Very high | 123 Ų | 123 | 44.1 Ų | 44.1 | 58% | 0.575 | 23% | 0.23 | S | C | * | . | S | Bend | trans | -70.1 | -27.8 | 175.8 | -171 | 179.5 | 151 | 0 | 0 | 111.4 | K45 S48 | K45-E50 HydrophobicContact CD-CB 4.44Å; K45-E50 HydrophobicContact CD-CG 4.44Å; K45-E50 WeakPolarHBondContact CD-OE2 3.45Å; K45-E50 WeakPolarHBondContact CE-OE2 3.44Å; K45-E50 IonicContact NZ-OE1 2.64Å; K45-E50 PolarHBondContact NZ-OE1 3.39Å; K45-E50 IonicContact NZ-OE2 3.3Å; K45-E50 PolarHBondContact NZ-OE2 2.91Å; K45-E50 PolarHBondContact O-N 2.99Å; S48-E50 PolarHBondContact O-N 3.41Å; S48-E50 PolarHBondContact OG-N 2.89Å |
| 51 | T | 89.1 | Confident | 91.2 | Very high | 6 Ų | 6 | 43.3 Ų | 43.3 | 4% | 0.037 | 23% | 0.234 | C | C | . | . | trans | -141.3 | 144.5 | 170.8 | -171 | 0 | 0 | 0 | 0 | 110.4 | G23 I25 K45 G49 T53 I54 | G23-T51 PolarHBondContact O-OG1 2.99Å; I25-T51 HydrophobicContact CB-CG2 4.47Å; I25-T51 HydrophobicContact CD1-CG2 3.54Å; I25-T51 HydrophobicContact CG1-CG2 3.8Å; K45-T51 HydrophobicContact CB-CG2 4.18Å; K45-T51 PolarHBondContact O-N 2.88Å; G49-T51 PolarHBondContact O-N 2.85Å; T51-T53 PolarHBondContact OG1-N 3.21Å; T51-T53 PolarHBondContact OG1-O 3.34Å; T51-T53 VanDerWaalsContact OG1-O 3.05Å; T51-I54 HydrophobicContact CG2-CD1 3.52Å; T51-I54 HydrophobicContact CG2-CG1 4.44Å | ||
| 52 | D | 88.6 | Confident | 91 | Very high | 86 Ų | 86 | 38.2 Ų | 38.2 | 46% | 0.46 | 22% | 0.215 | S | C | . | . | S | Bend | trans | -98.7 | -5 | 173.5 | -67.9 | -31.1 | 0 | 0 | 0 | 112.5 | F46 S127 K128 | F46-D52 WeakPolarHBondContact CE2-O 3.25Å; D52-S127 VanDerWaalsContact O-CA 3.27Å; D52-S127 WeakPolarHBondContact O-CA 3.42Å; D52-S127 PolarHBondContact O-OG 2.74Å; D52-K128 PolarHBondContact O-N 3.24Å; D52-K128 WeakPolarHBondContact OD1-CD 3.48Å; D52-K128 IonicContact OD1-NZ 2.85Å; D52-K128 PolarHBondContact OD1-NZ 2.75Å |
| 53 | T | 90.6 | Very high | 90.9 | Very high | 18 Ų | 18 | 40.3 Ų | 40.3 | 11% | 0.11 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 125.6 | -176.6 | -56.9 | 0 | 0 | 0 | 0 | 111.9 | F21 C24 I25 T51 I55 L125 F126 | F21-T53 HydrophobicContact CD1-CG2 4Å; C24-T53 WeakPolarHBondContact CA-O 3.31Å; C24-T53 HydrophobicContact CB-CG2 3.87Å; I25-T53 PolarHBondContact N-O 2.83Å; T51-T53 PolarHBondContact OG1-N 3.21Å; T51-T53 PolarHBondContact OG1-O 3.34Å; T51-T53 VanDerWaalsContact OG1-O 3.05Å; T53-I55 HydrophobicContact CG2-CG1 4.33Å; T53-L125 HydrophobicContact CG2-CD1 4.24Å; T53-L125 HydrophobicContact CG2-CD2 3.85Å; T53-L125 HydrophobicContact CG2-CG 3.93Å; T53-F126 VanDerWaalsContact CA-O 3.29Å; T53-F126 WeakPolarHBondContact CA-O 3.48Å |
| 54 | I | 93.6 | Very high | 91 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 132.5 | 172.7 | -59.7 | -61.1 | 0 | 0 | 0 | 109 | I25 M27 A42 F46 T51 F73 L125 F126 | I25-I54 HydrophobicContact CB-CD1 3.72Å; I25-I54 HydrophobicContact CD1-CD1 4.21Å; I25-I54 HydrophobicContact CG1-CD1 4.3Å; I25-I54 HydrophobicContact CG2-CD1 4.35Å; M27-I54 HydrophobicContact CG-CG2 4.02Å; A42-I54 HydrophobicContact CB-CG2 4.37Å; F46-I54 HydrophobicContact CB-CD1 4.48Å; F46-I54 HydrophobicContact CB-CG1 4.1Å; F46-I54 HydrophobicContact CD2-CG1 3.72Å; F46-I54 HydrophobicContact CG-CG1 4.25Å; T51-I54 HydrophobicContact CG2-CD1 3.52Å; T51-I54 HydrophobicContact CG2-CG1 4.44Å; I54-F73 HydrophobicContact CB-CZ 4.32Å; I54-F73 HydrophobicContact CG1-CE2 4.14Å; I54-F73 HydrophobicContact CG1-CZ 3.96Å; I54-L125 WeakPolarHBondContact O-CA 3.26Å; I54-F126 PolarHBondContact N-O 3.17Å; I54-F126 PolarHBondContact O-N 2.88Å |
| 55 | I | 93.8 | Very high | 91.1 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 118.5 | 174 | -55.3 | 179.7 | 0 | 0 | 0 | 108.8 | I13 F17 F21 C24 I25 M27 T53 W57 I124 L125 | I13-I55 HydrophobicContact CD1-CD1 4.06Å; I13-I55 HydrophobicContact CG1-CD1 4.36Å; I13-I55 HydrophobicContact CG2-CD1 3.6Å; F17-I55 HydrophobicContact CE2-CG2 4.17Å; F21-I55 HydrophobicContact CB-CD1 4.37Å; F21-I55 HydrophobicContact CD2-CD1 4.47Å; F21-I55 HydrophobicContact CG-CD1 4.48Å; C24-I55 HydrophobicContact CB-CD1 4.25Å; C24-I55 HydrophobicContact CB-CG1 4.43Å; C24-I55 VanDerWaalsContact SG-CD1 3.59Å; I25-I55 PolarHBondContact O-N 3.18Å; M27-I55 WeakPolarHBondContact CA-O 3.24Å; M27-I55 WeakPolarHBondContact CB-O 3.31Å; M27-I55 PolarHBondContact N-O 3.27Å; T53-I55 HydrophobicContact CG2-CG1 4.33Å; I55-W57 HydrophobicContact CG2-CE3 3.92Å; I55-I124 CarbonylContact C-O 3.5Å; I55-L125 HydrophobicContact CD1-CD1 3.81Å; I55-L125 HydrophobicContact CD1-CG 4.41Å; I55-L125 HydrophobicContact CG1-CB 4.37Å; I55-L125 HydrophobicContact CG1-CD1 3.8Å; I55-L125 HydrophobicContact CG1-CG 3.83Å |
| 56 | W | 96 | Very high | 91.2 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 113.6 | 168.8 | -65.4 | 95.3 | 0 | 0 | 0 | 109.5 | M27 V29 L38 V39 A42 T66 C69 A70 F73 A123 I124 F126 | M27-W56 HydrophobicContact CB-CD2 4.13Å; M27-W56 HydrophobicContact CB-CE3 3.64Å; M27-W56 HydrophobicContact CB-CZ3 3.86Å; M27-W56 HydrophobicContact CE-CH2 4.13Å; M27-W56 HydrophobicContact CE-CZ3 4.12Å; M27-W56 HydrophobicContact CG-CE3 4.31Å; M27-W56 HydrophobicContact CG-CH2 4.4Å; M27-W56 HydrophobicContact CG-CZ3 4.24Å; V29-W56 HydrophobicContact CG2-CE3 3.78Å; V29-W56 HydrophobicContact CG2-CZ3 4.24Å; L38-W56 HydrophobicContact CB-CH2 4.22Å; L38-W56 HydrophobicContact CB-CZ3 4.06Å; L38-W56 HydrophobicContact CD1-CZ3 4.42Å; V39-W56 HydrophobicContact CG2-CH2 4.11Å; A42-W56 HydrophobicContact CB-CH2 3.96Å; A42-W56 HydrophobicContact CB-CZ2 3.68Å; W56-T66 HydrophobicContact CB-CG2 3.78Å; W56-C69 HydrophobicContact CD2-CB 4.31Å; W56-C69 HydrophobicContact CE3-CB 3.7Å; W56-C69 HydrophobicContact CH2-CB 3.91Å; W56-C69 HydrophobicContact CZ2-CB 4.49Å; W56-C69 HydrophobicContact CZ3-CB 3.47Å; W56-C69 VanDerWaalsContact CZ3-CB 3.47Å; W56-A70 HydrophobicContact CB-CB 4.45Å; W56-A70 HydrophobicContact CG-CB 4.01Å; W56-F73 HydrophobicContact CZ2-CB 3.69Å; W56-F73 HydrophobicContact CZ2-CD2 4.19Å; W56-F73 HydrophobicContact CZ2-CG 4.02Å; W56-F73 AromaticContact NE1-CD1 3.92Å; W56-F73 AromaticContact NE1-CG 3.9Å; W56-A123 CarbonylContact O-C 3.59Å; W56-A123 VanDerWaalsContact O-CA 3.3Å; W56-A123 WeakPolarHBondContact O-CA 3.06Å; W56-I124 HydrophobicContact CB-CB 4.23Å; W56-I124 PolarHBondContact N-O 2.97Å; W56-I124 PolarHBondContact O-N 3.44Å; W56-F126 AromaticContact CD1-CD2 3.75Å; W56-F126 AromaticContact CD1-CE2 3.7Å; W56-F126 AromaticContact NE1-CD2 3.87Å; W56-F126 AromaticContact NE1-CE2 3.86Å |
| 57 | W | 93.9 | Very high | 91.4 | Very high | 5 Ų | 5 | 40 Ų | 40 | 2% | 0.019 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 114.7 | -174.8 | -162.7 | -77.4 | 0 | 0 | 0 | 111.3 | I10 P11 I13 I16 F17 N26 M27 N28 V29 I55 H100 A123 | I10-W57 HydrophobicContact CG2-CZ2 3.65Å; P11-W57 HydrophobicContact CG-CZ2 4.36Å; P11-W57 WeakPolarHBondContact O-CH2 3.37Å; P11-W57 WeakPolarHBondContact O-CZ2 3.32Å; I13-W57 HydrophobicContact CB-CZ3 4.24Å; I13-W57 HydrophobicContact CG1-CE3 3.95Å; I13-W57 HydrophobicContact CG1-CH2 4.15Å; I13-W57 HydrophobicContact CG1-CZ3 3.54Å; I16-W57 HydrophobicContact CB-CH2 4.05Å; I16-W57 HydrophobicContact CB-CZ3 4.36Å; I16-W57 HydrophobicContact CD1-CH2 3.1Å; I16-W57 HydrophobicContact CD1-CZ2 3.47Å; I16-W57 VanDerWaalsContact CD1-CZ2 3.47Å; I16-W57 HydrophobicContact CD1-CZ3 3.82Å; I16-W57 HydrophobicContact CG1-CH2 3.56Å; I16-W57 HydrophobicContact CG1-CZ2 4.25Å; I16-W57 HydrophobicContact CG1-CZ3 4.32Å; F17-W57 HydrophobicContact CE2-CZ3 4.17Å; N26-W57 VanDerWaalsContact OD1-CB 3.28Å; N26-W57 WeakPolarHBondContact OD1-CB 3.37Å; M27-W57 PolarHBondContact O-N 3.1Å; N28-W57 WeakPolarHBondContact CA-O 3.29Å; V29-W57 PolarHBondContact N-O 3.28Å; I55-W57 HydrophobicContact CG2-CE3 3.92Å; W57-H100 AromaticContact CE2-NE2 3.8Å; W57-H100 AromaticContact CZ2-NE2 3.91Å; W57-H100 AromaticContact NE1-CE1 3.77Å; W57-H100 AromaticContact NE1-NE2 3.67Å; W57-A123 HydrophobicContact CD2-CB 4.13Å; W57-A123 HydrophobicContact CE3-CB 3.49Å; W57-A123 VanDerWaalsContact CE3-CB 3.49Å; W57-A123 HydrophobicContact CH2-CB 4.4Å; W57-A123 HydrophobicContact CZ3-CB 3.65Å |
| 58 | S | 94.3 | Very high | 91.8 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 138.9 | 176.7 | 68.2 | 0 | 0 | 0 | 0 | 111.8 | T66 Q102 G121 I122 | S58-T66 WeakPolarHBondContact CA-OG1 3.38Å; S58-T66 WeakPolarHBondContact CB-OG1 3.43Å; S58-Q102 PolarHBondContact O-NE2 2.95Å; S58-G121 VanDerWaalsContact OG-CA 3.29Å; S58-G121 WeakPolarHBondContact OG-CA 3.49Å; S58-I122 WeakPolarHBondContact CB-O 3.47Å; S58-I122 PolarHBondContact N-O 2.89Å; S58-I122 PolarHBondContact OG-N 3.36Å; S58-I122 PolarHBondContact OG-O 3.4Å |
| 59 | K | 90.5 | Very high | 92.2 | Very high | 56 Ų | 56 | 34.6 Ų | 34.6 | 24% | 0.243 | 22% | 0.22 | C | C | . | . | trans | -97.6 | 170.7 | 161 | -59.4 | -61.6 | -172 | -171.6 | 0 | 109.6 | I10 N28 V29 T30 G61 A62 | I10-K59 HydrophobicContact CD1-CD 3.16Å; N28-K59 WeakPolarHBondContact OD1-CE 3.48Å; N28-K59 PolarHBondContact OD1-NZ 2.95Å; V29-K59 WeakPolarHBondContact O-CB 3Å; V29-K59 PolarHBondContact O-N 3.47Å; T30-K59 HydrophobicContact CG2-CB 4.03Å; T30-K59 HydrophobicContact CG2-CG 3.78Å; K59-G61 PolarHBondContact O-N 3.28Å; K59-A62 WeakPolarHBondContact O-CB 3.42Å; K59-A62 PolarHBondContact O-N 2.96Å | ||
| 60 | H | 86.3 | Confident | 92.7 | Very high | 35 Ų | 35 | 32.4 Ų | 32.4 | 16% | 0.162 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -41.8 | 128.8 | 175.4 | -165.2 | -76.3 | 0 | 0 | 0 | 112.3 | H5 P31 A62 E119 | H5-H60 AromaticContact CD2-CE1 3.5Å; H5-H60 AromaticContact CD2-NE2 3.73Å; H5-H60 AromaticContact NE2-CE1 3.46Å; H5-H60 PolarHBondContact NE2-CE1 2.87Å; H5-H60 AromaticContact NE2-NE2 3.99Å; P31-H60 WeakPolarHBondContact CD-O 3.48Å; P31-H60 VanDerWaalsContact CG-O 3.3Å; P31-H60 WeakPolarHBondContact CG-O 3.47Å; H60-A62 VanDerWaalsContact C-N 3.25Å; H60-A62 PolarHBondContact O-N 2.9Å; H60-E119 IonicContact CD2-OE2 3.2Å; H60-E119 PolarHBondContact CD2-OE2 2.89Å; H60-E119 IonicContact CE1-OE1 3.68Å; H60-E119 PolarHBondContact CE1-OE1 3.44Å; H60-E119 IonicContact CE1-OE2 3.01Å; H60-E119 PolarHBondContact CE1-OE2 3.35Å; H60-E119 IonicContact CG-OE2 3.29Å; H60-E119 IonicContact ND1-OE1 2.87Å; H60-E119 IonicContact ND1-OE2 3.34Å; H60-E119 PolarHBondContact ND1-OE2 3.26Å; H60-E119 WeakPolarHBondContact NE2-CG 3.45Å; H60-E119 IonicContact NE2-OE1 2.93Å; H60-E119 PolarHBondContact NE2-OE1 2.94Å; H60-E119 IonicContact NE2-OE2 3.05Å; H60-E119 PolarHBondContact NE2-OE2 2.82Å |
| 61 | G | 86.3 | Confident | 93 | Very high | 54 Ų | 54 | 30.8 Ų | 30.8 | 56% | 0.557 | 19% | 0.189 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 66.9 | 7.3 | -176.3 | 0 | 0 | 0 | 0 | 0 | 117.4 | K59 E119 | K59-G61 PolarHBondContact O-N 3.28Å; G61-E119 PolarHBondContact N-OE2 3.13Å; G61-E119 VanDerWaalsContact N-OE2 3.16Å |
| 62 | A | 92.3 | Very high | 93.2 | Very high | 2 Ų | 2 | 34.1 Ų | 34.1 | 2% | 0.017 | 21% | 0.205 | C | C | . | . | trans | -110 | 1 | -174.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | V29 P31 K59 H60 A64 K65 T66 | V29-A62 HydrophobicContact CG1-CB 4.28Å; V29-A62 WeakPolarHBondContact O-CB 3.4Å; P31-A62 HydrophobicContact CG-CB 4.4Å; K59-A62 WeakPolarHBondContact O-CB 3.42Å; K59-A62 PolarHBondContact O-N 2.96Å; H60-A62 VanDerWaalsContact C-N 3.25Å; H60-A62 PolarHBondContact O-N 2.9Å; A62-A64 PolarHBondContact O-N 3.12Å; A62-K65 CarbonylContact O-C 3.59Å; A62-K65 WeakPolarHBondContact O-CA 3.29Å; A62-K65 WeakPolarHBondContact O-CB 3.31Å; A62-K65 PolarHBondContact O-N 3.2Å; A62-T66 PolarHBondContact O-N 3.43Å; A62-T66 PolarHBondContact O-OG1 2.93Å; A62-T66 VanDerWaalsContact O-OG1 3.1Å | ||
