| 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 | 46.8 | Very low | 66.1 | Low | 246 Ų | 246 | 112.7 Ų | 112.7 | 100% | 1.212 | 64% | 0.638 | S | S | * | * | 0 | 150.8 | 0 | -58.4 | -176.8 | 82.5 | 0 | 0 | 108.3 | H3 | M1-H3 PolarHBondContact O-N 3.28Š| |||
| 2 | S | 57.7 | Low | 66 | Low | 114 Ų | 114 | 114.7 Ų | 114.7 | 80% | 0.797 | 64% | 0.638 | S | S | * | * | trans | -84.3 | 111.7 | -171.5 | 35.3 | 0 | 0 | 0 | 0 | 113 | V4 | S2-V4 PolarHBondContact O-N 3.47Š| ||
| 3 | H | 59.5 | Low | 65.9 | Low | 148 Ų | 148 | 120.4 Ų | 120.4 | 69% | 0.685 | 64% | 0.644 | S | S | * | * | trans | -77.9 | 102 | 168 | 177.6 | -68.2 | 0 | 0 | 0 | 109.9 | M1 Q5 | M1-H3 PolarHBondContact O-N 3.28Å; H3-Q5 PolarHBondContact CE1-NE2 3.05Å; H3-Q5 PolarHBondContact O-N 2.9Å | ||
| 4 | V | 71.6 | Confident | 65.7 | Low | 107 Ų | 107 | 118.4 Ų | 118.4 | 65% | 0.648 | 63% | 0.632 | S | S | * | * | trans | -78.8 | 103.8 | 174.2 | -178.3 | 0 | 0 | 0 | 0 | 109.4 | S2 L6 | S2-V4 PolarHBondContact O-N 3.47Å; V4-L6 HydrophobicContact CG1-CD2 4.19Å; V4-L6 PolarHBondContact O-N 3.33Å; V4-L6 VanDerWaalsContact O-N 3.12Å | ||
| 5 | Q | 70.4 | Confident | 65.5 | Low | 159 Ų | 159 | 115.8 Ų | 115.8 | 74% | 0.743 | 62% | 0.623 | S | S | * | * | trans | -62.9 | 106.9 | 167.4 | -72.7 | -77.8 | -11.2 | 0 | 0 | 109 | H3 | H3-Q5 PolarHBondContact CE1-NE2 3.05Å; H3-Q5 PolarHBondContact O-N 2.9Å | ||
| 6 | L | 69.6 | Low | 65 | Low | 107 Ų | 107 | 113.1 Ų | 113.1 | 56% | 0.56 | 62% | 0.621 | S | S | * | * | trans | -81.1 | 131.4 | 169.8 | -64.6 | 176.8 | 0 | 0 | 0 | 108.9 | V4 | V4-L6 HydrophobicContact CG1-CD2 4.19Å; V4-L6 PolarHBondContact O-N 3.33Å; V4-L6 VanDerWaalsContact O-N 3.12Å | ||
| 7 | S | 75.1 | Confident | 64.7 | Low | 62 Ų | 62 | 118.9 Ų | 118.9 | 43% | 0.434 | 63% | 0.632 | S | S | . | * | trans | -63.3 | 152.8 | 176.6 | 65.6 | 0 | 0 | 0 | 0 | 111.3 | S9 A10 L11 | S7-S9 PolarHBondContact O-N 3.38Å; S7-S9 PolarHBondContact OG-OG 2.92Å; S7-A10 WeakPolarHBondContact O-CA 3.16Å; S7-A10 WeakPolarHBondContact O-CB 3.16Å; S7-A10 PolarHBondContact O-N 3Å; S7-A10 WeakPolarHBondContact OG-CB 3.36Å; S7-A10 PolarHBondContact OG-N 2.91Å; S7-A10 VanDerWaalsContact OG-N 3.14Å; S7-L11 PolarHBondContact O-N 2.81Å | ||
| 8 | S | 65.7 | Low | 64.2 | Low | 102 Ų | 102 | 124.4 Ų | 124.4 | 71% | 0.713 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -51.3 | -42.2 | 172.6 | 49.6 | 0 | 0 | 0 | 0 | 111.8 | A10 L11 E12 | S8-A10 PolarHBondContact O-N 2.97Å; S8-L11 PolarHBondContact O-N 3.42Å; S8-E12 VanDerWaalsContact O-CB 3.25Å; S8-E12 WeakPolarHBondContact O-CB 3.36Å; S8-E12 PolarHBondContact O-N 3.44Å |
| 9 | S | 67.7 | Low | 63.6 | Low | 62 Ų | 62 | 122.6 Ų | 122.6 | 43% | 0.434 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -65.2 | -29.4 | 174.9 | 56.4 | 0 | 0 | 0 | 0 | 114.7 | S7 R13 | S7-S9 PolarHBondContact O-N 3.38Å; S7-S9 PolarHBondContact OG-OG 2.92Å; S9-R13 WeakPolarHBondContact O-CB 3.41Å; S9-R13 VanDerWaalsContact O-CD 3.27Å; S9-R13 WeakPolarHBondContact O-CD 3.37Å; S9-R13 WeakPolarHBondContact O-CG 3.39Å; S9-R13 PolarHBondContact O-N 3.44Å |
| 10 | A | 71.4 | Confident | 63.1 | Low | 33 Ų | 33 | 124.6 Ų | 124.6 | 27% | 0.273 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -77.4 | -38.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | S7 S8 L14 | S7-A10 WeakPolarHBondContact O-CA 3.16Å; S7-A10 WeakPolarHBondContact O-CB 3.16Å; S7-A10 PolarHBondContact O-N 3Å; S7-A10 WeakPolarHBondContact OG-CB 3.36Å; S7-A10 PolarHBondContact OG-N 2.91Å; S7-A10 VanDerWaalsContact OG-N 3.14Å; S8-A10 PolarHBondContact O-N 2.97Å; A10-L14 WeakPolarHBondContact O-CG 3.48Å; A10-L14 PolarHBondContact O-N 2.84Å; A10-L14 VanDerWaalsContact O-N 3.08Å |
| 11 | L | 71.8 | Confident | 62.9 | Low | 100 Ų | 100 | 124.3 Ų | 124.3 | 52% | 0.524 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -64.3 | -46.7 | 173.6 | -177.1 | 64.9 | 0 | 0 | 0 | 111.3 | S7 S8 R13 L14 V15 | S7-L11 PolarHBondContact O-N 2.81Å; S8-L11 PolarHBondContact O-N 3.42Å; L11-R13 PolarHBondContact O-N 2.94Å; L11-L14 CarbonylContact O-C 3.56Å; L11-L14 WeakPolarHBondContact O-CA 3.2Å; L11-L14 WeakPolarHBondContact O-CB 3.45Å; L11-L14 PolarHBondContact O-N 3.38Å; L11-V15 WeakPolarHBondContact O-CG2 3.37Å; L11-V15 PolarHBondContact O-N 3.2Å |
| 12 | E | 65 | Low | 63.5 | Low | 136 Ų | 136 | 120.4 Ų | 120.4 | 64% | 0.636 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -57.9 | -45.7 | 175.4 | -177.3 | -179.6 | -148.6 | 0 | 0 | 111.6 | S8 L14 V15 A16 | S8-E12 VanDerWaalsContact O-CB 3.25Å; S8-E12 WeakPolarHBondContact O-CB 3.36Å; S8-E12 PolarHBondContact O-N 3.44Å; E12-L14 PolarHBondContact O-N 3.3Å; E12-V15 PolarHBondContact O-N 3.39Å; E12-A16 VanDerWaalsContact O-CB 3.31Å; E12-A16 WeakPolarHBondContact O-CB 3.39Å; E12-A16 PolarHBondContact O-N 3.04Å |
| 13 | R | 64.5 | Low | 63.7 | Low | 189 Ų | 189 | 122.6 Ų | 122.6 | 71% | 0.713 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -67.5 | -17.5 | 174.2 | -69.5 | 169.4 | 85.7 | 89.3 | -1.7 | 113.9 | S9 L11 R17 | S9-R13 WeakPolarHBondContact O-CB 3.41Å; S9-R13 VanDerWaalsContact O-CD 3.27Å; S9-R13 WeakPolarHBondContact O-CD 3.37Å; S9-R13 WeakPolarHBondContact O-CG 3.39Å; S9-R13 PolarHBondContact O-N 3.44Å; L11-R13 PolarHBondContact O-N 2.94Å; R13-R17 WeakPolarHBondContact O-CD 3.36Å; R13-R17 WeakPolarHBondContact O-CG 3.43Å |
| 14 | L | 63.3 | Low | 63.8 | Low | 92 Ų | 92 | 127 Ų | 127 | 48% | 0.482 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -85.6 | -41.9 | 170.2 | -79 | 164.3 | 0 | 0 | 0 | 111.6 | A10 L11 E12 R17 R18 | A10-L14 WeakPolarHBondContact O-CG 3.48Å; A10-L14 PolarHBondContact O-N 2.84Å; A10-L14 VanDerWaalsContact O-N 3.08Å; L11-L14 CarbonylContact O-C 3.56Å; L11-L14 WeakPolarHBondContact O-CA 3.2Å; L11-L14 WeakPolarHBondContact O-CB 3.45Å; L11-L14 PolarHBondContact O-N 3.38Å; E12-L14 PolarHBondContact O-N 3.3Å; L14-R17 PolarHBondContact O-N 3.45Å; L14-R17 VanDerWaalsContact O-N 3.15Å; L14-R18 WeakPolarHBondContact O-CB 3.36Å; L14-R18 PolarHBondContact O-N 3.46Å |
| 15 | V | 62.3 | Low | 63.6 | Low | 80 Ų | 80 | 131 Ų | 131 | 49% | 0.485 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -62.5 | -45.1 | 175.3 | 173.1 | 0 | 0 | 0 | 0 | 110.9 | L11 E12 R17 R18 T19 | L11-V15 WeakPolarHBondContact O-CG2 3.37Å; L11-V15 PolarHBondContact O-N 3.2Å; E12-V15 PolarHBondContact O-N 3.39Å; V15-R17 PolarHBondContact O-N 3.2Å; V15-R17 VanDerWaalsContact O-N 3.08Å; V15-R18 PolarHBondContact O-N 3.12Å; V15-T19 PolarHBondContact O-N 3.02Å |
| 16 | A | 58.3 | Low | 63.9 | Low | 73 Ų | 73 | 127.7 Ų | 127.7 | 60% | 0.603 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.8 | -14.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | E12 | E12-A16 VanDerWaalsContact O-CB 3.31Å; E12-A16 WeakPolarHBondContact O-CB 3.39Å; E12-A16 PolarHBondContact O-N 3.04Å |
| 17 | R | 58.6 | Low | 64.5 | Low | 211 Ų | 211 | 125.8 Ų | 125.8 | 80% | 0.796 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.7 | 3.1 | 173.4 | -64.5 | 175.4 | 87.2 | -165 | 7.5 | 113 | R13 L14 V15 | R13-R17 WeakPolarHBondContact O-CD 3.36Å; R13-R17 WeakPolarHBondContact O-CG 3.43Å; L14-R17 PolarHBondContact O-N 3.45Å; L14-R17 VanDerWaalsContact O-N 3.15Å; V15-R17 PolarHBondContact O-N 3.2Å; V15-R17 VanDerWaalsContact O-N 3.08Å |
| 18 | R | 55.7 | Low | 65.2 | Low | 218 Ų | 218 | 128.4 Ų | 128.4 | 82% | 0.823 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.6 | -14.3 | -171.4 | -164.4 | 170.6 | -173 | 147.7 | 1.8 | 114.2 | L14 V15 F20 | L14-R18 WeakPolarHBondContact O-CB 3.36Å; L14-R18 PolarHBondContact O-N 3.46Å; V15-R18 PolarHBondContact O-N 3.12Å; R18-F20 PolarHBondContact O-N 2.77Å |
| 19 | T | 52.6 | Low | 66.3 | Low | 90 Ų | 90 | 126.6 Ų | 126.6 | 55% | 0.552 | 64% | 0.639 | S | S | * | * | S | Bend | trans | -65.2 | -32.7 | -178 | 43.4 | 0 | 0 | 0 | 0 | 114 | V15 | V15-T19 PolarHBondContact O-N 3.02Š|
| 20 | F | 53.9 | Low | 67.5 | Low | 163 Ų | 163 | 131.5 Ų | 131.5 | 72% | 0.715 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -141.7 | 139.4 | 171.8 | -64.1 | -78.2 | 0 | 0 | 0 | 111.1 | R18 L22 | R18-F20 PolarHBondContact O-N 2.77Å; F20-L22 PolarHBondContact O-N 3.45Å; F20-L22 VanDerWaalsContact O-N 3.1Å |
| 21 | P | 59.4 | Low | 68.5 | Low | 118 Ų | 118 | 133.8 Ų | 133.8 | 77% | 0.766 | 66% | 0.662 | S | S | * | * | trans | -58.6 | 116.1 | 157.7 | -17 | 30.6 | 0 | 0 | 0 | 108 | Q23 | P21-Q23 PolarHBondContact O-N 2.91Š| ||
| 22 | L | 59.8 | Low | 69.6 | Low | 164 Ų | 164 | 134.5 Ų | 134.5 | 86% | 0.859 | 67% | 0.665 | S | S | * | * | trans | -71 | 68.9 | 162.2 | -69.6 | 176.7 | 0 | 0 | 0 | 108.4 | F20 R24 | F20-L22 PolarHBondContact O-N 3.45Å; F20-L22 VanDerWaalsContact O-N 3.1Å; L22-R24 PolarHBondContact O-N 3.23Å | ||
| 23 | Q | 62.3 | Low | 71 | Confident | 161 Ų | 161 | 137.6 Ų | 137.6 | 75% | 0.752 | 68% | 0.677 | S | S | * | * | trans | -43.2 | 113.6 | 164.8 | -175.5 | 75.1 | -44.6 | 0 | 0 | 105.9 | P21 R25 | P21-Q23 PolarHBondContact O-N 2.91Å; Q23-R25 WeakPolarHBondContact O-CG 3.43Å; Q23-R25 PolarHBondContact O-N 2.77Å | ||
| 24 | R | 60.9 | Low | 72.5 | Confident | 239 Ų | 239 | 130.3 Ų | 130.3 | 90% | 0.902 | 66% | 0.661 | S | S | * | * | trans | -66.3 | 88.4 | -167.9 | -80.2 | -155.5 | -78.9 | -169.3 | -5.4 | 109.3 | L22 T26 | L22-R24 PolarHBondContact O-N 3.23Å; R24-T26 PolarHBondContact O-N 2.95Å; R24-T26 VanDerWaalsContact O-N 3.11Å | ||
