| 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 | 47.8 | Very low | 75.9 | Confident | 241 Ų | 241 | 113 Ų | 113 | 100% | 1.187 | 64% | 0.644 | S | S | * | * | 0 | 108.6 | 0 | -69.9 | 179.4 | 149.5 | 0 | 0 | 107.5 | A3 | M1-A3 PolarHBondContact O-N 3Š| |||
| 2 | S | 56.3 | Low | 77 | Confident | 99 Ų | 99 | 112.2 Ų | 112.2 | 69% | 0.692 | 64% | 0.635 | S | S | * | * | trans | -63.8 | 107.3 | -164.9 | -54.5 | 0 | 0 | 0 | 0 | 112.7 | I4 | S2-I4 PolarHBondContact O-N 2.83Š| ||
| 3 | A | 63.7 | Low | 77.9 | Confident | 83 Ų | 83 | 110.9 Ų | 110.9 | 69% | 0.686 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.1 | 13.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114 | M1 K5 P6 | M1-A3 PolarHBondContact O-N 3Å; A3-K5 VanDerWaalsContact C-N 3.34Å; A3-P6 WeakPolarHBondContact O-CD 3.41Å; A3-P6 WeakPolarHBondContact O-CG 3.32Å |
| 4 | I | 69.9 | Low | 78.6 | Confident | 117 Ų | 117 | 111 Ų | 111 | 60% | 0.6 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -79.8 | -19.6 | -177 | -136.8 | 156.4 | 0 | 0 | 0 | 112.4 | S2 A7 L8 | S2-I4 PolarHBondContact O-N 2.83Å; I4-A7 PolarHBondContact O-N 2.97Å; I4-L8 PolarHBondContact O-N 2.96Å |
| 5 | K | 78.2 | Confident | 79.1 | Confident | 164 Ų | 164 | 108.1 Ų | 108.1 | 71% | 0.713 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -59.6 | -47.8 | 179.1 | -67.1 | 178 | 178.9 | 172.5 | 0 | 114 | A3 A7 L8 L9 | A3-K5 VanDerWaalsContact C-N 3.34Å; K5-A7 VanDerWaalsContact C-N 3.31Å; K5-A7 PolarHBondContact O-N 3.17Å; K5-L8 PolarHBondContact O-N 2.86Å; K5-L9 PolarHBondContact O-N 3.19Å |
| 6 | P | 79.2 | Confident | 79.5 | Confident | 75 Ų | 75 | 106.6 Ų | 106.6 | 49% | 0.487 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -63.8 | -35.3 | 179.4 | 23.6 | -36.3 | 0 | 0 | 0 | 112.9 | A3 L9 L10 | A3-P6 WeakPolarHBondContact O-CD 3.41Å; A3-P6 WeakPolarHBondContact O-CG 3.32Å; P6-L9 PolarHBondContact O-N 3.46Å; P6-L10 WeakPolarHBondContact O-CG 3.18Å; P6-L10 PolarHBondContact O-N 2.94Å |
| 7 | A | 84.2 | Confident | 79.7 | Confident | 59 Ų | 59 | 102.8 Ų | 102.8 | 49% | 0.488 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -65 | -44.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | I4 K5 L9 L10 C11 | I4-A7 PolarHBondContact O-N 2.97Å; K5-A7 VanDerWaalsContact C-N 3.31Å; K5-A7 PolarHBondContact O-N 3.17Å; A7-L9 VanDerWaalsContact C-N 3.34Å; A7-L9 PolarHBondContact O-N 3.01Å; A7-L10 PolarHBondContact O-N 3.21Å; A7-C11 WeakPolarHBondContact O-CB 3.4Å; A7-C11 PolarHBondContact O-N 2.84Å |
| 8 | L | 86.2 | Confident | 79.5 | Confident | 117 Ų | 117 | 102.6 Ų | 102.6 | 61% | 0.613 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -65.7 | -37 | 175.8 | -67.6 | 176.3 | 0 | 0 | 0 | 112.1 | I4 K5 C11 L12 | I4-L8 PolarHBondContact O-N 2.96Å; K5-L8 PolarHBondContact O-N 2.86Å; L8-C11 PolarHBondContact O-N 2.85Å; L8-L12 WeakPolarHBondContact O-CB 3.38Å; L8-L12 PolarHBondContact O-N 3.5Å |
| 9 | L | 88.2 | Confident | 79.4 | Confident | 106 Ų | 106 | 105.6 Ų | 105.6 | 56% | 0.555 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -63.4 | -47.3 | 175.8 | -167 | 91 | 0 | 0 | 0 | 111.4 | K5 P6 A7 C11 L12 I13 | K5-L9 PolarHBondContact O-N 3.19Å; P6-L9 PolarHBondContact O-N 3.46Å; A7-L9 VanDerWaalsContact C-N 3.34Å; A7-L9 PolarHBondContact O-N 3.01Å; L9-C11 VanDerWaalsContact C-N 3.32Å; L9-C11 PolarHBondContact O-N 3.25Å; L9-L12 PolarHBondContact O-N 3.37Å; L9-I13 HydrophobicContact CD2-CD1 4.17Å; L9-I13 HydrophobicContact CG-CD1 4.1Å; L9-I13 VanDerWaalsContact O-CG1 3.28Å; L9-I13 WeakPolarHBondContact O-CG1 3.5Å; L9-I13 PolarHBondContact O-N 3.18Å |
| 10 | L | 89.3 | Confident | 79.1 | Confident | 108 Ų | 108 | 106.4 Ų | 106.4 | 57% | 0.565 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -61.7 | -41.9 | 176.2 | -75.4 | 171 | 0 | 0 | 0 | 111.4 | P6 A7 I13 L14 | P6-L10 WeakPolarHBondContact O-CG 3.18Å; P6-L10 PolarHBondContact O-N 2.94Å; A7-L10 PolarHBondContact O-N 3.21Å; L10-I13 PolarHBondContact O-N 3.21Å; L10-L14 WeakPolarHBondContact O-CB 3.22Å; L10-L14 WeakPolarHBondContact O-CG 3.23Å; L10-L14 PolarHBondContact O-N 2.79Å |
| 11 | C | 91.6 | Very high | 78.4 | Confident | 74 Ų | 74 | 103.7 Ų | 103.7 | 50% | 0.5 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -59.7 | -47.7 | 175.4 | -165.4 | 0 | 0 | 0 | 0 | 110.9 | A7 L8 L9 I13 L14 T15 | A7-C11 WeakPolarHBondContact O-CB 3.4Å; A7-C11 PolarHBondContact O-N 2.84Å; L8-C11 PolarHBondContact O-N 2.85Å; L9-C11 VanDerWaalsContact C-N 3.32Å; L9-C11 PolarHBondContact O-N 3.25Å; C11-I13 PolarHBondContact O-N 2.81Å; C11-L14 PolarHBondContact O-N 2.68Å; C11-T15 PolarHBondContact O-N 3.29Å; C11-T15 PolarHBondContact O-OG1 2.9Å |
| 12 | L | 89.3 | Confident | 79.1 | Confident | 103 Ų | 103 | 99.1 Ų | 99.1 | 54% | 0.539 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -59.4 | -46.5 | 178 | -176.6 | 74.5 | 0 | 0 | 0 | 112.1 | L8 L9 L14 T15 I16 | L8-L12 WeakPolarHBondContact O-CB 3.38Å; L8-L12 PolarHBondContact O-N 3.5Å; L9-L12 PolarHBondContact O-N 3.37Å; L12-L14 VanDerWaalsContact C-N 3.34Å; L12-L14 PolarHBondContact O-N 3.14Å; L12-T15 PolarHBondContact O-N 2.8Å; L12-I16 HydrophobicContact CD1-CD1 4.32Å; L12-I16 HydrophobicContact CD2-CD1 4.46Å; L12-I16 HydrophobicContact CG-CD1 3.92Å; L12-I16 VanDerWaalsContact O-CG1 3.31Å; L12-I16 WeakPolarHBondContact O-CG1 3.38Å; L12-I16 PolarHBondContact O-N 3.43Å |
| 13 | I | 89 | Confident | 79 | Confident | 96 Ų | 96 | 97.7 Ų | 97.7 | 49% | 0.492 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -61.6 | -43.7 | 179.1 | -67.3 | 164.2 | 0 | 0 | 0 | 110.6 | L9 L10 C11 I16 G17 | L9-I13 HydrophobicContact CD2-CD1 4.17Å; L9-I13 HydrophobicContact CG-CD1 4.1Å; L9-I13 VanDerWaalsContact O-CG1 3.28Å; L9-I13 WeakPolarHBondContact O-CG1 3.5Å; L9-I13 PolarHBondContact O-N 3.18Å; L10-I13 PolarHBondContact O-N 3.21Å; C11-I13 PolarHBondContact O-N 2.81Å; I13-I16 PolarHBondContact O-N 3.44Å; I13-G17 PolarHBondContact O-N 2.93Å |