| 63 | V | 93.9 | Very high | 93.5 | Very high | 44 Ų | 44 | 30 Ų | 30 | 27% | 0.267 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -48.4 | -53 | -175.1 | 173.9 | 0 | 0 | 0 | 0 | 113.1 | K65 T66 V67 P120 I122 | V63-K65 VanDerWaalsContact C-N 3.28Å; V63-K65 PolarHBondContact O-N 3.37Å; V63-T66 WeakPolarHBondContact O-CB 3.35Å; V63-T66 PolarHBondContact O-N 3.02Å; V63-T66 VanDerWaalsContact O-N 3.16Å; V63-V67 WeakPolarHBondContact O-CG2 3.49Å; V63-V67 PolarHBondContact O-N 3.1Å; V63-V67 VanDerWaalsContact O-N 3.07Å; V63-P120 WeakPolarHBondContact CG2-O 3.47Å; V63-I122 HydrophobicContact CB-CG2 4.47Å; V63-I122 HydrophobicContact CG1-CB 4.39Å; V63-I122 HydrophobicContact CG1-CG2 3.87Å |
| 64 | A | 94.4 | Very high | 93.5 | Very high | 82 Ų | 82 | 30.7 Ų | 30.7 | 68% | 0.678 | 19% | 0.185 | S | C | * | . | H | α-helix | trans | -61.6 | -37.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | A62 A68 | A62-A64 PolarHBondContact O-N 3.12Å; A64-A68 PolarHBondContact O-N 3.2Å |
| 65 | K | 95.6 | Very high | 93.3 | Very high | 69 Ų | 69 | 33.6 Ų | 33.6 | 30% | 0.3 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -69.2 | -39.1 | 176.7 | -176.1 | 177.7 | -72.6 | -168 | 0 | 111.5 | V29 P31 S33 A62 V63 A68 C69 | V29-K65 HydrophobicContact CG1-CB 4.11Å; V29-K65 HydrophobicContact CG1-CD 3.85Å; V29-K65 HydrophobicContact CG1-CG 3.73Å; P31-K65 PolarHBondContact O-NZ 3.5Å; S33-K65 WeakPolarHBondContact O-CD 3.32Å; S33-K65 PolarHBondContact O-NZ 2.98Å; A62-K65 CarbonylContact O-C 3.59Å; A62-K65 WeakPolarHBondContact O-CA 3.29Å; A62-K65 WeakPolarHBondContact O-CB 3.31Å; A62-K65 PolarHBondContact O-N 3.2Å; V63-K65 VanDerWaalsContact C-N 3.28Å; V63-K65 PolarHBondContact O-N 3.37Å; K65-A68 PolarHBondContact O-N 3.48Å; K65-C69 WeakPolarHBondContact O-CB 3.32Å; K65-C69 PolarHBondContact O-N 3.44Å; K65-C69 PolarHBondContact O-SG 3.4Å; K65-C69 VanDerWaalsContact O-SG 3.34Å |
| 66 | T | 96.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -59.7 | -46.5 | 176 | -56.3 | 0 | 0 | 0 | 0 | 111.3 | V29 W56 S58 A62 V63 C69 A70 I122 | V29-T66 WeakPolarHBondContact CB-OG1 3.39Å; V29-T66 HydrophobicContact CG2-CG2 4.23Å; W56-T66 HydrophobicContact CB-CG2 3.78Å; S58-T66 WeakPolarHBondContact CA-OG1 3.38Å; S58-T66 WeakPolarHBondContact CB-OG1 3.43Å; A62-T66 PolarHBondContact O-N 3.43Å; A62-T66 PolarHBondContact O-OG1 2.93Å; A62-T66 VanDerWaalsContact O-OG1 3.1Å; V63-T66 WeakPolarHBondContact O-CB 3.35Å; V63-T66 PolarHBondContact O-N 3.02Å; V63-T66 VanDerWaalsContact O-N 3.16Å; T66-C69 PolarHBondContact O-N 3.42Å; T66-A70 WeakPolarHBondContact O-CB 3.27Å; T66-A70 PolarHBondContact O-N 3.04Å; T66-I122 HydrophobicContact CG2-CG2 4.08Å |
| 67 | V | 95.6 | Very high | 92.8 | Very high | 54 Ų | 54 | 37 Ų | 37 | 33% | 0.327 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -61.2 | -47.4 | 175.7 | 177.7 | 0 | 0 | 0 | 0 | 110.6 | V63 C69 A70 E71 I122 I124 | V63-V67 WeakPolarHBondContact O-CG2 3.49Å; V63-V67 PolarHBondContact O-N 3.1Å; V63-V67 VanDerWaalsContact O-N 3.07Å; V67-C69 VanDerWaalsContact C-N 3.35Å; V67-C69 PolarHBondContact O-N 3.46Å; V67-A70 PolarHBondContact O-N 3.31Å; V67-E71 HydrophobicContact CG1-CG 4.36Å; V67-E71 WeakPolarHBondContact O-CG 3.1Å; V67-E71 PolarHBondContact O-N 3.18Å; V67-I122 HydrophobicContact CG2-CD1 4.12Å; V67-I122 HydrophobicContact CG2-CG2 4.28Å; V67-I124 HydrophobicContact CG2-CD1 4.12Å |
| 68 | A | 95.8 | Very high | 92.3 | Very high | 47 Ų | 47 | 37.3 Ų | 37.3 | 39% | 0.388 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -59.5 | -43.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | A64 K65 E71 M72 | A64-A68 PolarHBondContact O-N 3.2Å; K65-A68 PolarHBondContact O-N 3.48Å; A68-E71 PolarHBondContact O-N 2.96Å; A68-M72 HydrophobicContact CB-CE 4.37Å; A68-M72 WeakPolarHBondContact O-CB 3.33Å; A68-M72 VanDerWaalsContact O-CE 3.31Å; A68-M72 WeakPolarHBondContact O-CE 3.2Å; A68-M72 WeakPolarHBondContact O-CG 3.1Å; A68-M72 PolarHBondContact O-N 2.89Å |
| 69 | C | 96.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -62.4 | -43.2 | 175.1 | -72 | 0 | 0 | 0 | 0 | 112.4 | V39 W56 K65 T66 V67 M72 F73 | V39-C69 HydrophobicContact CG2-CB 4.06Å; W56-C69 HydrophobicContact CD2-CB 4.31Å; W56-C69 HydrophobicContact CE3-CB 3.7Å; W56-C69 HydrophobicContact CH2-CB 3.91Å; W56-C69 HydrophobicContact CZ2-CB 4.49Å; W56-C69 HydrophobicContact CZ3-CB 3.47Å; W56-C69 VanDerWaalsContact CZ3-CB 3.47Å; K65-C69 WeakPolarHBondContact O-CB 3.32Å; K65-C69 PolarHBondContact O-N 3.44Å; K65-C69 PolarHBondContact O-SG 3.4Å; K65-C69 VanDerWaalsContact O-SG 3.34Å; T66-C69 PolarHBondContact O-N 3.42Å; V67-C69 VanDerWaalsContact C-N 3.35Å; V67-C69 PolarHBondContact O-N 3.46Å; C69-M72 PolarHBondContact O-N 3.34Å; C69-F73 VanDerWaalsContact O-CB 3.32Å; C69-F73 WeakPolarHBondContact O-CB 3.42Å; C69-F73 PolarHBondContact O-N 2.99Å |
| 70 | A | 95.3 | Very high | 91 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -62.7 | -44.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | W56 T66 V67 F73 K74 I124 F126 | W56-A70 HydrophobicContact CB-CB 4.45Å; W56-A70 HydrophobicContact CG-CB 4.01Å; T66-A70 WeakPolarHBondContact O-CB 3.27Å; T66-A70 PolarHBondContact O-N 3.04Å; V67-A70 PolarHBondContact O-N 3.31Å; A70-F73 WeakPolarHBondContact O-CB 3.46Å; A70-F73 PolarHBondContact O-N 2.85Å; A70-K74 VanDerWaalsContact O-CB 3.27Å; A70-K74 WeakPolarHBondContact O-CB 3.49Å; A70-K74 PolarHBondContact O-N 2.88Å; A70-I124 HydrophobicContact CB-CB 4.32Å; A70-I124 HydrophobicContact CB-CD1 3.61Å; A70-I124 HydrophobicContact CB-CG2 4.16Å; A70-F126 HydrophobicContact CB-CE2 3.82Å; A70-F126 HydrophobicContact CB-CZ 4.24Å |
| 71 | E | 94 | Very high | 89.9 | Confident | 88 Ų | 88 | 42.8 Ų | 42.8 | 41% | 0.411 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -68 | -39.7 | 177.4 | -69.9 | -58.5 | 145.5 | 0 | 0 | 112.4 | V67 A68 K74 S75 | V67-E71 HydrophobicContact CG1-CG 4.36Å; V67-E71 WeakPolarHBondContact O-CG 3.1Å; V67-E71 PolarHBondContact O-N 3.18Å; A68-E71 PolarHBondContact O-N 2.96Å; E71-K74 PolarHBondContact O-N 3.38Å; E71-S75 WeakPolarHBondContact O-CB 3.3Å; E71-S75 PolarHBondContact O-N 3.37Å |
| 72 | M | 93.8 | Very high | 88.5 | Confident | 76 Ų | 76 | 44.4 Ų | 44.4 | 37% | 0.374 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -62.7 | -44.9 | 173 | -76.1 | -175.4 | -76.4 | 0 | 0 | 111.7 | V39 A68 C69 S75 I76 | V39-M72 HydrophobicContact CG1-CB 4.09Å; V39-M72 HydrophobicContact CG2-CB 4.15Å; V39-M72 HydrophobicContact CG2-CE 4.23Å; A68-M72 HydrophobicContact CB-CE 4.37Å; A68-M72 WeakPolarHBondContact O-CB 3.33Å; A68-M72 VanDerWaalsContact O-CE 3.31Å; A68-M72 WeakPolarHBondContact O-CE 3.2Å; A68-M72 WeakPolarHBondContact O-CG 3.1Å; A68-M72 PolarHBondContact O-N 2.89Å; C69-M72 PolarHBondContact O-N 3.34Å; M72-S75 PolarHBondContact O-N 3.07Å; M72-I76 WeakPolarHBondContact O-CD1 3.44Å; M72-I76 VanDerWaalsContact O-CG1 3.29Å; M72-I76 WeakPolarHBondContact O-CG1 3.43Å; M72-I76 PolarHBondContact O-N 3.03Å |
| 73 | F | 94.5 | Very high | 86.7 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -57.1 | -50.4 | 174.8 | 165.3 | -92.8 | 0 | 0 | 0 | 111.1 | V39 A42 V43 F46 I54 W56 C69 A70 S75 I76 V77 M93 F126 | V39-F73 HydrophobicContact CG1-CB 4.36Å; A42-F73 HydrophobicContact CB-CD2 3.86Å; A42-F73 HydrophobicContact CB-CE2 4.11Å; V43-F73 HydrophobicContact CG2-CD2 3.78Å; V43-F73 HydrophobicContact CG2-CE2 4.38Å; F46-F73 HydrophobicContact CB-CE2 3.94Å; F46-F73 HydrophobicContact CB-CZ 4.01Å; F46-F73 HydrophobicContact CD1-CE2 4.45Å; F46-F73 AromaticContact CD1-CZ 3.87Å; F46-F73 HydrophobicContact CD1-CZ 3.87Å; F46-F73 HydrophobicContact CD2-CZ 4.13Å; F46-F73 HydrophobicContact CE1-CZ 4.33Å; F46-F73 HydrophobicContact CG-CE2 4.19Å; F46-F73 AromaticContact CG-CZ 3.74Å; F46-F73 HydrophobicContact CG-CZ 3.74Å; I54-F73 HydrophobicContact CB-CZ 4.32Å; I54-F73 HydrophobicContact CG1-CE2 4.14Å; I54-F73 HydrophobicContact CG1-CZ 3.96Å; W56-F73 HydrophobicContact CZ2-CB 3.69Å; W56-F73 HydrophobicContact CZ2-CD2 4.19Å; W56-F73 HydrophobicContact CZ2-CG 4.02Å; W56-F73 AromaticContact NE1-CD1 3.92Å; W56-F73 AromaticContact NE1-CG 3.9Å; C69-F73 VanDerWaalsContact O-CB 3.32Å; C69-F73 WeakPolarHBondContact O-CB 3.42Å; C69-F73 PolarHBondContact O-N 2.99Å; A70-F73 WeakPolarHBondContact O-CB 3.46Å; A70-F73 PolarHBondContact O-N 2.85Å; F73-S75 PolarHBondContact O-N 3.09Å; F73-I76 PolarHBondContact O-N 3.19Å; F73-V77 HydrophobicContact CD2-CG2 4.03Å; F73-V77 HydrophobicContact CE1-CG2 4.21Å; F73-V77 HydrophobicContact CE2-CG2 3.67Å; F73-V77 HydrophobicContact CG-CG2 4.46Å; F73-V77 HydrophobicContact CZ-CG2 3.78Å; F73-V77 WeakPolarHBondContact O-CB 3.43Å; F73-V77 WeakPolarHBondContact O-CG2 3.41Å; F73-V77 PolarHBondContact O-N 2.97Å; F73-M93 HydrophobicContact CE1-SD 3.98Å; F73-F126 AromaticContact CD1-CD2 3.65Å; F73-F126 HydrophobicContact CD1-CD2 3.65Å; F73-F126 AromaticContact CD1-CE2 3.8Å; F73-F126 HydrophobicContact CD1-CE2 3.8Å; F73-F126 HydrophobicContact CD1-CG 4.15Å; F73-F126 HydrophobicContact CD1-CZ 4.42Å; F73-F126 HydrophobicContact CE1-CB 3.86Å; F73-F126 HydrophobicContact CE1-CD1 4.41Å; F73-F126 AromaticContact CE1-CD2 3.6Å; F73-F126 HydrophobicContact CE1-CD2 3.6Å; F73-F126 HydrophobicContact CE1-CE2 4.2Å; F73-F126 AromaticContact CE1-CG 3.7Å; F73-F126 HydrophobicContact CE1-CG 3.7Å |
| 74 | K | 91.1 | Very high | 84.6 | Confident | 33 Ų | 33 | 54.9 Ų | 54.9 | 14% | 0.143 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -55 | -53.9 | 177.1 | 176.6 | 176.1 | 177.9 | 171.5 | 0 | 110.4 | A70 E71 I76 V77 L78 M93 F126 | A70-K74 VanDerWaalsContact O-CB 3.27Å; A70-K74 WeakPolarHBondContact O-CB 3.49Å; A70-K74 PolarHBondContact O-N 2.88Å; E71-K74 PolarHBondContact O-N 3.38Å; K74-I76 PolarHBondContact O-N 3.17Å; K74-V77 PolarHBondContact O-N 3.39Å; K74-L78 HydrophobicContact CB-CD1 4.47Å; K74-L78 HydrophobicContact CG-CD1 3.45Å; K74-L78 VanDerWaalsContact CG-CD1 3.45Å; K74-L78 WeakPolarHBondContact O-CB 3.34Å; K74-L78 WeakPolarHBondContact O-CD1 3.37Å; K74-L78 WeakPolarHBondContact O-CG 3.25Å; K74-L78 PolarHBondContact O-N 3.43Å; K74-L78 VanDerWaalsContact O-N 3.13Å; K74-M93 HydrophobicContact CB-CE 4.14Å; K74-M93 HydrophobicContact CG-CE 3.79Å; K74-F126 HydrophobicContact CB-CE1 4.23Å; K74-F126 HydrophobicContact CB-CZ 4.07Å; K74-F126 HydrophobicContact CD-CE1 4.15Å; K74-F126 HydrophobicContact CD-CZ 4.34Å; K74-F126 HydrophobicContact CG-CE1 4.4Å |
| 75 | S | 89.8 | Confident | 82.4 | Confident | 61 Ų | 61 | 57.8 Ų | 57.8 | 43% | 0.427 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -56 | -45.1 | 179.3 | -178.7 | 0 | 0 | 0 | 0 | 113.2 | E71 M72 F73 L78 N79 | E71-S75 WeakPolarHBondContact O-CB 3.3Å; E71-S75 PolarHBondContact O-N 3.37Å; M72-S75 PolarHBondContact O-N 3.07Å; F73-S75 PolarHBondContact O-N 3.09Å; S75-L78 PolarHBondContact O-N 3.03Å; S75-N79 WeakPolarHBondContact O-CB 3.21Å; S75-N79 PolarHBondContact O-N 3.3Å; S75-N79 PolarHBondContact O-ND2 2.97Å; S75-N79 PolarHBondContact OG-ND2 3.46Å |