| 25 | R | 66.6 | Low | 74 | Confident | 192 Ų | 192 | 132.3 Ų | 132.3 | 73% | 0.725 | 68% | 0.679 | S | S | * | * | trans | -54.2 | 119.3 | -178.6 | -62.9 | -165.9 | 100.3 | 178.8 | 3.8 | 106.3 | Q23 C29 | Q23-R25 WeakPolarHBondContact O-CG 3.43Å; Q23-R25 PolarHBondContact O-N 2.77Å; R25-C29 HydrophobicContact CB-CB 3.97Å; R25-C29 WeakPolarHBondContact CD-O 3.43Å; R25-C29 HydrophobicContact CG-CB 4.48Å; R25-C29 PolarHBondContact NE-O 2.81Å | ||
| 26 | T | 77.4 | Confident | 75.7 | Confident | 90 Ų | 90 | 132.5 Ų | 132.5 | 55% | 0.552 | 68% | 0.681 | S | S | * | * | trans | -56.7 | 154.1 | 172.1 | 65.1 | 0 | 0 | 0 | 0 | 107.9 | R24 V28 C29 | R24-T26 PolarHBondContact O-N 2.95Å; R24-T26 VanDerWaalsContact O-N 3.11Å; T26-V28 PolarHBondContact O-N 2.86Å; T26-C29 PolarHBondContact O-N 3.38Å | ||
| 27 | G | 82.6 | Confident | 77.5 | Confident | 66 Ų | 66 | 133 Ų | 133 | 68% | 0.68 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.8 | -13.1 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115 | R30 | G27-R30 PolarHBondContact O-NH1 2.9Š|
| 28 | V | 90.5 | Very high | 79.4 | Confident | 118 Ų | 118 | 129.6 Ų | 129.6 | 72% | 0.715 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.8 | -37.8 | 173.2 | -172.5 | 0 | 0 | 0 | 0 | 112.5 | T26 R30 | T26-V28 PolarHBondContact O-N 2.86Å; V28-R30 VanDerWaalsContact C-N 3.3Å; V28-R30 PolarHBondContact O-N 3.37Å |
| 29 | C | 88.6 | Confident | 81.4 | Confident | 64 Ų | 64 | 124.6 Ų | 124.6 | 43% | 0.432 | 66% | 0.655 | S | S | . | * | trans | -82.6 | 64.5 | -171.3 | -66.5 | 0 | 0 | 0 | 0 | 113.2 | R25 T26 | R25-C29 HydrophobicContact CB-CB 3.97Å; R25-C29 WeakPolarHBondContact CD-O 3.43Å; R25-C29 HydrophobicContact CG-CB 4.48Å; R25-C29 PolarHBondContact NE-O 2.81Å; T26-C29 PolarHBondContact O-N 3.38Å | ||
| 30 | R | 91.6 | Very high | 83.6 | Confident | 165 Ų | 165 | 125 Ų | 125 | 62% | 0.623 | 65% | 0.651 | S | S | * | * | trans | -122 | 149.8 | -180 | 62.5 | -173.9 | -173.1 | -100.9 | 0 | 111.2 | G27 V28 L32 | G27-R30 PolarHBondContact O-NH1 2.9Å; V28-R30 VanDerWaalsContact C-N 3.3Å; V28-R30 PolarHBondContact O-N 3.37Å; R30-L32 HydrophobicContact CG-CD2 4.03Å | ||
| 31 | S | 92.2 | Very high | 85.7 | Confident | 81 Ų | 81 | 121.5 Ų | 121.5 | 57% | 0.566 | 64% | 0.639 | S | S | * | * | trans | -70.4 | 144.5 | 161.3 | -180 | 0 | 0 | 0 | 0 | 108.9 | F33 G34 | S31-F33 PolarHBondContact OG-N 3.45Å; S31-G34 PolarHBondContact OG-N 3.49Å; S31-G34 VanDerWaalsContact OG-N 3.11Å; S31-G34 PolarHBondContact OG-O 2.72Å | ||
| 32 | L | 95.1 | Very high | 87.5 | Confident | 114 Ų | 114 | 117.9 Ų | 117.9 | 60% | 0.597 | 62% | 0.617 | S | S | * | * | S | Bend | trans | -100.5 | -25.7 | 178.5 | -60.3 | 178.6 | 0 | 0 | 0 | 112.7 | R30 | R30-L32 HydrophobicContact CG-CD2 4.03Š|
| 33 | F | 95.7 | Very high | 89.4 | Confident | 202 Ų | 202 | 116.3 Ų | 116.3 | 89% | 0.886 | 60% | 0.599 | S | S | * | * | S | Bend | trans | -131.3 | -0 | -169 | -56.1 | -63.5 | 0 | 0 | 0 | 114.5 | S31 | S31-F33 PolarHBondContact OG-N 3.45Š|
| 34 | G | 94.9 | Very high | 91.1 | Very high | 35 Ų | 35 | 113.3 Ų | 113.3 | 36% | 0.361 | 59% | 0.588 | S | S | . | * | trans | 113.4 | -159.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114 | S31 | S31-G34 PolarHBondContact OG-N 3.49Å; S31-G34 VanDerWaalsContact OG-N 3.11Å; S31-G34 PolarHBondContact OG-O 2.72Å | ||
| 35 | P | 95.6 | Very high | 92.9 | Very high | 134 Ų | 134 | 105.5 Ų | 105.5 | 87% | 0.87 | 57% | 0.567 | S | S | * | * | trans | -67.9 | 167.4 | 163.7 | -14.9 | 31.4 | 0 | 0 | 0 | 111.8 | ||||
| 36 | V | 96.8 | Very high | 94.4 | Very high | 85 Ų | 85 | 102.9 Ų | 102.9 | 52% | 0.515 | 56% | 0.561 | S | S | . | * | trans | -135.8 | 135.4 | 177.9 | 176.6 | 0 | 0 | 0 | 0 | 108.3 | H38 L41 | V36-H38 PolarHBondContact O-N 3.15Å; V36-L41 HydrophobicContact CG1-CB 4.33Å; V36-L41 HydrophobicContact CG1-CD2 3.9Å | ||
| 37 | D | 97.4 | Very high | 95.4 | Very high | 82 Ų | 82 | 100.7 Ų | 100.7 | 44% | 0.439 | 55% | 0.552 | S | S | . | * | trans | -75.1 | 111.1 | 164.4 | -176 | -31.6 | 0 | 0 | 0 | 108.1 | D39 E40 L41 | D37-D39 WeakPolarHBondContact OD1-CA 3.3Å; D37-D39 PolarHBondContact OD1-N 3.02Å; D37-E40 HydrophobicContact CB-CB 3.88Å; D37-E40 PolarHBondContact OD1-N 3.19Å; D37-L41 VanDerWaalsContact O-CB 3.29Å; D37-L41 WeakPolarHBondContact O-CB 3.25Å; D37-L41 PolarHBondContact O-N 3.15Å; D37-L41 VanDerWaalsContact O-N 3.08Å | ||
| 38 | H | 97.8 | Very high | 96.1 | Very high | 141 Ų | 141 | 103.5 Ų | 103.5 | 65% | 0.653 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -76.7 | -26.4 | -178.3 | -75.6 | -72 | 0 | 0 | 0 | 112.9 | V36 S42 | V36-H38 PolarHBondContact O-N 3.15Å; H38-S42 VanDerWaalsContact O-CB 3.25Å; H38-S42 WeakPolarHBondContact O-CB 3.46Å; H38-S42 PolarHBondContact O-N 3.46Å |
| 39 | D | 98.1 | Very high | 96.5 | Very high | 112 Ų | 112 | 103.1 Ų | 103.1 | 60% | 0.599 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -75 | -42.7 | 177.6 | -69.4 | -34.5 | 0 | 0 | 0 | 110 | D37 S42 R43 | D37-D39 WeakPolarHBondContact OD1-CA 3.3Å; D37-D39 PolarHBondContact OD1-N 3.02Å; D39-S42 PolarHBondContact O-N 3.35Å; D39-S42 PolarHBondContact O-OG 2.91Å; D39-R43 WeakPolarHBondContact O-CG 3.44Å; D39-R43 PolarHBondContact O-N 3.24Å; D39-R43 PolarHBondContact O-NE 3.38Å; D39-R43 VanDerWaalsContact O-NE 3.14Å |
| 40 | E | 98.1 | Very high | 96.9 | Very high | 100 Ų | 100 | 106.9 Ų | 106.9 | 47% | 0.467 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -62.1 | -52.1 | 173.6 | -173.5 | 173.5 | -128.9 | 0 | 0 | 111 | D37 S42 R43 D44 | D37-E40 HydrophobicContact CB-CB 3.88Å; D37-E40 PolarHBondContact OD1-N 3.19Å; E40-S42 PolarHBondContact O-N 2.86Å; E40-R43 WeakPolarHBondContact O-CB 3.26Å; E40-R43 PolarHBondContact O-N 2.83Å; E40-D44 PolarHBondContact O-N 2.83Å |
| 41 | L | 97.8 | Very high | 97.2 | Very high | 88 Ų | 88 | 102.4 Ų | 102.4 | 46% | 0.461 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -58.1 | -37.2 | 175.9 | -179 | 61.3 | 0 | 0 | 0 | 112.2 | V36 D37 V45 | V36-L41 HydrophobicContact CG1-CB 4.33Å; V36-L41 HydrophobicContact CG1-CD2 3.9Å; D37-L41 VanDerWaalsContact O-CB 3.29Å; D37-L41 WeakPolarHBondContact O-CB 3.25Å; D37-L41 PolarHBondContact O-N 3.15Å; D37-L41 VanDerWaalsContact O-N 3.08Å; L41-V45 HydrophobicContact CD1-CG2 4.02Å; L41-V45 HydrophobicContact CG-CG2 4.46Å; L41-V45 WeakPolarHBondContact O-CB 3.16Å; L41-V45 VanDerWaalsContact O-CG2 3.25Å; L41-V45 WeakPolarHBondContact O-CG2 3.36Å; L41-V45 PolarHBondContact O-N 2.81Å |
| 42 | S | 98.3 | Very high | 97.4 | Very high | 42 Ų | 42 | 102.5 Ų | 102.5 | 29% | 0.294 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -68.8 | -35.7 | 176.5 | 86.9 | 0 | 0 | 0 | 0 | 112.8 | H38 D39 E40 K46 | H38-S42 VanDerWaalsContact O-CB 3.25Å; H38-S42 WeakPolarHBondContact O-CB 3.46Å; H38-S42 PolarHBondContact O-N 3.46Å; D39-S42 PolarHBondContact O-N 3.35Å; D39-S42 PolarHBondContact O-OG 2.91Å; E40-S42 PolarHBondContact O-N 2.86Å; S42-K46 WeakPolarHBondContact O-CB 3.24Å; S42-K46 VanDerWaalsContact O-CD 3.3Å; S42-K46 WeakPolarHBondContact O-CD 3.42Å; S42-K46 WeakPolarHBondContact O-CG 3.48Å; S42-K46 PolarHBondContact O-N 3.29Å; S42-K46 VanDerWaalsContact O-N 3.13Å |
| 43 | R | 98.6 | Very high | 97.5 | Very high | 132 Ų | 132 | 98.5 Ų | 98.5 | 50% | 0.498 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -67.4 | -47.4 | 176.4 | -77.8 | 175.4 | -89.9 | 120.4 | -9.3 | 110.5 | D39 E40 K46 A47 | D39-R43 WeakPolarHBondContact O-CG 3.44Å; D39-R43 PolarHBondContact O-N 3.24Å; D39-R43 PolarHBondContact O-NE 3.38Å; D39-R43 VanDerWaalsContact O-NE 3.14Å; E40-R43 WeakPolarHBondContact O-CB 3.26Å; E40-R43 PolarHBondContact O-N 2.83Å; R43-K46 PolarHBondContact O-N 2.81Å; R43-A47 WeakPolarHBondContact O-CB 3.4Å; R43-A47 PolarHBondContact O-N 3.13Å |
| 44 | D | 98.4 | Very high | 97.5 | Very high | 97 Ų | 97 | 92.4 Ų | 92.4 | 52% | 0.519 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -64.1 | -45 | 179.7 | -80.9 | 11.4 | 0 | 0 | 0 | 112.5 | E40 A47 K48 | E40-D44 PolarHBondContact O-N 2.83Å; D44-A47 PolarHBondContact O-N 3.36Å; D44-K48 WeakPolarHBondContact O-CB 3.33Å; D44-K48 WeakPolarHBondContact O-CG 3.1Å; D44-K48 PolarHBondContact O-N 3.49Å |
| 45 | V | 98.3 | Very high | 97.6 | Very high | 76 Ų | 76 | 96.4 Ų | 96.4 | 46% | 0.461 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62.9 | -43.9 | 176.8 | 169.7 | 0 | 0 | 0 | 0 | 111 | L41 K48 L49 | L41-V45 HydrophobicContact CD1-CG2 4.02Å; L41-V45 HydrophobicContact CG-CG2 4.46Å; L41-V45 WeakPolarHBondContact O-CB 3.16Å; L41-V45 VanDerWaalsContact O-CG2 3.25Å; L41-V45 WeakPolarHBondContact O-CG2 3.36Å; L41-V45 PolarHBondContact O-N 2.81Å; V45-K48 PolarHBondContact O-N 3.28Å; V45-L49 HydrophobicContact CG1-CD1 3.95Å; V45-L49 HydrophobicContact CG1-CG 4.45Å; V45-L49 WeakPolarHBondContact O-CB 3.31Å; V45-L49 VanDerWaalsContact O-CG 3.31Å; V45-L49 WeakPolarHBondContact O-CG 3.49Å; V45-L49 PolarHBondContact O-N 3.39Å |
| 46 | K | 98.3 | Very high | 97.7 | Very high | 137 Ų | 137 | 92.7 Ų | 92.7 | 60% | 0.596 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -62.8 | -44.4 | 175.5 | -73.7 | 167.3 | -173.7 | 168.6 | 0 | 111.9 | S42 R43 K48 L49 R50 | S42-K46 WeakPolarHBondContact O-CB 3.24Å; S42-K46 VanDerWaalsContact O-CD 3.3Å; S42-K46 WeakPolarHBondContact O-CD 3.42Å; S42-K46 WeakPolarHBondContact O-CG 3.48Å; S42-K46 PolarHBondContact O-N 3.29Å; S42-K46 VanDerWaalsContact O-N 3.13Å; R43-K46 PolarHBondContact O-N 2.81Å; K46-K48 VanDerWaalsContact C-N 3.34Å; K46-K48 PolarHBondContact O-N 3.22Å; K46-L49 PolarHBondContact O-N 2.89Å; K46-R50 WeakPolarHBondContact O-CB 3.45Å; K46-R50 PolarHBondContact O-N 3.43Å |
