| 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 | 59.8 | Low | 78 | Confident | 175 Ų | 175 | 120.5 Ų | 120.5 | 86% | 0.862 | 59% | 0.588 | S | S | * | * | 0 | 117.7 | 0 | -72.4 | -72.6 | 147.7 | 0 | 0 | 106.1 | R9 | M1-R9 PolarHBondContact SD-NH1 3.36Å; M1-R9 VanDerWaalsContact SD-NH1 3.36Å | |||
| 2 | D | 89.8 | Confident | 77.7 | Confident | 96 Ų | 96 | 116.6 Ų | 116.6 | 51% | 0.513 | 59% | 0.59 | S | S | . | * | trans | -72.4 | 160.1 | 179.7 | -179.5 | 28.3 | 0 | 0 | 0 | 111 | H4 D5 L6 | D2-H4 VanDerWaalsContact C-N 3.27Å; D2-H4 PolarHBondContact O-N 3.29Å; D2-H4 IonicContact OD2-CD2 3.4Å; D2-H4 PolarHBondContact OD2-CD2 3.5Å; D2-H4 IonicContact OD2-CG 3.97Å; D2-D5 HydrophobicContact CB-CB 4.33Å; D2-D5 WeakPolarHBondContact O-CA 3.35Å; D2-D5 VanDerWaalsContact O-CB 3.28Å; D2-D5 WeakPolarHBondContact O-CB 3.39Å; D2-D5 PolarHBondContact O-N 3.14Å; D2-L6 PolarHBondContact O-N 3.33Å | ||
| 3 | V | 78.3 | Confident | 77 | Confident | 88 Ų | 88 | 113.5 Ų | 113.5 | 53% | 0.533 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -57.9 | -41.8 | 179.5 | 174.9 | 0 | 0 | 0 | 0 | 110.7 | D5 L6 F7 | V3-D5 VanDerWaalsContact C-N 3.32Å; V3-D5 PolarHBondContact O-N 3.08Å; V3-L6 WeakPolarHBondContact O-CB 3.26Å; V3-L6 PolarHBondContact O-N 2.76Å; V3-F7 HydrophobicContact CG1-CD2 4.01Å; V3-F7 HydrophobicContact CG1-CE2 3.48Å; V3-F7 VanDerWaalsContact CG1-CE2 3.48Å; V3-F7 WeakPolarHBondContact O-CD2 3.11Å; V3-F7 PolarHBondContact O-N 2.73Å |
| 4 | H | 76.7 | Confident | 77.2 | Confident | 137 Ų | 137 | 111.1 Ų | 111.1 | 63% | 0.634 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -64.1 | -38 | 175.6 | -64.2 | -67.1 | 0 | 0 | 0 | 112.3 | D2 L6 F7 R8 | D2-H4 VanDerWaalsContact C-N 3.27Å; D2-H4 PolarHBondContact O-N 3.29Å; D2-H4 IonicContact OD2-CD2 3.4Å; D2-H4 PolarHBondContact OD2-CD2 3.5Å; D2-H4 IonicContact OD2-CG 3.97Å; H4-L6 VanDerWaalsContact C-N 3.34Å; H4-F7 PolarHBondContact O-N 3.14Å; H4-R8 WeakPolarHBondContact O-CB 3.34Å; H4-R8 WeakPolarHBondContact O-CG 3.23Å; H4-R8 PolarHBondContact O-N 3.01Å |
| 5 | D | 84.6 | Confident | 77.1 | Confident | 80 Ų | 80 | 117.1 Ų | 117.1 | 43% | 0.428 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -67.1 | -34.5 | 176.6 | -113.3 | 7.9 | 0 | 0 | 0 | 112.2 | D2 V3 R9 | D2-D5 HydrophobicContact CB-CB 4.33Å; D2-D5 WeakPolarHBondContact O-CA 3.35Å; D2-D5 VanDerWaalsContact O-CB 3.28Å; D2-D5 WeakPolarHBondContact O-CB 3.39Å; D2-D5 PolarHBondContact O-N 3.14Å; V3-D5 VanDerWaalsContact C-N 3.32Å; V3-D5 PolarHBondContact O-N 3.08Å; D5-R9 WeakPolarHBondContact O-CB 3.06Å; D5-R9 VanDerWaalsContact O-CG 3.26Å; D5-R9 WeakPolarHBondContact O-CG 3.25Å; D5-R9 PolarHBondContact O-N 3.19Å |
| 6 | L | 81.6 | Confident | 77 | Confident | 89 Ų | 89 | 115.6 Ų | 115.6 | 47% | 0.466 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -64.5 | -47.6 | 174.6 | -177.3 | 62.3 | 0 | 0 | 0 | 111.2 | D2 V3 H4 R9 L10 | D2-L6 PolarHBondContact O-N 3.33Å; V3-L6 WeakPolarHBondContact O-CB 3.26Å; V3-L6 PolarHBondContact O-N 2.76Å; H4-L6 VanDerWaalsContact C-N 3.34Å; L6-R9 PolarHBondContact O-N 3.16Å; L6-L10 HydrophobicContact CD1-CD1 3.92Å; L6-L10 HydrophobicContact CD1-CG 4.01Å; L6-L10 HydrophobicContact CD2-CD1 4.43Å; L6-L10 HydrophobicContact CG-CD1 3.74Å; L6-L10 HydrophobicContact CG-CG 4.25Å; L6-L10 VanDerWaalsContact O-CB 3.32Å; L6-L10 WeakPolarHBondContact O-CB 3.4Å; L6-L10 WeakPolarHBondContact O-CG 3.36Å; L6-L10 PolarHBondContact O-N 3.22Å |
| 7 | F | 77.9 | Confident | 77.5 | Confident | 138 Ų | 138 | 112.2 Ų | 112.2 | 61% | 0.605 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -66.4 | -37.8 | 177.4 | -68.6 | -65.7 | 0 | 0 | 0 | 112.9 | V3 H4 R9 G11 | V3-F7 HydrophobicContact CG1-CD2 4.01Å; V3-F7 HydrophobicContact CG1-CE2 3.48Å; V3-F7 VanDerWaalsContact CG1-CE2 3.48Å; V3-F7 WeakPolarHBondContact O-CD2 3.11Å; V3-F7 PolarHBondContact O-N 2.73Å; H4-F7 PolarHBondContact O-N 3.14Å; F7-R9 VanDerWaalsContact C-N 3.32Å; F7-R9 PolarHBondContact O-N 3.48Å; F7-G11 PolarHBondContact O-N 3.3Å |
| 8 | R | 81.7 | Confident | 77.7 | Confident | 197 Ų | 197 | 109.7 Ų | 109.7 | 74% | 0.743 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -58.1 | -45 | 173.3 | -76.4 | -86.5 | 166.2 | -158.5 | -4.1 | 111.3 | H4 A12 | H4-R8 WeakPolarHBondContact O-CB 3.34Å; H4-R8 WeakPolarHBondContact O-CG 3.23Å; H4-R8 PolarHBondContact O-N 3.01Å; R8-A12 WeakPolarHBondContact O-CB 3.45Å; R8-A12 PolarHBondContact O-N 3.18Å |
| 9 | R | 79.4 | Confident | 78.1 | Confident | 157 Ų | 157 | 115.6 Ų | 115.6 | 59% | 0.592 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -76 | -40.2 | -180 | -70.6 | 174.6 | 71.5 | -160.5 | 0.6 | 113.2 | M1 D5 L6 F7 G11 A12 | M1-R9 PolarHBondContact SD-NH1 3.36Å; M1-R9 VanDerWaalsContact SD-NH1 3.36Å; D5-R9 WeakPolarHBondContact O-CB 3.06Å; D5-R9 VanDerWaalsContact O-CG 3.26Å; D5-R9 WeakPolarHBondContact O-CG 3.25Å; D5-R9 PolarHBondContact O-N 3.19Å; L6-R9 PolarHBondContact O-N 3.16Å; F7-R9 VanDerWaalsContact C-N 3.32Å; F7-R9 PolarHBondContact O-N 3.48Å; R9-G11 VanDerWaalsContact C-N 3.3Å; R9-G11 PolarHBondContact O-N 3.14Å; R9-A12 WeakPolarHBondContact O-CB 3.21Å; R9-A12 PolarHBondContact O-N 3.29Å |