| 76 | I | 90.8 | Very high | 80.1 | Confident | 69 Ų | 69 | 62 Ų | 62 | 35% | 0.354 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -68.5 | -47.1 | -177.7 | -65.3 | 163.7 | 0 | 0 | 0 | 111.8 | V39 V43 M72 F73 K74 L78 N79 T80 | V39-I76 HydrophobicContact CG1-CD1 3.63Å; V43-I76 HydrophobicContact CB-CG2 4.45Å; V43-I76 HydrophobicContact CG1-CG2 3.74Å; V43-I76 HydrophobicContact CG2-CB 4.06Å; V43-I76 HydrophobicContact CG2-CD1 4.34Å; V43-I76 HydrophobicContact CG2-CG2 3.88Å; M72-I76 WeakPolarHBondContact O-CD1 3.44Å; M72-I76 VanDerWaalsContact O-CG1 3.29Å; M72-I76 WeakPolarHBondContact O-CG1 3.43Å; M72-I76 PolarHBondContact O-N 3.03Å; F73-I76 PolarHBondContact O-N 3.19Å; K74-I76 PolarHBondContact O-N 3.17Å; I76-L78 PolarHBondContact O-N 3.27Å; I76-N79 PolarHBondContact O-N 3.16Å; I76-T80 PolarHBondContact O-N 3.08Å; I76-T80 PolarHBondContact O-OG1 3.17Å |
| 77 | V | 88.5 | Confident | 77.9 | Confident | 1 Ų | 1 | 66.2 Ų | 66.2 | 1% | 0.006 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -59.5 | -36.1 | -179.6 | 169 | 0 | 0 | 0 | 0 | 110.7 | V43 F46 F73 K74 Q81 M93 | V43-V77 HydrophobicContact CG1-CG2 4.45Å; V43-V77 HydrophobicContact CG2-CG2 4.2Å; F46-V77 HydrophobicContact CD1-CG1 3.89Å; F46-V77 HydrophobicContact CD1-CG2 4.09Å; F46-V77 HydrophobicContact CE1-CG1 3.8Å; F73-V77 HydrophobicContact CD2-CG2 4.03Å; F73-V77 HydrophobicContact CE1-CG2 4.21Å; F73-V77 HydrophobicContact CE2-CG2 3.67Å; F73-V77 HydrophobicContact CG-CG2 4.46Å; F73-V77 HydrophobicContact CZ-CG2 3.78Å; F73-V77 WeakPolarHBondContact O-CB 3.43Å; F73-V77 WeakPolarHBondContact O-CG2 3.41Å; F73-V77 PolarHBondContact O-N 2.97Å; K74-V77 PolarHBondContact O-N 3.39Å; V77-Q81 WeakPolarHBondContact O-CG 3.43Å; V77-Q81 PolarHBondContact O-NE2 2.64Å; V77-M93 HydrophobicContact CG1-SD 4.22Å |
| 78 | L | 82.1 | Confident | 75.8 | Confident | 12 Ų | 12 | 67.5 Ų | 67.5 | 6% | 0.063 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -80 | -40.6 | -177.7 | -61.1 | 167.2 | 0 | 0 | 0 | 112.2 | K74 S75 I76 T80 Q81 T82 M93 F142 | K74-L78 HydrophobicContact CB-CD1 4.47Å; K74-L78 HydrophobicContact CG-CD1 3.45Å; K74-L78 VanDerWaalsContact CG-CD1 3.45Å; K74-L78 WeakPolarHBondContact O-CB 3.34Å; K74-L78 WeakPolarHBondContact O-CD1 3.37Å; K74-L78 WeakPolarHBondContact O-CG 3.25Å; K74-L78 PolarHBondContact O-N 3.43Å; K74-L78 VanDerWaalsContact O-N 3.13Å; S75-L78 PolarHBondContact O-N 3.03Å; I76-L78 PolarHBondContact O-N 3.27Å; L78-T80 VanDerWaalsContact C-N 3.3Å; L78-T80 PolarHBondContact O-N 2.83Å; L78-Q81 PolarHBondContact O-N 3.03Å; L78-T82 PolarHBondContact O-N 2.93Å; L78-M93 HydrophobicContact CD1-CE 4.07Å; L78-M93 HydrophobicContact CD2-CE 4.18Å; L78-M93 HydrophobicContact CG-CE 4.26Å; L78-F142 HydrophobicContact CB-CE1 3.53Å; L78-F142 HydrophobicContact CB-CZ 3.82Å; L78-F142 HydrophobicContact CD1-CE1 3.46Å; L78-F142 VanDerWaalsContact CD1-CE1 3.46Å; L78-F142 HydrophobicContact CD1-CZ 3.35Å; L78-F142 HydrophobicContact CD2-CE1 3.82Å; L78-F142 HydrophobicContact CD2-CE2 3.96Å; L78-F142 HydrophobicContact CD2-CZ 3.12Å; L78-F142 HydrophobicContact CG-CE1 3.67Å; L78-F142 HydrophobicContact CG-CZ 3.47Å; L78-F142 VanDerWaalsContact CG-CZ 3.47Å |
| 79 | N | 82.2 | Confident | 73.9 | Confident | 99 Ų | 99 | 70.3 Ų | 70.3 | 53% | 0.529 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -67.7 | -28.8 | 176.1 | -72.8 | -16.7 | 0 | 0 | 0 | 113.4 | S75 I76 Q81 T82 | S75-N79 WeakPolarHBondContact O-CB 3.21Å; S75-N79 PolarHBondContact O-N 3.3Å; S75-N79 PolarHBondContact O-ND2 2.97Å; S75-N79 PolarHBondContact OG-ND2 3.46Å; I76-N79 PolarHBondContact O-N 3.16Å; N79-Q81 VanDerWaalsContact C-N 3.27Å; N79-Q81 PolarHBondContact O-N 3.13Å; N79-T82 PolarHBondContact O-OG1 2.82Å |
| 80 | T | 75.7 | Confident | 72.2 | Confident | 59 Ų | 59 | 75 Ų | 75 | 36% | 0.362 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -69.9 | -30.9 | 177.2 | -51.3 | 0 | 0 | 0 | 0 | 110.8 | Q47 I76 L78 | Q47-T80 VanDerWaalsContact NE2-CB 3.28Å; Q47-T80 PolarHBondContact NE2-OG1 3.02Å; Q47-T80 VanDerWaalsContact NE2-OG1 3.14Å; I76-T80 PolarHBondContact O-N 3.08Å; I76-T80 PolarHBondContact O-OG1 3.17Å; L78-T80 VanDerWaalsContact C-N 3.3Å; L78-T80 PolarHBondContact O-N 2.83Å |
| 81 | Q | 64.1 | Low | 70.6 | Confident | 49 Ų | 49 | 78.5 Ų | 78.5 | 23% | 0.229 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -74.9 | -34 | -178.5 | -70 | 176.7 | 41.8 | 0 | 0 | 113.2 | V77 L78 N79 S83 Q84 T91 | V77-Q81 WeakPolarHBondContact O-CG 3.43Å; V77-Q81 PolarHBondContact O-NE2 2.64Å; L78-Q81 PolarHBondContact O-N 3.03Å; N79-Q81 VanDerWaalsContact C-N 3.27Å; N79-Q81 PolarHBondContact O-N 3.13Å; Q81-S83 PolarHBondContact O-N 2.67Å; Q81-S83 VanDerWaalsContact O-N 3.17Å; Q81-Q84 PolarHBondContact O-N 3.34Å; Q81-T91 PolarHBondContact OE1-O 2.66Å |
| 82 | T | 55.8 | Low | 69.7 | Low | 88 Ų | 88 | 80.2 Ų | 80.2 | 54% | 0.54 | 48% | 0.478 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -16.2 | 177.9 | 52 | 0 | 0 | 0 | 0 | 113.1 | L78 N79 L85 | L78-T82 PolarHBondContact O-N 2.93Å; N79-T82 PolarHBondContact O-OG1 2.82Å; T82-L85 WeakPolarHBondContact O-CD1 3.11Å |
| 83 | S | 54.5 | Low | 69.3 | Low | 101 Ų | 101 | 76.8 Ų | 76.8 | 71% | 0.706 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.7 | -13.7 | 177.9 | -55.1 | 0 | 0 | 0 | 0 | 113.4 | Q81 | Q81-S83 PolarHBondContact O-N 2.67Å; Q81-S83 VanDerWaalsContact O-N 3.17Å |
| 84 | Q | 51.6 | Low | 69 | Low | 165 Ų | 165 | 78.3 Ų | 78.3 | 77% | 0.771 | 47% | 0.467 | S | S | * | . | trans | -109.2 | 60.3 | 177.2 | -73.7 | -174.7 | -42.1 | 0 | 0 | 110.3 | Q81 D86 | Q81-Q84 PolarHBondContact O-N 3.34Å; Q84-D86 VanDerWaalsContact C-N 3.34Å; Q84-D86 PolarHBondContact O-N 2.92Å | ||
| 85 | L | 46.5 | Very low | 68.9 | Low | 142 Ų | 142 | 77.1 Ų | 77.1 | 74% | 0.743 | 46% | 0.462 | S | S | * | . | trans | -86.8 | 73.7 | 176.1 | -92.2 | 157.8 | 0 | 0 | 0 | 110.8 | T82 | T82-L85 WeakPolarHBondContact O-CD1 3.11Š| ||
| 86 | D | 47.3 | Very low | 68.8 | Low | 159 Ų | 159 | 74.7 Ų | 74.7 | 85% | 0.85 | 45% | 0.445 | S | S | * | . | S | Bend | trans | -108.8 | 82.8 | 156.9 | -101.5 | -17.4 | 0 | 0 | 0 | 107.7 | Q84 A88 | Q84-D86 VanDerWaalsContact C-N 3.34Å; Q84-D86 PolarHBondContact O-N 2.92Å; D86-A88 PolarHBondContact O-N 2.87Å |
| 87 | G | 50.2 | Low | 68.8 | Low | 87 Ų | 87 | 73.6 Ų | 73.6 | 90% | 0.897 | 44% | 0.444 | S | S | * | . | S | Bend | trans | 58.3 | -8.5 | 159.6 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||
| 88 | A | 52.8 | Low | 68.9 | Low | 82 Ų | 82 | 77.5 Ų | 77.5 | 68% | 0.678 | 46% | 0.458 | S | S | * | . | P | Polyproline II helix | trans | -82.1 | 139 | -179.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | D86 | D86-A88 PolarHBondContact O-N 2.87Š|
| 89 | S | 56 | Low | 69.3 | Low | 105 Ų | 105 | 83.8 Ų | 83.8 | 73% | 0.734 | 49% | 0.491 | S | S | * | . | P | Polyproline II helix | trans | -54.6 | 141.4 | 175.6 | 49.7 | 0 | 0 | 0 | 0 | 110.5 | T91 | S89-T91 PolarHBondContact O-N 3.16Š|
| 90 | P | 60 | Low | 69.6 | Low | 98 Ų | 98 | 80 Ų | 80 | 64% | 0.636 | 47% | 0.47 | S | S | * | . | P | Polyproline II helix | trans | -55.5 | 133.3 | -178.9 | 22.6 | -32.8 | 0 | 0 | 0 | 109.3 | K92 | P90-K92 PolarHBondContact O-N 2.98Š|
| 91 | T | 62.5 | Low | 70.2 | Confident | 74 Ų | 74 | 81.9 Ų | 81.9 | 45% | 0.454 | 48% | 0.478 | S | S | . | . | trans | -65.7 | 113.2 | -178.7 | -54.4 | 0 | 0 | 0 | 0 | 107.6 | Q81 S89 M93 | Q81-T91 PolarHBondContact OE1-O 2.66Å; S89-T91 PolarHBondContact O-N 3.16Å; T91-M93 PolarHBondContact O-N 3.33Å | ||
| 92 | K | 75.2 | Confident | 71.2 | Confident | 124 Ų | 124 | 79.6 Ų | 79.6 | 54% | 0.539 | 47% | 0.467 | S | S | . | . | trans | -67.8 | 125.9 | 178.8 | -65.7 | -176.3 | -179.2 | -178.3 | 0 | 108.7 | P90 Y94 P139 | P90-K92 PolarHBondContact O-N 2.98Å; K92-Y94 HydrophobicContact CB-CE2 3.94Å; K92-P139 HydrophobicContact CB-CB 4.41Å | ||
| 93 | M | 85 | Confident | 72.5 | Confident | 5 Ų | 5 | 77 Ų | 77 | 3% | 0.025 | 45% | 0.452 | C | S | . | . | trans | -111.8 | 124 | 170.7 | -172.9 | 176.6 | 66.4 | 0 | 0 | 108.8 | F46 F73 K74 V77 L78 T91 F126 S127 | F46-M93 HydrophobicContact CE1-SD 4.14Å; F46-M93 HydrophobicContact CZ-CG 4.3Å; F46-M93 HydrophobicContact CZ-SD 4.2Å; F73-M93 HydrophobicContact CE1-SD 3.98Å; K74-M93 HydrophobicContact CB-CE 4.14Å; K74-M93 HydrophobicContact CG-CE 3.79Å; V77-M93 HydrophobicContact CG1-SD 4.22Å; L78-M93 HydrophobicContact CD1-CE 4.07Å; L78-M93 HydrophobicContact CD2-CE 4.18Å; L78-M93 HydrophobicContact CG-CE 4.26Å; T91-M93 PolarHBondContact O-N 3.33Å; M93-F126 HydrophobicContact CE-CD1 3.63Å; M93-F126 HydrophobicContact CE-CE1 3.81Å; M93-F126 HydrophobicContact CG-CB 4.36Å; M93-F126 HydrophobicContact CG-CD1 4.09Å; M93-F126 HydrophobicContact SD-CB 4.1Å; M93-F126 HydrophobicContact SD-CD1 3.72Å; M93-F126 HydrophobicContact SD-CE1 4.46Å; M93-F126 HydrophobicContact SD-CG 4.13Å; M93-S127 WeakPolarHBondContact CA-O 3.4Å | ||
| 94 | Y | 86.8 | Confident | 73.7 | Confident | 31 Ų | 31 | 72.2 Ų | 72.2 | 12% | 0.122 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 140.9 | 178.4 | -61.3 | -92.1 | 0 | 0 | 0 | 109.5 | K92 F126 S127 S129 Q130 F131 P139 | K92-Y94 HydrophobicContact CB-CE2 3.94Å; Y94-F126 VanDerWaalsContact O-CA 3.31Å; Y94-F126 WeakPolarHBondContact O-CA 3.44Å; Y94-S127 PolarHBondContact N-O 2.77Å; Y94-S127 PolarHBondContact O-N 2.96Å; Y94-S129 WeakPolarHBondContact CD2-O 3.3Å; Y94-Q130 HydrophobicContact CD1-CB 4.15Å; Y94-Q130 HydrophobicContact CD1-CG 4.16Å; Y94-Q130 HydrophobicContact CD2-CB 4.45Å; Y94-Q130 HydrophobicContact CE1-CB 3.75Å; Y94-Q130 HydrophobicContact CE1-CG 3.84Å; Y94-Q130 HydrophobicContact CE2-CB 4.11Å; Y94-Q130 HydrophobicContact CG-CB 4.47Å; Y94-F131 VanDerWaalsContact CB-CE2 3.45Å; Y94-P139 HydrophobicContact CE1-CB 4.44Å; Y94-P139 HydrophobicContact CE1-CG 4.42Å |
| 95 | Q | 90.2 | Very high | 75.1 | Confident | 9 Ų | 9 | 68.8 Ų | 68.8 | 4% | 0.042 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 134 | 179.5 | -178.6 | 179.2 | -23.8 | 0 | 0 | 110.3 | I124 L125 F126 Q137 | Q95-I124 HydrophobicContact CG-CG2 4.15Å; Q95-L125 CarbonylContact C-O 3.56Å; Q95-L125 WeakPolarHBondContact CA-O 3.18Å; Q95-F126 HydrophobicContact CB-CD1 4.03Å; Q95-F126 HydrophobicContact CB-CE1 3.88Å; Q95-F126 HydrophobicContact CG-CD1 4.15Å; Q95-F126 HydrophobicContact CG-CE1 3.68Å; Q95-F126 HydrophobicContact CG-CZ 4.21Å; Q95-Q137 PolarHBondContact O-N 3.26Å |
| 96 | C | 87.8 | Confident | 76.6 | Confident | 9 Ų | 9 | 62.1 Ų | 62.1 | 6% | 0.061 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 128.3 | 169.9 | -175.5 | 0 | 0 | 0 | 0 | 109.3 | F17 L125 F131 | F17-C96 HydrophobicContact CE1-CB 4.25Å; C96-L125 HydrophobicContact CB-CB 4.49Å; C96-L125 PolarHBondContact N-O 3.16Å; C96-L125 PolarHBondContact O-N 2.91Å; C96-F131 HydrophobicContact CB-CD2 4.01Å; C96-F131 HydrophobicContact CB-CE2 3.94Å |
| 97 | S | 90.7 | Very high | 78 | Confident | 47 Ų | 47 | 56.9 Ų | 56.9 | 33% | 0.329 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 130.1 | 179.6 | -57.2 | 0 | 0 | 0 | 0 | 110 | A123 | S97-A123 CarbonylContact C-O 3.58Å; S97-A123 WeakPolarHBondContact CA-O 3.5Å |