| 47 | A | 98.3 | Very high | 97.6 | Very high | 44 Ų | 44 | 91.5 Ų | 91.5 | 36% | 0.364 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -60.7 | -42.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | R43 D44 R50 E51 | R43-A47 WeakPolarHBondContact O-CB 3.4Å; R43-A47 PolarHBondContact O-N 3.13Å; D44-A47 PolarHBondContact O-N 3.36Å; A47-R50 PolarHBondContact O-N 2.92Å; A47-E51 WeakPolarHBondContact O-CB 3.39Å; A47-E51 PolarHBondContact O-N 3.39Å |
| 48 | K | 98.3 | Very high | 97.6 | Very high | 124 Ų | 124 | 94.9 Ų | 94.9 | 54% | 0.539 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -71.3 | -35.5 | 178.3 | -71.6 | -71.3 | 162.9 | -163.6 | 0 | 113.7 | D44 V45 K46 E51 I52 | D44-K48 WeakPolarHBondContact O-CB 3.33Å; D44-K48 WeakPolarHBondContact O-CG 3.1Å; D44-K48 PolarHBondContact O-N 3.49Å; V45-K48 PolarHBondContact O-N 3.28Å; K46-K48 VanDerWaalsContact C-N 3.34Å; K46-K48 PolarHBondContact O-N 3.22Å; K48-E51 IonicContact NZ-OE2 3.75Å; K48-E51 PolarHBondContact NZ-OE2 2.97Å; K48-I52 WeakPolarHBondContact O-CD1 3.41Å; K48-I52 VanDerWaalsContact O-CG1 3.28Å; K48-I52 WeakPolarHBondContact O-CG1 3.44Å; K48-I52 PolarHBondContact O-N 3.46Å |
| 49 | L | 97.3 | Very high | 97.5 | Very high | 110 Ų | 110 | 94.9 Ų | 94.9 | 58% | 0.576 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -65.4 | -43 | 172.6 | -72 | 171.6 | 0 | 0 | 0 | 111.4 | V45 K46 I52 S53 | V45-L49 HydrophobicContact CG1-CD1 3.95Å; V45-L49 HydrophobicContact CG1-CG 4.45Å; V45-L49 WeakPolarHBondContact O-CB 3.31Å; V45-L49 VanDerWaalsContact O-CG 3.31Å; V45-L49 WeakPolarHBondContact O-CG 3.49Å; V45-L49 PolarHBondContact O-N 3.39Å; K46-L49 PolarHBondContact O-N 2.89Å; L49-I52 WeakPolarHBondContact O-CB 3.44Å; L49-I52 PolarHBondContact O-N 3.31Å; L49-I52 VanDerWaalsContact O-N 3.14Å; L49-S53 PolarHBondContact O-N 3.47Å |
| 50 | R | 97.4 | Very high | 97.5 | Very high | 144 Ų | 144 | 93.7 Ų | 93.7 | 54% | 0.543 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -66.9 | -40.3 | 177 | -156.9 | -172.3 | 71.7 | -132.4 | -7.3 | 112.5 | K46 A47 I52 S53 E54 | K46-R50 WeakPolarHBondContact O-CB 3.45Å; K46-R50 PolarHBondContact O-N 3.43Å; A47-R50 PolarHBondContact O-N 2.92Å; R50-I52 PolarHBondContact O-N 3.2Å; R50-S53 PolarHBondContact O-N 3.21Å; R50-S53 PolarHBondContact O-OG 3.47Å; R50-E54 WeakPolarHBondContact CD-OE1 3.42Å; R50-E54 HydrophobicContact CG-CG 4.26Å; R50-E54 WeakPolarHBondContact CG-OE1 3.46Å; R50-E54 IonicContact CZ-OE1 3.59Å; R50-E54 IonicContact NE-OE1 2.64Å; R50-E54 PolarHBondContact NE-OE1 3.23Å; R50-E54 IonicContact NH2-OE1 3.62Å; R50-E54 WeakPolarHBondContact O-CB 3.23Å; R50-E54 VanDerWaalsContact O-CG 3.26Å; R50-E54 WeakPolarHBondContact O-CG 3.34Å; R50-E54 PolarHBondContact O-N 2.86Å |
| 51 | E | 97.9 | Very high | 97.4 | Very high | 70 Ų | 70 | 89.6 Ų | 89.6 | 33% | 0.327 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -60.2 | -26.4 | 172.8 | -165.7 | -153.9 | 118.6 | 0 | 0 | 112.2 | A47 K48 R55 | A47-E51 WeakPolarHBondContact O-CB 3.39Å; A47-E51 PolarHBondContact O-N 3.39Å; K48-E51 IonicContact NZ-OE2 3.75Å; K48-E51 PolarHBondContact NZ-OE2 2.97Å; E51-R55 WeakPolarHBondContact O-CB 3.25Å; E51-R55 PolarHBondContact O-NH1 2.84Å; E51-R55 IonicContact OE1-CZ 3.88Å; E51-R55 IonicContact OE1-NH1 2.7Å; E51-R55 IonicContact OE1-NH2 2.74Å; E51-R55 PolarHBondContact OE1-NH2 3.04Å |
| 52 | I | 97.4 | Very high | 97.4 | Very high | 84 Ų | 84 | 87 Ų | 87 | 43% | 0.431 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -79.7 | -50.2 | 172.7 | -67.3 | 163.7 | 0 | 0 | 0 | 110.5 | K48 L49 R50 E54 R55 D56 | K48-I52 WeakPolarHBondContact O-CD1 3.41Å; K48-I52 VanDerWaalsContact O-CG1 3.28Å; K48-I52 WeakPolarHBondContact O-CG1 3.44Å; K48-I52 PolarHBondContact O-N 3.46Å; L49-I52 WeakPolarHBondContact O-CB 3.44Å; L49-I52 PolarHBondContact O-N 3.31Å; L49-I52 VanDerWaalsContact O-N 3.14Å; R50-I52 PolarHBondContact O-N 3.2Å; I52-E54 PolarHBondContact O-N 3.44Å; I52-R55 PolarHBondContact O-N 3.12Å; I52-D56 PolarHBondContact O-N 3.27Å |
| 53 | S | 96.4 | Very high | 97.3 | Very high | 29 Ų | 29 | 86 Ų | 86 | 20% | 0.203 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -63.2 | -41.7 | -178.7 | 63.3 | 0 | 0 | 0 | 0 | 112.8 | L49 R50 R55 D56 Q57 E65 | L49-S53 PolarHBondContact O-N 3.47Å; R50-S53 PolarHBondContact O-N 3.21Å; R50-S53 PolarHBondContact O-OG 3.47Å; S53-R55 PolarHBondContact O-N 3.25Å; S53-D56 PolarHBondContact O-N 3.08Å; S53-Q57 WeakPolarHBondContact O-CB 3.34Å; S53-Q57 PolarHBondContact O-N 2.89Å; S53-E65 PolarHBondContact OG-OE1 3.01Å |
| 54 | E | 96.6 | Very high | 97.1 | Very high | 75 Ų | 75 | 84.2 Ų | 84.2 | 35% | 0.35 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -56.8 | -45.9 | 173.4 | -73.1 | 168.3 | -168.2 | 0 | 0 | 111.8 | R50 I52 Q58 | R50-E54 WeakPolarHBondContact CD-OE1 3.42Å; R50-E54 HydrophobicContact CG-CG 4.26Å; R50-E54 WeakPolarHBondContact CG-OE1 3.46Å; R50-E54 IonicContact CZ-OE1 3.59Å; R50-E54 IonicContact NE-OE1 2.64Å; R50-E54 PolarHBondContact NE-OE1 3.23Å; R50-E54 IonicContact NH2-OE1 3.62Å; R50-E54 WeakPolarHBondContact O-CB 3.23Å; R50-E54 VanDerWaalsContact O-CG 3.26Å; R50-E54 WeakPolarHBondContact O-CG 3.34Å; R50-E54 PolarHBondContact O-N 2.86Å; I52-E54 PolarHBondContact O-N 3.44Å; E54-Q58 WeakPolarHBondContact O-CB 3.33Å; E54-Q58 VanDerWaalsContact O-CG 3.24Å; E54-Q58 WeakPolarHBondContact O-CG 3.46Å; E54-Q58 PolarHBondContact O-N 2.89Å |
| 55 | R | 97.3 | Very high | 96.8 | Very high | 118 Ų | 118 | 86.2 Ų | 86.2 | 45% | 0.445 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -67.6 | -46.1 | -179.1 | -178.2 | -170.3 | -63.7 | 94.6 | 2.1 | 111.9 | E51 I52 S53 Q58 R59 | E51-R55 WeakPolarHBondContact O-CB 3.25Å; E51-R55 PolarHBondContact O-NH1 2.84Å; E51-R55 IonicContact OE1-CZ 3.88Å; E51-R55 IonicContact OE1-NH1 2.7Å; E51-R55 IonicContact OE1-NH2 2.74Å; E51-R55 PolarHBondContact OE1-NH2 3.04Å; I52-R55 PolarHBondContact O-N 3.12Å; S53-R55 PolarHBondContact O-N 3.25Å; R55-Q58 PolarHBondContact O-N 2.84Å; R55-R59 VanDerWaalsContact O-CB 3.23Å; R55-R59 WeakPolarHBondContact O-CB 3.46Å; R55-R59 PolarHBondContact O-N 3.44Å |
| 56 | D | 96.8 | Very high | 96.5 | Very high | 57 Ų | 57 | 88.3 Ų | 88.3 | 31% | 0.305 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -71.3 | -36.1 | -179 | -75.1 | -30.7 | 0 | 0 | 0 | 111 | I52 S53 R59 W60 F64 | I52-D56 PolarHBondContact O-N 3.27Å; S53-D56 PolarHBondContact O-N 3.08Å; D56-R59 PolarHBondContact O-N 2.95Å; D56-W60 WeakPolarHBondContact O-CB 3.37Å; D56-W60 PolarHBondContact O-N 3.43Å; D56-F64 HydrophobicContact CB-CE2 4.02Å |
| 57 | Q | 95.8 | Very high | 96.3 | Very high | 59 Ų | 59 | 87.5 Ų | 87.5 | 28% | 0.276 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -59.3 | -46.8 | 171.8 | 177.4 | -179.2 | 67.9 | 0 | 0 | 111.7 | S53 N61 F62 L70 | S53-Q57 WeakPolarHBondContact O-CB 3.34Å; S53-Q57 PolarHBondContact O-N 2.89Å; Q57-N61 WeakPolarHBondContact O-CA 3.48Å; Q57-N61 PolarHBondContact O-N 2.94Å; Q57-F62 WeakPolarHBondContact CA-O 3.31Å; Q57-F62 WeakPolarHBondContact CG-O 3.42Å; Q57-F62 PolarHBondContact O-N 3.14Å; Q57-L70 HydrophobicContact CG-CD1 3.63Å |
| 58 | Q | 95.8 | Very high | 96.1 | Very high | 154 Ų | 154 | 88.4 Ų | 88.4 | 72% | 0.72 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -63.8 | -39.9 | 174.8 | -72.3 | 168.5 | 21.2 | 0 | 0 | 112.3 | E54 R55 | E54-Q58 WeakPolarHBondContact O-CB 3.33Å; E54-Q58 VanDerWaalsContact O-CG 3.24Å; E54-Q58 WeakPolarHBondContact O-CG 3.46Å; E54-Q58 PolarHBondContact O-N 2.89Å; R55-Q58 PolarHBondContact O-N 2.84Å |
| 59 | R | 97.3 | Very high | 96 | Very high | 140 Ų | 140 | 86 Ų | 86 | 53% | 0.528 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -73.6 | -24.4 | -176.4 | -173.3 | 179 | 171.4 | -69.5 | -12.5 | 113.8 | R55 D56 | R55-R59 VanDerWaalsContact O-CB 3.23Å; R55-R59 WeakPolarHBondContact O-CB 3.46Å; R55-R59 PolarHBondContact O-N 3.44Å; D56-R59 PolarHBondContact O-N 2.95Å |
| 60 | W | 97.5 | Very high | 95.9 | Very high | 88 Ų | 88 | 84.1 Ų | 84.1 | 33% | 0.333 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -117.2 | -4 | -175.8 | -67.4 | 119.3 | 0 | 0 | 0 | 114.1 | D56 F62 F64 Y74 W76 | D56-W60 WeakPolarHBondContact O-CB 3.37Å; D56-W60 PolarHBondContact O-N 3.43Å; W60-F62 HydrophobicContact CB-CB 4.32Å; W60-F62 PolarHBondContact O-N 3.25Å; W60-F64 HydrophobicContact CB-CE2 4.43Å; W60-F64 HydrophobicContact CB-CZ 4.22Å; W60-F64 AromaticContact CD1-CZ 3.79Å; W60-F64 HydrophobicContact CG-CZ 4.23Å; W60-Y74 HydrophobicContact CE3-CD2 4.27Å; W60-Y74 AromaticContact CE3-CE2 3.83Å; W60-Y74 HydrophobicContact CE3-CE2 3.83Å; W60-Y74 HydrophobicContact CZ3-CE2 4.33Å; W60-W76 HydrophobicContact CB-CZ2 4.19Å; W60-W76 PolarHBondContact O-NE1 3.23Å |
| 61 | N | 96.6 | Very high | 95.7 | Very high | 14 Ų | 14 | 86.9 Ų | 86.9 | 8% | 0.075 | 42% | 0.418 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 41.6 | 47.7 | -166.4 | 63.6 | -91.4 | 0 | 0 | 0 | 112.9 | Q57 L70 D73 Y74 | Q57-N61 WeakPolarHBondContact O-CA 3.48Å; Q57-N61 PolarHBondContact O-N 2.94Å; N61-L70 HydrophobicContact CB-CB 4.35Å; N61-L70 PolarHBondContact ND2-O 2.97Å; N61-L70 WeakPolarHBondContact O-CA 3.47Å; N61-L70 WeakPolarHBondContact O-CB 3.43Å; N61-L70 PolarHBondContact O-N 2.85Å; N61-D73 PolarHBondContact OD1-N 2.98Å; N61-D73 VanDerWaalsContact OD1-N 3.13Å; N61-Y74 PolarHBondContact ND2-O 3.22Å; N61-Y74 WeakPolarHBondContact OD1-CB 3.28Å; N61-Y74 WeakPolarHBondContact OD1-CD2 3.43Å; N61-Y74 PolarHBondContact OD1-N 2.96Å |