| 10 | L | 76.7 | Confident | 78.7 | Confident | 128 Ų | 128 | 119.9 Ų | 119.9 | 67% | 0.67 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -66.2 | -33.9 | 177.2 | -72 | 174.5 | 0 | 0 | 0 | 112.1 | L6 | L6-L10 HydrophobicContact CD1-CD1 3.92Å; L6-L10 HydrophobicContact CD1-CG 4.01Å; L6-L10 HydrophobicContact CD2-CD1 4.43Å; L6-L10 HydrophobicContact CG-CD1 3.74Å; L6-L10 HydrophobicContact CG-CG 4.25Å; L6-L10 VanDerWaalsContact O-CB 3.32Å; L6-L10 WeakPolarHBondContact O-CB 3.4Å; L6-L10 WeakPolarHBondContact O-CG 3.36Å; L6-L10 PolarHBondContact O-N 3.22Å |
| 11 | G | 71.3 | Confident | 79.2 | Confident | 41 Ų | 41 | 119 Ų | 119 | 42% | 0.423 | 60% | 0.598 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -88.3 | -5.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | F7 R9 G13 A14 | F7-G11 PolarHBondContact O-N 3.3Å; R9-G11 VanDerWaalsContact C-N 3.3Å; R9-G11 PolarHBondContact O-N 3.14Å; G11-G13 PolarHBondContact O-N 2.97Å; G11-A14 WeakPolarHBondContact O-CB 3.26Å; G11-A14 PolarHBondContact O-N 3.16Å; G11-A14 VanDerWaalsContact O-N 3.14Å |
| 12 | A | 74.7 | Confident | 80.5 | Confident | 73 Ų | 73 | 114.3 Ų | 114.3 | 60% | 0.603 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.9 | 119.4 | -177.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | R8 R9 A14 | R8-A12 WeakPolarHBondContact O-CB 3.45Å; R8-A12 PolarHBondContact O-N 3.18Å; R9-A12 WeakPolarHBondContact O-CB 3.21Å; R9-A12 PolarHBondContact O-N 3.29Å; A12-A14 VanDerWaalsContact C-N 3.33Å |
| 13 | G | 69.3 | Low | 80.5 | Confident | 76 Ų | 76 | 113 Ų | 113 | 78% | 0.784 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 84.1 | -1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | G11 K15 | G11-G13 PolarHBondContact O-N 2.97Å; G13-K15 PolarHBondContact O-N 3.28Å; G13-K15 VanDerWaalsContact O-N 3.16Å |
| 14 | A | 79.4 | Confident | 81 | Confident | 81 Ų | 81 | 111.3 Ų | 111.3 | 67% | 0.669 | 57% | 0.573 | S | S | * | * | trans | -65.5 | 114.3 | 168.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | G11 A12 F16 | G11-A14 WeakPolarHBondContact O-CB 3.26Å; G11-A14 PolarHBondContact O-N 3.16Å; G11-A14 VanDerWaalsContact O-N 3.14Å; A12-A14 VanDerWaalsContact C-N 3.33Å; A14-F16 PolarHBondContact O-N 2.98Å | ||
| 15 | K | 76.2 | Confident | 81.5 | Confident | 201 Ų | 201 | 105.1 Ų | 105.1 | 87% | 0.874 | 55% | 0.546 | S | S | * | . | trans | -87.9 | 111.4 | 178.6 | -59.5 | -175.9 | 79.3 | 170.3 | 0 | 108.5 | G13 D17 | G13-K15 PolarHBondContact O-N 3.28Å; G13-K15 VanDerWaalsContact O-N 3.16Å; K15-D17 PolarHBondContact O-N 2.73Å | ||
| 16 | F | 75.4 | Confident | 81.5 | Confident | 93 Ų | 93 | 104.8 Ų | 104.8 | 41% | 0.408 | 55% | 0.554 | S | S | . | * | trans | -68.6 | 117.8 | 173.1 | -172.5 | -99.8 | 0 | 0 | 0 | 109.6 | A14 T18 F21 D24 A25 I30 | A14-F16 PolarHBondContact O-N 2.98Å; F16-T18 HydrophobicContact CD1-CG2 3.88Å; F16-T18 HydrophobicContact CE1-CG2 4.25Å; F16-T18 PolarHBondContact O-N 3.14Å; F16-F21 HydrophobicContact CE1-CB 3.97Å; F16-F21 HydrophobicContact CE2-CB 3.9Å; F16-F21 HydrophobicContact CE2-CD2 4.29Å; F16-F21 HydrophobicContact CE2-CG 4.17Å; F16-F21 HydrophobicContact CZ-CB 3.37Å; F16-F21 HydrophobicContact CZ-CG 4.14Å; F16-D24 HydrophobicContact CZ-CB 4.25Å; F16-A25 HydrophobicContact CE1-CB 3.98Å; F16-I30 HydrophobicContact CD1-CD1 4.5Å; F16-I30 HydrophobicContact CE1-CD1 4.43Å | ||
| 17 | D | 84.3 | Confident | 81.8 | Confident | 57 Ų | 57 | 109.2 Ų | 109.2 | 31% | 0.305 | 57% | 0.565 | S | S | . | * | trans | -82.6 | 95.2 | 177.5 | -173 | -15 | 0 | 0 | 0 | 109.9 | K15 R19 R20 F21 | K15-D17 PolarHBondContact O-N 2.73Å; D17-R19 PolarHBondContact O-N 3.25Å; D17-R19 VanDerWaalsContact O-N 3.16Å; D17-R19 WeakPolarHBondContact OD1-CB 3.45Å; D17-R19 PolarHBondContact OD1-N 3.01Å; D17-R20 HydrophobicContact CB-CB 4.14Å; D17-R20 HydrophobicContact CB-CG 4.36Å; D17-R20 PolarHBondContact O-N 3.47Å; D17-R20 PolarHBondContact OD1-N 2.79Å; D17-R20 WeakPolarHBondContact OD2-CD 3.36Å; D17-R20 VanDerWaalsContact OD2-CG 3.23Å; D17-R20 WeakPolarHBondContact OD2-CG 3.47Å; D17-R20 IonicContact OD2-NE 3.36Å; D17-R20 PolarHBondContact OD2-NE 3.03Å; D17-F21 HydrophobicContact CB-CD2 4.5Å; D17-F21 WeakPolarHBondContact O-CD2 3.34Å; D17-F21 PolarHBondContact O-N 2.99Å | ||
| 18 | T | 82 | Confident | 82 | Confident | 67 Ų | 67 | 109 Ų | 109 | 41% | 0.411 | 56% | 0.564 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -62.6 | -19.7 | -179.9 | 53.6 | 0 | 0 | 0 | 0 | 113.6 | F16 S22 A25 I30 | F16-T18 HydrophobicContact CD1-CG2 3.88Å; F16-T18 HydrophobicContact CE1-CG2 4.25Å; F16-T18 PolarHBondContact O-N 3.14Å; T18-S22 VanDerWaalsContact O-CA 3.26Å; T18-S22 WeakPolarHBondContact O-CA 3.33Å; T18-S22 PolarHBondContact O-N 2.65Å; T18-A25 HydrophobicContact CG2-CB 4.4Å; T18-I30 HydrophobicContact CG2-CG2 4.25Å |