| 98 | R | 89.8 | Confident | 79.2 | Confident | 82 Ų | 82 | 53.6 Ų | 53.6 | 31% | 0.309 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 135.2 | -179.7 | -65.4 | -69.2 | -168.7 | -176.4 | -1.6 | 110.3 | I16 F17 I122 A123 D135 | I16-R98 HydrophobicContact CG2-CB 3.31Å; I16-R98 HydrophobicContact CG2-CG 3.68Å; F17-R98 HydrophobicContact CD1-CG 3.8Å; F17-R98 HydrophobicContact CE1-CB 4.25Å; F17-R98 HydrophobicContact CE1-CG 3.6Å; F17-R98 HydrophobicContact CZ-CB 4.48Å; F17-R98 HydrophobicContact CZ-CG 4.3Å; R98-I122 WeakPolarHBondContact O-CA 3.32Å; R98-A123 PolarHBondContact N-O 3.4Å; R98-A123 PolarHBondContact O-N 3.23Å; R98-D135 IonicContact CZ-OD2 3.57Å; R98-D135 IonicContact NH1-OD2 2.73Å; R98-D135 PolarHBondContact NH1-OD2 3.1Å; R98-D135 IonicContact NH2-OD2 3.09Å; R98-D135 PolarHBondContact NH2-OD2 2.73Å |
| 99 | L | 91.1 | Very high | 80.2 | Confident | 144 Ų | 144 | 52.2 Ų | 52.2 | 75% | 0.754 | 29% | 0.294 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 145.8 | 170.8 | -63.4 | 176.9 | 0 | 0 | 0 | 109.6 | G121 I122 | L99-G121 WeakPolarHBondContact CA-O 3.43Å; L99-I122 HydrophobicContact CD2-CB 4.12Å; L99-I122 HydrophobicContact CD2-CD1 4.23Å; L99-I122 HydrophobicContact CD2-CG1 4.06Å |
| 100 | H | 88.2 | Confident | 81.2 | Confident | 19 Ų | 19 | 55.4 Ų | 55.4 | 9% | 0.088 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 167.3 | 173.3 | 68.4 | 99.3 | 0 | 0 | 0 | 111.2 | P11 I16 W57 Q102 G121 | P11-H100 WeakPolarHBondContact CD-ND1 3.1Å; P11-H100 HydrophobicContact CG-CB 3.88Å; P11-H100 WeakPolarHBondContact CG-ND1 3.28Å; I16-H100 HydrophobicContact CD1-CB 3.51Å; I16-H100 WeakPolarHBondContact CD1-CD2 3.36Å; I16-H100 VanDerWaalsContact CD1-CG 3.47Å; I16-H100 HydrophobicContact CG1-CB 4.39Å; W57-H100 AromaticContact CE2-NE2 3.8Å; W57-H100 AromaticContact CZ2-NE2 3.91Å; W57-H100 AromaticContact NE1-CE1 3.77Å; W57-H100 AromaticContact NE1-NE2 3.67Å; H100-Q102 WeakPolarHBondContact CE1-CG 3.29Å; H100-Q102 PolarHBondContact CE1-NE2 2.91Å; H100-Q102 PolarHBondContact NE2-NE2 2.96Å; H100-G121 PolarHBondContact N-O 3.27Å; H100-G121 PolarHBondContact O-N 2.8Å |
| 101 | L | 87.6 | Confident | 81.9 | Confident | 100 Ų | 100 | 53.8 Ų | 53.8 | 52% | 0.524 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 144.5 | 171.3 | -66.5 | 172.2 | 0 | 0 | 0 | 109.7 | ||
| 102 | Q | 86.4 | Confident | 82.5 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 117.9 | 173.1 | -59.2 | -175.1 | 30.1 | 0 | 0 | 107.9 | I10 S58 H100 E118 E119 | I10-Q102 HydrophobicContact CG1-CG 4.18Å; S58-Q102 PolarHBondContact O-NE2 2.95Å; H100-Q102 WeakPolarHBondContact CE1-CG 3.29Å; H100-Q102 PolarHBondContact CE1-NE2 2.91Å; H100-Q102 PolarHBondContact NE2-NE2 2.96Å; Q102-E118 WeakPolarHBondContact O-CA 3.37Å; Q102-E119 PolarHBondContact N-O 2.93Å; Q102-E119 PolarHBondContact O-N 3.14Å |
| 103 | S | 82.7 | Confident | 82.6 | Confident | 33 Ų | 33 | 55.2 Ų | 55.2 | 23% | 0.231 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 124.2 | 179.4 | -53.2 | 0 | 0 | 0 | 0 | 109.5 | A8 N9 L117 | A8-S103 WeakPolarHBondContact CA-O 3.39Å; N9-S103 PolarHBondContact N-O 3.05Å; N9-S103 PolarHBondContact O-N 3.05Å; S103-L117 CarbonylContact C-O 3.55Å; S103-L117 VanDerWaalsContact CA-O 3.29Å; S103-L117 WeakPolarHBondContact CA-O 3.43Å |
| 104 | C | 78.8 | Confident | 82.2 | Confident | 2 Ų | 2 | 59.8 Ų | 59.8 | 1% | 0.014 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 123.1 | 175.6 | 179.5 | 0 | 0 | 0 | 0 | 109.7 | G6 C106 T116 L117 | G6-C104 PolarHBondContact O-SG 3.17Å; C104-C106 PolarHBondContact O-N 2.78Å; C104-T116 WeakPolarHBondContact O-CA 3.39Å; C104-L117 PolarHBondContact N-O 2.85Å; C104-L117 PolarHBondContact O-N 2.75Å |
| 105 | N | 81.2 | Confident | 82 | Confident | 92 Ų | 92 | 60.3 Ų | 60.3 | 49% | 0.492 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 121 | 171.1 | -69.7 | -27.2 | 0 | 0 | 0 | 109.1 | G6 T116 | G6-N105 WeakPolarHBondContact CA-O 3.15Å; G6-N105 PolarHBondContact N-O 3.3Å; N105-T116 PolarHBondContact OD1-OG1 3.46Å |
| 106 | C | 77.7 | Confident | 81.5 | Confident | 2 Ų | 2 | 63.6 Ų | 63.6 | 1% | 0.014 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 139.9 | -179.9 | -67.6 | 0 | 0 | 0 | 0 | 109.8 | L3 L4 C104 S114 C115 L117 | L3-C106 HydrophobicContact CB-CB 4.19Å; L3-C106 HydrophobicContact CD1-CB 4.27Å; L4-C106 VanDerWaalsContact O-CA 3.3Å; L4-C106 WeakPolarHBondContact O-CA 3.41Å; C104-C106 PolarHBondContact O-N 2.78Å; C106-S114 WeakPolarHBondContact O-CA 3.33Å; C106-C115 PolarHBondContact N-O 2.88Å; C106-C115 PolarHBondContact O-N 2.86Å; C106-C115 VanDerWaalsContact O-O 3.07Å; C106-L117 HydrophobicContact CB-CD1 4.33Å; C106-L117 HydrophobicContact CB-CG 4.25Å; C106-L117 WeakPolarHBondContact SG-CD1 3.43Å |
| 107 | S | 78.1 | Confident | 81.3 | Confident | 50 Ų | 50 | 64.2 Ų | 64.2 | 35% | 0.35 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 141.8 | 167.7 | 62 | 0 | 0 | 0 | 0 | 110.2 | L4 P109 | L4-S107 PolarHBondContact N-O 2.86Å; L4-S107 PolarHBondContact O-N 3.34Å; S107-P109 WeakPolarHBondContact O-CD 3.03Å |
| 108 | V | 75.6 | Confident | 81 | Confident | 18 Ų | 18 | 67.1 Ų | 67.1 | 11% | 0.109 | 38% | 0.378 | C | S | . | . | trans | -85.2 | 117.5 | 171.6 | 171.7 | 0 | 0 | 0 | 0 | 107.8 | M1 L3 T111 I113 | M1-V108 HydrophobicContact CE-CG1 4.12Å; M1-V108 HydrophobicContact CG-CG1 4.43Å; M1-V108 HydrophobicContact SD-CB 4.44Å; M1-V108 HydrophobicContact SD-CG1 3.47Å; M1-V108 WeakPolarHBondContact SD-CG1 3.2Å; M1-V108 HydrophobicContact SD-CG2 4.2Å; L3-V108 HydrophobicContact CD2-CB 4.44Å; L3-V108 HydrophobicContact CD2-CG2 3.6Å; V108-T111 VanDerWaalsContact CB-OG1 3.28Å; V108-T111 WeakPolarHBondContact CB-OG1 3.36Å; V108-T111 HydrophobicContact CG1-CG2 3.88Å; V108-T111 WeakPolarHBondContact CG1-OG1 3.12Å; V108-T111 PolarHBondContact O-N 3.24Å; V108-T111 PolarHBondContact O-OG1 3.04Å; V108-I113 PolarHBondContact N-O 3.35Å; V108-I113 VanDerWaalsContact N-O 3.16Å | ||
| 109 | P | 72.4 | Confident | 80.7 | Confident | 53 Ų | 53 | 65.9 Ų | 65.9 | 34% | 0.344 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.7 | 143 | 176.7 | -25.5 | 34.2 | 0 | 0 | 0 | 111.7 | K2 L4 S107 T111 | K2-P109 WeakPolarHBondContact O-CD 3.31Å; K2-P109 WeakPolarHBondContact O-CG 3.45Å; L4-P109 HydrophobicContact CG-CG 4.41Å; S107-P109 WeakPolarHBondContact O-CD 3.03Å; P109-T111 PolarHBondContact O-N 2.73Å |
| 110 | D | 76.9 | Confident | 80.7 | Confident | 172 Ų | 172 | 63 Ų | 63 | 92% | 0.92 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.8 | 18.5 | -179.3 | -48.9 | -38.7 | 0 | 0 | 0 | 115.8 | ||
| 111 | T | 74.7 | Confident | 80.8 | Confident | 63 Ų | 63 | 62.1 Ų | 62.1 | 39% | 0.387 | 36% | 0.362 | S | S | . | . | S | Bend | trans | -136.7 | 161.6 | 172.1 | 74.1 | 0 | 0 | 0 | 0 | 111.2 | V108 P109 I113 | V108-T111 VanDerWaalsContact CB-OG1 3.28Å; V108-T111 WeakPolarHBondContact CB-OG1 3.36Å; V108-T111 HydrophobicContact CG1-CG2 3.88Å; V108-T111 WeakPolarHBondContact CG1-OG1 3.12Å; V108-T111 PolarHBondContact O-N 3.24Å; V108-T111 PolarHBondContact O-OG1 3.04Å; P109-T111 PolarHBondContact O-N 2.73Å; T111-I113 PolarHBondContact O-N 3.28Å; T111-I113 WeakPolarHBondContact OG1-CB 3.29Å; T111-I113 PolarHBondContact OG1-N 2.66Å |
| 112 | T | 76 | Confident | 81.1 | Confident | 149 Ų | 149 | 58.4 Ų | 58.4 | 91% | 0.914 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -84.9 | 11.4 | 169.2 | 52.9 | 0 | 0 | 0 | 0 | 112.5 | S114 | T112-S114 PolarHBondContact O-N 3Š|
| 113 | I | 76.6 | Confident | 81.4 | Confident | 80 Ų | 80 | 58.4 Ų | 58.4 | 41% | 0.41 | 34% | 0.342 | S | S | . | . | trans | -85.6 | 113.6 | -175.6 | -57 | 173.3 | 0 | 0 | 0 | 108.6 | V108 T111 | V108-I113 PolarHBondContact N-O 3.35Å; V108-I113 VanDerWaalsContact N-O 3.16Å; T111-I113 PolarHBondContact O-N 3.28Å; T111-I113 WeakPolarHBondContact OG1-CB 3.29Å; T111-I113 PolarHBondContact OG1-N 2.66Å | ||
| 114 | S | 77 | Confident | 81.9 | Confident | 101 Ų | 101 | 57 Ų | 57 | 71% | 0.706 | 33% | 0.332 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 142 | 161.9 | 52.8 | 0 | 0 | 0 | 0 | 109.6 | C106 T112 | C106-S114 WeakPolarHBondContact O-CA 3.33Å; T112-S114 PolarHBondContact O-N 3Å |
| 115 | C | 81.8 | Confident | 82.5 | Confident | 41 Ų | 41 | 56.9 Ų | 56.9 | 28% | 0.277 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 156.5 | 171.5 | 60 | 0 | 0 | 0 | 0 | 109.6 | C106 | C106-C115 PolarHBondContact N-O 2.88Å; C106-C115 PolarHBondContact O-N 2.86Å; C106-C115 VanDerWaalsContact O-O 3.07Å |
| 116 | T | 80.9 | Confident | 83 | Confident | 78 Ų | 78 | 52.5 Ų | 52.5 | 48% | 0.479 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 118.6 | 170.6 | -55.4 | 0 | 0 | 0 | 0 | 107.5 | C104 N105 | C104-T116 WeakPolarHBondContact O-CA 3.39Å; N105-T116 PolarHBondContact OD1-OG1 3.46Å |
| 117 | L | 82.8 | Confident | 83.6 | Confident | 23 Ų | 23 | 52.4 Ų | 52.4 | 12% | 0.12 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 130.2 | 171 | -66.7 | -175.7 | 0 | 0 | 0 | 109 | L3 S103 C104 C106 L212 | L3-L117 HydrophobicContact CD1-CD1 3.74Å; L3-L117 HydrophobicContact CD1-CG 4.48Å; S103-L117 CarbonylContact C-O 3.55Å; S103-L117 VanDerWaalsContact CA-O 3.29Å; S103-L117 WeakPolarHBondContact CA-O 3.43Å; C104-L117 PolarHBondContact N-O 2.85Å; C104-L117 PolarHBondContact O-N 2.75Å; C106-L117 HydrophobicContact CB-CD1 4.33Å; C106-L117 HydrophobicContact CB-CG 4.25Å; C106-L117 WeakPolarHBondContact SG-CD1 3.43Å; L117-L212 HydrophobicContact CD2-CD1 3.51Å |
| 118 | E | 85.7 | Confident | 84 | Confident | 107 Ų | 107 | 53 Ų | 53 | 50% | 0.5 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 115 | 169 | -64.7 | -176 | 155.3 | 0 | 0 | 108.7 | Q102 | Q102-E118 WeakPolarHBondContact O-CA 3.37Å |
| 119 | E | 83.6 | Confident | 84.4 | Confident | 57 Ų | 57 | 55.5 Ų | 55.5 | 27% | 0.266 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 145.9 | 174.8 | -72.3 | -158.5 | 168.2 | 0 | 0 | 111.3 | H60 G61 Q102 | H60-E119 IonicContact CD2-OE2 3.2Å; H60-E119 PolarHBondContact CD2-OE2 2.89Å; H60-E119 IonicContact CE1-OE1 3.68Å; H60-E119 PolarHBondContact CE1-OE1 3.44Å; H60-E119 IonicContact CE1-OE2 3.01Å; H60-E119 PolarHBondContact CE1-OE2 3.35Å; H60-E119 IonicContact CG-OE2 3.29Å; H60-E119 IonicContact ND1-OE1 2.87Å; H60-E119 IonicContact ND1-OE2 3.34Å; H60-E119 PolarHBondContact ND1-OE2 3.26Å; H60-E119 WeakPolarHBondContact NE2-CG 3.45Å; H60-E119 IonicContact NE2-OE1 2.93Å; H60-E119 PolarHBondContact NE2-OE1 2.94Å; H60-E119 IonicContact NE2-OE2 3.05Å; H60-E119 PolarHBondContact NE2-OE2 2.82Å; G61-E119 PolarHBondContact N-OE2 3.13Å; G61-E119 VanDerWaalsContact N-OE2 3.16Å; Q102-E119 PolarHBondContact N-O 2.93Å; Q102-E119 PolarHBondContact O-N 3.14Å |
| 120 | P | 89.6 | Confident | 84.7 | Confident | 83 Ų | 83 | 59.4 Ų | 59.4 | 54% | 0.539 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 138.3 | 172.7 | 29.8 | -33.9 | 0 | 0 | 0 | 110.3 | V63 | V63-P120 WeakPolarHBondContact CG2-O 3.47Å |
| 121 | G | 91.2 | Very high | 84.5 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 155.2 | 166 | 0 | 0 | 0 | 0 | 0 | 110.7 | S58 L99 H100 | S58-G121 VanDerWaalsContact OG-CA 3.29Å; S58-G121 WeakPolarHBondContact OG-CA 3.49Å; L99-G121 WeakPolarHBondContact CA-O 3.43Å; H100-G121 PolarHBondContact N-O 3.27Å; H100-G121 PolarHBondContact O-N 2.8Å |