| 14 | L | 87.7 | Confident | 78.6 | Confident | 112 Ų | 112 | 104.3 Ų | 104.3 | 59% | 0.586 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -60.6 | -46.4 | 176 | -78 | 164 | 0 | 0 | 0 | 111.1 | L10 C11 L12 I16 G17 L18 | L10-L14 WeakPolarHBondContact O-CB 3.22Å; L10-L14 WeakPolarHBondContact O-CG 3.23Å; L10-L14 PolarHBondContact O-N 2.79Å; C11-L14 PolarHBondContact O-N 2.68Å; L12-L14 VanDerWaalsContact C-N 3.34Å; L12-L14 PolarHBondContact O-N 3.14Å; L14-I16 VanDerWaalsContact C-N 3.35Å; L14-I16 PolarHBondContact O-N 3.35Å; L14-G17 PolarHBondContact O-N 2.93Å; L14-L18 WeakPolarHBondContact O-CD1 3.18Å; L14-L18 PolarHBondContact O-N 3.37Å |
| 15 | T | 86.3 | Confident | 77.6 | Confident | 68 Ų | 68 | 102.5 Ų | 102.5 | 42% | 0.417 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -60.6 | -45 | 178.7 | -38.6 | 0 | 0 | 0 | 0 | 111.4 | C11 L12 L18 F19 | C11-T15 PolarHBondContact O-N 3.29Å; C11-T15 PolarHBondContact O-OG1 2.9Å; L12-T15 PolarHBondContact O-N 2.8Å; T15-L18 PolarHBondContact O-N 3.15Å; T15-F19 HydrophobicContact CG2-CD2 4.19Å; T15-F19 HydrophobicContact CG2-CE2 4.26Å; T15-F19 WeakPolarHBondContact O-CD2 3.41Å; T15-F19 PolarHBondContact O-N 3.01Å |
| 16 | I | 85.8 | Confident | 75.9 | Confident | 84 Ų | 84 | 100.8 Ų | 100.8 | 43% | 0.431 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -64.3 | -44.4 | 177.8 | -65.9 | 167.1 | 0 | 0 | 0 | 110.9 | L12 I13 L14 L18 F19 L20 | L12-I16 HydrophobicContact CD1-CD1 4.32Å; L12-I16 HydrophobicContact CD2-CD1 4.46Å; L12-I16 HydrophobicContact CG-CD1 3.92Å; L12-I16 VanDerWaalsContact O-CG1 3.31Å; L12-I16 WeakPolarHBondContact O-CG1 3.38Å; L12-I16 PolarHBondContact O-N 3.43Å; I13-I16 PolarHBondContact O-N 3.44Å; L14-I16 VanDerWaalsContact C-N 3.35Å; L14-I16 PolarHBondContact O-N 3.35Å; I16-L18 VanDerWaalsContact C-N 3.34Å; I16-L18 PolarHBondContact O-N 3.36Å; I16-F19 PolarHBondContact O-N 3.26Å; I16-L20 HydrophobicContact CG2-CD1 3.55Å; I16-L20 HydrophobicContact CG2-CG 4.21Å; I16-L20 WeakPolarHBondContact O-CB 3.11Å; I16-L20 WeakPolarHBondContact O-CG 3.16Å; I16-L20 PolarHBondContact O-N 3.4Å |
| 17 | G | 82.6 | Confident | 74.3 | Confident | 41 Ų | 41 | 102.1 Ų | 102.1 | 42% | 0.423 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -62.4 | -38.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | I13 L14 G21 | I13-G17 PolarHBondContact O-N 2.93Å; L14-G17 PolarHBondContact O-N 2.93Å; G17-G21 WeakPolarHBondContact O-CA 3.45Å; G17-G21 PolarHBondContact O-N 3.05Å |
| 18 | L | 76.5 | Confident | 72.8 | Confident | 99 Ų | 99 | 103.8 Ų | 103.8 | 52% | 0.518 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -64.7 | -46.1 | 171.9 | -93.7 | 100.7 | 0 | 0 | 0 | 111.4 | L14 T15 I16 G21 Q22 | L14-L18 WeakPolarHBondContact O-CD1 3.18Å; L14-L18 PolarHBondContact O-N 3.37Å; T15-L18 PolarHBondContact O-N 3.15Å; I16-L18 VanDerWaalsContact C-N 3.34Å; I16-L18 PolarHBondContact O-N 3.36Å; L18-G21 PolarHBondContact O-N 2.81Å; L18-Q22 VanDerWaalsContact O-CB 3.25Å; L18-Q22 WeakPolarHBondContact O-CB 3.37Å; L18-Q22 VanDerWaalsContact O-CG 3.24Å; L18-Q22 WeakPolarHBondContact O-CG 3.31Å; L18-Q22 PolarHBondContact O-N 3.29Å |
| 19 | F | 77.7 | Confident | 71 | Confident | 160 Ų | 160 | 106.9 Ų | 106.9 | 70% | 0.702 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -63.4 | -44.9 | 178.9 | -96.5 | -88.3 | 0 | 0 | 0 | 112.4 | T15 I16 G23 | T15-F19 HydrophobicContact CG2-CD2 4.19Å; T15-F19 HydrophobicContact CG2-CE2 4.26Å; T15-F19 WeakPolarHBondContact O-CD2 3.41Å; T15-F19 PolarHBondContact O-N 3.01Å; I16-F19 PolarHBondContact O-N 3.26Å; F19-G23 PolarHBondContact O-N 2.95Å |
| 20 | L | 71.8 | Confident | 69.2 | Low | 121 Ų | 121 | 105.9 Ų | 105.9 | 63% | 0.634 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -67.6 | -41.7 | 177.2 | -71.6 | 167.1 | 0 | 0 | 0 | 111.7 | I16 G23 R24 | I16-L20 HydrophobicContact CG2-CD1 3.55Å; I16-L20 HydrophobicContact CG2-CG 4.21Å; I16-L20 WeakPolarHBondContact O-CB 3.11Å; I16-L20 WeakPolarHBondContact O-CG 3.16Å; I16-L20 PolarHBondContact O-N 3.4Å; L20-G23 PolarHBondContact O-N 3.42Å; L20-R24 PolarHBondContact O-N 3.5Å |
| 21 | G | 65.1 | Low | 67.2 | Low | 51 Ų | 51 | 107.1 Ų | 107.1 | 53% | 0.526 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -68.5 | -33.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | G17 L18 | G17-G21 WeakPolarHBondContact O-CA 3.45Å; G17-G21 PolarHBondContact O-N 3.05Å; L18-G21 PolarHBondContact O-N 2.81Å |
| 22 | Q | 62.6 | Low | 65 | Low | 145 Ų | 145 | 109.2 Ų | 109.2 | 68% | 0.678 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -82.4 | -29.1 | 175.7 | -68.4 | -168.3 | -18.6 | 0 | 0 | 112.8 | L18 R24 | L18-Q22 VanDerWaalsContact O-CB 3.25Å; L18-Q22 WeakPolarHBondContact O-CB 3.37Å; L18-Q22 VanDerWaalsContact O-CG 3.24Å; L18-Q22 WeakPolarHBondContact O-CG 3.31Å; L18-Q22 PolarHBondContact O-N 3.29Å; Q22-R24 VanDerWaalsContact C-N 3.26Å; Q22-R24 PolarHBondContact O-N 2.95Å |
| 23 | G | 54 | Low | 63.4 | Low | 69 Ų | 69 | 109.4 Ų | 109.4 | 71% | 0.711 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -72.7 | -12.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | F19 L20 | F19-G23 PolarHBondContact O-N 2.95Å; L20-G23 PolarHBondContact O-N 3.42Å |