| 19 | R | 85.9 | Confident | 81.8 | Confident | 223 Ų | 223 | 105.7 Ų | 105.7 | 84% | 0.842 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.9 | -39.3 | 177.2 | -61.8 | 177.3 | 62.6 | -170.9 | -1 | 111.2 | D17 | D17-R19 PolarHBondContact O-N 3.25Å; D17-R19 VanDerWaalsContact O-N 3.16Å; D17-R19 WeakPolarHBondContact OD1-CB 3.45Å; D17-R19 PolarHBondContact OD1-N 3.01Å |
| 20 | R | 90.1 | Very high | 81.5 | Confident | 201 Ų | 201 | 102 Ų | 102 | 76% | 0.758 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76 | -35.9 | 177.6 | -72.7 | 179.7 | 179.4 | -172.5 | -2.6 | 112.3 | D17 | D17-R20 HydrophobicContact CB-CB 4.14Å; D17-R20 HydrophobicContact CB-CG 4.36Å; D17-R20 PolarHBondContact O-N 3.47Å; D17-R20 PolarHBondContact OD1-N 2.79Å; D17-R20 WeakPolarHBondContact OD2-CD 3.36Å; D17-R20 VanDerWaalsContact OD2-CG 3.23Å; D17-R20 WeakPolarHBondContact OD2-CG 3.47Å; D17-R20 IonicContact OD2-NE 3.36Å; D17-R20 PolarHBondContact OD2-NE 3.03Å |
| 21 | F | 88.3 | Confident | 81.2 | Confident | 101 Ų | 101 | 98.6 Ų | 98.6 | 44% | 0.443 | 54% | 0.544 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.9 | 44.8 | -176.8 | -59.5 | -79 | 0 | 0 | 0 | 111.5 | F16 D17 A23 D24 A25 | F16-F21 HydrophobicContact CE1-CB 3.97Å; F16-F21 HydrophobicContact CE2-CB 3.9Å; F16-F21 HydrophobicContact CE2-CD2 4.29Å; F16-F21 HydrophobicContact CE2-CG 4.17Å; F16-F21 HydrophobicContact CZ-CB 3.37Å; F16-F21 HydrophobicContact CZ-CG 4.14Å; D17-F21 HydrophobicContact CB-CD2 4.5Å; D17-F21 WeakPolarHBondContact O-CD2 3.34Å; D17-F21 PolarHBondContact O-N 2.99Å; F21-A23 VanDerWaalsContact C-N 3.31Å; F21-A23 PolarHBondContact O-N 3.33Å; F21-D24 HydrophobicContact CB-CB 4.43Å; F21-D24 PolarHBondContact O-N 3.09Å; F21-A25 WeakPolarHBondContact O-CB 3.31Å; F21-A25 PolarHBondContact O-N 3.01Å |
| 22 | S | 87.8 | Confident | 80.9 | Confident | 76 Ų | 76 | 107 Ų | 107 | 53% | 0.531 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -61.4 | -37.8 | -175.5 | 57.7 | 0 | 0 | 0 | 0 | 113.1 | T18 A25 A26 | T18-S22 VanDerWaalsContact O-CA 3.26Å; T18-S22 WeakPolarHBondContact O-CA 3.33Å; T18-S22 PolarHBondContact O-N 2.65Å; S22-A25 WeakPolarHBondContact O-CB 3.35Å; S22-A25 PolarHBondContact O-N 3.46Å; S22-A26 PolarHBondContact O-N 3.17Å |
| 23 | A | 88.9 | Confident | 80.3 | Confident | 68 Ų | 68 | 111.4 Ų | 111.4 | 56% | 0.562 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -62 | -47.3 | 176 | 0 | 0 | 0 | 0 | 0 | 111.7 | F21 A26 R27 | F21-A23 VanDerWaalsContact C-N 3.31Å; F21-A23 PolarHBondContact O-N 3.33Å; A23-A26 PolarHBondContact O-N 3.03Å; A23-R27 WeakPolarHBondContact O-CG 3.45Å; A23-R27 PolarHBondContact O-N 2.81Å; A23-R27 VanDerWaalsContact O-N 3.14Å |
| 24 | D | 89.7 | Confident | 79.9 | Confident | 53 Ų | 53 | 116 Ų | 116 | 28% | 0.283 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -70.7 | -35.3 | 177.3 | -68.8 | -30.7 | 0 | 0 | 0 | 111.8 | F16 F21 A26 R27 F28 | F16-D24 HydrophobicContact CZ-CB 4.25Å; F21-D24 HydrophobicContact CB-CB 4.43Å; F21-D24 PolarHBondContact O-N 3.09Å; D24-A26 VanDerWaalsContact C-N 3.26Å; D24-A26 PolarHBondContact O-N 3.36Å; D24-R27 WeakPolarHBondContact O-CB 3.49Å; D24-R27 PolarHBondContact O-N 3.2Å; D24-R27 VanDerWaalsContact O-N 3.13Å; D24-R27 IonicContact OD1-CZ 3.89Å; D24-R27 IonicContact OD1-NH1 2.93Å; D24-R27 PolarHBondContact OD1-NH1 3.29Å; D24-F28 HydrophobicContact CB-CD2 4.26Å; D24-F28 HydrophobicContact CB-CE2 4.17Å; D24-F28 WeakPolarHBondContact O-CD2 3.46Å; D24-F28 PolarHBondContact O-N 3.47Å |
| 25 | A | 85.7 | Confident | 78.7 | Confident | 8 Ų | 8 | 122.3 Ų | 122.3 | 7% | 0.066 | 58% | 0.576 | C | S | . | * | H | α-helix | trans | -57 | -41.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | F16 T18 F21 S22 Q29 I30 | F16-A25 HydrophobicContact CE1-CB 3.98Å; T18-A25 HydrophobicContact CG2-CB 4.4Å; F21-A25 WeakPolarHBondContact O-CB 3.31Å; F21-A25 PolarHBondContact O-N 3.01Å; S22-A25 WeakPolarHBondContact O-CB 3.35Å; S22-A25 PolarHBondContact O-N 3.46Å; A25-Q29 CarbonylContact O-C 3.52Å; A25-Q29 WeakPolarHBondContact O-CA 3.2Å; A25-Q29 PolarHBondContact O-N 2.8Å; A25-I30 PolarHBondContact O-N 2.99Å |
| 26 | A | 84.9 | Confident | 77.7 | Confident | 73 Ų | 73 | 119.2 Ų | 119.2 | 60% | 0.603 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -65.9 | -42 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | S22 A23 D24 F28 Q29 | S22-A26 PolarHBondContact O-N 3.17Å; A23-A26 PolarHBondContact O-N 3.03Å; D24-A26 VanDerWaalsContact C-N 3.26Å; D24-A26 PolarHBondContact O-N 3.36Å; A26-F28 PolarHBondContact O-N 2.95Å; A26-Q29 PolarHBondContact O-N 3.36Å; A26-Q29 VanDerWaalsContact O-N 3.12Å |
| 27 | R | 87.6 | Confident | 76.8 | Confident | 182 Ų | 182 | 121.5 Ų | 121.5 | 69% | 0.687 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -61.5 | -44 | 177.7 | -68.1 | 169.7 | 67.2 | -168.6 | 9.5 | 112.4 | A23 D24 Q29 | A23-R27 WeakPolarHBondContact O-CG 3.45Å; A23-R27 PolarHBondContact O-N 2.81Å; A23-R27 VanDerWaalsContact O-N 3.14Å; D24-R27 WeakPolarHBondContact O-CB 3.49Å; D24-R27 PolarHBondContact O-N 3.2Å; D24-R27 VanDerWaalsContact O-N 3.13Å; D24-R27 IonicContact OD1-CZ 3.89Å; D24-R27 IonicContact OD1-NH1 2.93Å; D24-R27 PolarHBondContact OD1-NH1 3.29Å; R27-Q29 VanDerWaalsContact C-N 3.27Å |