| 62 | F | 97.1 | Very high | 95.5 | Very high | 32 Ų | 32 | 86.2 Ų | 86.2 | 14% | 0.14 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 130.2 | -179.6 | -168.7 | -87.6 | 0 | 0 | 0 | 110.9 | Q57 W60 F64 P69 W76 | Q57-F62 WeakPolarHBondContact CA-O 3.31Å; Q57-F62 WeakPolarHBondContact CG-O 3.42Å; Q57-F62 PolarHBondContact O-N 3.14Å; W60-F62 HydrophobicContact CB-CB 4.32Å; W60-F62 PolarHBondContact O-N 3.25Å; F62-F64 HydrophobicContact CB-CE2 4.38Å; F62-F64 HydrophobicContact CB-CZ 4.24Å; F62-F64 AromaticContact CD1-CD1 3.74Å; F62-F64 HydrophobicContact CD1-CD1 3.74Å; F62-F64 HydrophobicContact CD1-CD2 4.42Å; F62-F64 AromaticContact CD1-CE1 3.76Å; F62-F64 HydrophobicContact CD1-CE1 3.76Å; F62-F64 HydrophobicContact CD1-CE2 4.43Å; F62-F64 HydrophobicContact CD1-CG 4.08Å; F62-F64 HydrophobicContact CD1-CZ 4.12Å; F62-F64 HydrophobicContact CE1-CD1 4.16Å; F62-F64 HydrophobicContact CE1-CE1 4.44Å; F62-F64 WeakPolarHBondContact O-CD2 3.25Å; F62-F64 WeakPolarHBondContact O-CE2 3.39Å; F62-F64 PolarHBondContact O-N 2.94Å; F62-P69 HydrophobicContact CD2-CB 4.05Å; F62-P69 HydrophobicContact CE2-CB 4.26Å; F62-W76 HydrophobicContact CB-CZ2 4.11Å; F62-W76 AromaticContact CD2-CD2 3.85Å; F62-W76 HydrophobicContact CD2-CD2 3.85Å; F62-W76 AromaticContact CD2-CE2 3.97Å; F62-W76 HydrophobicContact CD2-CE3 4.26Å; F62-W76 HydrophobicContact CD2-CG 4.05Å |
| 63 | N | 95.1 | Very high | 95.4 | Very high | 21 Ų | 21 | 90.1 Ų | 90.1 | 11% | 0.112 | 45% | 0.451 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 100.8 | 176.5 | -177.6 | -9.4 | 0 | 0 | 0 | 110 | E65 D66 N67 T68 L70 | N63-E65 PolarHBondContact O-N 3.15Å; N63-E65 PolarHBondContact OD1-N 3.34Å; N63-D66 PolarHBondContact ND2-OD2 2.66Å; N63-D66 PolarHBondContact OD1-N 3.25Å; N63-D66 VanDerWaalsContact OD1-N 3.15Å; N63-N67 WeakPolarHBondContact O-CA 3.41Å; N63-N67 PolarHBondContact O-N 3.14Å; N63-T68 WeakPolarHBondContact CB-O 3.29Å; N63-T68 PolarHBondContact N-O 2.81Å; N63-T68 PolarHBondContact O-N 3.43Å; N63-L70 HydrophobicContact CB-CD1 4.4Å; N63-L70 HydrophobicContact CB-CD2 4.25Å; N63-L70 HydrophobicContact CB-CG 4.29Å |
| 64 | F | 94.4 | Very high | 95.3 | Very high | 95 Ų | 95 | 93.8 Ų | 93.8 | 42% | 0.417 | 46% | 0.461 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -14.4 | 179.6 | -62.1 | -79.5 | 0 | 0 | 0 | 114.4 | D56 W60 F62 N67 | D56-F64 HydrophobicContact CB-CE2 4.02Å; W60-F64 HydrophobicContact CB-CE2 4.43Å; W60-F64 HydrophobicContact CB-CZ 4.22Å; W60-F64 AromaticContact CD1-CZ 3.79Å; W60-F64 HydrophobicContact CG-CZ 4.23Å; F62-F64 HydrophobicContact CB-CE2 4.38Å; F62-F64 HydrophobicContact CB-CZ 4.24Å; F62-F64 AromaticContact CD1-CD1 3.74Å; F62-F64 HydrophobicContact CD1-CD1 3.74Å; F62-F64 HydrophobicContact CD1-CD2 4.42Å; F62-F64 AromaticContact CD1-CE1 3.76Å; F62-F64 HydrophobicContact CD1-CE1 3.76Å; F62-F64 HydrophobicContact CD1-CE2 4.43Å; F62-F64 HydrophobicContact CD1-CG 4.08Å; F62-F64 HydrophobicContact CD1-CZ 4.12Å; F62-F64 HydrophobicContact CE1-CD1 4.16Å; F62-F64 HydrophobicContact CE1-CE1 4.44Å; F62-F64 WeakPolarHBondContact O-CD2 3.25Å; F62-F64 WeakPolarHBondContact O-CE2 3.39Å; F62-F64 PolarHBondContact O-N 2.94Å; F64-N67 PolarHBondContact O-ND2 3.29Å |
| 65 | E | 92.7 | Very high | 95.3 | Very high | 140 Ų | 140 | 99.9 Ų | 99.9 | 65% | 0.654 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.7 | -54.3 | 178.5 | -60.9 | -174.3 | -165.6 | 0 | 0 | 109.8 | S53 N63 N67 | S53-E65 PolarHBondContact OG-OE1 3.01Å; N63-E65 PolarHBondContact O-N 3.15Å; N63-E65 PolarHBondContact OD1-N 3.34Å; E65-N67 VanDerWaalsContact C-N 3.3Å; E65-N67 PolarHBondContact O-N 3.1Å; E65-N67 PolarHBondContact O-ND2 2.76Å; E65-N67 VanDerWaalsContact O-ND2 3.15Å |
| 66 | D | 93 | Very high | 95.3 | Very high | 120 Ų | 120 | 99.8 Ų | 99.8 | 64% | 0.642 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.6 | -8.9 | 176.3 | -63.8 | -60.1 | 0 | 0 | 0 | 113.9 | N63 T68 | N63-D66 PolarHBondContact ND2-OD2 2.66Å; N63-D66 PolarHBondContact OD1-N 3.25Å; N63-D66 VanDerWaalsContact OD1-N 3.15Å; D66-T68 VanDerWaalsContact C-N 3.29Å; D66-T68 HydrophobicContact CB-CG2 4.37Å; D66-T68 PolarHBondContact O-N 3.11Å |
| 67 | N | 93 | Very high | 95.1 | Very high | 119 Ų | 119 | 104.4 Ų | 104.4 | 64% | 0.636 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.1 | 36.2 | -175.4 | -69.2 | -106 | 0 | 0 | 0 | 113.3 | N63 F64 E65 | N63-N67 WeakPolarHBondContact O-CA 3.41Å; N63-N67 PolarHBondContact O-N 3.14Å; F64-N67 PolarHBondContact O-ND2 3.29Å; E65-N67 VanDerWaalsContact C-N 3.3Å; E65-N67 PolarHBondContact O-N 3.1Å; E65-N67 PolarHBondContact O-ND2 2.76Å; E65-N67 VanDerWaalsContact O-ND2 3.15Å |
| 68 | T | 94.8 | Very high | 94.9 | Very high | 63 Ų | 63 | 110.6 Ų | 110.6 | 39% | 0.387 | 54% | 0.539 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 142.1 | -178.7 | 49.1 | 0 | 0 | 0 | 0 | 112 | N63 D66 | N63-T68 WeakPolarHBondContact CB-O 3.29Å; N63-T68 PolarHBondContact N-O 2.81Å; N63-T68 PolarHBondContact O-N 3.43Å; D66-T68 VanDerWaalsContact C-N 3.29Å; D66-T68 HydrophobicContact CB-CG2 4.37Å; D66-T68 PolarHBondContact O-N 3.11Å |
| 69 | P | 96.3 | Very high | 94.7 | Very high | 73 Ų | 73 | 107.3 Ų | 107.3 | 47% | 0.474 | 52% | 0.524 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 150.5 | 171.2 | 33.1 | -35.3 | 0 | 0 | 0 | 111.2 | F62 W76 | F62-P69 HydrophobicContact CD2-CB 4.05Å; F62-P69 HydrophobicContact CE2-CB 4.26Å; P69-W76 HydrophobicContact CB-CB 3.6Å; P69-W76 HydrophobicContact CB-CG 3.91Å; P69-W76 HydrophobicContact CG-CB 4.33Å |
| 70 | L | 94.5 | Very high | 94.4 | Very high | 72 Ų | 72 | 103.5 Ų | 103.5 | 38% | 0.377 | 52% | 0.518 | S | S | . | . | trans | -112.6 | 159.8 | 173 | -53.8 | 175.5 | 0 | 0 | 0 | 109.3 | Q57 N61 N63 | Q57-L70 HydrophobicContact CG-CD1 3.63Å; N61-L70 HydrophobicContact CB-CB 4.35Å; N61-L70 PolarHBondContact ND2-O 2.97Å; N61-L70 WeakPolarHBondContact O-CA 3.47Å; N61-L70 WeakPolarHBondContact O-CB 3.43Å; N61-L70 PolarHBondContact O-N 2.85Å; N63-L70 HydrophobicContact CB-CD1 4.4Å; N63-L70 HydrophobicContact CB-CD2 4.25Å; N63-L70 HydrophobicContact CB-CG 4.29Å | ||
| 71 | E | 93.6 | Very high | 94 | Very high | 202 Ų | 202 | 103.5 Ų | 103.5 | 94% | 0.944 | 53% | 0.527 | S | S | * | . | S | Bend | trans | -66.4 | 136.3 | 171.7 | -62.8 | 178.5 | -176.7 | 0 | 0 | 110.5 | ||
| 72 | G | 93.4 | Very high | 93.6 | Very high | 56 Ų | 56 | 109.8 Ų | 109.8 | 58% | 0.577 | 56% | 0.556 | S | S | * | * | S | Bend | trans | 167.3 | -157.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y74 | G72-Y74 VanDerWaalsContact C-N 3.3Å; G72-Y74 PolarHBondContact O-N 3.03Å |
| 73 | D | 95.1 | Very high | 93.3 | Very high | 165 Ų | 165 | 117 Ų | 117 | 88% | 0.882 | 58% | 0.582 | S | S | * | * | S | Bend | trans | -71.1 | -19.3 | -173.8 | -67.3 | -29.4 | 0 | 0 | 0 | 114.3 | N61 | N61-D73 PolarHBondContact OD1-N 2.98Å; N61-D73 VanDerWaalsContact OD1-N 3.13Å |
| 74 | Y | 95.6 | Very high | 93.1 | Very high | 106 Ų | 106 | 117.5 Ų | 117.5 | 42% | 0.416 | 59% | 0.586 | S | S | . | * | trans | -109.9 | 119.7 | 179.9 | -64.9 | -74 | 0 | 0 | 0 | 112.2 | W60 N61 G72 W76 | W60-Y74 HydrophobicContact CE3-CD2 4.27Å; W60-Y74 AromaticContact CE3-CE2 3.83Å; W60-Y74 HydrophobicContact CE3-CE2 3.83Å; W60-Y74 HydrophobicContact CZ3-CE2 4.33Å; N61-Y74 PolarHBondContact ND2-O 3.22Å; N61-Y74 WeakPolarHBondContact OD1-CB 3.28Å; N61-Y74 WeakPolarHBondContact OD1-CD2 3.43Å; N61-Y74 PolarHBondContact OD1-N 2.96Å; G72-Y74 VanDerWaalsContact C-N 3.3Å; G72-Y74 PolarHBondContact O-N 3.03Å; Y74-W76 VanDerWaalsContact O-CD1 3.28Å | ||
| 75 | E | 96.1 | Very high | 92.8 | Very high | 203 Ų | 203 | 115.8 Ų | 115.8 | 95% | 0.949 | 59% | 0.589 | S | S | * | * | trans | -78.5 | 122.2 | 165.6 | -66.7 | 179.2 | 175.2 | 0 | 0 | 109.6 | ||||
| 76 | W | 96.1 | Very high | 92.5 | Very high | 117 Ų | 117 | 111.9 Ų | 111.9 | 44% | 0.443 | 58% | 0.581 | S | S | . | * | trans | -108.6 | 124 | -177.8 | -69.7 | 96.1 | 0 | 0 | 0 | 111.1 | W60 F62 P69 Y74 | W60-W76 HydrophobicContact CB-CZ2 4.19Å; W60-W76 PolarHBondContact O-NE1 3.23Å; F62-W76 HydrophobicContact CB-CZ2 4.11Å; F62-W76 AromaticContact CD2-CD2 3.85Å; F62-W76 HydrophobicContact CD2-CD2 3.85Å; F62-W76 AromaticContact CD2-CE2 3.97Å; F62-W76 HydrophobicContact CD2-CE3 4.26Å; F62-W76 HydrophobicContact CD2-CG 4.05Å; P69-W76 HydrophobicContact CB-CB 3.6Å; P69-W76 HydrophobicContact CB-CG 3.91Å; P69-W76 HydrophobicContact CG-CB 4.33Å; Y74-W76 VanDerWaalsContact O-CD1 3.28Å | ||
| 77 | E | 94 | Very high | 92.3 | Very high | 154 Ų | 154 | 114 Ų | 114 | 72% | 0.72 | 59% | 0.585 | S | S | * | * | trans | -113.5 | 133.2 | 175.9 | -174.3 | -177.5 | -177.3 | 0 | 0 | 110.7 | M79 | E77-M79 PolarHBondContact O-N 2.91Š| ||
| 78 | E | 91.8 | Very high | 92.1 | Very high | 189 Ų | 189 | 116.8 Ų | 116.8 | 88% | 0.883 | 59% | 0.588 | S | S | * | * | trans | -76.8 | 118.1 | 171.5 | -169.7 | -171.5 | 163.5 | 0 | 0 | 110.3 | ||||
| 79 | M | 91.1 | Very high | 91.8 | Very high | 84 Ų | 84 | 118.2 Ų | 118.2 | 41% | 0.414 | 59% | 0.586 | S | S | . | * | trans | -107.9 | 117.1 | -174.4 | -84.5 | -71 | -83.8 | 0 | 0 | 112.8 | E77 R83 T84 | E77-M79 PolarHBondContact O-N 2.91Å; M79-R83 HydrophobicContact CE-CB 3.85Å; M79-T84 PolarHBondContact O-OG1 2.84Å; M79-T84 VanDerWaalsContact O-OG1 3.04Å | ||