| 24 | R | 55.1 | Low | 61.4 | Low | 221 Ų | 221 | 111.8 Ų | 111.8 | 83% | 0.834 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.4 | 9.7 | -179.2 | -91.1 | -90.5 | 170.3 | 153.6 | -6.6 | 114.1 | L20 Q22 N26 | L20-R24 PolarHBondContact O-N 3.5Å; Q22-R24 VanDerWaalsContact C-N 3.26Å; Q22-R24 PolarHBondContact O-N 2.95Å; R24-N26 PolarHBondContact O-N 3.4Å |
| 25 | A | 48.8 | Very low | 59.7 | Low | 79 Ų | 79 | 113.3 Ų | 113.3 | 65% | 0.653 | 64% | 0.642 | S | S | * | * | trans | -80.6 | 8.3 | -177 | 0 | 0 | 0 | 0 | 0 | 115 | P27 | A25-P27 VanDerWaalsContact C-CD 3.4Å; A25-P27 WeakPolarHBondContact O-CD 3.28Å | ||
| 26 | N | 42.5 | Very low | 58.1 | Low | 128 Ų | 128 | 115.4 Ų | 115.4 | 68% | 0.684 | 66% | 0.656 | S | S | * | * | trans | -110.9 | 84.1 | 168.7 | -164.6 | 32.7 | 0 | 0 | 0 | 111 | R24 V28 | R24-N26 PolarHBondContact O-N 3.4Å; N26-V28 PolarHBondContact O-N 2.99Å | ||
| 27 | P | 46.9 | Very low | 56.2 | Low | 103 Ų | 103 | 115.5 Ų | 115.5 | 67% | 0.669 | 67% | 0.669 | S | S | * | * | trans | -73.6 | 74.5 | 160.2 | 34 | -31.3 | 0 | 0 | 0 | 107.2 | A25 E29 | A25-P27 VanDerWaalsContact C-CD 3.4Å; A25-P27 WeakPolarHBondContact O-CD 3.28Å; P27-E29 PolarHBondContact O-N 3.42Å | ||
| 28 | V | 51.4 | Low | 54.9 | Low | 95 Ų | 95 | 118.4 Ų | 118.4 | 58% | 0.576 | 68% | 0.681 | S | S | * | * | trans | -76.6 | 78.7 | 162.6 | 118.7 | 0 | 0 | 0 | 0 | 105.7 | N26 T30 | N26-V28 PolarHBondContact O-N 2.99Å; V28-T30 PolarHBondContact O-N 2.83Å | ||
| 29 | E | 48.5 | Very low | 53.6 | Low | 182 Ų | 182 | 121 Ų | 121 | 85% | 0.85 | 70% | 0.695 | S | S | * | * | trans | -58.9 | 83.4 | 153.5 | -69.2 | -78.1 | 148.8 | 0 | 0 | 105.5 | P27 | P27-E29 PolarHBondContact O-N 3.42Š| ||
| 30 | T | 50.8 | Low | 52.1 | Low | 85 Ų | 85 | 117.8 Ų | 117.8 | 52% | 0.521 | 70% | 0.698 | S | S | . | * | trans | -142.8 | 94.4 | 178.7 | -47.4 | 0 | 0 | 0 | 0 | 108.4 | V28 | V28-T30 PolarHBondContact O-N 2.83Š| ||
| 31 | N | 46.9 | Very low | 50.7 | Low | 134 Ų | 134 | 118.2 Ų | 118.2 | 72% | 0.717 | 70% | 0.701 | S | S | * | * | trans | 75.6 | 88.1 | 156.9 | -53.6 | -42.7 | 0 | 0 | 0 | 115.5 | P33 | N31-P33 WeakPolarHBondContact O-CD 3.41Å; N31-P33 VanDerWaalsContact O-N 3.16Å | ||
| 32 | V | 46.8 | Very low | 49.7 | Very low | 118 Ų | 118 | 124 Ų | 124 | 72% | 0.715 | 71% | 0.714 | S | S | * | * | 25.3 | 85.9 | 119.4 | -170 | 0 | 0 | 0 | 0 | 112.8 | D34 | V32-D34 PolarHBondContact O-N 3.18Š| |||
| 33 | P | 55.5 | Low | 49.1 | Very low | 107 Ų | 107 | 125.1 Ų | 125.1 | 70% | 0.695 | 72% | 0.724 | S | S | * | * | trans | -62.4 | 114.2 | 145.9 | -6.4 | 23.8 | 0 | 0 | 0 | 104.3 | N31 I35 | N31-P33 WeakPolarHBondContact O-CD 3.41Å; N31-P33 VanDerWaalsContact O-N 3.16Å; P33-I35 VanDerWaalsContact C-N 3.33Å; P33-I35 WeakPolarHBondContact O-CG1 3.43Å; P33-I35 PolarHBondContact O-N 2.81Å | ||
| 34 | D | 46.9 | Very low | 48.8 | Very low | 145 Ų | 145 | 125 Ų | 125 | 78% | 0.775 | 72% | 0.722 | S | S | * | * | trans | -41.3 | 103.2 | 165.8 | -68.5 | -60.7 | 0 | 0 | 0 | 107.7 | V32 P36 | V32-D34 PolarHBondContact O-N 3.18Å; D34-P36 WeakPolarHBondContact O-CD 3.25Å | ||
| 35 | I | 51.3 | Low | 48.4 | Very low | 145 Ų | 145 | 121 Ų | 121 | 74% | 0.744 | 72% | 0.716 | S | S | * | * | trans | -79.1 | 102 | 170.9 | -57.9 | 174.4 | 0 | 0 | 0 | 102.5 | P33 A37 | P33-I35 VanDerWaalsContact C-N 3.33Å; P33-I35 WeakPolarHBondContact O-CG1 3.43Å; P33-I35 PolarHBondContact O-N 2.81Å; I35-A37 PolarHBondContact O-N 3.26Å | ||
| 36 | P | 52.9 | Low | 48.6 | Very low | 112 Ų | 112 | 124.3 Ų | 124.3 | 73% | 0.727 | 72% | 0.723 | S | S | * | * | trans | -54.7 | 121.1 | 163.6 | 24.9 | -32.3 | 0 | 0 | 0 | 105.5 | D34 | D34-P36 WeakPolarHBondContact O-CD 3.25Š| ||
| 37 | A | 45.4 | Very low | 48.8 | Very low | 85 Ų | 85 | 126.4 Ų | 126.4 | 70% | 0.702 | 73% | 0.726 | S | S | * | * | trans | -47.3 | 129.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 108.1 | I35 D39 | I35-A37 PolarHBondContact O-N 3.26Å; A37-D39 PolarHBondContact O-N 2.97Å | ||
| 38 | P | 54.7 | Low | 48.7 | Very low | 102 Ų | 102 | 123.9 Ų | 123.9 | 66% | 0.662 | 72% | 0.719 | S | S | * | * | trans | -59.9 | 113.3 | 177.6 | 25.2 | -31.3 | 0 | 0 | 0 | 106.1 | A40 | P38-A40 PolarHBondContact O-N 2.78Š| ||
| 39 | D | 49.4 | Very low | 48.6 | Very low | 155 Ų | 155 | 128 Ų | 128 | 83% | 0.829 | 73% | 0.732 | S | S | * | * | trans | -61.2 | 76.2 | 155.6 | 51.6 | -14.6 | 0 | 0 | 0 | 106.9 | A37 N41 | A37-D39 PolarHBondContact O-N 2.97Å; D39-N41 PolarHBondContact O-N 3.47Å | ||
| 40 | A | 45.9 | Very low | 48.5 | Very low | 91 Ų | 91 | 128.4 Ų | 128.4 | 75% | 0.752 | 73% | 0.734 | S | S | * | * | trans | -69.1 | 73.2 | 168 | 0 | 0 | 0 | 0 | 0 | 107.4 | P38 | P38-A40 PolarHBondContact O-N 2.78Š| ||
| 41 | N | 42.4 | Very low | 48.6 | Very low | 131 Ų | 131 | 133.2 Ų | 133.2 | 70% | 0.701 | 75% | 0.75 | S | S | * | * | trans | -156.1 | 118.2 | 162.8 | -142.5 | 54.5 | 0 | 0 | 0 | 110.5 | D39 | D39-N41 PolarHBondContact O-N 3.47Š| ||
| 42 | E | 44.8 | Very low | 48.4 | Very low | 171 Ų | 171 | 134.7 Ų | 134.7 | 80% | 0.799 | 76% | 0.758 | S | S | * | * | trans | 80.5 | 51.6 | 164.3 | -57.7 | 179.9 | -172.9 | 0 | 0 | 118.1 | G44 | E42-G44 PolarHBondContact O-N 3.39Š| ||
| 43 | L | 50.5 | Low | 48.2 | Very low | 170 Ų | 170 | 132.1 Ų | 132.1 | 89% | 0.89 | 75% | 0.75 | S | S | * | * | trans | -85.5 | 81.9 | 138.6 | -83.1 | 158.3 | 0 | 0 | 0 | 107.3 | I45 | L43-I45 VanDerWaalsContact C-N 3.32Å; L43-I45 PolarHBondContact O-N 2.97Å | ||
| 44 | G | 47 | Very low | 47.7 | Very low | 65 Ų | 65 | 133.2 Ų | 133.2 | 67% | 0.67 | 75% | 0.754 | S | S | * | * | trans | -52 | 105.1 | 156.3 | 0 | 0 | 0 | 0 | 0 | 107.1 | E42 D46 | E42-G44 PolarHBondContact O-N 3.39Å; G44-D46 PolarHBondContact O-N 2.96Å | ||