| 28 | F | 82.8 | Confident | 75.5 | Confident | 134 Ų | 134 | 123.5 Ų | 123.5 | 59% | 0.588 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.2 | -0.5 | 177.3 | -62.8 | -62 | 0 | 0 | 0 | 113.2 | D24 A26 I30 | D24-F28 HydrophobicContact CB-CD2 4.26Å; D24-F28 HydrophobicContact CB-CE2 4.17Å; D24-F28 WeakPolarHBondContact O-CD2 3.46Å; D24-F28 PolarHBondContact O-N 3.47Å; A26-F28 PolarHBondContact O-N 2.95Å; F28-I30 HydrophobicContact CB-CD1 3.48Å; F28-I30 VanDerWaalsContact CB-CD1 3.48Å; F28-I30 HydrophobicContact CB-CG1 3.56Å; F28-I30 HydrophobicContact CD2-CD1 4.28Å; F28-I30 HydrophobicContact CG-CD1 4.17Å; F28-I30 PolarHBondContact O-N 3.38Å |
| 29 | Q | 78.2 | Confident | 74.4 | Confident | 126 Ų | 126 | 123.4 Ų | 123.4 | 59% | 0.589 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 53.6 | 33.8 | -176.6 | -54.4 | 170.8 | 37.5 | 0 | 0 | 112.5 | A25 A26 R27 G31 | A25-Q29 CarbonylContact O-C 3.52Å; A25-Q29 WeakPolarHBondContact O-CA 3.2Å; A25-Q29 PolarHBondContact O-N 2.8Å; A26-Q29 PolarHBondContact O-N 3.36Å; A26-Q29 VanDerWaalsContact O-N 3.12Å; R27-Q29 VanDerWaalsContact C-N 3.27Å; Q29-G31 PolarHBondContact O-N 3.26Å; Q29-G31 VanDerWaalsContact O-N 3.14Å |
| 30 | I | 72.2 | Confident | 73.2 | Confident | 79 Ų | 79 | 115.7 Ų | 115.7 | 41% | 0.405 | 57% | 0.573 | S | S | . | * | trans | -82.7 | 85.8 | 176.9 | -57.8 | 169.2 | 0 | 0 | 0 | 107.3 | F16 T18 A25 F28 | F16-I30 HydrophobicContact CD1-CD1 4.5Å; F16-I30 HydrophobicContact CE1-CD1 4.43Å; T18-I30 HydrophobicContact CG2-CG2 4.25Å; A25-I30 PolarHBondContact O-N 2.99Å; F28-I30 HydrophobicContact CB-CD1 3.48Å; F28-I30 VanDerWaalsContact CB-CD1 3.48Å; F28-I30 HydrophobicContact CB-CG1 3.56Å; F28-I30 HydrophobicContact CD2-CD1 4.28Å; F28-I30 HydrophobicContact CG-CD1 4.17Å; F28-I30 PolarHBondContact O-N 3.38Å | ||
| 31 | G | 70.8 | Confident | 71.8 | Confident | 58 Ų | 58 | 112.6 Ų | 112.6 | 60% | 0.598 | 57% | 0.567 | S | S | * | * | S | Bend | trans | -168.6 | -179.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | Q29 R33 | Q29-G31 PolarHBondContact O-N 3.26Å; Q29-G31 VanDerWaalsContact O-N 3.14Å; G31-R33 PolarHBondContact O-N 3.17Å |
| 32 | K | 65.4 | Low | 70.5 | Confident | 217 Ų | 217 | 111.6 Ų | 111.6 | 94% | 0.943 | 57% | 0.569 | S | S | * | * | trans | -67.6 | 74.3 | 171.9 | -66.9 | -123.6 | -176.1 | -173.4 | 0 | 109.4 | K34 | K32-K34 PolarHBondContact O-N 3.12Š| ||
| 33 | R | 62.4 | Low | 69.3 | Low | 166 Ų | 166 | 113.2 Ų | 113.2 | 63% | 0.626 | 57% | 0.571 | S | S | * | * | trans | -56 | 129.8 | 154.4 | -71.6 | -169 | -73.3 | 146.8 | 0 | 105.5 | G31 Y35 | G31-R33 PolarHBondContact O-N 3.17Å; R33-Y35 PolarHBondContact O-N 2.82Å; R33-Y35 VanDerWaalsContact O-N 3.08Å | ||
| 34 | K | 60.9 | Low | 68.1 | Low | 172 Ų | 172 | 116.5 Ų | 116.5 | 75% | 0.748 | 58% | 0.575 | S | S | * | * | trans | -51.8 | 121.4 | 165.5 | -65.5 | -72.6 | -178.5 | 166.3 | 0 | 105 | K32 D36 | K32-K34 PolarHBondContact O-N 3.12Å; K34-D36 HydrophobicContact CB-CB 4.47Å; K34-D36 PolarHBondContact O-N 2.92Å | ||
| 35 | Y | 52.5 | Low | 67 | Low | 213 Ų | 213 | 117.5 Ų | 117.5 | 84% | 0.835 | 60% | 0.597 | S | S | * | * | S | Bend | trans | -72.5 | 54.3 | 179 | -174.2 | -94.7 | 0 | 0 | 0 | 108.1 | R33 | R33-Y35 PolarHBondContact O-N 2.82Å; R33-Y35 VanDerWaalsContact O-N 3.08Å |
| 36 | D | 55.3 | Low | 66.4 | Low | 137 Ų | 137 | 121.8 Ų | 121.8 | 73% | 0.733 | 62% | 0.618 | S | S | * | * | trans | -128.3 | 18.9 | -178.4 | -59.1 | -43 | 0 | 0 | 0 | 109 | K34 D38 | K34-D36 HydrophobicContact CB-CB 4.47Å; K34-D36 PolarHBondContact O-N 2.92Å; D36-D38 VanDerWaalsContact C-N 3.34Å; D36-D38 PolarHBondContact O-N 3.49Å | ||
| 37 | F | 56.4 | Low | 66 | Low | 141 Ų | 141 | 121 Ų | 121 | 62% | 0.618 | 60% | 0.604 | S | S | * | * | S | Bend | trans | -79.8 | 100.2 | 157.6 | -160.9 | -108.3 | 0 | 0 | 0 | 104.3 | S39 V42 | F37-S39 PolarHBondContact O-N 3.33Å; F37-V42 HydrophobicContact CD1-CG2 4.06Å; F37-V42 HydrophobicContact CE1-CB 3.7Å; F37-V42 HydrophobicContact CE1-CG1 4.03Å; F37-V42 HydrophobicContact CE1-CG2 3.05Å; F37-V42 HydrophobicContact CE2-CG2 4.36Å; F37-V42 HydrophobicContact CZ-CB 4.33Å; F37-V42 HydrophobicContact CZ-CG2 3.25Å |
| 38 | D | 57.7 | Low | 65.6 | Low | 99 Ų | 99 | 120.1 Ų | 120.1 | 53% | 0.529 | 61% | 0.606 | S | S | . | * | trans | -55.4 | 88.1 | 177.9 | -144.8 | -32.9 | 0 | 0 | 0 | 107.8 | D36 S40 E41 | D36-D38 VanDerWaalsContact C-N 3.34Å; D36-D38 PolarHBondContact O-N 3.49Å; D38-S40 PolarHBondContact O-N 3.4Å; D38-S40 PolarHBondContact OD1-OG 3.31Å; D38-E41 HydrophobicContact CB-CG 4.41Å; D38-E41 PolarHBondContact O-N 3.21Å | ||
| 39 | S | 58.9 | Low | 65.4 | Low | 64 Ų | 64 | 122.9 Ų | 122.9 | 45% | 0.448 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -59.8 | -20.2 | -173.1 | 56.9 | 0 | 0 | 0 | 0 | 110.6 | F37 L43 | F37-S39 PolarHBondContact O-N 3.33Å; S39-L43 WeakPolarHBondContact O-CB 3.32Å; S39-L43 WeakPolarHBondContact O-CD1 3.21Å; S39-L43 WeakPolarHBondContact O-CG 3.28Å; S39-L43 PolarHBondContact O-N 3.37Å |