| 80 | P | 90.9 | Very high | 90.9 | Very high | 61 Ų | 61 | 120.3 Ų | 120.3 | 40% | 0.396 | 59% | 0.59 | S | S | . | * | trans | -50.3 | 141.1 | 179.3 | -30.5 | 35.3 | 0 | 0 | 0 | 113.6 | E82 R83 T84 | P80-E82 PolarHBondContact O-N 2.7Å; P80-R83 PolarHBondContact O-N 3.35Å; P80-T84 PolarHBondContact O-N 3.37Å; P80-T84 PolarHBondContact O-OG1 2.87Å | ||
| 81 | V | 87.8 | Confident | 90 | Very high | 87 Ų | 87 | 118.3 Ų | 118.3 | 53% | 0.527 | 58% | 0.582 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -53.4 | -35.9 | -173.1 | -178 | 0 | 0 | 0 | 0 | 111.6 | R83 T84 R89 | V81-R83 VanDerWaalsContact C-N 3.34Å; V81-R83 PolarHBondContact O-N 3.13Å; V81-T84 PolarHBondContact O-N 3.46Å; V81-R89 HydrophobicContact CG1-CG 4.05Å; V81-R89 PolarHBondContact O-NE 2.9Å; V81-R89 PolarHBondContact O-NH2 3.34Å |
| 82 | E | 89.8 | Confident | 88.7 | Confident | 146 Ų | 146 | 112.2 Ų | 112.2 | 68% | 0.682 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.6 | -38.1 | 179.4 | -63.7 | 62.6 | -133 | 0 | 0 | 112.4 | P80 R89 | P80-E82 PolarHBondContact O-N 2.7Å; E82-R89 PolarHBondContact O-NH2 2.94Å |
| 83 | R | 90.1 | Very high | 87.2 | Confident | 183 Ų | 183 | 116.9 Ų | 116.9 | 69% | 0.691 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.5 | -37 | 178.5 | -62.5 | -177.1 | 178.2 | 178.5 | -0.2 | 111.6 | M79 P80 V81 A85 | M79-R83 HydrophobicContact CE-CB 3.85Å; P80-R83 PolarHBondContact O-N 3.35Å; V81-R83 VanDerWaalsContact C-N 3.34Å; V81-R83 PolarHBondContact O-N 3.13Å; R83-A85 PolarHBondContact O-N 3.08Å |
| 84 | T | 90.3 | Very high | 85.1 | Confident | 33 Ų | 33 | 113.1 Ų | 113.1 | 20% | 0.202 | 55% | 0.552 | C | S | . | * | S | Bend | trans | -60.8 | 131.2 | 179.3 | -70.1 | 0 | 0 | 0 | 0 | 111.2 | M79 P80 V81 R89 | M79-T84 PolarHBondContact O-OG1 2.84Å; M79-T84 VanDerWaalsContact O-OG1 3.04Å; P80-T84 PolarHBondContact O-N 3.37Å; P80-T84 PolarHBondContact O-OG1 2.87Å; V81-T84 PolarHBondContact O-N 3.46Å; T84-R89 HydrophobicContact CG2-CG 4.34Å; T84-R89 VanDerWaalsContact O-CZ 3.25Å; T84-R89 PolarHBondContact O-NE 3.45Å; T84-R89 PolarHBondContact O-NH2 3.19Å |
| 85 | A | 89.8 | Confident | 83.8 | Confident | 58 Ų | 58 | 110.9 Ų | 110.9 | 48% | 0.479 | 56% | 0.561 | S | S | . | * | trans | -61.9 | 142.6 | -177 | 0 | 0 | 0 | 0 | 0 | 111.8 | R83 F87 Y88 R89 | R83-A85 PolarHBondContact O-N 3.08Å; A85-F87 PolarHBondContact O-N 2.91Å; A85-Y88 HydrophobicContact CB-CD2 4.28Å; A85-Y88 PolarHBondContact O-N 3.14Å; A85-R89 PolarHBondContact O-N 3Å | ||
| 86 | A | 86.6 | Confident | 81.9 | Confident | 59 Ų | 59 | 113.7 Ų | 113.7 | 49% | 0.488 | 56% | 0.563 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -62.5 | -4.7 | -173.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | R98 | A86-R98 VanDerWaalsContact O-CZ 3.28Å; A86-R98 PolarHBondContact O-NH1 3.28Å; A86-R98 PolarHBondContact O-NH2 2.85Å |
| 87 | F | 87.4 | Confident | 79.9 | Confident | 164 Ų | 164 | 112.6 Ų | 112.6 | 72% | 0.719 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75 | -46.5 | 167.9 | 178 | -100.7 | 0 | 0 | 0 | 112.1 | A85 | A85-F87 PolarHBondContact O-N 2.91Š|
| 88 | Y | 89.1 | Confident | 78.1 | Confident | 178 Ų | 178 | 111.3 Ų | 111.3 | 70% | 0.698 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.7 | -13.9 | -176.8 | -60.4 | -70.1 | 0 | 0 | 0 | 113.9 | A85 E90 | A85-Y88 HydrophobicContact CB-CD2 4.28Å; A85-Y88 PolarHBondContact O-N 3.14Å; Y88-E90 PolarHBondContact O-N 2.85Å |
| 89 | R | 88.1 | Confident | 76.7 | Confident | 93 Ų | 93 | 105.3 Ų | 105.3 | 35% | 0.351 | 53% | 0.534 | S | S | . | . | S | Bend | trans | -64.2 | 122.7 | 171 | -59.2 | -177.1 | -162.6 | -163.6 | -1.5 | 109.3 | V81 E82 T84 A85 S91 R98 | V81-R89 HydrophobicContact CG1-CG 4.05Å; V81-R89 PolarHBondContact O-NE 2.9Å; V81-R89 PolarHBondContact O-NH2 3.34Å; E82-R89 PolarHBondContact O-NH2 2.94Å; T84-R89 HydrophobicContact CG2-CG 4.34Å; T84-R89 VanDerWaalsContact O-CZ 3.25Å; T84-R89 PolarHBondContact O-NE 3.45Å; T84-R89 PolarHBondContact O-NH2 3.19Å; A85-R89 PolarHBondContact O-N 3Å; R89-S91 PolarHBondContact O-N 3.36Å; R89-R98 PolarHBondContact O-NH2 2.81Å |
| 90 | E | 77.1 | Confident | 75.2 | Confident | 116 Ų | 116 | 105.5 Ų | 105.5 | 54% | 0.542 | 54% | 0.541 | S | S | . | . | trans | -55.8 | 135.9 | 179.5 | -161.7 | -158.1 | 165.1 | 0 | 0 | 110.5 | Y88 A101 | Y88-E90 PolarHBondContact O-N 2.85Å; E90-A101 HydrophobicContact CB-CB 3.96Å; E90-A101 HydrophobicContact CG-CB 3.7Å; E90-A101 PolarHBondContact O-N 3.22Å; E90-A101 WeakPolarHBondContact OE2-CB 3.27Å | ||
| 91 | S | 75.7 | Confident | 73.7 | Confident | 31 Ų | 31 | 103.8 Ų | 103.8 | 22% | 0.217 | 53% | 0.532 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 113.2 | -177.5 | 64.5 | 0 | 0 | 0 | 0 | 111.9 | R89 Q93 R98 V99 | R89-S91 PolarHBondContact O-N 3.36Å; S91-Q93 PolarHBondContact O-N 2.91Å; S91-R98 VanDerWaalsContact OG-CZ 3.32Å; S91-R98 PolarHBondContact OG-NE 3.08Å; S91-R98 PolarHBondContact OG-NH2 3.02Å; S91-V99 CarbonylContact C-O 3.46Å; S91-V99 WeakPolarHBondContact CA-O 3.21Å; S91-V99 WeakPolarHBondContact CB-O 3.21Å |
| 92 | V | 66.4 | Low | 71.9 | Confident | 74 Ų | 74 | 104.8 Ų | 104.8 | 45% | 0.448 | 54% | 0.539 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 123.9 | 171.6 | -76.5 | 0 | 0 | 0 | 0 | 109.9 | S94 V99 | V92-S94 PolarHBondContact O-N 3.39Å; V92-V99 PolarHBondContact N-O 2.94Å; V92-V99 VanDerWaalsContact N-O 3.12Å; V92-V99 PolarHBondContact O-N 2.76Å |
| 93 | Q | 61.9 | Low | 69.9 | Low | 154 Ų | 154 | 103 Ų | 103 | 72% | 0.72 | 54% | 0.54 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 83.2 | 174.1 | -70.2 | -176.3 | 55.8 | 0 | 0 | 109.6 | S91 G95 | S91-Q93 PolarHBondContact O-N 2.91Å; Q93-G95 PolarHBondContact O-N 3.19Å |
| 94 | S | 52.3 | Low | 67.8 | Low | 86 Ų | 86 | 99.6 Ų | 99.6 | 60% | 0.601 | 54% | 0.539 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75 | 75.8 | 172.3 | -63.8 | 0 | 0 | 0 | 0 | 109.8 | V92 T97 | V92-S94 PolarHBondContact O-N 3.39Å; S94-T97 PolarHBondContact N-O 2.92Å |
| 95 | G | 66.9 | Low | 65.6 | Low | 59 Ų | 59 | 107.8 Ų | 107.8 | 61% | 0.608 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 76.4 | -132.4 | -173.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q93 T97 | Q93-G95 PolarHBondContact O-N 3.19Å; G95-T97 VanDerWaalsContact C-N 3.26Å; G95-T97 PolarHBondContact O-N 2.76Å |
| 96 | R | 55.8 | Low | 63.2 | Low | 262 Ų | 262 | 112.8 Ų | 112.8 | 99% | 0.989 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.2 | -1.8 | -178.6 | -83.7 | 178.3 | 64.1 | -177.7 | -0.6 | 114.7 | ||
| 97 | T | 54.4 | Low | 60.6 | Low | 93 Ų | 93 | 116.4 Ų | 116.4 | 57% | 0.571 | 60% | 0.602 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -110.6 | 122.7 | -176.9 | -55.5 | 0 | 0 | 0 | 0 | 110.3 | S94 G95 V99 | S94-T97 PolarHBondContact N-O 2.92Å; G95-T97 VanDerWaalsContact C-N 3.26Å; G95-T97 PolarHBondContact O-N 2.76Å; T97-V99 HydrophobicContact CG2-CG2 4.08Å; T97-V99 PolarHBondContact O-N 3.3Å |
| 98 | R | 56.6 | Low | 58.3 | Low | 127 Ų | 127 | 114.7 Ų | 114.7 | 48% | 0.479 | 61% | 0.607 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -83.1 | 103 | 172.5 | -173.2 | 178.6 | -171.5 | -142.7 | -10.4 | 108.8 | A86 R89 S91 | A86-R98 VanDerWaalsContact O-CZ 3.28Å; A86-R98 PolarHBondContact O-NH1 3.28Å; A86-R98 PolarHBondContact O-NH2 2.85Å; R89-R98 PolarHBondContact O-NH2 2.81Å; S91-R98 VanDerWaalsContact OG-CZ 3.32Å; S91-R98 PolarHBondContact OG-NE 3.08Å; S91-R98 PolarHBondContact OG-NH2 3.02Å |
| 99 | V | 63.3 | Low | 55.4 | Low | 63 Ų | 63 | 111.8 Ų | 111.8 | 38% | 0.382 | 61% | 0.612 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -94.7 | 132.6 | 175.5 | -175.2 | 0 | 0 | 0 | 0 | 107.9 | S91 V92 T97 A101 | S91-V99 CarbonylContact C-O 3.46Å; S91-V99 WeakPolarHBondContact CA-O 3.21Å; S91-V99 WeakPolarHBondContact CB-O 3.21Å; V92-V99 PolarHBondContact N-O 2.94Å; V92-V99 VanDerWaalsContact N-O 3.12Å; V92-V99 PolarHBondContact O-N 2.76Å; T97-V99 HydrophobicContact CG2-CG2 4.08Å; T97-V99 PolarHBondContact O-N 3.3Å; V99-A101 PolarHBondContact O-N 2.89Å |
| 100 | P | 59.4 | Low | 53.1 | Low | 89 Ų | 89 | 112.7 Ų | 112.7 | 58% | 0.578 | 63% | 0.633 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -63 | 129.8 | 170.9 | 27.6 | -33.4 | 0 | 0 | 0 | 109 | ||
| 101 | A | 57.8 | Low | 50.8 | Low | 24 Ų | 24 | 116.5 Ų | 116.5 | 20% | 0.198 | 65% | 0.651 | C | S | . | * | P | Polyproline II helix | trans | -77.1 | 131.9 | 170.6 | 0 | 0 | 0 | 0 | 0 | 108.3 | E90 V99 P103 | E90-A101 HydrophobicContact CB-CB 3.96Å; E90-A101 HydrophobicContact CG-CB 3.7Å; E90-A101 PolarHBondContact O-N 3.22Å; E90-A101 WeakPolarHBondContact OE2-CB 3.27Å; V99-A101 PolarHBondContact O-N 2.89Å; A101-P103 WeakPolarHBondContact O-CD 3.38Å |
| 102 | T | 50.4 | Low | 49 | Very low | 109 Ų | 109 | 119.6 Ų | 119.6 | 67% | 0.669 | 67% | 0.672 | S | S | * | * | trans | -118.9 | 88.6 | -177.2 | 53.1 | 0 | 0 | 0 | 0 | 109.8 | V104 | T102-V104 PolarHBondContact O-N 2.64Š| ||
| 103 | P | 47.4 | Very low | 47.4 | Very low | 109 Ų | 109 | 122.7 Ų | 122.7 | 71% | 0.708 | 69% | 0.691 | S | S | * | * | trans | -75.1 | 76.4 | 175.3 | 31.3 | -34.8 | 0 | 0 | 0 | 110.8 | A101 K105 | A101-P103 WeakPolarHBondContact O-CD 3.38Å; P103-K105 PolarHBondContact O-N 2.74Å | ||
| 104 | V | 47.9 | Very low | 46.1 | Very low | 110 Ų | 110 | 122.6 Ų | 122.6 | 67% | 0.667 | 69% | 0.692 | S | S | * | * | trans | -85.6 | 96.3 | 170.6 | 179.8 | 0 | 0 | 0 | 0 | 108.8 | T102 Q106 | T102-V104 PolarHBondContact O-N 2.64Å; V104-Q106 HydrophobicContact CG1-CG 3.94Å | ||