| 45 | I | 47.4 | Very low | 47.8 | Very low | 137 Ų | 137 | 134.2 Ų | 134.2 | 70% | 0.703 | 76% | 0.76 | S | S | * | * | trans | -70.8 | 72.4 | 170.2 | -1 | 173.2 | 0 | 0 | 0 | 105.9 | L43 F47 | L43-I45 VanDerWaalsContact C-N 3.32Å; L43-I45 PolarHBondContact O-N 2.97Å; I45-F47 VanDerWaalsContact C-N 3.3Å; I45-F47 HydrophobicContact CB-CD2 4.16Å; I45-F47 HydrophobicContact CB-CE2 3.73Å; I45-F47 HydrophobicContact CB-CZ 4.34Å; I45-F47 HydrophobicContact CD1-CE2 4.44Å; I45-F47 HydrophobicContact CG2-CD2 4.34Å; I45-F47 HydrophobicContact CG2-CE2 3.74Å; I45-F47 HydrophobicContact CG2-CZ 3.84Å; I45-F47 WeakPolarHBondContact O-CD2 3.24Å; I45-F47 PolarHBondContact O-N 3.27Å; I45-F47 VanDerWaalsContact O-N 3.14Å | ||
| 46 | D | 51.9 | Low | 47.2 | Very low | 149 Ų | 149 | 136.3 Ų | 136.3 | 80% | 0.797 | 76% | 0.763 | S | S | * | * | trans | -71.1 | 97.2 | 161.4 | -171.4 | 19.1 | 0 | 0 | 0 | 105.2 | G44 G48 | G44-D46 PolarHBondContact O-N 2.96Å; D46-G48 PolarHBondContact O-N 3.47Å | ||
| 47 | F | 48.3 | Very low | 46.7 | Very low | 173 Ų | 173 | 136.4 Ų | 136.4 | 76% | 0.759 | 76% | 0.764 | S | S | * | * | trans | -71 | 57.9 | 168.3 | -70.4 | -88.8 | 0 | 0 | 0 | 108.7 | I45 E49 | I45-F47 VanDerWaalsContact C-N 3.3Å; I45-F47 HydrophobicContact CB-CD2 4.16Å; I45-F47 HydrophobicContact CB-CE2 3.73Å; I45-F47 HydrophobicContact CB-CZ 4.34Å; I45-F47 HydrophobicContact CD1-CE2 4.44Å; I45-F47 HydrophobicContact CG2-CD2 4.34Å; I45-F47 HydrophobicContact CG2-CE2 3.74Å; I45-F47 HydrophobicContact CG2-CZ 3.84Å; I45-F47 WeakPolarHBondContact O-CD2 3.24Å; I45-F47 PolarHBondContact O-N 3.27Å; I45-F47 VanDerWaalsContact O-N 3.14Å; F47-E49 PolarHBondContact O-N 2.9Å | ||
| 48 | G | 44.2 | Very low | 46.9 | Very low | 50 Ų | 50 | 140.5 Ų | 140.5 | 52% | 0.515 | 77% | 0.773 | S | S | . | * | trans | -83.4 | 87.3 | 166.5 | 0 | 0 | 0 | 0 | 0 | 108 | D46 E50 | D46-G48 PolarHBondContact O-N 3.47Å; G48-E50 PolarHBondContact O-N 3.4Å | ||
| 49 | E | 48.5 | Very low | 46.1 | Very low | 182 Ų | 182 | 137.7 Ų | 137.7 | 85% | 0.85 | 76% | 0.763 | S | S | * | * | trans | 33.5 | 83.6 | 138.7 | -54.7 | -177.6 | 175.2 | 0 | 0 | 115.6 | F47 E51 | F47-E49 PolarHBondContact O-N 2.9Å; E49-E51 PolarHBondContact O-N 2.94Å | ||
| 50 | E | 47.6 | Very low | 46.1 | Very low | 189 Ų | 189 | 138 Ų | 138 | 88% | 0.883 | 76% | 0.763 | S | S | * | * | S | Bend | 49.7 | 71.8 | 120.6 | -158.8 | 174.2 | -152.9 | 0 | 0 | 117.4 | G48 | G48-E50 PolarHBondContact O-N 3.4Š| |
| 51 | E | 51.4 | Low | 45.9 | Very low | 187 Ų | 187 | 142.5 Ų | 142.5 | 87% | 0.874 | 77% | 0.766 | S | S | * | * | trans | -174.9 | 60.2 | 145.2 | -115.6 | -174.9 | 131.5 | 0 | 0 | 111.4 | E49 A53 | E49-E51 PolarHBondContact O-N 2.94Å; E51-A53 PolarHBondContact O-N 3.33Å | ||
| 52 | D | 43 | Very low | 46.3 | Very low | 164 Ų | 164 | 141.4 Ų | 141.4 | 88% | 0.877 | 76% | 0.764 | S | S | * | * | trans | -76.1 | 81.6 | 164.7 | -157.7 | 22.3 | 0 | 0 | 0 | 108.6 | ||||
| 53 | A | 44.2 | Very low | 46.4 | Very low | 65 Ų | 65 | 139.6 Ų | 139.6 | 54% | 0.537 | 76% | 0.758 | S | S | . | * | trans | -49.6 | 145.9 | 157.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | E51 | E51-A53 PolarHBondContact O-N 3.33Š| ||
| 54 | T | 45.1 | Very low | 46.3 | Very low | 129 Ų | 129 | 140.2 Ų | 140.2 | 79% | 0.791 | 75% | 0.754 | S | S | * | * | trans | 88.8 | 53.9 | 164.1 | -20.7 | 0 | 0 | 0 | 0 | 114.9 | K56 | T54-K56 VanDerWaalsContact C-N 3.32Å; T54-K56 PolarHBondContact O-N 3.06Å | ||
| 55 | D | 47.2 | Very low | 46.2 | Very low | 167 Ų | 167 | 144.5 Ų | 144.5 | 89% | 0.893 | 76% | 0.756 | S | S | * | * | trans | -48 | 103 | 152 | -89.9 | -39.9 | 0 | 0 | 0 | 109.5 | ||||
| 56 | K | 39.5 | Very low | 46.1 | Very low | 188 Ų | 188 | 143.2 Ų | 143.2 | 82% | 0.817 | 76% | 0.757 | S | S | * | * | trans | -41.1 | 133.9 | 176.4 | -159.3 | 164.6 | -176.5 | 172.4 | 0 | 110 | T54 L58 | T54-K56 VanDerWaalsContact C-N 3.32Å; T54-K56 PolarHBondContact O-N 3.06Å; K56-L58 PolarHBondContact O-N 2.85Å | ||
| 57 | P | 42.9 | Very low | 45.7 | Very low | 115 Ų | 115 | 147.1 Ų | 147.1 | 75% | 0.747 | 76% | 0.76 | S | S | * | * | trans | -54.1 | 129.5 | -162.4 | 20.8 | -34 | 0 | 0 | 0 | 111.8 | G59 | P57-G59 VanDerWaalsContact C-N 3.31Å; P57-G59 PolarHBondContact O-N 2.92Å | ||
| 58 | L | 48.2 | Very low | 45.6 | Very low | 171 Ų | 171 | 146.4 Ų | 146.4 | 90% | 0.895 | 76% | 0.763 | S | S | * | * | trans | -30.6 | 89.4 | 167.2 | -68 | 156.2 | 0 | 0 | 0 | 111.1 | K56 I60 | K56-L58 PolarHBondContact O-N 2.85Å; L58-I60 PolarHBondContact O-N 2.85Å; L58-I60 VanDerWaalsContact O-N 3.13Å | ||
| 59 | G | 39.1 | Very low | 45.5 | Very low | 43 Ų | 43 | 151.7 Ų | 151.7 | 44% | 0.443 | 77% | 0.774 | S | S | . | * | trans | -59.8 | 119.6 | 170.5 | 0 | 0 | 0 | 0 | 0 | 106.6 | P57 F61 | P57-G59 VanDerWaalsContact C-N 3.31Å; P57-G59 PolarHBondContact O-N 2.92Å; G59-F61 WeakPolarHBondContact O-CD2 3.38Å; G59-F61 WeakPolarHBondContact O-CE2 3.38Å; G59-F61 PolarHBondContact O-N 2.98Å | ||
| 60 | I | 48.1 | Very low | 45.3 | Very low | 160 Ų | 160 | 151.4 Ų | 151.4 | 82% | 0.821 | 77% | 0.772 | S | S | * | * | trans | -66.2 | 86 | 174.5 | -59.9 | 165.9 | 0 | 0 | 0 | 106.6 | L58 T62 | L58-I60 PolarHBondContact O-N 2.85Å; L58-I60 VanDerWaalsContact O-N 3.13Å; I60-T62 PolarHBondContact O-N 3.22Å | ||
| 61 | F | 42 | Very low | 45.1 | Very low | 187 Ų | 187 | 148.2 Ų | 148.2 | 82% | 0.82 | 77% | 0.768 | S | S | * | * | trans | -76.1 | 98.1 | 172 | -63.5 | -75.7 | 0 | 0 | 0 | 107.2 | G59 I63 | G59-F61 WeakPolarHBondContact O-CD2 3.38Å; G59-F61 WeakPolarHBondContact O-CE2 3.38Å; G59-F61 PolarHBondContact O-N 2.98Å; F61-I63 PolarHBondContact O-N 3.44Å; F61-I63 VanDerWaalsContact O-N 3.11Å | ||