| 40 | S | 60.3 | Low | 65.2 | Low | 62 Ų | 62 | 119.9 Ų | 119.9 | 43% | 0.434 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -57.9 | -51 | 171.6 | 76.2 | 0 | 0 | 0 | 0 | 112.1 | D38 V42 L43 Q44 | D38-S40 PolarHBondContact O-N 3.4Å; D38-S40 PolarHBondContact OD1-OG 3.31Å; S40-V42 PolarHBondContact O-N 2.72Å; S40-L43 PolarHBondContact O-N 3.34Å; S40-Q44 VanDerWaalsContact O-CB 3.25Å; S40-Q44 WeakPolarHBondContact O-CB 3.47Å; S40-Q44 PolarHBondContact O-N 3.21Å |
| 41 | E | 61.3 | Low | 65.1 | Low | 135 Ų | 135 | 123.2 Ų | 123.2 | 63% | 0.631 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -67 | -40.4 | -175.2 | -68.2 | -170.7 | 167.4 | 0 | 0 | 112.1 | D38 Q44 G45 | D38-E41 HydrophobicContact CB-CG 4.41Å; D38-E41 PolarHBondContact O-N 3.21Å; E41-Q44 WeakPolarHBondContact O-CB 3.09Å; E41-Q44 PolarHBondContact O-N 2.93Å; E41-G45 PolarHBondContact O-N 3.02Å |
| 42 | V | 61.6 | Low | 65.1 | Low | 80 Ų | 80 | 125.2 Ų | 125.2 | 49% | 0.485 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -73.7 | -33.2 | 178.7 | 172.4 | 0 | 0 | 0 | 0 | 112.8 | F37 S40 Q44 | F37-V42 HydrophobicContact CD1-CG2 4.06Å; F37-V42 HydrophobicContact CE1-CB 3.7Å; F37-V42 HydrophobicContact CE1-CG1 4.03Å; F37-V42 HydrophobicContact CE1-CG2 3.05Å; F37-V42 HydrophobicContact CE2-CG2 4.36Å; F37-V42 HydrophobicContact CZ-CB 4.33Å; F37-V42 HydrophobicContact CZ-CG2 3.25Å; S40-V42 PolarHBondContact O-N 2.72Å; V42-Q44 VanDerWaalsContact C-N 3.3Å |
| 43 | L | 62.7 | Low | 65.2 | Low | 110 Ų | 110 | 124.5 Ų | 124.5 | 58% | 0.576 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -75.2 | -23.5 | 170.4 | -65.7 | 172.5 | 0 | 0 | 0 | 111.8 | S39 S40 L46 | S39-L43 WeakPolarHBondContact O-CB 3.32Å; S39-L43 WeakPolarHBondContact O-CD1 3.21Å; S39-L43 WeakPolarHBondContact O-CG 3.28Å; S39-L43 PolarHBondContact O-N 3.37Å; S40-L43 PolarHBondContact O-N 3.34Å; L43-L46 PolarHBondContact O-N 3.06Å |
| 44 | Q | 63.6 | Low | 65 | Low | 138 Ų | 138 | 121.9 Ų | 121.9 | 65% | 0.645 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -70.9 | -34.3 | 177.3 | -148.3 | 170.3 | 53.9 | 0 | 0 | 111.8 | S40 E41 V42 L46 K52 | S40-Q44 VanDerWaalsContact O-CB 3.25Å; S40-Q44 WeakPolarHBondContact O-CB 3.47Å; S40-Q44 PolarHBondContact O-N 3.21Å; E41-Q44 WeakPolarHBondContact O-CB 3.09Å; E41-Q44 PolarHBondContact O-N 2.93Å; V42-Q44 VanDerWaalsContact C-N 3.3Å; Q44-L46 VanDerWaalsContact C-N 3.32Å; Q44-K52 VanDerWaalsContact O-CE 3.31Å; Q44-K52 WeakPolarHBondContact O-CE 3.27Å; Q44-K52 PolarHBondContact O-NZ 3.13Å |
| 45 | G | 66.4 | Low | 65 | Low | 73 Ų | 73 | 119.8 Ų | 119.8 | 75% | 0.753 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -76.2 | -13.4 | 173 | 0 | 0 | 0 | 0 | 0 | 115 | E41 D47 | E41-G45 PolarHBondContact O-N 3.02Å; G45-D47 PolarHBondContact O-N 3.42Å |
| 46 | L | 73.4 | Confident | 65.2 | Low | 98 Ų | 98 | 116 Ų | 116 | 51% | 0.513 | 64% | 0.638 | S | S | . | * | trans | -99.8 | 75.6 | -176.9 | -160.1 | 67 | 0 | 0 | 0 | 110.8 | L43 Q44 F48 | L43-L46 PolarHBondContact O-N 3.06Å; Q44-L46 VanDerWaalsContact C-N 3.32Å; L46-F48 HydrophobicContact CD1-CE1 4.13Å; L46-F48 HydrophobicContact CD1-CE2 3.68Å; L46-F48 HydrophobicContact CD1-CZ 3.42Å; L46-F48 VanDerWaalsContact CD1-CZ 3.42Å; L46-F48 HydrophobicContact CD2-CE2 3.65Å; L46-F48 HydrophobicContact CD2-CZ 4.03Å; L46-F48 HydrophobicContact CG-CD2 4.13Å; L46-F48 HydrophobicContact CG-CE2 3.37Å; L46-F48 HydrophobicContact CG-CZ 3.71Å | ||
| 47 | D | 75.4 | Confident | 65.1 | Low | 58 Ų | 58 | 112.3 Ų | 112.3 | 31% | 0.31 | 63% | 0.632 | S | S | . | * | trans | -109.8 | 100.7 | 171.2 | -166.3 | -2.2 | 0 | 0 | 0 | 110.8 | G45 F49 G50 N51 K52 | G45-D47 PolarHBondContact O-N 3.42Å; D47-F49 VanDerWaalsContact C-N 3.31Å; D47-F49 PolarHBondContact OD1-N 3.23Å; D47-G50 PolarHBondContact OD1-N 2.94Å; D47-G50 VanDerWaalsContact OD2-CA 3.27Å; D47-G50 WeakPolarHBondContact OD2-CA 3.47Å; D47-G50 PolarHBondContact OD2-N 3.45Å; D47-N51 PolarHBondContact OD2-N 3.06Å; D47-K52 VanDerWaalsContact CB-CE 3.41Å; D47-K52 WeakPolarHBondContact OD2-CE 3.07Å; D47-K52 WeakPolarHBondContact OD2-CG 3.37Å; D47-K52 PolarHBondContact OD2-N 2.91Å | ||
| 48 | F | 78.4 | Confident | 64.8 | Low | 162 Ų | 162 | 112.1 Ų | 112.1 | 71% | 0.711 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -78.1 | -18.7 | 176.3 | -63.3 | -78.4 | 0 | 0 | 0 | 113 | L46 | L46-F48 HydrophobicContact CD1-CE1 4.13Å; L46-F48 HydrophobicContact CD1-CE2 3.68Å; L46-F48 HydrophobicContact CD1-CZ 3.42Å; L46-F48 VanDerWaalsContact CD1-CZ 3.42Å; L46-F48 HydrophobicContact CD2-CE2 3.65Å; L46-F48 HydrophobicContact CD2-CZ 4.03Å; L46-F48 HydrophobicContact CG-CD2 4.13Å; L46-F48 HydrophobicContact CG-CE2 3.37Å; L46-F48 HydrophobicContact CG-CZ 3.71Å |
| 49 | F | 79.9 | Confident | 64.6 | Low | 193 Ų | 193 | 113.6 Ų | 113.6 | 85% | 0.846 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -112.9 | -1 | -172.5 | -63.7 | -77.4 | 0 | 0 | 0 | 113.1 | D47 N51 | D47-F49 VanDerWaalsContact C-N 3.31Å; D47-F49 PolarHBondContact OD1-N 3.23Å; F49-N51 VanDerWaalsContact C-N 3.34Å; F49-N51 PolarHBondContact O-N 3.28Å |