| 122 | I | 93.6 | Very high | 83.7 | Confident | 22 Ų | 22 | 54.2 Ų | 54.2 | 11% | 0.113 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 141.3 | 167.3 | -165.4 | 168.3 | 0 | 0 | 0 | 110.4 | S58 V63 T66 V67 R98 L99 I124 | S58-I122 WeakPolarHBondContact CB-O 3.47Å; S58-I122 PolarHBondContact N-O 2.89Å; S58-I122 PolarHBondContact OG-N 3.36Å; S58-I122 PolarHBondContact OG-O 3.4Å; V63-I122 HydrophobicContact CB-CG2 4.47Å; V63-I122 HydrophobicContact CG1-CB 4.39Å; V63-I122 HydrophobicContact CG1-CG2 3.87Å; T66-I122 HydrophobicContact CG2-CG2 4.08Å; V67-I122 HydrophobicContact CG2-CD1 4.12Å; V67-I122 HydrophobicContact CG2-CG2 4.28Å; R98-I122 WeakPolarHBondContact O-CA 3.32Å; L99-I122 HydrophobicContact CD2-CB 4.12Å; L99-I122 HydrophobicContact CD2-CD1 4.23Å; L99-I122 HydrophobicContact CD2-CG1 4.06Å; I122-I124 HydrophobicContact CD1-CD1 4.09Å; I122-I124 HydrophobicContact CD1-CG1 3.95Å; I122-I124 HydrophobicContact CG1-CD1 4.47Å; I122-I124 HydrophobicContact CG1-CG1 3.93Å |
| 123 | A | 92.4 | Very high | 82.9 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 126.5 | 165.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | I16 F17 W56 W57 S97 R98 | I16-A123 HydrophobicContact CD1-CB 4.32Å; I16-A123 HydrophobicContact CG2-CB 4.35Å; F17-A123 HydrophobicContact CE2-CB 3.78Å; F17-A123 HydrophobicContact CZ-CB 3.72Å; W56-A123 CarbonylContact O-C 3.59Å; W56-A123 VanDerWaalsContact O-CA 3.3Å; W56-A123 WeakPolarHBondContact O-CA 3.06Å; W57-A123 HydrophobicContact CD2-CB 4.13Å; W57-A123 HydrophobicContact CE3-CB 3.49Å; W57-A123 VanDerWaalsContact CE3-CB 3.49Å; W57-A123 HydrophobicContact CH2-CB 4.4Å; W57-A123 HydrophobicContact CZ3-CB 3.65Å; S97-A123 CarbonylContact C-O 3.58Å; S97-A123 WeakPolarHBondContact CA-O 3.5Å; R98-A123 PolarHBondContact N-O 3.4Å; R98-A123 PolarHBondContact O-N 3.23Å |
| 124 | I | 93.2 | Very high | 81.8 | Confident | 3 Ų | 3 | 55 Ų | 55 | 2% | 0.015 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 118.9 | 179.9 | -52.9 | 169.6 | 0 | 0 | 0 | 108.1 | I55 W56 V67 A70 Q95 I122 F126 | I55-I124 CarbonylContact C-O 3.5Å; W56-I124 HydrophobicContact CB-CB 4.23Å; W56-I124 PolarHBondContact N-O 2.97Å; W56-I124 PolarHBondContact O-N 3.44Å; V67-I124 HydrophobicContact CG2-CD1 4.12Å; A70-I124 HydrophobicContact CB-CB 4.32Å; A70-I124 HydrophobicContact CB-CD1 3.61Å; A70-I124 HydrophobicContact CB-CG2 4.16Å; Q95-I124 HydrophobicContact CG-CG2 4.15Å; I122-I124 HydrophobicContact CD1-CD1 4.09Å; I122-I124 HydrophobicContact CD1-CG1 3.95Å; I122-I124 HydrophobicContact CG1-CD1 4.47Å; I122-I124 HydrophobicContact CG1-CG1 3.93Å; I124-F126 HydrophobicContact CG2-CD2 4.41Å; I124-F126 HydrophobicContact CG2-CE2 3.79Å; I124-F126 HydrophobicContact CG2-CZ 3.98Å |
| 125 | L | 91.8 | Very high | 80.8 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 130.7 | -176 | -170.8 | 157.1 | 0 | 0 | 0 | 109.4 | F17 F21 T53 I54 I55 Q95 C96 F131 | F17-L125 HydrophobicContact CD1-CB 4.47Å; F17-L125 HydrophobicContact CD1-CD1 4.06Å; F17-L125 HydrophobicContact CD2-CD1 4.09Å; F17-L125 HydrophobicContact CE1-CB 3.71Å; F17-L125 HydrophobicContact CE1-CD1 4.08Å; F17-L125 HydrophobicContact CE2-CB 4.33Å; F17-L125 HydrophobicContact CE2-CD1 4.09Å; F17-L125 HydrophobicContact CG-CD1 4.07Å; F17-L125 HydrophobicContact CZ-CB 3.63Å; F17-L125 HydrophobicContact CZ-CD1 4.1Å; F21-L125 HydrophobicContact CD1-CD1 4.07Å; F21-L125 HydrophobicContact CD2-CD1 3.92Å; F21-L125 HydrophobicContact CE1-CD1 3.76Å; F21-L125 HydrophobicContact CE1-CD2 4.34Å; F21-L125 HydrophobicContact CE2-CD1 3.63Å; F21-L125 HydrophobicContact CG-CD1 4.14Å; F21-L125 HydrophobicContact CZ-CD1 3.53Å; T53-L125 HydrophobicContact CG2-CD1 4.24Å; T53-L125 HydrophobicContact CG2-CD2 3.85Å; T53-L125 HydrophobicContact CG2-CG 3.93Å; I54-L125 WeakPolarHBondContact O-CA 3.26Å; I55-L125 HydrophobicContact CD1-CD1 3.81Å; I55-L125 HydrophobicContact CD1-CG 4.41Å; I55-L125 HydrophobicContact CG1-CB 4.37Å; I55-L125 HydrophobicContact CG1-CD1 3.8Å; I55-L125 HydrophobicContact CG1-CG 3.83Å; Q95-L125 CarbonylContact C-O 3.56Å; Q95-L125 WeakPolarHBondContact CA-O 3.18Å; C96-L125 HydrophobicContact CB-CB 4.49Å; C96-L125 PolarHBondContact N-O 3.16Å; C96-L125 PolarHBondContact O-N 2.91Å; L125-F131 HydrophobicContact CD2-CD1 3.81Å; L125-F131 HydrophobicContact CD2-CE1 2.91Å; L125-F131 HydrophobicContact CD2-CE2 4.05Å; L125-F131 HydrophobicContact CD2-CZ 3.06Å; L125-F131 HydrophobicContact CG-CE1 4.37Å |
| 126 | F | 91.6 | Very high | 79.4 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 137.5 | 171.5 | -67.6 | -76.3 | 0 | 0 | 0 | 110.2 | T53 I54 W56 A70 F73 K74 M93 Y94 Q95 I124 | T53-F126 VanDerWaalsContact CA-O 3.29Å; T53-F126 WeakPolarHBondContact CA-O 3.48Å; I54-F126 PolarHBondContact N-O 3.17Å; I54-F126 PolarHBondContact O-N 2.88Å; W56-F126 AromaticContact CD1-CD2 3.75Å; W56-F126 AromaticContact CD1-CE2 3.7Å; W56-F126 AromaticContact NE1-CD2 3.87Å; W56-F126 AromaticContact NE1-CE2 3.86Å; A70-F126 HydrophobicContact CB-CE2 3.82Å; A70-F126 HydrophobicContact CB-CZ 4.24Å; F73-F126 AromaticContact CD1-CD2 3.65Å; F73-F126 HydrophobicContact CD1-CD2 3.65Å; F73-F126 AromaticContact CD1-CE2 3.8Å; F73-F126 HydrophobicContact CD1-CE2 3.8Å; F73-F126 HydrophobicContact CD1-CG 4.15Å; F73-F126 HydrophobicContact CD1-CZ 4.42Å; F73-F126 HydrophobicContact CE1-CB 3.86Å; F73-F126 HydrophobicContact CE1-CD1 4.41Å; F73-F126 AromaticContact CE1-CD2 3.6Å; F73-F126 HydrophobicContact CE1-CD2 3.6Å; F73-F126 HydrophobicContact CE1-CE2 4.2Å; F73-F126 AromaticContact CE1-CG 3.7Å; F73-F126 HydrophobicContact CE1-CG 3.7Å; K74-F126 HydrophobicContact CB-CE1 4.23Å; K74-F126 HydrophobicContact CB-CZ 4.07Å; K74-F126 HydrophobicContact CD-CE1 4.15Å; K74-F126 HydrophobicContact CD-CZ 4.34Å; K74-F126 HydrophobicContact CG-CE1 4.4Å; M93-F126 HydrophobicContact CE-CD1 3.63Å; M93-F126 HydrophobicContact CE-CE1 3.81Å; M93-F126 HydrophobicContact CG-CB 4.36Å; M93-F126 HydrophobicContact CG-CD1 4.09Å; M93-F126 HydrophobicContact SD-CB 4.1Å; M93-F126 HydrophobicContact SD-CD1 3.72Å; M93-F126 HydrophobicContact SD-CE1 4.46Å; M93-F126 HydrophobicContact SD-CG 4.13Å; Y94-F126 VanDerWaalsContact O-CA 3.31Å; Y94-F126 WeakPolarHBondContact O-CA 3.44Å; Q95-F126 HydrophobicContact CB-CD1 4.03Å; Q95-F126 HydrophobicContact CB-CE1 3.88Å; Q95-F126 HydrophobicContact CG-CD1 4.15Å; Q95-F126 HydrophobicContact CG-CE1 3.68Å; Q95-F126 HydrophobicContact CG-CZ 4.21Å; I124-F126 HydrophobicContact CG2-CD2 4.41Å; I124-F126 HydrophobicContact CG2-CE2 3.79Å; I124-F126 HydrophobicContact CG2-CZ 3.98Å |
| 127 | S | 89.2 | Confident | 78.1 | Confident | 1 Ų | 1 | 55.5 Ų | 55.5 | 1% | 0.007 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 153.5 | 174.4 | -179.2 | 0 | 0 | 0 | 0 | 112.5 | D52 M93 Y94 S129 | D52-S127 VanDerWaalsContact O-CA 3.27Å; D52-S127 WeakPolarHBondContact O-CA 3.42Å; D52-S127 PolarHBondContact O-OG 2.74Å; M93-S127 WeakPolarHBondContact CA-O 3.4Å; Y94-S127 PolarHBondContact N-O 2.77Å; Y94-S127 PolarHBondContact O-N 2.96Å; S127-S129 VanDerWaalsContact C-N 3.33Å; S127-S129 WeakPolarHBondContact CB-O 3.45Å; S127-S129 PolarHBondContact OG-N 2.89Å; S127-S129 PolarHBondContact OG-O 3.05Å; S127-S129 VanDerWaalsContact OG-O 3.09Å; S127-S129 PolarHBondContact OG-OG 3.05Å |
| 128 | K | 86.8 | Confident | 76.8 | Confident | 62 Ų | 62 | 61.1 Ų | 61.1 | 27% | 0.27 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -76.7 | -22.6 | 168.4 | -57.9 | -178.3 | -166.1 | 150.8 | 0 | 112.5 | F46 D52 | F46-K128 HydrophobicContact CE1-CG 4.07Å; F46-K128 HydrophobicContact CE2-CG 3.93Å; F46-K128 HydrophobicContact CZ-CD 4.38Å; F46-K128 HydrophobicContact CZ-CG 3.47Å; F46-K128 VanDerWaalsContact CZ-CG 3.47Å; F46-K128 WeakPolarHBondContact O-CE 3.42Å; F46-K128 PolarHBondContact O-NZ 3.5Å; D52-K128 PolarHBondContact O-N 3.24Å; D52-K128 WeakPolarHBondContact OD1-CD 3.48Å; D52-K128 IonicContact OD1-NZ 2.85Å; D52-K128 PolarHBondContact OD1-NZ 2.75Å |
| 129 | S | 84 | Confident | 75.3 | Confident | 70 Ų | 70 | 57.5 Ų | 57.5 | 49% | 0.49 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -103.9 | 149.9 | 176.8 | 60.8 | 0 | 0 | 0 | 0 | 111.6 | Y94 S127 | Y94-S129 WeakPolarHBondContact CD2-O 3.3Å; S127-S129 VanDerWaalsContact C-N 3.33Å; S127-S129 WeakPolarHBondContact CB-O 3.45Å; S127-S129 PolarHBondContact OG-N 2.89Å; S127-S129 PolarHBondContact OG-O 3.05Å; S127-S129 VanDerWaalsContact OG-O 3.09Å; S127-S129 PolarHBondContact OG-OG 3.05Å |
| 130 | Q | 78.7 | Confident | 74 | Confident | 135 Ų | 135 | 56.3 Ų | 56.3 | 63% | 0.631 | 32% | 0.315 | S | S | * | . | P | Polyproline II helix | trans | -64.6 | 138.6 | 175.2 | -173.4 | 172.1 | -0.6 | 0 | 0 | 110.4 | Y94 | Y94-Q130 HydrophobicContact CD1-CB 4.15Å; Y94-Q130 HydrophobicContact CD1-CG 4.16Å; Y94-Q130 HydrophobicContact CD2-CB 4.45Å; Y94-Q130 HydrophobicContact CE1-CB 3.75Å; Y94-Q130 HydrophobicContact CE1-CG 3.84Å; Y94-Q130 HydrophobicContact CE2-CB 4.11Å; Y94-Q130 HydrophobicContact CG-CB 4.47Å |
| 131 | F | 72.4 | Confident | 72.1 | Confident | 19 Ų | 19 | 59 Ų | 59 | 8% | 0.083 | 33% | 0.325 | C | S | . | . | P | Polyproline II helix | trans | -78.4 | 141.8 | 175.1 | -42.6 | -68.6 | 0 | 0 | 0 | 110.9 | F21 Y94 C96 L125 G133 C136 | F21-F131 HydrophobicContact CE1-CD1 4.14Å; F21-F131 HydrophobicContact CE1-CE1 4.43Å; F21-F131 HydrophobicContact CZ-CD1 4.41Å; Y94-F131 VanDerWaalsContact CB-CE2 3.45Å; C96-F131 HydrophobicContact CB-CD2 4.01Å; C96-F131 HydrophobicContact CB-CE2 3.94Å; L125-F131 HydrophobicContact CD2-CD1 3.81Å; L125-F131 HydrophobicContact CD2-CE1 2.91Å; L125-F131 HydrophobicContact CD2-CE2 4.05Å; L125-F131 HydrophobicContact CD2-CZ 3.06Å; L125-F131 HydrophobicContact CG-CE1 4.37Å; F131-G133 PolarHBondContact O-N 3.33Å; F131-G133 VanDerWaalsContact O-N 3.17Å; F131-C136 VanDerWaalsContact CB-SG 3.55Å; F131-C136 HydrophobicContact CD2-CB 4.35Å |
| 132 | P | 58.5 | Low | 69.7 | Low | 108 Ų | 108 | 65.1 Ų | 65.1 | 70% | 0.701 | 35% | 0.351 | S | S | * | . | S | Bend | trans | -70.5 | 105.2 | 161.3 | 28.9 | -29.9 | 0 | 0 | 0 | 108.5 | ||
| 133 | G | 59 | Low | 67.1 | Low | 49 Ų | 49 | 67.6 Ų | 67.6 | 51% | 0.505 | 38% | 0.382 | S | S | . | . | S | Bend | trans | 157.8 | 153.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | F131 D135 C136 | F131-G133 PolarHBondContact O-N 3.33Å; F131-G133 VanDerWaalsContact O-N 3.17Å; G133-D135 VanDerWaalsContact C-N 3.3Å; G133-D135 PolarHBondContact O-N 2.93Å; G133-C136 PolarHBondContact O-SG 3.07Å |
| 134 | E | 54.2 | Low | 64.4 | Low | 196 Ų | 196 | 69.9 Ų | 69.9 | 92% | 0.916 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.3 | -11.9 | -169.8 | -64.8 | -175.6 | 160.8 | 0 | 0 | 115.1 | ||
| 135 | D | 56 | Low | 61.7 | Low | 92 Ų | 92 | 78.1 Ų | 78.1 | 49% | 0.492 | 45% | 0.45 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.6 | 26.4 | -173.7 | -58.5 | -54.4 | 0 | 0 | 0 | 113.9 | R98 G133 Q137 | R98-D135 IonicContact CZ-OD2 3.57Å; R98-D135 IonicContact NH1-OD2 2.73Å; R98-D135 PolarHBondContact NH1-OD2 3.1Å; R98-D135 IonicContact NH2-OD2 3.09Å; R98-D135 PolarHBondContact NH2-OD2 2.73Å; G133-D135 VanDerWaalsContact C-N 3.3Å; G133-D135 PolarHBondContact O-N 2.93Å; D135-Q137 PolarHBondContact O-N 3.35Å |
| 136 | C | 51.7 | Low | 59.1 | Low | 30 Ų | 30 | 80.5 Ų | 80.5 | 20% | 0.203 | 47% | 0.466 | C | S | . | . | trans | -69.9 | 121.6 | 171 | -56.5 | 0 | 0 | 0 | 0 | 108.5 | F131 G133 L138 | F131-C136 VanDerWaalsContact CB-SG 3.55Å; F131-C136 HydrophobicContact CD2-CB 4.35Å; G133-C136 PolarHBondContact O-SG 3.07Å; C136-L138 PolarHBondContact O-N 3.35Å | ||