| 105 | K | 43.6 | Very low | 45.4 | Very low | 206 Ų | 206 | 124.5 Ų | 124.5 | 90% | 0.896 | 71% | 0.706 | S | S | * | * | trans | -108.7 | 92.5 | 165.7 | -162.2 | 178.8 | -176.2 | -174.3 | 0 | 109.8 | P103 | P103-K105 PolarHBondContact O-N 2.74Š| ||
| 106 | Q | 39.2 | Very low | 44 | Very low | 162 Ų | 162 | 130.6 Ų | 130.6 | 76% | 0.757 | 72% | 0.719 | S | S | * | * | trans | -64.5 | 151.2 | 174.8 | -71.2 | 160.5 | -18.1 | 0 | 0 | 111.2 | V104 P108 | V104-Q106 HydrophobicContact CG1-CG 3.94Å; Q106-P108 WeakPolarHBondContact O-CD 3.11Å | ||
| 107 | T | 32.7 | Very low | 43.1 | Very low | 136 Ų | 136 | 123.6 Ų | 123.6 | 83% | 0.834 | 71% | 0.709 | S | S | * | * | trans | -74.4 | 118.2 | 165 | 36 | 0 | 0 | 0 | 0 | 110 | S109 | T107-S109 PolarHBondContact O-N 2.71Š| ||
| 108 | P | 38 | Very low | 42.3 | Very low | 127 Ų | 127 | 124.1 Ų | 124.1 | 83% | 0.825 | 72% | 0.717 | S | S | * | * | trans | -77.6 | 108.1 | 168.7 | 30.6 | -30.4 | 0 | 0 | 0 | 108.9 | Q106 | Q106-P108 WeakPolarHBondContact O-CD 3.11Š| ||
| 109 | S | 27.4 | Very low | 41.3 | Very low | 117 Ų | 117 | 125.7 Ų | 125.7 | 82% | 0.818 | 74% | 0.735 | S | S | * | * | trans | -65.4 | 140.2 | 164.6 | -174.1 | 0 | 0 | 0 | 0 | 109.4 | T107 E111 | T107-S109 PolarHBondContact O-N 2.71Å; S109-E111 PolarHBondContact O-N 3.11Å | ||
| 110 | S | 39.9 | Very low | 39.9 | Very low | 112 Ų | 112 | 126.3 Ų | 126.3 | 78% | 0.783 | 76% | 0.755 | S | S | * | * | trans | -61.7 | 131.1 | 173.4 | -52.4 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 111 | E | 30.7 | Very low | 38.7 | Very low | 197 Ų | 197 | 129.5 Ų | 129.5 | 92% | 0.921 | 77% | 0.767 | S | S | * | * | trans | -158.9 | 163.9 | 132.9 | -120.3 | 173.7 | -177.4 | 0 | 0 | 113.4 | S109 | S109-E111 PolarHBondContact O-N 3.11Š| ||
| 112 | S | 36.6 | Very low | 37.7 | Very low | 96 Ų | 96 | 133.5 Ų | 133.5 | 67% | 0.671 | 79% | 0.788 | S | S | * | * | trans | -78.3 | 151.8 | -164.5 | -172.9 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 113 | V | 33.3 | Very low | 37.3 | Very low | 138 Ų | 138 | 137.4 Ų | 137.4 | 84% | 0.836 | 80% | 0.801 | S | S | * | * | -170 | 147 | 113.1 | 145.9 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 114 | M | 35.5 | Very low | 36.8 | Very low | 152 Ų | 152 | 137.8 Ų | 137.8 | 75% | 0.749 | 79% | 0.794 | S | S | * | * | trans | -76.3 | 158.9 | -178.3 | -65.6 | -69.7 | 167.6 | 0 | 0 | 113.7 | ||||
| 115 | S | 36.2 | Very low | 36.2 | Very low | 126 Ų | 126 | 141.7 Ų | 141.7 | 88% | 0.881 | 80% | 0.796 | S | S | * | * | trans | -151.8 | 129.7 | 154.8 | -73.1 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 116 | E | 38.1 | Very low | 35.7 | Very low | 188 Ų | 188 | 140.6 Ų | 140.6 | 88% | 0.879 | 80% | 0.8 | S | S | * | * | trans | -108.5 | 138.9 | -169.2 | -63.7 | 169.9 | 90.9 | 0 | 0 | 112.4 | ||||
| 117 | S | 37.8 | Very low | 35.3 | Very low | 114 Ų | 114 | 137.2 Ų | 137.2 | 80% | 0.797 | 80% | 0.799 | S | S | * | * | trans | -162.8 | 90.1 | 160.5 | 58.7 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 118 | S | 36.6 | Very low | 35.6 | Very low | 105 Ų | 105 | 137 Ų | 137 | 73% | 0.734 | 80% | 0.797 | S | S | * | * | 68 | 110 | 82.8 | -146.2 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 119 | D | 34.8 | Very low | 35.9 | Very low | 159 Ų | 159 | 136.4 Ų | 136.4 | 85% | 0.85 | 79% | 0.793 | S | S | * | * | trans | 59.2 | 138.9 | 162 | -49.6 | -80.2 | 0 | 0 | 0 | 117.9 | ||||
| 120 | G | 35.4 | Very low | 36.1 | Very low | 77 Ų | 77 | 139.7 Ų | 139.7 | 79% | 0.794 | 80% | 0.796 | S | S | * | * | cis | -169.5 | -166.5 | -3.1 | 0 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 121 | D | 34.4 | Very low | 35.8 | Very low | 156 Ų | 156 | 139 Ų | 139 | 83% | 0.834 | 79% | 0.791 | S | S | * | * | cis | -153.5 | 168.8 | -7.2 | 179.1 | 34.2 | 0 | 0 | 0 | 107.8 | ||||
| 122 | V | 35.3 | Very low | 35.9 | Very low | 108 Ų | 108 | 137.3 Ų | 137.3 | 66% | 0.655 | 79% | 0.788 | S | S | * | * | trans | -42.3 | 131.5 | -175.2 | 174.1 | 0 | 0 | 0 | 0 | 116.6 | E124 | V122-E124 HydrophobicContact CG1-CB 4.28Š| ||
| 123 | M | 43.1 | Very low | 35.9 | Very low | 190 Ų | 190 | 143 Ų | 143 | 94% | 0.936 | 80% | 0.795 | S | S | * | * | trans | -139.1 | 91.5 | 130.6 | -167.9 | 160.4 | -72.1 | 0 | 0 | 110.8 | ||||
| 124 | E | 35.7 | Very low | 35.9 | Very low | 118 Ų | 118 | 141.4 Ų | 141.4 | 55% | 0.551 | 79% | 0.79 | S | S | * | * | trans | -84.6 | 157.8 | 178.5 | -105.1 | -147.5 | 121.6 | 0 | 0 | 113.3 | V122 | V122-E124 HydrophobicContact CG1-CB 4.28Š| ||
| 125 | R | 35.9 | Very low | 35.8 | Very low | 191 Ų | 191 | 138.8 Ų | 138.8 | 72% | 0.721 | 79% | 0.787 | S | S | * | * | trans | 50.2 | 103.4 | 145.4 | -68.4 | 173.2 | 160 | 131.4 | -2.2 | 118.7 | ||||
| 126 | L | 32.8 | Very low | 35.6 | Very low | 184 Ų | 184 | 138.5 Ų | 138.5 | 96% | 0.963 | 78% | 0.78 | S | S | * | * | -129.1 | 96.7 | 123.6 | -76.8 | -178.4 | 0 | 0 | 0 | 109.6 | |||||
| 127 | A | 32.5 | Very low | 35.3 | Very low | 91 Ų | 91 | 136.2 Ų | 136.2 | 75% | 0.752 | 78% | 0.778 | S | S | * | * | trans | -128 | 120 | 168.2 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 128 | V | 37 | Very low | 34.9 | Very low | 130 Ų | 130 | 134.1 Ų | 134.1 | 79% | 0.788 | 77% | 0.774 | S | S | * | * | trans | -105.2 | 121.5 | 176.4 | 178.4 | 0 | 0 | 0 | 0 | 108 | ||||
| 129 | P | 45.2 | Very low | 34.6 | Very low | 115 Ų | 115 | 132.6 Ų | 132.6 | 75% | 0.747 | 78% | 0.775 | S | S | * | * | trans | -91.9 | 117.5 | 174.4 | 33.3 | -28.7 | 0 | 0 | 0 | 110.4 | ||||
| 130 | E | 32.1 | Very low | 34.4 | Very low | 186 Ų | 186 | 133.3 Ų | 133.3 | 87% | 0.869 | 78% | 0.779 | S | S | * | * | trans | -111.1 | 119.4 | 157.6 | -67.3 | -162.7 | 131.2 | 0 | 0 | 108.5 | ||||
| 131 | S | 33.4 | Very low | 34.4 | Very low | 97 Ų | 97 | 133.3 Ų | 133.3 | 68% | 0.678 | 78% | 0.779 | S | S | * | * | trans | -97.9 | 127.6 | 171.3 | -60.1 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 132 | D | 32.1 | Very low | 34.4 | Very low | 162 Ų | 162 | 135.3 Ų | 135.3 | 87% | 0.866 | 78% | 0.784 | S | S | * | * | trans | -142.9 | 162.5 | 153.7 | -131.1 | -27.4 | 0 | 0 | 0 | 114.1 | ||||
| 133 | R | 36.9 | Very low | 34.6 | Very low | 215 Ų | 215 | 135.3 Ų | 135.3 | 81% | 0.811 | 79% | 0.788 | S | S | * | * | trans | -136.5 | 114.5 | -146.1 | -35 | 178.4 | -169.1 | -163.5 | -1.7 | 113.7 | ||||
| 134 | S | 33.8 | Very low | 34.3 | Very low | 105 Ų | 105 | 130.8 Ų | 130.8 | 73% | 0.734 | 78% | 0.776 | S | S | * | * | trans | -161.5 | 132.6 | 163.1 | -151.1 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 135 | S | 32.6 | Very low | 34.3 | Very low | 97 Ų | 97 | 135 Ų | 135 | 68% | 0.678 | 79% | 0.792 | S | S | * | * | cis | 57.8 | 139.1 | 42.2 | 90.3 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 136 | V | 31.7 | Very low | 34.6 | Very low | 121 Ų | 121 | 131.5 Ų | 131.5 | 73% | 0.733 | 80% | 0.795 | S | S | * | * | cis | -150.5 | 150 | 23.5 | -165.5 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 137 | V | 32.4 | Very low | 34.9 | Very low | 139 Ų | 139 | 128.1 Ų | 128.1 | 84% | 0.842 | 78% | 0.782 | S | S | * | * | trans | 56.3 | 137.2 | 159.5 | 157.8 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 138 | G | 29 | Very low | 35.4 | Very low | 70 Ų | 70 | 130 Ų | 130 | 72% | 0.722 | 79% | 0.786 | S | S | * | * | cis | 118 | 137.9 | 18.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 139 | G | 30.8 | Very low | 35.7 | Very low | 73 Ų | 73 | 130 Ų | 130 | 75% | 0.753 | 79% | 0.786 | S | S | * | * | trans | 156.2 | 122.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 140 | D | 30.8 | Very low | 35.7 | Very low | 174 Ų | 174 | 132.6 Ų | 132.6 | 93% | 0.93 | 79% | 0.788 | S | S | * | * | trans | -71.2 | 159.4 | -178.5 | -46.6 | -93.3 | 0 | 0 | 0 | 112.8 | ||||
| 141 | G | 35.5 | Very low | 36.2 | Very low | 78 Ų | 78 | 128.9 Ų | 128.9 | 80% | 0.804 | 78% | 0.778 | S | S | * | * | trans | -167.8 | 46.9 | -171.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | S143 | G141-S143 PolarHBondContact O-N 3.49Š| ||
| 142 | E | 34.8 | Very low | 37.2 | Very low | 197 Ų | 197 | 129.7 Ų | 129.7 | 92% | 0.921 | 78% | 0.775 | S | S | * | * | trans | -66.1 | 120.6 | 170.4 | -175.3 | -175.2 | 127.4 | 0 | 0 | 110.8 | ||||
| 143 | S | 38.2 | Very low | 38.3 | Very low | 108 Ų | 108 | 129.6 Ų | 129.6 | 76% | 0.755 | 77% | 0.769 | S | S | * | * | trans | -157.7 | 98.5 | 165.7 | -166 | 0 | 0 | 0 | 0 | 113.6 | G141 | G141-S143 PolarHBondContact O-N 3.49Š| ||
| 144 | S | 36.7 | Very low | 38.8 | Very low | 96 Ų | 96 | 126.3 Ų | 126.3 | 67% | 0.671 | 76% | 0.763 | S | S | * | * | trans | 26.5 | 120.9 | 133.8 | -56.3 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 145 | F | 37 | Very low | 39.9 | Very low | 205 Ų | 205 | 128.6 Ų | 128.6 | 90% | 0.899 | 77% | 0.767 | S | S | * | * | trans | -54 | 145.7 | 154.7 | -62.8 | -96.7 | 0 | 0 | 0 | 112.1 | ||||
| 146 | P | 41.2 | Very low | 40.8 | Very low | 118 Ų | 118 | 134 Ų | 134 | 77% | 0.766 | 77% | 0.773 | S | S | * | * | trans | -118.1 | 127.3 | 135.7 | 33.5 | -27.8 | 0 | 0 | 0 | 110.5 | P148 | P146-P148 WeakPolarHBondContact O-CD 3.39Š| ||
| 147 | T | 38.6 | Very low | 41.4 | Very low | 114 Ų | 114 | 133.9 Ų | 133.9 | 70% | 0.699 | 77% | 0.774 | S | S | * | * | trans | -75.5 | 122.9 | 174 | 42.9 | 0 | 0 | 0 | 0 | 111.1 | V149 | T147-V149 PolarHBondContact O-N 3.13Å; T147-V149 VanDerWaalsContact O-N 3.1Å | ||