| 50 | G | 74.4 | Confident | 64 | Low | 62 Ų | 62 | 113.4 Ų | 113.4 | 64% | 0.639 | 67% | 0.668 | S | S | * | * | trans | 63 | 30.3 | 168 | 0 | 0 | 0 | 0 | 0 | 115.1 | D47 | D47-G50 PolarHBondContact OD1-N 2.94Å; D47-G50 VanDerWaalsContact OD2-CA 3.27Å; D47-G50 WeakPolarHBondContact OD2-CA 3.47Å; D47-G50 PolarHBondContact OD2-N 3.45Å | ||
| 51 | N | 69.2 | Low | 63.6 | Low | 149 Ų | 149 | 114.4 Ų | 114.4 | 80% | 0.797 | 68% | 0.679 | S | S | * | * | trans | -84.3 | -20.7 | -171 | -171.1 | 9.3 | 0 | 0 | 0 | 113.3 | D47 F49 | D47-N51 PolarHBondContact OD2-N 3.06Å; F49-N51 VanDerWaalsContact C-N 3.34Å; F49-N51 PolarHBondContact O-N 3.28Å | ||
| 52 | K | 71.5 | Confident | 63 | Low | 101 Ų | 101 | 112.9 Ų | 112.9 | 44% | 0.439 | 68% | 0.684 | S | S | . | * | S | Bend | trans | -93.4 | 132.6 | -177.7 | 50 | -170.7 | 155.9 | -172.5 | 0 | 112.7 | Q44 D47 S54 | Q44-K52 VanDerWaalsContact O-CE 3.31Å; Q44-K52 WeakPolarHBondContact O-CE 3.27Å; Q44-K52 PolarHBondContact O-NZ 3.13Å; D47-K52 VanDerWaalsContact CB-CE 3.41Å; D47-K52 WeakPolarHBondContact OD2-CE 3.07Å; D47-K52 WeakPolarHBondContact OD2-CG 3.37Å; D47-K52 PolarHBondContact OD2-N 2.91Å; K52-S54 PolarHBondContact O-N 2.93Å; K52-S54 VanDerWaalsContact O-N 3.14Å |
| 53 | K | 67.7 | Low | 62.5 | Low | 202 Ų | 202 | 116.6 Ų | 116.6 | 88% | 0.878 | 70% | 0.696 | S | S | * | * | trans | -65.1 | 106 | 174.1 | -41 | 171.2 | -169.8 | -173.8 | 0 | 107.6 | V55 | K53-V55 PolarHBondContact O-N 3.34Š| ||
| 54 | S | 57.7 | Low | 61.4 | Low | 111 Ų | 111 | 116.6 Ų | 116.6 | 78% | 0.776 | 70% | 0.701 | S | S | * | * | trans | -62.2 | 125.6 | -177.4 | 61.4 | 0 | 0 | 0 | 0 | 111 | K52 | K52-S54 PolarHBondContact O-N 2.93Å; K52-S54 VanDerWaalsContact O-N 3.14Å | ||
| 55 | V | 61.2 | Low | 60.8 | Low | 127 Ų | 127 | 117.5 Ų | 117.5 | 77% | 0.77 | 71% | 0.705 | S | S | * | * | trans | -75.5 | 132.4 | 161.7 | 179.5 | 0 | 0 | 0 | 0 | 107 | K53 G57 | K53-V55 PolarHBondContact O-N 3.34Å; V55-G57 VanDerWaalsContact C-N 3.33Å; V55-G57 PolarHBondContact O-N 3.14Å | ||
| 56 | P | 57.2 | Low | 59.9 | Low | 133 Ų | 133 | 122.1 Ų | 122.1 | 86% | 0.864 | 71% | 0.706 | S | S | * | * | trans | -73.5 | 91.7 | 177.3 | 21 | -15.6 | 0 | 0 | 0 | 108.8 | ||||
| 57 | G | 52.5 | Low | 58.3 | Low | 60 Ų | 60 | 125.1 Ų | 125.1 | 62% | 0.619 | 72% | 0.715 | S | S | * | * | trans | -131.6 | 93.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | V55 | V55-G57 VanDerWaalsContact C-N 3.33Å; V55-G57 PolarHBondContact O-N 3.14Å | ||
| 58 | V | 49.8 | Very low | 56.7 | Low | 138 Ų | 138 | 128 Ų | 128 | 84% | 0.836 | 74% | 0.738 | S | S | * | * | trans | 47.5 | 96.6 | 160.9 | -173.4 | 0 | 0 | 0 | 0 | 115.6 | G60 | V58-G60 PolarHBondContact O-N 3.3Š| ||
| 59 | C | 53.1 | Low | 54.9 | Low | 129 Ų | 129 | 128.8 Ų | 128.8 | 87% | 0.872 | 74% | 0.743 | S | S | * | * | trans | -61.8 | 86.2 | 156.5 | -170.3 | 0 | 0 | 0 | 0 | 109.1 | A61 | C59-A61 VanDerWaalsContact C-N 3.27Å; C59-A61 PolarHBondContact O-N 3.33Å | ||
| 60 | G | 45.8 | Very low | 53.4 | Low | 61 Ų | 61 | 126.6 Ų | 126.6 | 63% | 0.629 | 74% | 0.74 | S | S | * | * | trans | -85.4 | 68.6 | 169.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | V58 S62 | V58-G60 PolarHBondContact O-N 3.3Å; G60-S62 VanDerWaalsContact C-N 3.26Å; G60-S62 PolarHBondContact O-N 2.87Å | ||
| 61 | A | 52.2 | Low | 51.8 | Low | 82 Ų | 82 | 126.4 Ų | 126.4 | 68% | 0.678 | 74% | 0.738 | S | S | * | * | trans | -71.7 | 81.8 | 169.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | C59 Q63 | C59-A61 VanDerWaalsContact C-N 3.27Å; C59-A61 PolarHBondContact O-N 3.33Å; A61-Q63 VanDerWaalsContact C-N 3.3Å; A61-Q63 PolarHBondContact O-N 3.04Å | ||
| 62 | S | 49.9 | Very low | 50.9 | Low | 104 Ų | 104 | 127.8 Ų | 127.8 | 73% | 0.727 | 74% | 0.74 | S | S | * | * | trans | -87.5 | 80.5 | 155.7 | 42.7 | 0 | 0 | 0 | 0 | 108.3 | G60 T64 | G60-S62 VanDerWaalsContact C-N 3.26Å; G60-S62 PolarHBondContact O-N 2.87Å; S62-T64 VanDerWaalsContact C-N 3.26Å; S62-T64 PolarHBondContact O-N 3.41Å | ||
| 63 | Q | 51.2 | Low | 49.8 | Very low | 157 Ų | 157 | 132.2 Ų | 132.2 | 73% | 0.734 | 76% | 0.76 | S | S | * | * | trans | -58.6 | 94 | 157.7 | -81.6 | -171.9 | -7.5 | 0 | 0 | 108.4 | A61 H65 | A61-Q63 VanDerWaalsContact C-N 3.3Å; A61-Q63 PolarHBondContact O-N 3.04Å; Q63-H65 PolarHBondContact O-N 3.14Å; Q63-H65 VanDerWaalsContact O-N 3.1Å; Q63-H65 PolarHBondContact OE1-CD2 2.95Å | ||
| 64 | T | 39.8 | Very low | 48.8 | Very low | 111 Ų | 111 | 132.5 Ų | 132.5 | 68% | 0.681 | 76% | 0.761 | S | S | * | * | trans | -82.7 | 81.5 | 159 | -33 | 0 | 0 | 0 | 0 | 107 | S62 Q66 | S62-T64 VanDerWaalsContact C-N 3.26Å; S62-T64 PolarHBondContact O-N 3.41Å; T64-Q66 HydrophobicContact CG2-CG 4.24Å; T64-Q66 PolarHBondContact O-N 2.93Å | ||