| 62 | T | 52.3 | Low | 44.8 | Very low | 107 Ų | 107 | 149.4 Ų | 149.4 | 66% | 0.656 | 77% | 0.765 | S | S | * | * | trans | -66.6 | 109.9 | 170.6 | -59.5 | 0 | 0 | 0 | 0 | 107.7 | I60 K64 | I60-T62 PolarHBondContact O-N 3.22Å; T62-K64 VanDerWaalsContact C-N 3.26Å; T62-K64 PolarHBondContact O-N 3.46Å | ||
| 63 | I | 46.9 | Very low | 44.8 | Very low | 133 Ų | 133 | 149.8 Ų | 149.8 | 68% | 0.682 | 77% | 0.767 | S | S | * | * | trans | -67.3 | 92.1 | 169.8 | -56.3 | 173.9 | 0 | 0 | 0 | 106.8 | F61 H65 | F61-I63 PolarHBondContact O-N 3.44Å; F61-I63 VanDerWaalsContact O-N 3.11Å; I63-H65 PolarHBondContact O-N 2.86Å; I63-H65 PolarHBondContact O-ND1 3.38Å | ||
| 64 | K | 47 | Very low | 44.8 | Very low | 183 Ų | 183 | 150.3 Ų | 150.3 | 80% | 0.796 | 77% | 0.771 | S | S | * | * | trans | -65.5 | 87.6 | 166.3 | -72.1 | -175.8 | -179.8 | 178.2 | 0 | 106.9 | T62 P66 | T62-K64 VanDerWaalsContact C-N 3.26Å; T62-K64 PolarHBondContact O-N 3.46Å; K64-P66 WeakPolarHBondContact O-CD 3.19Å; K64-P66 VanDerWaalsContact O-N 3.08Å | ||
| 65 | H | 45.2 | Very low | 44.7 | Very low | 155 Ų | 155 | 148.7 Ų | 148.7 | 72% | 0.718 | 77% | 0.771 | S | S | * | * | trans | -55.6 | 116.3 | 166.6 | -80.7 | 78.4 | 0 | 0 | 0 | 106.8 | I63 R67 | I63-H65 PolarHBondContact O-N 2.86Å; I63-H65 PolarHBondContact O-ND1 3.38Å; H65-R67 PolarHBondContact O-N 2.84Å | ||
| 66 | P | 46.4 | Very low | 44.7 | Very low | 110 Ų | 110 | 143.8 Ų | 143.8 | 71% | 0.714 | 75% | 0.754 | S | S | * | * | trans | -56.9 | 119 | 173.2 | -16.6 | 28.9 | 0 | 0 | 0 | 105.6 | K64 I68 | K64-P66 WeakPolarHBondContact O-CD 3.19Å; K64-P66 VanDerWaalsContact O-N 3.08Å; P66-I68 PolarHBondContact O-N 3.29Å | ||
| 67 | R | 42.7 | Very low | 44.6 | Very low | 232 Ų | 232 | 140.7 Ų | 140.7 | 88% | 0.875 | 75% | 0.751 | S | S | * | * | trans | -62.4 | 90.4 | 170.1 | -159.7 | 177.7 | -165.9 | 149.2 | 0.6 | 104.7 | H65 Q69 | H65-R67 PolarHBondContact O-N 2.84Å; R67-Q69 PolarHBondContact O-N 2.85Å | ||
| 68 | I | 45.5 | Very low | 44.5 | Very low | 158 Ų | 158 | 143.6 Ų | 143.6 | 81% | 0.81 | 75% | 0.748 | S | S | * | * | trans | -62.6 | 97.4 | 164.6 | -63.6 | 177.4 | 0 | 0 | 0 | 103.2 | P66 E70 | P66-I68 PolarHBondContact O-N 3.29Å; I68-E70 PolarHBondContact O-N 3.43Å | ||
| 69 | Q | 43.3 | Very low | 44 | Very low | 161 Ų | 161 | 146.7 Ų | 146.7 | 75% | 0.752 | 75% | 0.748 | S | S | * | * | trans | -66.9 | 104.9 | -179.9 | -168.5 | 145.8 | 26.3 | 0 | 0 | 105.3 | R67 P71 | R67-Q69 PolarHBondContact O-N 2.85Å; Q69-P71 VanDerWaalsContact O-CD 3.23Å; Q69-P71 WeakPolarHBondContact O-CD 3.46Å; Q69-P71 VanDerWaalsContact O-N 3.16Å | ||
| 70 | E | 44.1 | Very low | 44 | Very low | 175 Ų | 175 | 149.8 Ų | 149.8 | 82% | 0.818 | 76% | 0.762 | S | S | * | * | trans | -57.2 | 120 | 164.3 | -75.5 | -173.2 | 160.5 | 0 | 0 | 107 | I68 R72 | I68-E70 PolarHBondContact O-N 3.43Å; E70-R72 VanDerWaalsContact C-N 3.26Å; E70-R72 PolarHBondContact O-N 3.47Å | ||
| 71 | P | 43 | Very low | 43.6 | Very low | 123 Ų | 123 | 148 Ų | 148 | 80% | 0.799 | 75% | 0.754 | S | S | * | * | trans | -76.5 | 87 | 173.7 | 31.2 | -29.3 | 0 | 0 | 0 | 107.3 | Q69 | Q69-P71 VanDerWaalsContact O-CD 3.23Å; Q69-P71 WeakPolarHBondContact O-CD 3.46Å; Q69-P71 VanDerWaalsContact O-N 3.16Å | ||
| 72 | R | 45 | Very low | 43.7 | Very low | 211 Ų | 211 | 145.1 Ų | 145.1 | 80% | 0.796 | 75% | 0.754 | S | S | * | * | trans | -137.1 | 83.5 | 157.8 | -105.9 | -177.3 | -176.8 | -179.7 | -0.3 | 109.4 | E70 A74 | E70-R72 VanDerWaalsContact C-N 3.26Å; E70-R72 PolarHBondContact O-N 3.47Å; R72-A74 PolarHBondContact O-N 3.31Å | ||
| 73 | D | 43.1 | Very low | 43.2 | Very low | 172 Ų | 172 | 150.8 Ų | 150.8 | 92% | 0.92 | 76% | 0.763 | S | S | * | * | trans | -53 | 91 | 141.4 | -64.3 | -46.2 | 0 | 0 | 0 | 108.6 | ||||
| 74 | A | 43.9 | Very low | 42.7 | Very low | 76 Ų | 76 | 150.6 Ų | 150.6 | 63% | 0.628 | 77% | 0.768 | S | S | * | * | trans | -137.3 | 93.9 | 145.3 | 0 | 0 | 0 | 0 | 0 | 104.8 | R72 A76 | R72-A74 PolarHBondContact O-N 3.31Å; A74-A76 PolarHBondContact O-N 2.97Å | ||
| 75 | A | 43 | Very low | 42.2 | Very low | 95 Ų | 95 | 146.6 Ų | 146.6 | 79% | 0.785 | 76% | 0.764 | S | S | * | * | trans | -57.7 | 70.7 | 151.2 | 0 | 0 | 0 | 0 | 0 | 107.9 | T77 | A75-T77 PolarHBondContact O-N 2.74Š| ||
| 76 | A | 47.1 | Very low | 42.1 | Very low | 65 Ų | 65 | 145 Ų | 145 | 54% | 0.537 | 77% | 0.767 | S | S | . | * | trans | -65.2 | 89.2 | 159.3 | 0 | 0 | 0 | 0 | 0 | 103.9 | A74 Y78 | A74-A76 PolarHBondContact O-N 2.97Å; A76-Y78 HydrophobicContact CB-CD2 3.91Å; A76-Y78 HydrophobicContact CB-CE2 3.77Å; A76-Y78 WeakPolarHBondContact O-CD2 3.41Å; A76-Y78 PolarHBondContact O-N 3.02Å | ||
| 77 | T | 37.5 | Very low | 41.9 | Very low | 123 Ų | 123 | 145.3 Ų | 145.3 | 76% | 0.755 | 77% | 0.769 | S | S | * | * | trans | -64.3 | 87.1 | 168.5 | -60.2 | 0 | 0 | 0 | 0 | 105.1 | A75 R79 | A75-T77 PolarHBondContact O-N 2.74Å; T77-R79 VanDerWaalsContact C-N 3.35Å; T77-R79 PolarHBondContact O-N 3.39Å | ||
| 78 | Y | 41.5 | Very low | 41.6 | Very low | 175 Ų | 175 | 139.3 Ų | 139.3 | 69% | 0.686 | 76% | 0.758 | S | S | * | * | trans | -68.9 | 100.7 | 167.8 | -86.4 | -89.3 | 0 | 0 | 0 | 106.3 | A76 C80 | A76-Y78 HydrophobicContact CB-CD2 3.91Å; A76-Y78 HydrophobicContact CB-CE2 3.77Å; A76-Y78 WeakPolarHBondContact O-CD2 3.41Å; A76-Y78 PolarHBondContact O-N 3.02Å; Y78-C80 PolarHBondContact O-N 3.26Å | ||
| 79 | R | 37.8 | Very low | 41 | Very low | 236 Ų | 236 | 137.6 Ų | 137.6 | 89% | 0.891 | 76% | 0.76 | S | S | * | * | trans | -65.6 | 92.2 | 156.6 | -87.9 | -173.4 | 175 | 143 | -1.3 | 106.3 | T77 D81 | T77-R79 VanDerWaalsContact C-N 3.35Å; T77-R79 PolarHBondContact O-N 3.39Å; R79-D81 VanDerWaalsContact C-N 3.32Å; R79-D81 PolarHBondContact O-N 3.34Å | ||