| 137 | Q | 54.6 | Low | 56.9 | Low | 108 Ų | 108 | 89 Ų | 89 | 51% | 0.505 | 50% | 0.504 | S | S | . | . | B | Isolated β-bridge | trans | -62.8 | 124.6 | 157 | -74.7 | -179.4 | -18.6 | 0 | 0 | 106.1 | Q95 D135 | Q95-Q137 PolarHBondContact O-N 3.26Å; D135-Q137 PolarHBondContact O-N 3.35Å |
| 138 | L | 54.2 | Low | 54.7 | Low | 142 Ų | 142 | 91.5 Ų | 91.5 | 74% | 0.743 | 52% | 0.521 | S | S | * | . | trans | -44.2 | 152.1 | 173.9 | -72 | 168.6 | 0 | 0 | 0 | 109.8 | C136 V140 | C136-L138 PolarHBondContact O-N 3.35Å; L138-V140 PolarHBondContact O-N 3.34Å; L138-V140 VanDerWaalsContact O-N 3.14Å | ||
| 139 | P | 55.1 | Low | 52.7 | Low | 30 Ų | 30 | 94.2 Ų | 94.2 | 20% | 0.195 | 54% | 0.539 | C | S | . | . | trans | -44.8 | 130.1 | 177.6 | 19.1 | -31.6 | 0 | 0 | 0 | 108.8 | K92 Y94 D141 | K92-P139 HydrophobicContact CB-CB 4.41Å; Y94-P139 HydrophobicContact CE1-CB 4.44Å; Y94-P139 HydrophobicContact CE1-CG 4.42Å; P139-D141 PolarHBondContact O-N 2.89Å | ||
| 140 | V | 56.3 | Low | 50.8 | Low | 33 Ų | 33 | 99.9 Ų | 99.9 | 20% | 0.2 | 56% | 0.555 | C | S | . | * | trans | -58.2 | 101 | -174.1 | 177 | 0 | 0 | 0 | 0 | 107.4 | L138 F142 | L138-V140 PolarHBondContact O-N 3.34Å; L138-V140 VanDerWaalsContact O-N 3.14Å; V140-F142 HydrophobicContact CG1-CZ 4.39Å; V140-F142 WeakPolarHBondContact O-CD2 3.2Å; V140-F142 WeakPolarHBondContact O-CE2 3.36Å; V140-F142 PolarHBondContact O-N 3.18Å | ||
| 141 | D | 49.3 | Very low | 49.2 | Very low | 140 Ų | 140 | 98 Ų | 98 | 75% | 0.749 | 55% | 0.553 | S | S | * | * | trans | -73.5 | 117.5 | -176.6 | -82.4 | -29.9 | 0 | 0 | 0 | 109.9 | P139 G143 | P139-D141 PolarHBondContact O-N 2.89Å; D141-G143 PolarHBondContact O-N 3.19Å | ||
| 142 | F | 42.1 | Very low | 47.6 | Very low | 127 Ų | 127 | 103.4 Ų | 103.4 | 56% | 0.557 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.1 | 83.8 | 177.9 | -65.7 | -80.8 | 0 | 0 | 0 | 110.3 | L78 V140 | L78-F142 HydrophobicContact CB-CE1 3.53Å; L78-F142 HydrophobicContact CB-CZ 3.82Å; L78-F142 HydrophobicContact CD1-CE1 3.46Å; L78-F142 VanDerWaalsContact CD1-CE1 3.46Å; L78-F142 HydrophobicContact CD1-CZ 3.35Å; L78-F142 HydrophobicContact CD2-CE1 3.82Å; L78-F142 HydrophobicContact CD2-CE2 3.96Å; L78-F142 HydrophobicContact CD2-CZ 3.12Å; L78-F142 HydrophobicContact CG-CE1 3.67Å; L78-F142 HydrophobicContact CG-CZ 3.47Å; L78-F142 VanDerWaalsContact CG-CZ 3.47Å; V140-F142 HydrophobicContact CG1-CZ 4.39Å; V140-F142 WeakPolarHBondContact O-CD2 3.2Å; V140-F142 WeakPolarHBondContact O-CE2 3.36Å; V140-F142 PolarHBondContact O-N 3.18Å |
| 143 | G | 38.5 | Very low | 46.7 | Very low | 74 Ų | 74 | 105.9 Ų | 105.9 | 76% | 0.763 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 179.2 | -15.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 117 | D141 | D141-G143 PolarHBondContact O-N 3.19Š|
| 144 | G | 34.7 | Very low | 45.7 | Very low | 48 Ų | 48 | 106.5 Ų | 106.5 | 50% | 0.495 | 59% | 0.594 | S | S | . | * | trans | -102.4 | 94.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | S146 | G144-S146 PolarHBondContact O-N 3.45Š| ||
| 145 | N | 36.9 | Very low | 45 | Very low | 176 Ų | 176 | 101.1 Ų | 101.1 | 94% | 0.941 | 58% | 0.584 | S | S | * | * | trans | -71.7 | 36.6 | 161.2 | -69.5 | 1.9 | 0 | 0 | 0 | 111.6 | ||||
| 146 | S | 37.7 | Very low | 43.9 | Very low | 50 Ų | 50 | 103.3 Ų | 103.3 | 35% | 0.35 | 60% | 0.6 | S | S | . | * | trans | -132.5 | 104 | -160.1 | -108.2 | 0 | 0 | 0 | 0 | 111.1 | G144 S148 D149 | G144-S146 PolarHBondContact O-N 3.45Å; S146-S148 WeakPolarHBondContact CB-OG 3.29Å; S146-S148 PolarHBondContact O-N 3.01Å; S146-S148 WeakPolarHBondContact OG-CB 3.18Å; S146-S148 PolarHBondContact OG-OG 3.3Å; S146-D149 PolarHBondContact O-N 3.34Å | ||
| 147 | F | 44.3 | Very low | 43.4 | Very low | 179 Ų | 179 | 107.2 Ų | 107.2 | 79% | 0.785 | 63% | 0.628 | S | S | * | * | G | 310 helix | trans | -48 | -13.4 | 146.6 | -165.1 | -97.1 | 0 | 0 | 0 | 112.2 | D149 F150 | F147-D149 VanDerWaalsContact C-N 3.3Å; F147-D149 PolarHBondContact O-N 3.29Å; F147-F150 PolarHBondContact O-N 3.05Å |
| 148 | S | 43.5 | Very low | 42.4 | Very low | 53 Ų | 53 | 111.9 Ų | 111.9 | 37% | 0.371 | 65% | 0.65 | S | S | . | * | G | 310 helix | trans | -65.8 | -17.8 | 178.4 | -34.5 | 0 | 0 | 0 | 0 | 115.6 | S146 F150 T151 N152 | S146-S148 WeakPolarHBondContact CB-OG 3.29Å; S146-S148 PolarHBondContact O-N 3.01Å; S146-S148 WeakPolarHBondContact OG-CB 3.18Å; S146-S148 PolarHBondContact OG-OG 3.3Å; S148-F150 PolarHBondContact O-N 2.93Å; S148-T151 VanDerWaalsContact CA-OG1 3.26Å; S148-T151 WeakPolarHBondContact CA-OG1 3.43Å; S148-T151 PolarHBondContact O-N 3.06Å; S148-T151 PolarHBondContact O-OG1 2.9Å; S148-N152 PolarHBondContact O-N 2.81Å |
| 149 | D | 44.1 | Very low | 41.9 | Very low | 120 Ų | 120 | 109.3 Ų | 109.3 | 64% | 0.642 | 64% | 0.644 | S | S | * | * | G | 310 helix | trans | -70 | -18.3 | 175.4 | -70 | -16.6 | 0 | 0 | 0 | 112.4 | S146 F147 T151 | S146-D149 PolarHBondContact O-N 3.34Å; F147-D149 VanDerWaalsContact C-N 3.3Å; F147-D149 PolarHBondContact O-N 3.29Å; D149-T151 VanDerWaalsContact C-N 3.31Å |
| 150 | F | 44.6 | Very low | 41 | Very low | 189 Ų | 189 | 116.2 Ų | 116.2 | 83% | 0.829 | 68% | 0.679 | S | S | * | * | G | 310 helix | trans | -82.9 | -6.2 | 168.5 | -76.2 | -82.2 | 0 | 0 | 0 | 113.7 | F147 S148 | F147-F150 PolarHBondContact O-N 3.05Å; S148-F150 PolarHBondContact O-N 2.93Å |
| 151 | T | 45.5 | Very low | 40.4 | Very low | 95 Ų | 95 | 121.2 Ų | 121.2 | 58% | 0.583 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.9 | -3.6 | -175.8 | 58.2 | 0 | 0 | 0 | 0 | 114.4 | S148 D149 I153 | S148-T151 VanDerWaalsContact CA-OG1 3.26Å; S148-T151 WeakPolarHBondContact CA-OG1 3.43Å; S148-T151 PolarHBondContact O-N 3.06Å; S148-T151 PolarHBondContact O-OG1 2.9Å; D149-T151 VanDerWaalsContact C-N 3.31Å; T151-I153 VanDerWaalsContact C-N 3.3Å; T151-I153 PolarHBondContact O-N 3.45Å |
| 152 | N | 38.5 | Very low | 40 | Very low | 132 Ų | 132 | 122.3 Ų | 122.3 | 71% | 0.706 | 71% | 0.71 | S | S | * | * | trans | -83.9 | 79.8 | 174.9 | -122 | -33.2 | 0 | 0 | 0 | 110 | S148 G154 | S148-N152 PolarHBondContact O-N 2.81Å; N152-G154 PolarHBondContact O-N 3.33Å | ||
| 153 | I | 40.1 | Very low | 40.4 | Very low | 160 Ų | 160 | 124.7 Ų | 124.7 | 82% | 0.821 | 72% | 0.722 | S | S | * | * | trans | -65.3 | 88.5 | 158.6 | -60.6 | 174.2 | 0 | 0 | 0 | 105.5 | T151 A155 | T151-I153 VanDerWaalsContact C-N 3.3Å; T151-I153 PolarHBondContact O-N 3.45Å; I153-A155 PolarHBondContact O-N 2.99Å | ||
| 154 | G | 37.7 | Very low | 41.2 | Very low | 62 Ų | 62 | 126.5 Ų | 126.5 | 64% | 0.639 | 72% | 0.721 | S | S | * | * | trans | -52.3 | 129.1 | 167.3 | 0 | 0 | 0 | 0 | 0 | 109 | N152 | N152-G154 PolarHBondContact O-N 3.33Š| ||
| 155 | A | 39 | Very low | 41.8 | Very low | 84 Ų | 84 | 130.8 Ų | 130.8 | 69% | 0.694 | 74% | 0.74 | S | S | * | * | trans | -55.3 | 157.3 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | I153 | I153-A155 PolarHBondContact O-N 2.99Š| ||
| 156 | T | 34.2 | Very low | 42 | Very low | 137 Ų | 137 | 128.1 Ų | 128.1 | 84% | 0.84 | 74% | 0.735 | S | S | * | * | trans | 77 | 94.2 | 159.5 | 58.2 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 157 | S | 39.7 | Very low | 42.6 | Very low | 112 Ų | 112 | 136.2 Ų | 136.2 | 78% | 0.783 | 76% | 0.758 | S | S | * | * | -172 | 124.3 | 112.2 | 32.4 | 0 | 0 | 0 | 0 | 109.7 | S159 | S157-S159 PolarHBondContact O-N 3.09Š| |||
| 158 | Q | 34.8 | Very low | 42.7 | Very low | 206 Ų | 206 | 139.8 Ų | 139.8 | 96% | 0.963 | 77% | 0.766 | S | S | * | * | trans | -65 | 110.7 | 170.9 | -71.5 | 177.5 | -14 | 0 | 0 | 108.6 | ||||
| 159 | S | 43.6 | Very low | 42.7 | Very low | 89 Ų | 89 | 147.3 Ų | 147.3 | 62% | 0.622 | 79% | 0.786 | S | S | * | * | trans | -140.1 | 121.3 | 157 | 62.1 | 0 | 0 | 0 | 0 | 109.2 | S157 L161 | S157-S159 PolarHBondContact O-N 3.09Å; S159-L161 PolarHBondContact O-N 2.87Å | ||
| 160 | N | 36.3 | Very low | 42.8 | Very low | 174 Ų | 174 | 149.8 Ų | 149.8 | 93% | 0.93 | 80% | 0.799 | S | S | * | * | trans | -60.1 | 101.8 | 174.9 | -71.9 | -56 | 0 | 0 | 0 | 109.2 | ||||
| 161 | L | 43.6 | Very low | 42.8 | Very low | 138 Ų | 138 | 145.8 Ų | 145.8 | 72% | 0.723 | 79% | 0.794 | S | S | * | * | trans | -131.8 | 108 | 169.9 | -91.2 | 152.8 | 0 | 0 | 0 | 109.4 | S159 H163 | S159-L161 PolarHBondContact O-N 2.87Å; L161-H163 PolarHBondContact O-N 2.75Å; L161-H163 PolarHBondContact O-ND1 3.16Å | ||
| 162 | D | 41.5 | Very low | 42.8 | Very low | 163 Ų | 163 | 152.8 Ų | 152.8 | 87% | 0.872 | 81% | 0.81 | S | S | * | * | trans | -41.1 | 124.7 | 172.9 | -88.8 | -41.4 | 0 | 0 | 0 | 111.7 | P164 | D162-P164 WeakPolarHBondContact O-CD 3.42Š| ||
| 163 | H | 50.6 | Low | 43.2 | Very low | 177 Ų | 177 | 152.7 Ų | 152.7 | 82% | 0.819 | 81% | 0.814 | S | S | * | * | trans | -74.2 | 123.4 | 179.5 | -69.9 | 8.4 | 0 | 0 | 0 | 110.6 | L161 | L161-H163 PolarHBondContact O-N 2.75Å; L161-H163 PolarHBondContact O-ND1 3.16Å | ||
| 164 | P | 54.6 | Low | 44 | Very low | 112 Ų | 112 | 152.5 Ų | 152.5 | 73% | 0.727 | 81% | 0.813 | S | S | * | * | trans | -70.5 | 139.6 | 166.6 | 29.2 | -30.7 | 0 | 0 | 0 | 109.3 | D162 S166 | D162-P164 WeakPolarHBondContact O-CD 3.42Å; P164-S166 PolarHBondContact O-N 2.93Å | ||
| 165 | P | 46.8 | Very low | 44.7 | Very low | 138 Ų | 138 | 161 Ų | 161 | 90% | 0.896 | 83% | 0.826 | S | S | * | * | trans | -80.6 | 95.3 | -171.9 | 32.3 | -32.2 | 0 | 0 | 0 | 109.8 | ||||
| 166 | S | 42.4 | Very low | 45.5 | Very low | 120 Ų | 120 | 166.8 Ų | 166.8 | 84% | 0.839 | 84% | 0.835 | S | S | * | * | trans | -133.7 | 72.8 | 168.4 | -163.5 | 0 | 0 | 0 | 0 | 111 | P164 | P164-S166 PolarHBondContact O-N 2.93Š| ||
| 167 | R | 49.1 | Very low | 46.6 | Very low | 221 Ų | 221 | 169.7 Ų | 169.7 | 83% | 0.834 | 84% | 0.837 | S | S | * | * | trans | -116.2 | 92 | 164.1 | -153.9 | 177.2 | -162.5 | -147.8 | 4.4 | 108.3 | R169 | R167-R169 VanDerWaalsContact C-N 3.25Å; R167-R169 PolarHBondContact O-N 2.97Å | ||
| 168 | R | 46.1 | Very low | 47.3 | Very low | 254 Ų | 254 | 175.5 Ų | 175.5 | 96% | 0.958 | 84% | 0.841 | S | S | * | * | trans | -64.4 | 90.4 | 167.5 | -134.9 | -176.4 | -145.2 | 160.6 | 6.9 | 107.7 | L170 | R168-L170 PolarHBondContact O-N 3.44Š| ||
| 169 | R | 44.4 | Very low | 47.9 | Very low | 210 Ų | 210 | 173.3 Ų | 173.3 | 79% | 0.792 | 84% | 0.836 | S | S | * | * | trans | -83.2 | 111.7 | 178.6 | -148.7 | 178.6 | 165.9 | -164.9 | -5.4 | 107.4 | R167 S171 | R167-R169 VanDerWaalsContact C-N 3.25Å; R167-R169 PolarHBondContact O-N 2.97Å; R169-S171 PolarHBondContact O-N 3.49Å | ||
| 170 | L | 45.5 | Very low | 48.2 | Very low | 173 Ų | 173 | 175.2 Ų | 175.2 | 91% | 0.906 | 84% | 0.844 | S | S | * | * | trans | -61 | 101 | 168.3 | -82.2 | 158.5 | 0 | 0 | 0 | 108.4 | R168 R172 | R168-L170 PolarHBondContact O-N 3.44Å; L170-R172 PolarHBondContact O-N 2.98Å | ||
| 171 | S | 45.9 | Very low | 48.6 | Very low | 104 Ų | 104 | 173 Ų | 173 | 73% | 0.727 | 84% | 0.836 | S | S | * | * | trans | -77.1 | 112.6 | 170.5 | 44 | 0 | 0 | 0 | 0 | 108.8 | R169 T173 | R169-S171 PolarHBondContact O-N 3.49Å; S171-T173 PolarHBondContact O-N 3.46Å | ||
| 172 | R | 45.5 | Very low | 48.5 | Very low | 242 Ų | 242 | 177.5 Ų | 177.5 | 91% | 0.913 | 84% | 0.844 | S | S | * | * | trans | -62.3 | 102.5 | 169.6 | -74.4 | -179.3 | 172.9 | -179.9 | -2.3 | 108.3 | L170 I174 | L170-R172 PolarHBondContact O-N 2.98Å; R172-I174 PolarHBondContact O-N 3.18Å | ||