| 65 | H | 50.2 | Low | 48.1 | Very low | 157 Ų | 157 | 136.1 Ų | 136.1 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | trans | -60.4 | 85.2 | 161.9 | -104.3 | -83.1 | 0 | 0 | 0 | 108.5 | Q63 K67 | Q63-H65 PolarHBondContact O-N 3.14Å; Q63-H65 VanDerWaalsContact O-N 3.1Å; Q63-H65 PolarHBondContact OE1-CD2 2.95Å; H65-K67 VanDerWaalsContact C-N 3.27Å; H65-K67 PolarHBondContact O-N 2.89Å; H65-K67 VanDerWaalsContact O-N 3.08Å | ||
| 66 | Q | 47.9 | Very low | 47 | Very low | 169 Ų | 169 | 137 Ų | 137 | 79% | 0.79 | 76% | 0.761 | S | S | * | * | trans | -77.1 | 90.2 | 161 | -71.5 | -86.1 | -5.3 | 0 | 0 | 106.5 | T64 | T64-Q66 HydrophobicContact CG2-CG 4.24Å; T64-Q66 PolarHBondContact O-N 2.93Å | ||
| 67 | K | 39.8 | Very low | 46.6 | Very low | 161 Ų | 161 | 135.8 Ų | 135.8 | 70% | 0.7 | 76% | 0.756 | S | S | * | * | trans | -41.4 | 129.9 | 167.8 | -178.3 | 178 | -177.1 | 177.7 | 0 | 109.7 | H65 Q69 | H65-K67 VanDerWaalsContact C-N 3.27Å; H65-K67 PolarHBondContact O-N 2.89Å; H65-K67 VanDerWaalsContact O-N 3.08Å; K67-Q69 PolarHBondContact O-N 3.03Å | ||
| 68 | P | 41.1 | Very low | 46.2 | Very low | 120 Ų | 120 | 138.3 Ų | 138.3 | 78% | 0.779 | 75% | 0.754 | S | S | * | * | trans | -67.5 | 101.9 | 169 | 27.2 | -29.2 | 0 | 0 | 0 | 106.9 | N70 | P68-N70 PolarHBondContact O-N 2.83Š| ||
| 69 | Q | 40.1 | Very low | 46 | Very low | 177 Ų | 177 | 137.3 Ų | 137.3 | 83% | 0.827 | 75% | 0.749 | S | S | * | * | trans | -70.4 | 96.5 | 163.7 | -72.2 | -161.5 | -8.5 | 0 | 0 | 106.6 | K67 G71 | K67-Q69 PolarHBondContact O-N 3.03Å; Q69-G71 PolarHBondContact O-N 2.89Å | ||
| 70 | N | 48.3 | Very low | 45.5 | Very low | 147 Ų | 147 | 139.2 Ų | 139.2 | 79% | 0.786 | 75% | 0.745 | S | S | * | * | trans | -53.6 | 91.9 | 157.2 | -176.8 | 23 | 0 | 0 | 0 | 107.9 | P68 | P68-N70 PolarHBondContact O-N 2.83Š| ||
| 71 | G | 41.6 | Very low | 45.7 | Very low | 58 Ų | 58 | 146.2 Ų | 146.2 | 60% | 0.598 | 75% | 0.752 | S | S | * | * | trans | -117 | 95.2 | 166.9 | 0 | 0 | 0 | 0 | 0 | 106.2 | Q69 K73 | Q69-G71 PolarHBondContact O-N 2.89Å; G71-K73 VanDerWaalsContact C-N 3.33Å; G71-K73 PolarHBondContact O-N 2.93Å | ||
| 72 | E | 50.7 | Low | 45.4 | Very low | 179 Ų | 179 | 151.8 Ų | 151.8 | 84% | 0.836 | 76% | 0.761 | S | S | * | * | trans | -50.9 | 98 | 169.7 | -61.8 | 174.6 | 136.2 | 0 | 0 | 108.9 | ||||
| 73 | K | 47.1 | Very low | 45.7 | Very low | 194 Ų | 194 | 157.4 Ų | 157.4 | 84% | 0.843 | 77% | 0.767 | S | S | * | * | trans | -110.5 | 97.1 | 159.1 | -69.2 | -169.2 | -178 | -176.7 | 0 | 105.8 | G71 E75 | G71-K73 VanDerWaalsContact C-N 3.33Å; G71-K73 PolarHBondContact O-N 2.93Å; K73-E75 PolarHBondContact O-N 3.38Å | ||
| 74 | K | 48.3 | Very low | 45.6 | Very low | 208 Ų | 208 | 158.7 Ų | 158.7 | 90% | 0.904 | 77% | 0.773 | S | S | * | * | trans | -52.7 | 92.5 | 162.6 | -150.6 | -179.9 | -171.1 | -176.3 | 0 | 106.5 | E76 | K74-E76 PolarHBondContact O-N 3.4Š| ||
| 75 | E | 42.2 | Very low | 46.2 | Very low | 187 Ų | 187 | 161.2 Ų | 161.2 | 87% | 0.874 | 78% | 0.777 | S | S | * | * | trans | -76.8 | 90.2 | 170.2 | -167.7 | 174.4 | 175.1 | 0 | 0 | 105.8 | K73 S77 | K73-E75 PolarHBondContact O-N 3.38Å; E75-S77 PolarHBondContact O-N 2.89Å | ||
| 76 | E | 38.4 | Very low | 46.6 | Very low | 145 Ų | 145 | 159.3 Ų | 159.3 | 68% | 0.678 | 78% | 0.781 | S | S | * | * | trans | -54.5 | 111.4 | 169.5 | -163.6 | -177.3 | 174.1 | 0 | 0 | 107.9 | K74 L78 | K74-E76 PolarHBondContact O-N 3.4Å; E76-L78 HydrophobicContact CG-CD1 4.28Å; E76-L78 HydrophobicContact CG-CG 3.97Å; E76-L78 PolarHBondContact O-N 3.33Å | ||
| 77 | S | 48.3 | Very low | 47.2 | Very low | 107 Ų | 107 | 160.1 Ų | 160.1 | 75% | 0.748 | 78% | 0.782 | S | S | * | * | trans | -64.4 | 81.9 | 171.3 | 56.5 | 0 | 0 | 0 | 0 | 109.5 | E75 | E75-S77 PolarHBondContact O-N 2.89Š| ||
| 78 | L | 44.3 | Very low | 48.3 | Very low | 113 Ų | 113 | 161.2 Ų | 161.2 | 59% | 0.592 | 79% | 0.787 | S | S | * | * | trans | -106.5 | 73.5 | 164.7 | -67 | 178.4 | 0 | 0 | 0 | 108.5 | E76 E80 | E76-L78 HydrophobicContact CG-CD1 4.28Å; E76-L78 HydrophobicContact CG-CG 3.97Å; E76-L78 PolarHBondContact O-N 3.33Å; L78-E80 PolarHBondContact O-N 2.8Å | ||
| 79 | T | 44.8 | Very low | 49.5 | Very low | 118 Ų | 118 | 165.1 Ų | 165.1 | 72% | 0.724 | 79% | 0.791 | S | S | * | * | trans | -72.5 | 68.1 | 153.4 | 54.8 | 0 | 0 | 0 | 0 | 108.8 | R81 | T79-R81 VanDerWaalsContact C-N 3.32Å; T79-R81 PolarHBondContact O-N 3.23Å | ||
| 80 | E | 43.1 | Very low | 50.7 | Low | 169 Ų | 169 | 167.3 Ų | 167.3 | 79% | 0.79 | 79% | 0.792 | S | S | * | * | trans | -73.6 | 94.5 | 163.1 | -75.2 | -157.4 | 153.7 | 0 | 0 | 108 | L78 K82 | L78-E80 PolarHBondContact O-N 2.8Å; E80-K82 VanDerWaalsContact C-N 3.33Å; E80-K82 PolarHBondContact O-N 3.08Å | ||
| 81 | R | 50.1 | Low | 51.6 | Low | 207 Ų | 207 | 169.7 Ų | 169.7 | 78% | 0.781 | 80% | 0.795 | S | S | * | * | trans | -64.2 | 93 | 171.5 | -63.3 | 176.8 | -171.8 | 154.2 | 1.2 | 108.5 | T79 R83 | T79-R81 VanDerWaalsContact C-N 3.32Å; T79-R81 PolarHBondContact O-N 3.23Å; R81-R83 VanDerWaalsContact C-N 3.31Å; R81-R83 PolarHBondContact O-N 3.49Å | ||