| 80 | C | 38.3 | Very low | 40.6 | Very low | 109 Ų | 109 | 136.4 Ų | 136.4 | 74% | 0.736 | 76% | 0.759 | S | S | * | * | trans | -67.8 | 98.3 | 164.5 | -66.7 | 0 | 0 | 0 | 0 | 107 | Y78 P82 | Y78-C80 PolarHBondContact O-N 3.26Å; C80-P82 VanDerWaalsContact O-CD 3.32Å; C80-P82 WeakPolarHBondContact O-CD 3.22Å | ||
| 81 | D | 39.6 | Very low | 40 | Very low | 123 Ų | 123 | 131.5 Ų | 131.5 | 66% | 0.658 | 76% | 0.755 | S | S | * | * | trans | -61.6 | 115.5 | 168.6 | -143.3 | -29.1 | 0 | 0 | 0 | 107.1 | R79 R83 | R79-D81 VanDerWaalsContact C-N 3.32Å; R79-D81 PolarHBondContact O-N 3.34Å; D81-R83 PolarHBondContact O-N 3.47Å | ||
| 82 | P | 44.1 | Very low | 39.5 | Very low | 125 Ų | 125 | 134.1 Ų | 134.1 | 81% | 0.812 | 76% | 0.761 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.3 | 12.3 | -169.3 | 25.9 | -33.1 | 0 | 0 | 0 | 114.1 | C80 | C80-P82 VanDerWaalsContact O-CD 3.32Å; C80-P82 WeakPolarHBondContact O-CD 3.22Å |
| 83 | R | 41.6 | Very low | 38.7 | Very low | 226 Ų | 226 | 127.1 Ų | 127.1 | 85% | 0.853 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.4 | -1.4 | -174.3 | -82.8 | -171.3 | 165 | 154.6 | -1.5 | 116.3 | D81 | D81-R83 PolarHBondContact O-N 3.47Š|
| 84 | T | 37.9 | Very low | 38.3 | Very low | 129 Ų | 129 | 128.4 Ų | 128.4 | 79% | 0.791 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -100.8 | 95.5 | 169 | 42 | 0 | 0 | 0 | 0 | 110.4 | ||
| 85 | S | 36.1 | Very low | 37.7 | Very low | 100 Ų | 100 | 134.5 Ų | 134.5 | 70% | 0.699 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -47.4 | 139.6 | 168 | 44.2 | 0 | 0 | 0 | 0 | 112.6 | ||
| 86 | P | 42.5 | Very low | 37 | Very low | 121 Ų | 121 | 139 Ų | 139 | 79% | 0.786 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 131.6 | 176.9 | 25.9 | -32.1 | 0 | 0 | 0 | 111.4 | T88 | P86-T88 PolarHBondContact O-N 3.47Š|
| 87 | P | 41.7 | Very low | 36.7 | Very low | 117 Ų | 117 | 141 Ų | 141 | 76% | 0.76 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 121.4 | 166.6 | 28.3 | -29.3 | 0 | 0 | 0 | 110.6 | ||
| 88 | T | 37.2 | Very low | 36.5 | Very low | 105 Ų | 105 | 141.7 Ų | 141.7 | 64% | 0.644 | 78% | 0.779 | S | S | * | * | trans | 66.3 | 99.6 | 147.6 | -4.1 | 0 | 0 | 0 | 0 | 118.6 | P86 D90 | P86-T88 PolarHBondContact O-N 3.47Å; T88-D90 WeakPolarHBondContact CG2-OD2 3.45Å; T88-D90 PolarHBondContact O-N 2.85Å | ||
| 89 | S | 33.2 | Very low | 36.3 | Very low | 122 Ų | 122 | 139.9 Ų | 139.9 | 85% | 0.853 | 78% | 0.78 | S | S | * | * | trans | -62.6 | 79.6 | 152.3 | 55.3 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 90 | D | 35.1 | Very low | 36 | Very low | 137 Ų | 137 | 133.9 Ų | 133.9 | 73% | 0.733 | 78% | 0.775 | S | S | * | * | trans | -140.7 | 118 | 165.7 | -79.7 | -43.2 | 0 | 0 | 0 | 109.1 | T88 | T88-D90 WeakPolarHBondContact CG2-OD2 3.45Å; T88-D90 PolarHBondContact O-N 2.85Å | ||
| 91 | G | 30.7 | Very low | 35.9 | Very low | 71 Ų | 71 | 131.7 Ų | 131.7 | 73% | 0.732 | 76% | 0.764 | S | S | * | * | S | Bend | trans | 88.2 | 98.2 | 164.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 92 | L | 33.5 | Very low | 35.5 | Very low | 178 Ų | 178 | 134.3 Ų | 134.3 | 93% | 0.932 | 77% | 0.772 | S | S | * | * | S | Bend | trans | 18.1 | 108.2 | 146.6 | -75.2 | 99.9 | 0 | 0 | 0 | 116.8 | ||
| 93 | G | 27.8 | Very low | 35.1 | Very low | 65 Ų | 65 | 132.6 Ų | 132.6 | 67% | 0.67 | 76% | 0.762 | S | S | * | * | S | Bend | trans | 76.1 | 94.1 | 140 | 0 | 0 | 0 | 0 | 0 | 115.4 | K95 | G93-K95 PolarHBondContact O-N 2.84Š|
| 94 | K | 33.6 | Very low | 34.8 | Very low | 199 Ų | 199 | 128.4 Ų | 128.4 | 87% | 0.865 | 76% | 0.757 | S | S | * | * | trans | 60 | 50.1 | 143.7 | -53.6 | -176.1 | 179.9 | -179 | 0 | 115.1 | F96 | K94-F96 VanDerWaalsContact C-N 3.28Å; K94-F96 PolarHBondContact O-N 3.41Å; K94-F96 VanDerWaalsContact O-N 3.14Å | ||
| 95 | K | 31.3 | Very low | 34.8 | Very low | 204 Ų | 204 | 131 Ų | 131 | 89% | 0.887 | 76% | 0.76 | S | S | * | * | trans | -78.3 | 89.1 | 150.4 | -83.9 | -172.4 | 178.3 | -179.1 | 0 | 108.5 | G93 P97 | G93-K95 PolarHBondContact O-N 2.84Å; K95-P97 WeakPolarHBondContact O-CD 3Å | ||
| 96 | F | 29.6 | Very low | 34.9 | Very low | 189 Ų | 189 | 133.2 Ų | 133.2 | 83% | 0.829 | 76% | 0.764 | S | S | * | * | trans | -56.6 | 118.7 | 151.7 | -94.1 | -96.2 | 0 | 0 | 0 | 107.2 | K94 | K94-F96 VanDerWaalsContact C-N 3.28Å; K94-F96 PolarHBondContact O-N 3.41Å; K94-F96 VanDerWaalsContact O-N 3.14Å | ||
| 97 | P | 40.6 | Very low | 34.8 | Very low | 107 Ų | 107 | 133.5 Ų | 133.5 | 70% | 0.695 | 76% | 0.763 | S | S | * | * | trans | -67.7 | 135.7 | -179.5 | 26.5 | -31.9 | 0 | 0 | 0 | 109.5 | K95 L99 | K95-P97 WeakPolarHBondContact O-CD 3Å; P97-L99 PolarHBondContact O-N 2.92Å | ||
| 98 | T | 33.4 | Very low | 34.7 | Very low | 138 Ų | 138 | 136.1 Ų | 136.1 | 85% | 0.847 | 77% | 0.767 | S | S | * | * | trans | -47.7 | 96.7 | 168.6 | -53.9 | 0 | 0 | 0 | 0 | 109.9 | S100 | T98-S100 VanDerWaalsContact C-N 3.26Å; T98-S100 PolarHBondContact O-N 2.93Å | ||
| 99 | L | 37.4 | Very low | 34.8 | Very low | 136 Ų | 136 | 136.6 Ų | 136.6 | 71% | 0.712 | 77% | 0.772 | S | S | * | * | trans | -72.8 | 89 | 170.5 | -117.8 | 151.6 | 0 | 0 | 0 | 106.8 | P97 A101 | P97-L99 PolarHBondContact O-N 2.92Å; L99-A101 HydrophobicContact CD2-CB 4.38Å; L99-A101 PolarHBondContact O-N 3.05Å | ||
| 100 | S | 30 | Very low | 35.1 | Very low | 111 Ų | 111 | 135.6 Ų | 135.6 | 78% | 0.776 | 76% | 0.761 | S | S | * | * | trans | -65.7 | 72 | 161.3 | 178.3 | 0 | 0 | 0 | 0 | 108.3 | T98 H102 | T98-S100 VanDerWaalsContact C-N 3.26Å; T98-S100 PolarHBondContact O-N 2.93Å; S100-H102 PolarHBondContact O-N 3.11Å | ||