| 173 | T | 47 | Very low | 48.6 | Very low | 130 Ų | 130 | 177 Ų | 177 | 80% | 0.798 | 84% | 0.841 | S | S | * | * | trans | -73.5 | 106.8 | 170.5 | -24.6 | 0 | 0 | 0 | 0 | 108.1 | S171 R175 | S171-T173 PolarHBondContact O-N 3.46Å; T173-R175 PolarHBondContact O-N 3.34Å; T173-R175 VanDerWaalsContact O-N 3.16Å | ||
| 174 | I | 54.9 | Low | 48.1 | Very low | 156 Ų | 156 | 173.3 Ų | 173.3 | 80% | 0.8 | 84% | 0.836 | S | S | * | * | trans | -64.9 | 113 | 170.2 | -59.9 | 173.3 | 0 | 0 | 0 | 106.9 | R172 K176 | R172-I174 PolarHBondContact O-N 3.18Å; I174-K176 PolarHBondContact O-N 3.3Å; I174-K176 VanDerWaalsContact O-N 3.08Å | ||
| 175 | R | 54 | Low | 47.6 | Very low | 242 Ų | 242 | 175.3 Ų | 175.3 | 91% | 0.913 | 84% | 0.84 | S | S | * | * | trans | -61 | 111.3 | 172.2 | -82.6 | -179.6 | 165.4 | 176 | -3.1 | 108.8 | T173 K177 | T173-R175 PolarHBondContact O-N 3.34Å; T173-R175 VanDerWaalsContact O-N 3.16Å; R175-K177 PolarHBondContact O-N 2.83Å | ||
| 176 | K | 55.6 | Low | 47.5 | Very low | 204 Ų | 204 | 177.5 Ų | 177.5 | 89% | 0.887 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 122.4 | 163.7 | -107.8 | 179.6 | 174.4 | 176.8 | 0 | 108.5 | I174 R178 | I174-K176 PolarHBondContact O-N 3.3Å; I174-K176 VanDerWaalsContact O-N 3.08Å; K176-R178 PolarHBondContact O-N 2.79Å |
| 177 | K | 57.7 | Low | 47.5 | Very low | 199 Ų | 199 | 179.7 Ų | 179.7 | 87% | 0.865 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -51.3 | 122.3 | 166.3 | -96.3 | 178.2 | 170.2 | 177.6 | 0 | 108.2 | R175 N179 | R175-K177 PolarHBondContact O-N 2.83Å; K177-N179 PolarHBondContact O-N 3.41Å |
| 178 | R | 53.7 | Low | 47.1 | Very low | 234 Ų | 234 | 177.1 Ų | 177.1 | 88% | 0.883 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 123.8 | 161.8 | -87.3 | -177.8 | -178.5 | 139.8 | 0.6 | 107.2 | K176 T180 | K176-R178 PolarHBondContact O-N 2.79Å; R178-T180 PolarHBondContact O-N 2.85Å |
| 179 | N | 46.9 | Very low | 46.8 | Very low | 160 Ų | 160 | 169.8 Ų | 169.8 | 86% | 0.856 | 83% | 0.829 | S | S | * | * | trans | -61.6 | 105 | 161.9 | -80.2 | -21.6 | 0 | 0 | 0 | 107.6 | K177 V181 | K177-N179 PolarHBondContact O-N 3.41Å; N179-V181 PolarHBondContact O-N 3.08Å | ||
| 180 | T | 49.7 | Very low | 46.5 | Very low | 129 Ų | 129 | 167.7 Ų | 167.7 | 79% | 0.791 | 83% | 0.826 | S | S | * | * | trans | -71.1 | 110.3 | 161.5 | 40.2 | 0 | 0 | 0 | 0 | 107.6 | R178 R182 | R178-T180 PolarHBondContact O-N 2.85Å; T180-R182 PolarHBondContact O-N 3.39Å | ||
| 181 | V | 45.8 | Very low | 46.2 | Very low | 126 Ų | 126 | 169.5 Ų | 169.5 | 76% | 0.764 | 83% | 0.827 | S | S | * | * | trans | -60.4 | 124.9 | 161.1 | 176.4 | 0 | 0 | 0 | 0 | 106.8 | N179 D183 | N179-V181 PolarHBondContact O-N 3.08Å; V181-D183 PolarHBondContact O-N 2.89Å | ||
| 182 | R | 40.8 | Very low | 45.8 | Very low | 233 Ų | 233 | 169.9 Ų | 169.9 | 88% | 0.879 | 82% | 0.824 | S | S | * | * | trans | -83.6 | 88.5 | -172.9 | -168.5 | -173.8 | -160.7 | -175.1 | 4.5 | 107.9 | T180 | T180-R182 PolarHBondContact O-N 3.39Š| ||
| 183 | D | 43.8 | Very low | 45.3 | Very low | 152 Ų | 152 | 166 Ų | 166 | 81% | 0.813 | 82% | 0.816 | S | S | * | * | trans | -91.3 | 102.5 | 163.3 | -78.8 | -32 | 0 | 0 | 0 | 108.9 | V181 N185 | V181-D183 PolarHBondContact O-N 2.89Å; D183-N185 PolarHBondContact O-N 3.06Å | ||
| 184 | S | 40.6 | Very low | 44.7 | Very low | 101 Ų | 101 | 166.5 Ų | 166.5 | 71% | 0.706 | 81% | 0.814 | S | S | * | * | trans | -61.6 | 118.3 | 168.9 | 26.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 185 | N | 42.9 | Very low | 43.7 | Very low | 153 Ų | 153 | 162.2 Ų | 162.2 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | trans | -158.7 | 110.5 | 142.2 | -99.3 | -25.9 | 0 | 0 | 0 | 112.3 | D183 | D183-N185 PolarHBondContact O-N 3.06Š| ||
| 186 | K | 44.6 | Very low | 42.8 | Very low | 185 Ų | 185 | 156.4 Ų | 156.4 | 80% | 0.804 | 81% | 0.805 | S | S | * | * | trans | 8.4 | 117 | 147.7 | -60.7 | 173.5 | 177.6 | 178.6 | 0 | 117.5 | ||||
| 187 | N | 43.4 | Very low | 41.9 | Very low | 165 Ų | 165 | 152.1 Ų | 152.1 | 88% | 0.882 | 80% | 0.8 | S | S | * | * | -179.2 | 126.1 | 111.3 | -88.3 | -15.7 | 0 | 0 | 0 | 110.8 | |||||
| 188 | E | 39.5 | Very low | 40.9 | Very low | 167 Ų | 167 | 151.8 Ų | 151.8 | 78% | 0.78 | 80% | 0.802 | S | S | * | * | trans | -65.9 | 146.5 | 174.7 | -70.6 | 175.1 | 112.9 | 0 | 0 | 112.4 | ||||
| 189 | A | 41.2 | Very low | 40.4 | Very low | 100 Ų | 100 | 149.4 Ų | 149.4 | 83% | 0.826 | 80% | 0.803 | S | S | * | * | trans | -151.7 | 112 | 138.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 190 | K | 37.7 | Very low | 39.8 | Very low | 167 Ų | 167 | 145.3 Ų | 145.3 | 73% | 0.726 | 80% | 0.799 | S | S | * | * | trans | -77.4 | 135.6 | 171 | -70.3 | 169.5 | 177 | 166.2 | 0 | 109.1 | ||||
| 191 | F | 38.3 | Very low | 39 | Very low | 211 Ų | 211 | 145.4 Ų | 145.4 | 93% | 0.925 | 80% | 0.795 | S | S | * | * | trans | -134.4 | 128.5 | 153.5 | -102.8 | -86.7 | 0 | 0 | 0 | 109.3 | ||||
| 192 | V | 37.8 | Very low | 38.8 | Very low | 112 Ų | 112 | 149.3 Ų | 149.3 | 68% | 0.679 | 80% | 0.801 | S | S | * | * | trans | -121.2 | 139.8 | -171.3 | 167.7 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 193 | H | 35.4 | Very low | 38.8 | Very low | 160 Ų | 160 | 145.2 Ų | 145.2 | 74% | 0.741 | 79% | 0.792 | S | S | * | * | trans | 60.4 | 150.7 | 161.9 | -89 | -54.4 | 0 | 0 | 0 | 117.7 | ||||
| 194 | N | 35.2 | Very low | 38.7 | Very low | 140 Ų | 140 | 143.4 Ų | 143.4 | 75% | 0.749 | 79% | 0.792 | S | S | * | * | cis | -168.3 | 159.3 | 11.7 | -128.6 | -20.3 | 0 | 0 | 0 | 108.1 | ||||
| 195 | G | 34 | Very low | 38.7 | Very low | 67 Ų | 67 | 144.2 Ų | 144.2 | 69% | 0.691 | 79% | 0.792 | S | S | * | * | trans | 111.9 | 99.5 | 147.3 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 196 | S | 33.6 | Very low | 38.8 | Very low | 120 Ų | 120 | 141.9 Ų | 141.9 | 84% | 0.839 | 79% | 0.785 | S | S | * | * | 40.7 | 114.7 | 128.8 | 143.1 | 0 | 0 | 0 | 0 | 120.1 | |||||
| 197 | S | 38 | Very low | 38.7 | Very low | 113 Ų | 113 | 143 Ų | 143 | 79% | 0.79 | 79% | 0.79 | S | S | * | * | -173.1 | 133.4 | 107.5 | 74.9 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 198 | E | 35.7 | Very low | 38.7 | Very low | 192 Ų | 192 | 140.9 Ų | 140.9 | 90% | 0.897 | 78% | 0.775 | S | S | * | * | trans | -62.9 | 127.1 | 172.7 | -65.7 | 168.1 | 129.4 | 0 | 0 | 112.1 | ||||
| 199 | M | 43.5 | Very low | 39.2 | Very low | 185 Ų | 185 | 135.6 Ų | 135.6 | 91% | 0.911 | 75% | 0.754 | S | S | * | * | trans | -172.2 | 122.6 | 146.7 | -100.3 | -85.9 | -170.2 | 0 | 0 | 107.2 | D201 | M199-D201 PolarHBondContact O-N 2.9Š| ||
| 200 | G | 33.9 | Very low | 39.7 | Very low | 74 Ų | 74 | 136.2 Ų | 136.2 | 76% | 0.763 | 75% | 0.75 | S | S | * | * | trans | -59.6 | 113.6 | -167.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | F202 | G200-F202 PolarHBondContact O-N 3.34Å; G200-F202 VanDerWaalsContact O-N 3.12Å | ||
| 201 | D | 33.7 | Very low | 40.3 | Very low | 131 Ų | 131 | 138.8 Ų | 138.8 | 70% | 0.701 | 76% | 0.755 | S | S | * | * | trans | -73.9 | 93.6 | 170.1 | -118.3 | -10.2 | 0 | 0 | 0 | 109.1 | M199 H203 | M199-D201 PolarHBondContact O-N 2.9Å; D201-H203 PolarHBondContact O-N 3.48Å; D201-H203 IonicContact OD2-CE1 2.66Å | ||
| 202 | F | 40.4 | Very low | 40.9 | Very low | 207 Ų | 207 | 131.3 Ų | 131.3 | 91% | 0.908 | 73% | 0.725 | S | S | * | * | trans | -67.7 | 89.9 | 158.5 | -87 | -85.9 | 0 | 0 | 0 | 107.4 | G200 S204 | G200-F202 PolarHBondContact O-N 3.34Å; G200-F202 VanDerWaalsContact O-N 3.12Å; F202-S204 PolarHBondContact O-N 2.93Å | ||
| 203 | H | 42.6 | Very low | 41.7 | Very low | 147 Ų | 147 | 128 Ų | 128 | 68% | 0.681 | 71% | 0.707 | S | S | * | * | trans | -56 | 109 | 166.9 | -68.6 | -44.4 | 0 | 0 | 0 | 108.6 | D201 V205 | D201-H203 PolarHBondContact O-N 3.48Å; D201-H203 IonicContact OD2-CE1 2.66Å; H203-V205 PolarHBondContact O-N 3.35Å | ||
| 204 | S | 40.7 | Very low | 42.5 | Very low | 115 Ų | 115 | 125.9 Ų | 125.9 | 80% | 0.804 | 70% | 0.7 | S | S | * | * | trans | -53.8 | 102 | 170.2 | 44.9 | 0 | 0 | 0 | 0 | 109.2 | F202 P206 | F202-S204 PolarHBondContact O-N 2.93Å; S204-P206 VanDerWaalsContact O-CD 3.25Å; S204-P206 WeakPolarHBondContact O-CD 3.4Å | ||
| 205 | V | 39.8 | Very low | 43.5 | Very low | 118 Ų | 118 | 121.5 Ų | 121.5 | 72% | 0.715 | 68% | 0.684 | S | S | * | * | trans | -72.3 | 116.6 | 171.5 | -165.8 | 0 | 0 | 0 | 0 | 106.3 | H203 F207 | H203-V205 PolarHBondContact O-N 3.35Å; V205-F207 PolarHBondContact O-N 3.25Å | ||
| 206 | P | 44.9 | Very low | 44.6 | Very low | 104 Ų | 104 | 121.6 Ų | 121.6 | 68% | 0.675 | 67% | 0.668 | S | S | * | * | trans | -65.3 | 109.1 | 173.2 | 25.6 | -30 | 0 | 0 | 0 | 107.6 | S204 Q208 | S204-P206 VanDerWaalsContact O-CD 3.25Å; S204-P206 WeakPolarHBondContact O-CD 3.4Å; P206-Q208 VanDerWaalsContact C-N 3.34Å; P206-Q208 PolarHBondContact O-N 3.31Å | ||
| 207 | F | 44 | Very low | 45.7 | Very low | 208 Ų | 208 | 118.5 Ų | 118.5 | 91% | 0.912 | 65% | 0.646 | S | S | * | * | trans | -62.9 | 97.6 | 168.4 | -115.5 | -91.7 | 0 | 0 | 0 | 107.5 | V205 | V205-F207 PolarHBondContact O-N 3.25Š| ||
| 208 | Q | 43.4 | Very low | 46.7 | Very low | 121 Ų | 121 | 118.1 Ų | 118.1 | 57% | 0.565 | 64% | 0.635 | S | S | * | * | trans | -86.3 | 107.8 | 166.1 | -80.9 | -178.7 | -37.1 | 0 | 0 | 107.3 | P206 | P206-Q208 VanDerWaalsContact C-N 3.34Å; P206-Q208 PolarHBondContact O-N 3.31Å | ||
| 209 | T | 48.7 | Very low | 47.9 | Very low | 55 Ų | 55 | 111.4 Ų | 111.4 | 34% | 0.337 | 61% | 0.607 | S | S | . | * | trans | -62.7 | 132.6 | 164.4 | 53.5 | 0 | 0 | 0 | 0 | 107.8 | R211 L212 | T209-R211 PolarHBondContact O-N 2.8Å; T209-L212 PolarHBondContact O-N 3.2Å; T209-L212 VanDerWaalsContact OG1-CD1 3.29Å; T209-L212 WeakPolarHBondContact OG1-CD1 3.3Å; T209-L212 WeakPolarHBondContact OG1-CG 3.35Å | ||
| 210 | P | 53.5 | Low | 48.6 | Very low | 114 Ų | 114 | 106.2 Ų | 106.2 | 74% | 0.74 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.8 | -21.2 | -177 | -26 | 32.9 | 0 | 0 | 0 | 114 | S213 | P210-S213 PolarHBondContact O-OG 3.16Š|
| 211 | R | 50.1 | Low | 49.7 | Very low | 220 Ų | 220 | 106.1 Ų | 106.1 | 83% | 0.83 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.9 | -20.4 | 177.5 | -71 | -170 | 168.1 | 174.4 | -3.1 | 113.9 | T209 | T209-R211 PolarHBondContact O-N 2.8Š|
| 212 | L | 50.1 | Low | 51 | Low | 55 Ų | 55 | 104.6 Ų | 104.6 | 29% | 0.288 | 56% | 0.56 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -99.9 | -8.4 | -179.2 | -70.4 | 174.2 | 0 | 0 | 0 | 113.5 | L117 T209 D214 A215 I216 | L117-L212 HydrophobicContact CD2-CD1 3.51Å; T209-L212 PolarHBondContact O-N 3.2Å; T209-L212 VanDerWaalsContact OG1-CD1 3.29Å; T209-L212 WeakPolarHBondContact OG1-CD1 3.3Å; T209-L212 WeakPolarHBondContact OG1-CG 3.35Å; L212-D214 VanDerWaalsContact C-N 3.26Å; L212-D214 PolarHBondContact O-N 2.85Å; L212-A215 PolarHBondContact O-N 3.18Å; L212-I216 HydrophobicContact CB-CD1 4.02Å; L212-I216 HydrophobicContact CB-CG1 4.49Å; L212-I216 WeakPolarHBondContact O-CB 3.47Å; L212-I216 WeakPolarHBondContact O-CD1 3.42Å; L212-I216 WeakPolarHBondContact O-CG1 3.28Å; L212-I216 PolarHBondContact O-N 3.03Å |
| 213 | S | 55.2 | Low | 51.9 | Low | 43 Ų | 43 | 98.5 Ų | 98.5 | 30% | 0.301 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -58.1 | -41.2 | 179.7 | 58.8 | 0 | 0 | 0 | 0 | 111.9 | P210 S217 | P210-S213 PolarHBondContact O-OG 3.16Å; S213-S217 WeakPolarHBondContact O-CB 3.36Å; S213-S217 PolarHBondContact O-N 3.39Å |