| 82 | K | 45.8 | Very low | 52.3 | Low | 200 Ų | 200 | 173.1 Ų | 173.1 | 87% | 0.87 | 81% | 0.805 | S | S | * | * | trans | -70.3 | 92.4 | 164.2 | -128.4 | -160.8 | -178.2 | -169.6 | 0 | 108.7 | E80 E84 | E80-K82 VanDerWaalsContact C-N 3.33Å; E80-K82 PolarHBondContact O-N 3.08Å; K82-E84 PolarHBondContact O-N 3.1Å | ||
| 83 | R | 56.7 | Low | 52.4 | Low | 222 Ų | 222 | 172.1 Ų | 172.1 | 84% | 0.838 | 80% | 0.802 | S | S | * | * | trans | -69.3 | 93.8 | 164.9 | -77.8 | 179.7 | 174.3 | 163.5 | -2 | 107.9 | R81 Q85 | R81-R83 VanDerWaalsContact C-N 3.31Å; R81-R83 PolarHBondContact O-N 3.49Å; R83-Q85 PolarHBondContact O-N 3.07Å | ||
| 84 | E | 48.4 | Very low | 52.9 | Low | 184 Ų | 184 | 168.9 Ų | 168.9 | 86% | 0.86 | 80% | 0.798 | S | S | * | * | trans | -75.2 | 113.9 | 166.2 | -164.6 | 168.1 | -176.2 | 0 | 0 | 108.9 | K82 S86 | K82-E84 PolarHBondContact O-N 3.1Å; E84-S86 PolarHBondContact O-N 2.84Å; E84-S86 VanDerWaalsContact O-N 3.17Å | ||
| 85 | Q | 54 | Low | 53.4 | Low | 164 Ų | 164 | 163.4 Ų | 163.4 | 77% | 0.766 | 79% | 0.786 | S | S | * | * | trans | -68.8 | 103.4 | -179.5 | -69.1 | 175.5 | -9.1 | 0 | 0 | 110.2 | R83 K87 | R83-Q85 PolarHBondContact O-N 3.07Å; Q85-K87 PolarHBondContact O-N 2.84Å; Q85-K87 VanDerWaalsContact O-N 3.09Å | ||
| 86 | S | 57.3 | Low | 54 | Low | 116 Ų | 116 | 162 Ų | 162 | 81% | 0.811 | 79% | 0.785 | S | S | * | * | trans | -73.5 | 100.5 | 164.8 | 64.3 | 0 | 0 | 0 | 0 | 109.2 | E84 K88 | E84-S86 PolarHBondContact O-N 2.84Å; E84-S86 VanDerWaalsContact O-N 3.17Å; S86-K88 PolarHBondContact O-N 3.02Å | ||
| 87 | K | 60.5 | Low | 54.6 | Low | 186 Ų | 186 | 164.2 Ų | 164.2 | 81% | 0.809 | 79% | 0.792 | S | S | * | * | trans | -61.5 | 100.8 | 173.8 | -67 | 178.4 | -179.6 | 176.6 | 0 | 110.1 | Q85 K89 | Q85-K87 PolarHBondContact O-N 2.84Å; Q85-K87 VanDerWaalsContact O-N 3.09Å; K87-K89 PolarHBondContact O-N 2.83Å; K87-K89 VanDerWaalsContact O-N 3.14Å | ||
| 88 | K | 63.5 | Low | 54.9 | Low | 185 Ų | 185 | 167.3 Ų | 167.3 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | trans | -76.1 | 95.3 | 170.5 | -166 | 172.4 | -173.3 | 172.7 | 0 | 109 | S86 R90 | S86-K88 PolarHBondContact O-N 3.02Å; K88-R90 PolarHBondContact O-N 2.96Å; K88-R90 VanDerWaalsContact O-N 3.14Å | ||
| 89 | K | 65.3 | Low | 55.2 | Low | 202 Ų | 202 | 169.7 Ų | 169.7 | 88% | 0.878 | 81% | 0.812 | S | S | * | * | trans | -66.8 | 106.7 | 166.9 | -73.6 | -172.1 | 178.6 | -176.7 | 0 | 108.4 | K87 | K87-K89 PolarHBondContact O-N 2.83Å; K87-K89 VanDerWaalsContact O-N 3.14Å | ||
| 90 | R | 66.1 | Low | 55.3 | Low | 223 Ų | 223 | 168.5 Ų | 168.5 | 84% | 0.842 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -75 | 120.9 | 162.9 | -74.4 | 178.9 | 174.3 | 160.9 | -2 | 107.3 | K88 | K88-R90 PolarHBondContact O-N 2.96Å; K88-R90 VanDerWaalsContact O-N 3.14Å |
| 91 | K | 67.8 | Low | 55.7 | Low | 197 Ų | 197 | 173.4 Ų | 173.4 | 86% | 0.857 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 117 | 161.5 | -102.8 | -176.7 | 172.8 | -176.6 | 0 | 107.1 | ||
| 92 | T | 56.2 | Low | 55.9 | Low | 129 Ų | 129 | 171.7 Ų | 171.7 | 79% | 0.791 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 119.6 | 160.3 | 31.7 | 0 | 0 | 0 | 0 | 107.6 | T94 | T92-T94 PolarHBondContact O-N 2.87Š|
| 93 | M | 52.1 | Low | 56.5 | Low | 158 Ų | 158 | 170.2 Ų | 170.2 | 78% | 0.778 | 84% | 0.838 | S | S | * | * | trans | -86.2 | 102.4 | 163.4 | -70.7 | -67.9 | -70 | 0 | 0 | 106.1 | ||||
| 94 | T | 57.8 | Low | 56.5 | Low | 126 Ų | 126 | 167.3 Ų | 167.3 | 77% | 0.773 | 84% | 0.838 | S | S | * | * | trans | -66.4 | 126.6 | 158.8 | 40.9 | 0 | 0 | 0 | 0 | 107.1 | T92 | T92-T94 PolarHBondContact O-N 2.87Š| ||
| 95 | S | 58.6 | Low | 56.9 | Low | 93 Ų | 93 | 166.4 Ų | 166.4 | 65% | 0.65 | 84% | 0.837 | S | S | * | * | trans | -135 | 82.1 | 169.7 | -60.7 | 0 | 0 | 0 | 0 | 106.5 | K97 | S95-K97 PolarHBondContact O-N 2.91Š| ||
| 96 | D | 55.1 | Low | 57.1 | Low | 159 Ų | 159 | 166.5 Ų | 166.5 | 85% | 0.85 | 84% | 0.842 | S | S | * | * | trans | -63.9 | 114.8 | 157.1 | -70.5 | -38.2 | 0 | 0 | 0 | 107.1 | ||||
| 97 | K | 51.5 | Low | 57.1 | Low | 190 Ų | 190 | 169.9 Ų | 169.9 | 83% | 0.826 | 84% | 0.844 | S | S | * | * | trans | -132.9 | 104.5 | 159.6 | -74.9 | -165.7 | 178.9 | -171 | 0 | 108.6 | S95 | S95-K97 PolarHBondContact O-N 2.91Š| ||
| 98 | L | 53.9 | Low | 56.9 | Low | 172 Ų | 172 | 168.7 Ų | 168.7 | 90% | 0.901 | 85% | 0.846 | S | S | * | * | trans | -27.9 | 124.2 | 156.4 | -64.5 | 159.1 | 0 | 0 | 0 | 113.6 | ||||
| 99 | L | 51.4 | Low | 56.3 | Low | 164 Ų | 164 | 167.5 Ų | 167.5 | 86% | 0.859 | 85% | 0.849 | S | S | * | * | trans | -143.5 | 104.3 | 150.9 | -82.4 | 167.9 | 0 | 0 | 0 | 103.3 | ||||
| 100 | A | 46 | Very low | 55.6 | Low | 93 Ų | 93 | 164.6 Ų | 164.6 | 77% | 0.769 | 85% | 0.847 | S | S | * | * | 52.6 | 77.8 | 59.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 101 | E | 50.8 | Low | 54.6 | Low | 271 Ų | 271 | 159.3 Ų | 159.3 | 100% | 1.266 | 85% | 0.847 | S | S | * | * | -165 | 0 | 119.7 | -160.9 | 173.2 | 164.1 | 0 | 0 | 109.8 |
Retrieved 101 of 101 residues in 66.2 ms
(Link to these results)