| 101 | A | 36.9 | Very low | 35.3 | Very low | 62 Ų | 62 | 132.8 Ų | 132.8 | 51% | 0.512 | 75% | 0.75 | S | S | . | * | trans | -79.9 | 96.8 | 170.4 | 0 | 0 | 0 | 0 | 0 | 107.8 | L99 C103 | L99-A101 HydrophobicContact CD2-CB 4.38Å; L99-A101 PolarHBondContact O-N 3.05Å; A101-C103 PolarHBondContact O-N 2.75Å | ||
| 102 | H | 31.8 | Very low | 36 | Very low | 178 Ų | 178 | 140.4 Ų | 140.4 | 82% | 0.824 | 76% | 0.757 | S | S | * | * | trans | -60.2 | 82.6 | 167.6 | -146.3 | 0.8 | 0 | 0 | 0 | 107.4 | S100 D104 | S100-H102 PolarHBondContact O-N 3.11Å; H102-D104 PolarHBondContact O-N 2.88Å | ||
| 103 | C | 35 | Very low | 36.5 | Very low | 90 Ų | 90 | 135.6 Ų | 135.6 | 61% | 0.608 | 74% | 0.743 | S | S | * | * | trans | -84 | 94.7 | 175.2 | -62.6 | 0 | 0 | 0 | 0 | 107.4 | A101 | A101-C103 PolarHBondContact O-N 2.75Š| ||
| 104 | D | 35 | Very low | 37.2 | Very low | 137 Ų | 137 | 136.1 Ų | 136.1 | 73% | 0.733 | 73% | 0.73 | S | S | * | * | trans | -47.1 | 145.8 | 164.4 | -118.9 | -64.9 | 0 | 0 | 0 | 111.2 | H102 D106 | H102-D104 PolarHBondContact O-N 2.88Å; D104-D106 PolarHBondContact O-N 3.13Å | ||
| 105 | E | 37.6 | Very low | 37.9 | Very low | 184 Ų | 184 | 130.6 Ų | 130.6 | 86% | 0.86 | 72% | 0.716 | S | S | * | * | trans | -65.9 | 104.5 | -175 | -66 | -175.8 | 118.9 | 0 | 0 | 111.7 | ||||
| 106 | D | 38.4 | Very low | 38.6 | Very low | 147 Ų | 147 | 127.3 Ų | 127.3 | 79% | 0.786 | 71% | 0.708 | S | S | * | * | trans | -127.9 | 97.4 | 164.4 | -87.4 | -46.5 | 0 | 0 | 0 | 110.9 | D104 | D104-D106 PolarHBondContact O-N 3.13Š| ||
| 107 | V | 42.1 | Very low | 39.1 | Very low | 127 Ų | 127 | 124.5 Ų | 124.5 | 77% | 0.77 | 70% | 0.701 | S | S | * | * | trans | 54 | 80.3 | 148.5 | -165.5 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 108 | M | 37.8 | Very low | 39.2 | Very low | 171 Ų | 171 | 125.5 Ų | 125.5 | 84% | 0.842 | 70% | 0.7 | S | S | * | * | trans | -60.7 | 127.4 | 158.7 | -69.2 | -166.2 | -70.2 | 0 | 0 | 108.8 | V110 | M108-V110 PolarHBondContact O-N 2.74Š| ||
| 109 | P | 41.1 | Very low | 39.5 | Very low | 116 Ų | 116 | 121.6 Ų | 121.6 | 75% | 0.753 | 68% | 0.682 | S | S | * | * | trans | -64.6 | 106.5 | 174.5 | 25.6 | -31.6 | 0 | 0 | 0 | 108 | P111 | P109-P111 VanDerWaalsContact O-CD 3.22Å; P109-P111 WeakPolarHBondContact O-CD 3.43Å; P109-P111 VanDerWaalsContact O-N 3.08Å | ||
| 110 | V | 38.5 | Very low | 39.7 | Very low | 100 Ų | 100 | 121.5 Ų | 121.5 | 61% | 0.606 | 69% | 0.689 | S | S | * | * | trans | -58.3 | 116.1 | 178.2 | 176 | 0 | 0 | 0 | 0 | 107.7 | M108 R112 L114 | M108-V110 PolarHBondContact O-N 2.74Å; V110-R112 PolarHBondContact O-N 3.3Å; V110-L114 HydrophobicContact CG1-CB 3.55Å; V110-L114 HydrophobicContact CG1-CD1 4.05Å; V110-L114 HydrophobicContact CG1-CG 4.46Å | ||
| 111 | P | 39.9 | Very low | 40 | Very low | 79 Ų | 79 | 119.6 Ų | 119.6 | 51% | 0.513 | 69% | 0.687 | S | S | . | * | trans | -59.1 | 136.1 | 178.7 | 20.6 | -30.2 | 0 | 0 | 0 | 108.8 | P109 A113 L114 | P109-P111 VanDerWaalsContact O-CD 3.22Å; P109-P111 WeakPolarHBondContact O-CD 3.43Å; P109-P111 VanDerWaalsContact O-N 3.08Å; P111-A113 PolarHBondContact O-N 3.2Å; P111-L114 HydrophobicContact CG-CD1 4.13Å; P111-L114 PolarHBondContact O-N 2.79Å | ||
| 112 | R | 45.5 | Very low | 40.1 | Very low | 230 Ų | 230 | 125.4 Ų | 125.4 | 87% | 0.868 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -49.2 | -22.8 | -179.2 | -75.5 | -178 | 174.5 | 161.8 | -1.4 | 113.9 | V110 L114 S115 | V110-R112 PolarHBondContact O-N 3.3Å; R112-L114 VanDerWaalsContact C-N 3.27Å; R112-L114 PolarHBondContact O-N 2.81Å; R112-S115 WeakPolarHBondContact O-CB 2.91Å; R112-S115 PolarHBondContact O-N 3.02Å; R112-S115 VanDerWaalsContact O-N 3.15Å |
| 113 | A | 42.7 | Very low | 40.9 | Very low | 77 Ų | 77 | 122.2 Ų | 122.2 | 64% | 0.636 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -57.9 | -34.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | P111 | P111-A113 PolarHBondContact O-N 3.2Å |
| 114 | L | 43.5 | Very low | 41.1 | Very low | 76 Ų | 76 | 120.5 Ų | 120.5 | 40% | 0.398 | 69% | 0.691 | S | S | . | * | H | α-helix | trans | -78.3 | -22.1 | 176.6 | -83.6 | 164.1 | 0 | 0 | 0 | 113.1 | V110 P111 R112 N116 L117 L118 | V110-L114 HydrophobicContact CG1-CB 3.55Å; V110-L114 HydrophobicContact CG1-CD1 4.05Å; V110-L114 HydrophobicContact CG1-CG 4.46Å; P111-L114 HydrophobicContact CG-CD1 4.13Å; P111-L114 PolarHBondContact O-N 2.79Å; R112-L114 VanDerWaalsContact C-N 3.27Å; R112-L114 PolarHBondContact O-N 2.81Å; L114-N116 PolarHBondContact O-N 2.85Å; L114-L117 HydrophobicContact CD2-CB 4.41Å; L114-L117 PolarHBondContact O-N 2.93Å; L114-L118 WeakPolarHBondContact O-CD1 3.46Å; L114-L118 PolarHBondContact O-N 2.73Å |
| 115 | S | 48.8 | Very low | 41.5 | Very low | 83 Ų | 83 | 123 Ų | 123 | 58% | 0.58 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -61.2 | -31.9 | 174.9 | -171.7 | 0 | 0 | 0 | 0 | 112 | R112 | R112-S115 WeakPolarHBondContact O-CB 2.91Å; R112-S115 PolarHBondContact O-N 3.02Å; R112-S115 VanDerWaalsContact O-N 3.15Å |
| 116 | N | 44.2 | Very low | 41.5 | Very low | 135 Ų | 135 | 123.5 Ų | 123.5 | 72% | 0.722 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.7 | -20.7 | 176.2 | -71.8 | -19 | 0 | 0 | 0 | 112.7 | L114 | L114-N116 PolarHBondContact O-N 2.85Š|
| 117 | L | 41.7 | Very low | 41.8 | Very low | 130 Ų | 130 | 119.5 Ų | 119.5 | 68% | 0.681 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84 | -27.1 | 172.8 | -121 | 92.5 | 0 | 0 | 0 | 112.4 | L114 A119 | L114-L117 HydrophobicContact CD2-CB 4.41Å; L114-L117 PolarHBondContact O-N 2.93Å; L117-A119 PolarHBondContact O-N 3.3Å |