| 214 | D | 52.6 | Low | 52.8 | Low | 114 Ų | 114 | 97.8 Ų | 97.8 | 61% | 0.61 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -74.6 | -39.9 | -176.8 | -65.9 | -8.1 | 0 | 0 | 0 | 111.3 | L212 S217 N218 | L212-D214 VanDerWaalsContact C-N 3.26Å; L212-D214 PolarHBondContact O-N 2.85Å; D214-S217 PolarHBondContact O-N 3.26Å; D214-N218 WeakPolarHBondContact O-CB 3.43Å; D214-N218 PolarHBondContact O-N 2.75Å; D214-N218 PolarHBondContact O-ND2 3.46Å |
| 215 | A | 55 | Low | 53.7 | Low | 48 Ų | 48 | 98.2 Ų | 98.2 | 40% | 0.397 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.6 | -45.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | L212 N218 V219 | L212-A215 PolarHBondContact O-N 3.18Å; A215-N218 PolarHBondContact O-N 3Å; A215-V219 WeakPolarHBondContact O-CG2 3.37Å; A215-V219 PolarHBondContact O-N 3.49Å; A215-V219 VanDerWaalsContact O-N 3.08Å |
| 216 | I | 57.1 | Low | 54.7 | Low | 70 Ų | 70 | 99.4 Ų | 99.4 | 36% | 0.359 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -67.6 | -37.8 | 177.8 | -65.2 | 166.6 | 0 | 0 | 0 | 111 | L212 N220 | L212-I216 HydrophobicContact CB-CD1 4.02Å; L212-I216 HydrophobicContact CB-CG1 4.49Å; L212-I216 WeakPolarHBondContact O-CB 3.47Å; L212-I216 WeakPolarHBondContact O-CD1 3.42Å; L212-I216 WeakPolarHBondContact O-CG1 3.28Å; L212-I216 PolarHBondContact O-N 3.03Å; I216-N220 WeakPolarHBondContact O-CB 3.49Å; I216-N220 PolarHBondContact O-N 3.49Å; I216-N220 PolarHBondContact O-ND2 2.92Å; I216-N220 VanDerWaalsContact O-ND2 3.08Å |
| 217 | S | 57 | Low | 55.5 | Low | 55 Ų | 55 | 102 Ų | 102 | 39% | 0.385 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.2 | -46 | 175.1 | -174.6 | 0 | 0 | 0 | 0 | 111.5 | S213 D214 V219 N220 N221 | S213-S217 WeakPolarHBondContact O-CB 3.36Å; S213-S217 PolarHBondContact O-N 3.39Å; D214-S217 PolarHBondContact O-N 3.26Å; S217-V219 PolarHBondContact O-N 3.08Å; S217-N220 PolarHBondContact O-N 3.4Å; S217-N221 PolarHBondContact O-N 2.96Å; S217-N221 PolarHBondContact O-ND2 3.05Å |
| 218 | N | 59.9 | Low | 56.3 | Low | 104 Ų | 104 | 96.8 Ų | 96.8 | 56% | 0.556 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -61.9 | -45.6 | 178 | -77.1 | -19 | 0 | 0 | 0 | 112.1 | D214 A215 N220 N221 V222 | D214-N218 WeakPolarHBondContact O-CB 3.43Å; D214-N218 PolarHBondContact O-N 2.75Å; D214-N218 PolarHBondContact O-ND2 3.46Å; A215-N218 PolarHBondContact O-N 3Å; N218-N220 VanDerWaalsContact C-N 3.32Å; N218-N220 PolarHBondContact O-N 2.9Å; N218-N221 PolarHBondContact O-N 3.36Å; N218-V222 WeakPolarHBondContact O-CG2 3.44Å; N218-V222 PolarHBondContact O-N 3.35Å |
| 219 | V | 59.1 | Low | 57.1 | Low | 51 Ų | 51 | 95.5 Ų | 95.5 | 31% | 0.309 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.3 | -40.7 | 176.9 | 173.9 | 0 | 0 | 0 | 0 | 111.7 | A215 S217 N221 V222 L223 | A215-V219 WeakPolarHBondContact O-CG2 3.37Å; A215-V219 PolarHBondContact O-N 3.49Å; A215-V219 VanDerWaalsContact O-N 3.08Å; S217-V219 PolarHBondContact O-N 3.08Å; V219-N221 VanDerWaalsContact C-N 3.34Å; V219-N221 PolarHBondContact O-N 3.41Å; V219-V222 PolarHBondContact O-N 3.07Å; V219-L223 HydrophobicContact CG1-CD1 4.03Å; V219-L223 PolarHBondContact O-N 3.41Å |
| 220 | N | 58.3 | Low | 57.6 | Low | 77 Ų | 77 | 102 Ų | 102 | 41% | 0.412 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.1 | -36.2 | 176.8 | -80.2 | -41 | 0 | 0 | 0 | 112.8 | I216 S217 N218 L223 K224 | I216-N220 WeakPolarHBondContact O-CB 3.49Å; I216-N220 PolarHBondContact O-N 3.49Å; I216-N220 PolarHBondContact O-ND2 2.92Å; I216-N220 VanDerWaalsContact O-ND2 3.08Å; S217-N220 PolarHBondContact O-N 3.4Å; N218-N220 VanDerWaalsContact C-N 3.32Å; N218-N220 PolarHBondContact O-N 2.9Å; N220-L223 PolarHBondContact O-N 3.32Å; N220-K224 WeakPolarHBondContact O-CG 3.5Å; N220-K224 PolarHBondContact O-N 3.24Å |
| 221 | N | 58.3 | Low | 58 | Low | 71 Ų | 71 | 104.4 Ų | 104.4 | 38% | 0.38 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -66.7 | -43.3 | 175.5 | -70.5 | -24.1 | 0 | 0 | 0 | 111.3 | S217 N218 V219 L223 K224 H225 | S217-N221 PolarHBondContact O-N 2.96Å; S217-N221 PolarHBondContact O-ND2 3.05Å; N218-N221 PolarHBondContact O-N 3.36Å; V219-N221 VanDerWaalsContact C-N 3.34Å; V219-N221 PolarHBondContact O-N 3.41Å; N221-L223 VanDerWaalsContact C-N 3.35Å; N221-L223 PolarHBondContact O-N 3.34Å; N221-K224 PolarHBondContact O-N 3.46Å; N221-H225 PolarHBondContact O-CD2 3.18Å; N221-H225 VanDerWaalsContact O-CD2 3.26Å; N221-H225 PolarHBondContact O-N 3.25Å |
| 222 | V | 61 | Low | 58.4 | Low | 99 Ų | 99 | 102.6 Ų | 102.6 | 60% | 0.6 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -61.2 | -42.3 | 176.1 | 179.9 | 0 | 0 | 0 | 0 | 111.6 | N218 V219 H225 K226 | N218-V222 WeakPolarHBondContact O-CG2 3.44Å; N218-V222 PolarHBondContact O-N 3.35Å; V219-V222 PolarHBondContact O-N 3.07Å; V222-H225 PolarHBondContact O-N 3.43Å; V222-K226 PolarHBondContact O-N 3.45Å |
| 223 | L | 58.8 | Low | 58.8 | Low | 79 Ų | 79 | 107.9 Ų | 107.9 | 41% | 0.414 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64.7 | -39 | 176.5 | -87.2 | 155.4 | 0 | 0 | 0 | 113 | M1 V219 N220 N221 K226 K227 | M1-L223 HydrophobicContact CE-CD1 4.36Å; V219-L223 HydrophobicContact CG1-CD1 4.03Å; V219-L223 PolarHBondContact O-N 3.41Å; N220-L223 PolarHBondContact O-N 3.32Å; N221-L223 VanDerWaalsContact C-N 3.35Å; N221-L223 PolarHBondContact O-N 3.34Å; L223-K226 PolarHBondContact O-N 3Å; L223-K227 PolarHBondContact O-N 3.33Å |
| 224 | K | 60.7 | Low | 58.9 | Low | 133 Ų | 133 | 114.3 Ų | 114.3 | 58% | 0.578 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -63 | -44.7 | 174 | -76.5 | 177 | -178.4 | 177.1 | 0 | 111.3 | N220 N221 K226 K227 L228 | N220-K224 WeakPolarHBondContact O-CG 3.5Å; N220-K224 PolarHBondContact O-N 3.24Å; N221-K224 PolarHBondContact O-N 3.46Å; K224-K226 PolarHBondContact O-N 3.38Å; K224-K227 PolarHBondContact O-N 2.99Å; K224-L228 WeakPolarHBondContact O-CB 3.47Å; K224-L228 PolarHBondContact O-N 3.42Å |
| 225 | H | 59.9 | Low | 59.2 | Low | 124 Ų | 124 | 112.7 Ų | 112.7 | 57% | 0.574 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -62.5 | -39.9 | 175.6 | -83.7 | -75.8 | 0 | 0 | 0 | 112.4 | N221 V222 L228 N229 | N221-H225 PolarHBondContact O-CD2 3.18Å; N221-H225 VanDerWaalsContact O-CD2 3.26Å; N221-H225 PolarHBondContact O-N 3.25Å; V222-H225 PolarHBondContact O-N 3.43Å; H225-L228 PolarHBondContact O-N 3.26Å; H225-N229 WeakPolarHBondContact O-CB 3.5Å; H225-N229 PolarHBondContact O-N 3.3Å |
| 226 | K | 61.4 | Low | 59.4 | Low | 142 Ų | 142 | 114.4 Ų | 114.4 | 62% | 0.617 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -66.9 | -38.3 | 177.5 | -153.1 | 173.7 | -175.6 | 176.9 | 0 | 112.3 | V222 L223 K224 R230 | V222-K226 PolarHBondContact O-N 3.45Å; L223-K226 PolarHBondContact O-N 3Å; K224-K226 PolarHBondContact O-N 3.38Å; K226-R230 PolarHBondContact O-N 3.1Å; K226-R230 VanDerWaalsContact O-N 3.17Å |
| 227 | K | 61.2 | Low | 59.2 | Low | 160 Ų | 160 | 118.3 Ų | 118.3 | 70% | 0.696 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -67.9 | -39.7 | 173.4 | -85.3 | -173.1 | 176 | 179.4 | 0 | 112.6 | L223 K224 R230 K231 | L223-K227 PolarHBondContact O-N 3.33Å; K224-K227 PolarHBondContact O-N 2.99Å; K227-R230 PolarHBondContact O-N 2.94Å; K227-K231 PolarHBondContact O-N 3.24Å |
| 228 | L | 60.8 | Low | 58.5 | Low | 98 Ų | 98 | 123.2 Ų | 123.2 | 51% | 0.513 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -64 | -42.5 | 175.9 | -90.9 | 151.6 | 0 | 0 | 0 | 112.1 | K224 H225 R230 K231 R232 | K224-L228 WeakPolarHBondContact O-CB 3.47Å; K224-L228 PolarHBondContact O-N 3.42Å; H225-L228 PolarHBondContact O-N 3.26Å; L228-R230 VanDerWaalsContact C-N 3.35Å; L228-R230 PolarHBondContact O-N 3.41Å; L228-K231 PolarHBondContact O-N 3.48Å; L228-R232 PolarHBondContact O-N 3.2Å; L228-R232 VanDerWaalsContact O-N 3.1Å |
| 229 | N | 59.8 | Low | 58.4 | Low | 93 Ų | 93 | 124.2 Ų | 124.2 | 50% | 0.497 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -68.3 | -32.2 | 177.5 | -73.9 | -14.9 | 0 | 0 | 0 | 113 | H225 K233 | H225-N229 WeakPolarHBondContact O-CB 3.5Å; H225-N229 PolarHBondContact O-N 3.3Å; N229-K233 PolarHBondContact O-N 3.1Å |
| 230 | R | 60 | Low | 58.4 | Low | 191 Ų | 191 | 128.1 Ų | 128.1 | 72% | 0.721 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -67.5 | -33.9 | 172 | -86 | -175.1 | 168.3 | 176.9 | -2.8 | 113.1 | K226 K227 L228 | K226-R230 PolarHBondContact O-N 3.1Å; K226-R230 VanDerWaalsContact O-N 3.17Å; K227-R230 PolarHBondContact O-N 2.94Å; L228-R230 VanDerWaalsContact C-N 3.35Å; L228-R230 PolarHBondContact O-N 3.41Å |
| 231 | K | 61 | Low | 58.4 | Low | 166 Ų | 166 | 130.9 Ų | 130.9 | 72% | 0.722 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -70.8 | -40.5 | 175.1 | -76.5 | -170.4 | 174.5 | -172 | 0 | 112 | K227 L228 K233 K234 S235 | K227-K231 PolarHBondContact O-N 3.24Å; L228-K231 PolarHBondContact O-N 3.48Å; K231-K233 PolarHBondContact O-N 3.22Å; K231-K234 PolarHBondContact O-N 3.46Å; K231-S235 PolarHBondContact O-N 2.97Å |
| 232 | R | 58.8 | Low | 58.4 | Low | 181 Ų | 181 | 134.4 Ų | 134.4 | 68% | 0.683 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -65.1 | -35.7 | 177.6 | -76.8 | -177.3 | 165.3 | 175.2 | -5.4 | 113.8 | L228 K234 S235 S236 | L228-R232 PolarHBondContact O-N 3.2Å; L228-R232 VanDerWaalsContact O-N 3.1Å; R232-K234 VanDerWaalsContact C-N 3.29Å; R232-K234 PolarHBondContact O-N 3.17Å; R232-S235 PolarHBondContact O-N 3.43Å; R232-S235 PolarHBondContact O-OG 3.19Å; R232-S235 VanDerWaalsContact O-OG 3.1Å; R232-S236 PolarHBondContact O-N 3.43Å; R232-S236 PolarHBondContact O-OG 3.45Å |
| 233 | K | 59.2 | Low | 58.2 | Low | 166 Ų | 166 | 136.6 Ų | 136.6 | 72% | 0.722 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -70.5 | -20.6 | 174.2 | -77.7 | -170.7 | 173 | -171.9 | 0 | 114.2 | N229 K231 | N229-K233 PolarHBondContact O-N 3.1Å; K231-K233 PolarHBondContact O-N 3.22Å |
| 234 | K | 58 | Low | 58.2 | Low | 179 Ų | 179 | 140.5 Ų | 140.5 | 78% | 0.778 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -85.5 | -22.5 | 174.9 | -85.8 | -170.5 | 172.9 | -169.7 | 0 | 113.2 | K231 R232 | K231-K234 PolarHBondContact O-N 3.46Å; R232-K234 VanDerWaalsContact C-N 3.29Å; R232-K234 PolarHBondContact O-N 3.17Å |
| 235 | S | 57.9 | Low | 58 | Low | 80 Ų | 80 | 141 Ų | 141 | 56% | 0.559 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -92.1 | -3.7 | 178.1 | 61.7 | 0 | 0 | 0 | 0 | 114.1 | K231 R232 | K231-S235 PolarHBondContact O-N 2.97Å; R232-S235 PolarHBondContact O-N 3.43Å; R232-S235 PolarHBondContact O-OG 3.19Å; R232-S235 VanDerWaalsContact O-OG 3.1Å |
| 236 | S | 58.7 | Low | 57.9 | Low | 83 Ų | 83 | 142.3 Ų | 142.3 | 58% | 0.58 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -103.1 | 2.2 | 177.8 | 62.6 | 0 | 0 | 0 | 0 | 113.7 | R232 | R232-S236 PolarHBondContact O-N 3.43Å; R232-S236 PolarHBondContact O-OG 3.45Å |
| 237 | N | 52.7 | Low | 57.6 | Low | 153 Ų | 153 | 142.3 Ų | 142.3 | 82% | 0.818 | 70% | 0.7 | S | S | * | * | trans | -119.6 | 22.5 | 178.9 | -90.2 | 25.8 | 0 | 0 | 0 | 112.2 | ||||
| 238 | S | 42.7 | Very low | 57.2 | Low | 158 Ų | 158 | 140.7 Ų | 140.7 | 100% | 1.105 | 70% | 0.7 | S | S | * | * | trans | -124.6 | 0 | 167.1 | 64.8 | 0 | 0 | 0 | 0 | 108.6 |
Retrieved 238 of 238 residues in 50.2 ms
(Link to these results)