| 148 | P | 43.5 | Very low | 42 | Very low | 129 Ų | 129 | 134 Ų | 134 | 84% | 0.838 | 78% | 0.775 | S | S | * | * | trans | -81.2 | 86.1 | 166.7 | 32.6 | -31.6 | 0 | 0 | 0 | 109.5 | P146 E150 | P146-P148 WeakPolarHBondContact O-CD 3.39Å; P148-E150 PolarHBondContact O-N 2.97Å | ||
| 149 | V | 44.4 | Very low | 43.3 | Very low | 130 Ų | 130 | 136.8 Ų | 136.8 | 79% | 0.788 | 78% | 0.778 | S | S | * | * | trans | -75.5 | 97 | 160.9 | 176.4 | 0 | 0 | 0 | 0 | 107.7 | T147 | T147-V149 PolarHBondContact O-N 3.13Å; T147-V149 VanDerWaalsContact O-N 3.1Å | ||
| 150 | E | 43.5 | Very low | 43.9 | Very low | 170 Ų | 170 | 136.6 Ų | 136.6 | 79% | 0.794 | 78% | 0.776 | S | S | * | * | trans | -153.2 | 117.3 | 154.9 | -122.2 | -171.9 | 143.3 | 0 | 0 | 115.2 | P148 | P148-E150 PolarHBondContact O-N 2.97Š| ||
| 151 | V | 43.8 | Very low | 44.7 | Very low | 108 Ų | 108 | 136.4 Ų | 136.4 | 66% | 0.655 | 77% | 0.773 | S | S | * | * | trans | 46.6 | 114.9 | 136.5 | 176.7 | 0 | 0 | 0 | 0 | 118.9 | Q153 | V151-Q153 WeakPolarHBondContact O-CG 3.43Å; V151-Q153 PolarHBondContact O-N 3.25Å | ||
| 152 | N | 53.4 | Low | 45.3 | Very low | 115 Ų | 115 | 138 Ų | 138 | 62% | 0.615 | 77% | 0.772 | S | S | * | * | trans | -41.9 | 122.7 | 158.7 | -179.7 | -0 | 0 | 0 | 0 | 112.9 | E154 | N152-E154 PolarHBondContact ND2-OE1 3.42Å; N152-E154 WeakPolarHBondContact OD1-CB 3.34Å; N152-E154 WeakPolarHBondContact OD1-CG 3.42Å; N152-E154 PolarHBondContact OD1-N 2.74Å | ||
| 153 | Q | 55.3 | Low | 45.6 | Very low | 159 Ų | 159 | 131.6 Ų | 131.6 | 74% | 0.743 | 76% | 0.759 | S | S | * | * | trans | -102.8 | 19.7 | 179.7 | -58.7 | -166.2 | 30.7 | 0 | 0 | 114.2 | V151 N155 | V151-Q153 WeakPolarHBondContact O-CG 3.43Å; V151-Q153 PolarHBondContact O-N 3.25Å; Q153-N155 VanDerWaalsContact C-N 3.26Å; Q153-N155 PolarHBondContact O-N 3.39Å | ||
| 154 | E | 47.4 | Very low | 46.3 | Very low | 146 Ų | 146 | 133 Ų | 133 | 68% | 0.682 | 76% | 0.763 | S | S | * | * | trans | -70.9 | 81.7 | 170.5 | 85.4 | -169.5 | 128.4 | 0 | 0 | 111 | N152 | N152-E154 PolarHBondContact ND2-OE1 3.42Å; N152-E154 WeakPolarHBondContact OD1-CB 3.34Å; N152-E154 WeakPolarHBondContact OD1-CG 3.42Å; N152-E154 PolarHBondContact OD1-N 2.74Å | ||
| 155 | N | 56.6 | Low | 46.8 | Very low | 153 Ų | 153 | 139.1 Ų | 139.1 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | trans | 160.4 | 95 | 146.1 | -89.7 | -66.6 | 0 | 0 | 0 | 110.5 | Q153 | Q153-N155 VanDerWaalsContact C-N 3.26Å; Q153-N155 PolarHBondContact O-N 3.39Å | ||
| 156 | R | 51.6 | Low | 47.5 | Very low | 211 Ų | 211 | 140.8 Ų | 140.8 | 80% | 0.796 | 77% | 0.772 | S | S | * | * | trans | -124.7 | 130.3 | 155 | -75.4 | -172 | 177.1 | -175.5 | 1.9 | 109.2 | V158 | R156-V158 PolarHBondContact O-N 2.89Š| ||
| 157 | P | 46 | Very low | 47.9 | Very low | 118 Ų | 118 | 144.1 Ų | 144.1 | 77% | 0.766 | 78% | 0.778 | S | S | * | * | trans | -67.3 | 122.5 | 170.6 | 28.4 | -32.6 | 0 | 0 | 0 | 108.9 | T159 | P157-T159 PolarHBondContact O-N 3.04Š| ||
| 158 | V | 44.3 | Very low | 48.6 | Very low | 141 Ų | 141 | 142.8 Ų | 142.8 | 86% | 0.855 | 78% | 0.778 | S | S | * | * | trans | -71.5 | 99.4 | 178.1 | 179.6 | 0 | 0 | 0 | 0 | 109.2 | R156 G160 | R156-V158 PolarHBondContact O-N 2.89Å; V158-G160 PolarHBondContact O-N 3.42Å | ||
| 159 | T | 55.3 | Low | 48.9 | Very low | 129 Ų | 129 | 142.6 Ų | 142.6 | 79% | 0.791 | 78% | 0.777 | S | S | * | * | trans | -68.1 | 115 | 166.3 | 39.1 | 0 | 0 | 0 | 0 | 108.8 | P157 I161 | P157-T159 PolarHBondContact O-N 3.04Å; T159-I161 PolarHBondContact O-N 3.41Å | ||
| 160 | G | 43.4 | Very low | 49 | Very low | 69 Ų | 69 | 142.3 Ų | 142.3 | 71% | 0.711 | 78% | 0.779 | S | S | * | * | trans | -60.1 | 133 | -171.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | V158 S162 | V158-G160 PolarHBondContact O-N 3.42Å; G160-S162 PolarHBondContact O-N 3.27Å | ||
| 161 | I | 48 | Very low | 49.5 | Very low | 170 Ų | 170 | 140.8 Ų | 140.8 | 87% | 0.872 | 78% | 0.781 | S | S | * | * | trans | -65.1 | 120.7 | 179.2 | -54.7 | 175.6 | 0 | 0 | 0 | 109.3 | T159 G163 | T159-I161 PolarHBondContact O-N 3.41Å; I161-G163 VanDerWaalsContact C-N 3.35Å; I161-G163 PolarHBondContact O-N 3.43Å | ||
| 162 | S | 49.3 | Very low | 49.6 | Very low | 112 Ų | 112 | 147 Ų | 147 | 78% | 0.783 | 79% | 0.793 | S | S | * | * | trans | -74 | 82.2 | -177.9 | -169.8 | 0 | 0 | 0 | 0 | 112 | G160 T164 | G160-S162 PolarHBondContact O-N 3.27Å; S162-T164 PolarHBondContact O-N 3.47Å | ||
| 163 | G | 41.3 | Very low | 49.6 | Very low | 63 Ų | 63 | 153 Ų | 153 | 65% | 0.649 | 81% | 0.807 | S | S | * | * | trans | -73.4 | 114.6 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | I161 R165 | I161-G163 VanDerWaalsContact C-N 3.35Å; I161-G163 PolarHBondContact O-N 3.43Å; G163-R165 VanDerWaalsContact C-N 3.3Å; G163-R165 PolarHBondContact O-N 3.1Å | ||
| 164 | T | 51.8 | Low | 49.4 | Very low | 136 Ų | 136 | 155 Ų | 155 | 83% | 0.834 | 81% | 0.813 | S | S | * | * | trans | -71.4 | 75.3 | -177 | 40.5 | 0 | 0 | 0 | 0 | 113.1 | S162 R166 | S162-T164 PolarHBondContact O-N 3.47Å; T164-R166 PolarHBondContact O-N 3.35Å | ||
| 165 | R | 47.4 | Very low | 49.3 | Very low | 226 Ų | 226 | 159.2 Ų | 159.2 | 85% | 0.853 | 82% | 0.823 | S | S | * | * | trans | -67.4 | 101.6 | 178 | -169.1 | 174.4 | -169.5 | -99.4 | 2.3 | 111.2 | G163 Q167 | G163-R165 VanDerWaalsContact C-N 3.3Å; G163-R165 PolarHBondContact O-N 3.1Å; R165-Q167 PolarHBondContact O-N 3.21Å | ||
| 166 | R | 52.3 | Low | 48.7 | Very low | 239 Ų | 239 | 156.4 Ų | 156.4 | 90% | 0.902 | 82% | 0.815 | S | S | * | * | trans | -52.1 | 125 | 172.9 | -55.2 | -174.6 | -166 | -167.1 | 5 | 109.8 | T164 A168 | T164-R166 PolarHBondContact O-N 3.35Å; R166-A168 PolarHBondContact O-N 2.84Å | ||
| 167 | Q | 48.4 | Very low | 48.6 | Very low | 189 Ų | 189 | 152.3 Ų | 152.3 | 88% | 0.883 | 82% | 0.819 | S | S | * | * | trans | -84.2 | 114.5 | 178.4 | -62.3 | -171.5 | 26.5 | 0 | 0 | 110.2 | R165 | R165-Q167 PolarHBondContact O-N 3.21Š| ||
| 168 | A | 54.3 | Low | 48.5 | Very low | 86 Ų | 86 | 152.6 Ų | 152.6 | 71% | 0.711 | 82% | 0.818 | S | S | * | * | trans | -90.6 | 134.5 | 162.4 | 0 | 0 | 0 | 0 | 0 | 109 | R166 C170 | R166-A168 PolarHBondContact O-N 2.84Å; A168-C170 PolarHBondContact O-N 3.23Å | ||
| 169 | P | 48.6 | Very low | 49 | Very low | 125 Ų | 125 | 151.1 Ų | 151.1 | 81% | 0.812 | 82% | 0.821 | S | S | * | * | trans | -73.8 | 101.1 | -174.6 | 28.7 | -34.4 | 0 | 0 | 0 | 111.6 | V171 | P169-V171 PolarHBondContact O-N 2.92Š| ||
| 170 | C | 46.6 | Very low | 48.6 | Very low | 123 Ų | 123 | 149.1 Ų | 149.1 | 83% | 0.831 | 82% | 0.818 | S | S | * | * | trans | -74 | 109 | 171.9 | 52 | 0 | 0 | 0 | 0 | 110.7 | A168 R172 | A168-C170 PolarHBondContact O-N 3.23Å; C170-R172 PolarHBondContact O-N 2.91Å; C170-R172 VanDerWaalsContact O-N 3.13Å | ||
| 171 | V | 53.6 | Low | 49.1 | Very low | 139 Ų | 139 | 152.8 Ų | 152.8 | 84% | 0.842 | 82% | 0.821 | S | S | * | * | trans | -63.3 | 115.1 | -178.7 | -179.5 | 0 | 0 | 0 | 0 | 110.6 | P169 R173 | P169-V171 PolarHBondContact O-N 2.92Å; V171-R173 PolarHBondContact O-N 2.97Å | ||
| 172 | R | 46.1 | Very low | 49.2 | Very low | 238 Ų | 238 | 152.3 Ų | 152.3 | 90% | 0.898 | 82% | 0.82 | S | S | * | * | trans | -73.1 | 85.6 | -174.4 | -170.2 | -179.3 | -175.1 | -179.5 | 2.6 | 112 | C170 K174 | C170-R172 PolarHBondContact O-N 2.91Å; C170-R172 VanDerWaalsContact O-N 3.13Å; R172-K174 PolarHBondContact O-N 2.82Å | ||
| 173 | R | 53.2 | Low | 49.9 | Very low | 241 Ų | 241 | 154.1 Ų | 154.1 | 91% | 0.909 | 82% | 0.821 | S | S | * | * | trans | -59.4 | 107 | 166.5 | -97.1 | -176.9 | 165.1 | 172.1 | -4.8 | 110 | V171 R175 | V171-R173 PolarHBondContact O-N 2.97Å; R173-R175 PolarHBondContact O-N 2.86Å; R173-R175 VanDerWaalsContact O-N 3.14Å | ||
| 174 | K | 51.5 | Low | 50.8 | Low | 202 Ų | 202 | 156.5 Ų | 156.5 | 88% | 0.878 | 82% | 0.819 | S | S | * | * | trans | -71.6 | 99.7 | 175.2 | -174.5 | 178.5 | -178.7 | -179.4 | 0 | 109.5 | R172 | R172-K174 PolarHBondContact O-N 2.82Š| ||
| 175 | R | 45.1 | Very low | 51.4 | Low | 233 Ų | 233 | 154.9 Ų | 154.9 | 88% | 0.879 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 133.9 | 167.1 | -173.5 | 175.5 | -73.2 | -147.5 | -0.2 | 108.7 | R173 | R173-R175 PolarHBondContact O-N 2.86Å; R173-R175 VanDerWaalsContact O-N 3.14Å |
| 176 | S | 45 | Very low | 52.4 | Low | 94 Ų | 94 | 149.4 Ų | 149.4 | 66% | 0.657 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 145.7 | 171.7 | 37.2 | 0 | 0 | 0 | 0 | 111.1 | T178 | S176-T178 PolarHBondContact O-N 3.04Š|
| 177 | S | 49.2 | Very low | 53.3 | Low | 125 Ų | 125 | 145.3 Ų | 145.3 | 87% | 0.874 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 116 | 173.7 | 49.6 | 0 | 0 | 0 | 0 | 110.7 | ||
| 178 | T | 42.8 | Very low | 54.2 | Low | 124 Ų | 124 | 140.7 Ų | 140.7 | 76% | 0.761 | 77% | 0.772 | S | S | * | * | trans | -128.7 | 121.2 | 166.6 | 51.3 | 0 | 0 | 0 | 0 | 107.3 | S176 | S176-T178 PolarHBondContact O-N 3.04Š| ||
| 179 | A | 55 | Low | 54.7 | Low | 111 Ų | 111 | 140.8 Ų | 140.8 | 92% | 0.917 | 76% | 0.761 | S | S | * | * | trans | -72.6 | 139.9 | -170.1 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 180 | A | 47.9 | Very low | 55.4 | Low | 86 Ų | 86 | 142.4 Ų | 142.4 | 71% | 0.711 | 76% | 0.755 | S | S | * | * | trans | -162.3 | 107.9 | 163.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 181 | D | 54.3 | Low | 56 | Low | 147 Ų | 147 | 145.2 Ų | 145.2 | 79% | 0.786 | 75% | 0.754 | S | S | * | * | trans | 33.6 | 87 | 164.3 | -57.1 | -21.3 | 0 | 0 | 0 | 119.2 | N183 | D181-N183 VanDerWaalsContact C-N 3.26Å; D181-N183 PolarHBondContact O-N 3.3Å | ||