| 118 | L | 43 | Very low | 41.7 | Very low | 129 Ų | 129 | 121 Ų | 121 | 68% | 0.675 | 68% | 0.675 | S | S | * | * | trans | -79.8 | 15.6 | 171.1 | -93.3 | 90.3 | 0 | 0 | 0 | 113.3 | L114 P120 | L114-L118 WeakPolarHBondContact O-CD1 3.46Å; L114-L118 PolarHBondContact O-N 2.73Å; L118-P120 WeakPolarHBondContact O-CD 3.41Å; L118-P120 VanDerWaalsContact O-N 3.14Å | ||
| 119 | A | 38.8 | Very low | 41.9 | Very low | 56 Ų | 56 | 116 Ų | 116 | 46% | 0.463 | 66% | 0.658 | S | S | . | * | S | Bend | trans | -63 | 114 | 162.6 | 0 | 0 | 0 | 0 | 0 | 108.1 | L117 G121 | L117-A119 PolarHBondContact O-N 3.3Å; A119-G121 VanDerWaalsContact C-N 3.33Å; A119-G121 PolarHBondContact O-N 3.46Å |
| 120 | P | 41.2 | Very low | 42.2 | Very low | 134 Ų | 134 | 114 Ų | 114 | 87% | 0.87 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.6 | 92.3 | -176.5 | 28.5 | -33 | 0 | 0 | 0 | 108.7 | L118 | L118-P120 WeakPolarHBondContact O-CD 3.41Å; L118-P120 VanDerWaalsContact O-N 3.14Å |
| 121 | G | 37.4 | Very low | 42.5 | Very low | 70 Ų | 70 | 114.2 Ų | 114.2 | 72% | 0.722 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -179.1 | -20.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | A119 | A119-G121 VanDerWaalsContact C-N 3.33Å; A119-G121 PolarHBondContact O-N 3.46Å |
| 122 | K | 38.4 | Very low | 42.8 | Very low | 185 Ų | 185 | 118.1 Ų | 118.1 | 80% | 0.804 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -113.6 | -10.9 | -178.9 | -72.1 | -173.5 | 177.2 | -178.6 | 0 | 115.9 | G124 F125 | K122-G124 PolarHBondContact O-N 3.32Å; K122-F125 PolarHBondContact O-N 2.95Å |
| 123 | V | 47.9 | Very low | 42.8 | Very low | 111 Ų | 111 | 115 Ų | 115 | 67% | 0.673 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -69.3 | -16.2 | -179.6 | -72.3 | 0 | 0 | 0 | 0 | 114.2 | F125 | V123-F125 PolarHBondContact O-N 2.82Å |
| 124 | G | 38.9 | Very low | 43 | Very low | 54 Ų | 54 | 120.8 Ų | 120.8 | 56% | 0.557 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -74.4 | -20.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | K122 | K122-G124 PolarHBondContact O-N 3.32Å |
| 125 | F | 44.8 | Very low | 43 | Very low | 189 Ų | 189 | 123.1 Ų | 123.1 | 83% | 0.829 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -94.3 | -24.2 | -171.4 | -124.4 | -92.8 | 0 | 0 | 0 | 114.2 | K122 V123 | K122-F125 PolarHBondContact O-N 2.95Å; V123-F125 PolarHBondContact O-N 2.82Å |
| 126 | W | 37.6 | Very low | 42.7 | Very low | 194 Ų | 194 | 125.2 Ų | 125.2 | 74% | 0.735 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -87.2 | -31.7 | -176.7 | -140.2 | 69.5 | 0 | 0 | 0 | 113.2 | H128 S129 I130 | W126-H128 VanDerWaalsContact C-N 3.34Å; W126-H128 PolarHBondContact O-N 2.8Å; W126-S129 PolarHBondContact O-N 3.14Å; W126-I130 HydrophobicContact CD2-CD1 4.08Å; W126-I130 HydrophobicContact CE3-CD1 3.42Å; W126-I130 VanDerWaalsContact CE3-CD1 3.42Å; W126-I130 HydrophobicContact CH2-CD1 3.44Å; W126-I130 VanDerWaalsContact CH2-CD1 3.44Å; W126-I130 HydrophobicContact CZ2-CD1 4.06Å; W126-I130 HydrophobicContact CZ3-CD1 3.08Å; W126-I130 HydrophobicContact CZ3-CG1 4.44Å |
| 127 | A | 44.9 | Very low | 42.6 | Very low | 64 Ų | 64 | 124.6 Ų | 124.6 | 53% | 0.529 | 69% | 0.692 | S | S | . | * | H | α-helix | trans | -64.8 | -36.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 128 | H | 39.5 | Very low | 42.7 | Very low | 157 Ų | 157 | 124.3 Ų | 124.3 | 73% | 0.727 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -74.7 | -25.1 | 179.5 | -90.5 | 127.4 | 0 | 0 | 0 | 114.3 | W126 | W126-H128 VanDerWaalsContact C-N 3.34Å; W126-H128 PolarHBondContact O-N 2.8Å |
| 129 | S | 42.6 | Very low | 42.7 | Very low | 68 Ų | 68 | 124 Ų | 124 | 48% | 0.476 | 69% | 0.693 | S | S | . | * | H | α-helix | trans | -78.9 | -27.1 | 179.8 | -164.7 | 0 | 0 | 0 | 0 | 112.9 | W126 | W126-S129 PolarHBondContact O-N 3.14Å |
| 130 | I | 46.8 | Very low | 42.9 | Very low | 73 Ų | 73 | 128.5 Ų | 128.5 | 37% | 0.374 | 71% | 0.709 | S | S | . | * | H | α-helix | trans | -80.7 | -36.5 | -179.8 | -78 | 171.4 | 0 | 0 | 0 | 112.1 | W126 L132 Q133 I134 | W126-I130 HydrophobicContact CD2-CD1 4.08Å; W126-I130 HydrophobicContact CE3-CD1 3.42Å; W126-I130 VanDerWaalsContact CE3-CD1 3.42Å; W126-I130 HydrophobicContact CH2-CD1 3.44Å; W126-I130 VanDerWaalsContact CH2-CD1 3.44Å; W126-I130 HydrophobicContact CZ2-CD1 4.06Å; W126-I130 HydrophobicContact CZ3-CD1 3.08Å; W126-I130 HydrophobicContact CZ3-CG1 4.44Å; I130-L132 PolarHBondContact O-N 2.82Å; I130-Q133 PolarHBondContact O-N 3.27Å; I130-I134 HydrophobicContact CG2-CD1 4.17Å |
| 131 | C | 44.8 | Very low | 43 | Very low | 104 Ų | 104 | 128.1 Ų | 128.1 | 70% | 0.703 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.1 | -15.6 | 178.7 | -73.2 | 0 | 0 | 0 | 0 | 114 | ||
| 132 | L | 45.8 | Very low | 43.5 | Very low | 161 Ų | 161 | 132.6 Ų | 132.6 | 84% | 0.843 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.5 | -2.6 | 176.1 | -144.7 | 75.3 | 0 | 0 | 0 | 113.6 | I130 | I130-L132 PolarHBondContact O-N 2.82Š|
| 133 | Q | 46.4 | Very low | 43.9 | Very low | 164 Ų | 164 | 128.3 Ų | 128.3 | 77% | 0.766 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.9 | 2.2 | -175 | -142.3 | 114.2 | 23.5 | 0 | 0 | 114.4 | I130 | I130-Q133 PolarHBondContact O-N 3.27Š|
| 134 | I | 46.9 | Very low | 43.5 | Very low | 200 Ų | 200 | 129.8 Ų | 129.8 | 100% | 1.026 | 69% | 0.688 | S | S | * | * | trans | -111.9 | 0 | 169.5 | -63.6 | 174.7 | 0 | 0 | 0 | 107.6 | I130 | I130-I134 HydrophobicContact CG2-CD1 4.17Š|
Retrieved 134 of 134 residues in 92.8 ms
(Link to these results)