| 182 | D | 48.4 | Very low | 56.2 | Low | 160 Ų | 160 | 144.5 Ų | 144.5 | 86% | 0.856 | 75% | 0.75 | S | S | * | * | trans | -68.8 | 69.6 | 171.5 | -72.8 | -59.5 | 0 | 0 | 0 | 113.5 | N184 | D182-N184 PolarHBondContact O-N 3.44Š| ||
| 183 | N | 64.5 | Low | 56.8 | Low | 150 Ų | 150 | 142.9 Ų | 142.9 | 80% | 0.802 | 75% | 0.749 | S | S | * | * | trans | -80.3 | 46.3 | 167.4 | -79.6 | -75.6 | 0 | 0 | 0 | 112.3 | D181 | D181-N183 VanDerWaalsContact C-N 3.26Å; D181-N183 PolarHBondContact O-N 3.3Å | ||
| 184 | N | 60.4 | Low | 57.2 | Low | 113 Ų | 113 | 142.8 Ų | 142.8 | 60% | 0.604 | 75% | 0.749 | S | S | * | * | trans | -112.1 | 62.2 | 179.7 | -171.4 | 37.5 | 0 | 0 | 0 | 111 | D182 | D182-N184 PolarHBondContact O-N 3.44Š| ||
| 185 | T | 64.3 | Low | 57.7 | Low | 102 Ų | 102 | 142.8 Ų | 142.8 | 63% | 0.626 | 75% | 0.749 | S | S | * | * | trans | -71.3 | 126.1 | 170.7 | 38.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 186 | H | 69.2 | Low | 57.7 | Low | 110 Ų | 110 | 141 Ų | 141 | 51% | 0.509 | 75% | 0.747 | S | S | . | * | trans | -80.5 | 148.4 | 178.8 | -75.7 | -92 | 0 | 0 | 0 | 110 | T188 D189 | H186-T188 PolarHBondContact O-N 3.46Å; H186-D189 PolarHBondContact N-OD2 3.01Å; H186-D189 WeakPolarHBondContact O-CB 3.33Å; H186-D189 PolarHBondContact O-N 3.28Å | ||
| 187 | I | 70.3 | Confident | 57.7 | Low | 153 Ų | 153 | 140.9 Ų | 140.9 | 79% | 0.785 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.3 | -19.7 | -174.6 | -163.4 | 167.7 | 0 | 0 | 0 | 113.8 | D189 | I187-D189 VanDerWaalsContact C-N 3.33Š|
| 188 | T | 66.8 | Low | 57.7 | Low | 93 Ų | 93 | 139.5 Ų | 139.5 | 57% | 0.571 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.7 | -29.2 | 172.7 | 41.1 | 0 | 0 | 0 | 0 | 114.3 | H186 F190 F191 | H186-T188 PolarHBondContact O-N 3.46Å; T188-F190 VanDerWaalsContact C-N 3.27Å; T188-F190 PolarHBondContact O-N 3.41Å; T188-F191 PolarHBondContact O-N 2.89Å |
| 189 | D | 65 | Low | 57.6 | Low | 87 Ų | 87 | 141.3 Ų | 141.3 | 47% | 0.465 | 75% | 0.753 | S | S | . | * | G | 310 helix | trans | -76.3 | -20.3 | -160 | -54.1 | -13.1 | 0 | 0 | 0 | 112.1 | H186 I187 F191 | H186-D189 PolarHBondContact N-OD2 3.01Å; H186-D189 WeakPolarHBondContact O-CB 3.33Å; H186-D189 PolarHBondContact O-N 3.28Å; I187-D189 VanDerWaalsContact C-N 3.33Å; D189-F191 VanDerWaalsContact C-N 3.33Å; D189-F191 PolarHBondContact O-N 3.27Å |
| 190 | F | 63.9 | Low | 57.6 | Low | 160 Ų | 160 | 147.2 Ų | 147.2 | 70% | 0.702 | 75% | 0.752 | S | S | * | * | G | 310 helix | trans | -69 | -23.1 | 179.4 | -82.5 | -91.8 | 0 | 0 | 0 | 114.4 | T188 | T188-F190 VanDerWaalsContact C-N 3.27Å; T188-F190 PolarHBondContact O-N 3.41Å |
| 191 | F | 59.5 | Low | 58.3 | Low | 181 Ų | 181 | 150.5 Ų | 150.5 | 79% | 0.794 | 76% | 0.757 | S | S | * | * | G | 310 helix | trans | -97.4 | -2.1 | -165.3 | -72.8 | -80.7 | 0 | 0 | 0 | 115.9 | T188 D189 K193 | T188-F191 PolarHBondContact O-N 2.89Å; D189-F191 VanDerWaalsContact C-N 3.33Å; D189-F191 PolarHBondContact O-N 3.27Å; F191-K193 PolarHBondContact O-N 2.81Å |
| 192 | V | 57.4 | Low | 58.2 | Low | 125 Ų | 125 | 149.6 Ų | 149.6 | 76% | 0.758 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -78.1 | -17.4 | -172.1 | -170.1 | 0 | 0 | 0 | 0 | 113.6 | R194 | V192-R194 PolarHBondContact O-N 2.93Š|
| 193 | K | 59.2 | Low | 58.8 | Low | 203 Ų | 203 | 151.2 Ų | 151.2 | 88% | 0.883 | 76% | 0.758 | S | S | * | * | trans | -101.6 | 78 | -169.6 | -78.5 | 175.9 | 175.5 | 169.2 | 0 | 115.2 | F191 | F191-K193 PolarHBondContact O-N 2.81Š| ||
| 194 | R | 60.9 | Low | 58.4 | Low | 239 Ų | 239 | 149.1 Ų | 149.1 | 90% | 0.902 | 75% | 0.753 | S | S | * | * | trans | -145.5 | 61.1 | 154.4 | -159.7 | -177.6 | -75.5 | -169.5 | -1.1 | 114.8 | V192 | V192-R194 PolarHBondContact O-N 2.93Š| ||
| 195 | K | 62.5 | Low | 58 | Low | 203 Ų | 203 | 150 Ų | 150 | 88% | 0.883 | 77% | 0.765 | S | S | * | * | trans | -172.8 | 153 | 161.9 | -104.8 | 163.4 | 62.4 | -176.1 | 0 | 106.1 | ||||
| 196 | K | 45.7 | Very low | 57.4 | Low | 194 Ų | 194 | 152.7 Ų | 152.7 | 84% | 0.843 | 77% | 0.774 | S | S | * | * | cis | -161.8 | 137.6 | -3.1 | 161.5 | -147.3 | 171.1 | -168.2 | 0 | 104.6 | ||||
| 197 | A | 44.4 | Very low | 56.5 | Low | 93 Ų | 93 | 152.6 Ų | 152.6 | 77% | 0.769 | 79% | 0.785 | S | S | * | * | cis | -163.5 | -143.1 | -13.3 | 0 | 0 | 0 | 0 | 0 | 103.9 | ||||
| 198 | A | 48.6 | Very low | 55.8 | Low | 96 Ų | 96 | 151.5 Ų | 151.5 | 79% | 0.793 | 79% | 0.786 | S | S | * | * | cis | -165.4 | 163.3 | -5.5 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 199 | D | 41.1 | Very low | 55.1 | Low | 161 Ų | 161 | 156.3 Ų | 156.3 | 86% | 0.861 | 80% | 0.799 | S | S | * | * | trans | -142.2 | 160.2 | 158.1 | -146.4 | -22.6 | 0 | 0 | 0 | 111.4 | ||||
| 200 | R | 56.2 | Low | 54.7 | Low | 235 Ų | 235 | 160.8 Ų | 160.8 | 89% | 0.887 | 82% | 0.817 | S | S | * | * | trans | -106.8 | 109.2 | -167.1 | -71.2 | -173 | 176.2 | -161.5 | 1.6 | 113.7 | ||||
| 201 | L | 61.3 | Low | 54.5 | Low | 156 Ų | 156 | 159.2 Ų | 159.2 | 82% | 0.817 | 82% | 0.821 | S | S | * | * | trans | -120.6 | 143.6 | 152.4 | -87 | 85 | 0 | 0 | 0 | 110.8 | ||||
| 202 | P | 52 | Low | 54.5 | Low | 127 Ų | 127 | 155.9 Ų | 155.9 | 83% | 0.825 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 139.1 | 178.1 | 30 | -34.3 | 0 | 0 | 0 | 111.3 | ||
| 203 | K | 61.5 | Low | 54.8 | Low | 194 Ų | 194 | 161.6 Ų | 161.6 | 84% | 0.843 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -96.4 | 139.7 | 171 | -67.6 | -179.5 | 177.5 | -178.5 | 0 | 109.8 | ||
| 204 | P | 55.5 | Low | 55.3 | Low | 107 Ų | 107 | 161 Ų | 161 | 70% | 0.695 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 153.5 | 171.3 | 29.4 | -34.7 | 0 | 0 | 0 | 111.1 | I206 | P204-I206 PolarHBondContact O-N 3.03Š|
| 205 | P | 52.4 | Low | 55 | Low | 132 Ų | 132 | 161 Ų | 161 | 86% | 0.857 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 116.5 | -176.8 | 28.8 | -34.2 | 0 | 0 | 0 | 111.7 | ||
| 206 | I | 51.4 | Low | 55 | Low | 157 Ų | 157 | 158.7 Ų | 158.7 | 81% | 0.805 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -82.8 | 121.5 | 169.9 | -59.9 | 174.3 | 0 | 0 | 0 | 108.2 | P204 V208 | P204-I206 PolarHBondContact O-N 3.03Å; I206-V208 PolarHBondContact O-N 3.14Å |
| 207 | S | 50.5 | Low | 55.9 | Low | 108 Ų | 108 | 164.5 Ų | 164.5 | 76% | 0.755 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 117.9 | -178.6 | 52.9 | 0 | 0 | 0 | 0 | 112 | K209 | S207-K209 PolarHBondContact O-N 3.03Š|
| 208 | V | 55.4 | Low | 56.5 | Low | 131 Ų | 131 | 168.1 Ų | 168.1 | 79% | 0.794 | 84% | 0.84 | S | S | * | * | trans | -82.6 | 100.2 | 177.1 | -175.6 | 0 | 0 | 0 | 0 | 109.5 | I206 Q210 | I206-V208 PolarHBondContact O-N 3.14Å; V208-Q210 VanDerWaalsContact C-N 3.33Å; V208-Q210 PolarHBondContact O-N 3.27Å | ||
| 209 | K | 52.8 | Low | 56.9 | Low | 194 Ų | 194 | 171.8 Ų | 171.8 | 84% | 0.843 | 84% | 0.843 | S | S | * | * | trans | -71.5 | 88.9 | 166.5 | -81.6 | -168.6 | 175.2 | -178.2 | 0 | 110 | S207 T211 | S207-K209 PolarHBondContact O-N 3.03Å; K209-T211 PolarHBondContact O-N 3.49Å; K209-T211 VanDerWaalsContact O-N 3.13Å | ||
| 210 | Q | 56.2 | Low | 57.8 | Low | 181 Ų | 181 | 172.4 Ų | 172.4 | 85% | 0.846 | 84% | 0.842 | S | S | * | * | trans | -68.2 | 103.3 | 175.7 | -179.1 | 172.8 | -28.8 | 0 | 0 | 110.9 | V208 | V208-Q210 VanDerWaalsContact C-N 3.33Å; V208-Q210 PolarHBondContact O-N 3.27Å | ||
| 211 | T | 60 | Low | 57.9 | Low | 127 Ų | 127 | 168.8 Ų | 168.8 | 78% | 0.779 | 84% | 0.839 | S | S | * | * | trans | -77.5 | 123.5 | 175.6 | 49 | 0 | 0 | 0 | 0 | 110.6 | K209 R213 | K209-T211 PolarHBondContact O-N 3.49Å; K209-T211 VanDerWaalsContact O-N 3.13Å; T211-R213 PolarHBondContact O-N 3.06Å | ||
| 212 | S | 60.3 | Low | 57.6 | Low | 110 Ų | 110 | 169.6 Ų | 169.6 | 77% | 0.769 | 84% | 0.841 | S | S | * | * | trans | -78.3 | 91.1 | -177.4 | 44.8 | 0 | 0 | 0 | 0 | 111.5 | K214 | S212-K214 PolarHBondContact O-N 3.13Š| ||
| 213 | R | 63.9 | Low | 58 | Low | 245 Ų | 245 | 172.4 Ų | 172.4 | 93% | 0.925 | 84% | 0.842 | S | S | * | * | trans | -65.8 | 92.6 | 176.6 | -160.8 | 176.5 | -165.9 | -177.5 | 4.5 | 110.5 | T211 R215 | T211-R213 PolarHBondContact O-N 3.06Å; R213-R215 PolarHBondContact O-N 3.27Å | ||
| 214 | K | 68.3 | Low | 57.8 | Low | 192 Ų | 192 | 170.9 Ų | 170.9 | 84% | 0.835 | 84% | 0.842 | S | S | * | * | trans | -57.4 | 120.8 | 178 | -72.9 | -174.1 | 177.3 | -179.3 | 0 | 110.3 | S212 | S212-K214 PolarHBondContact O-N 3.13Š| ||
| 215 | R | 55.9 | Low | 57.9 | Low | 239 Ų | 239 | 175.8 Ų | 175.8 | 90% | 0.902 | 85% | 0.853 | S | S | * | * | trans | -79.9 | 114 | 167.4 | 174.5 | 175 | 169.2 | -171.4 | -2.9 | 108.2 | R213 | R213-R215 PolarHBondContact O-N 3.27Š| ||
| 216 | I | 60.6 | Low | 58.4 | Low | 154 Ų | 154 | 179.4 Ų | 179.4 | 79% | 0.79 | 85% | 0.853 | S | S | * | * | trans | -67.5 | 149.1 | 168 | -62.6 | 173.6 | 0 | 0 | 0 | 108 | ||||
| 217 | R | 65.6 | Low | 59 | Low | 315 Ų | 315 | 181.5 Ų | 181.5 | 100% | 1.189 | 86% | 0.857 | S | S | * | * | trans | -90.8 | 0 | 175.2 | -83.8 | -171.6 | 169.5 | 104.2 | -5.5 | 110.2 |
Retrieved 217 of 217 residues in 52.7 ms
(Link to these results)