| 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 | 53.3 | Low | 62.8 | Low | 235 Ų | 235 | 119.6 Ų | 119.6 | 100% | 1.158 | 63% | 0.634 | S | S | * | * | 0 | -31.5 | 0 | -73 | 171.5 | 123.9 | 0 | 0 | 114.5 | T3 | M1-T3 PolarHBondContact O-N 2.71Š| |||
| 2 | G | 56.2 | Low | 63.5 | Low | 59 Ų | 59 | 118.7 Ų | 118.7 | 61% | 0.608 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -69.3 | -15.4 | -170.5 | 0 | 0 | 0 | 0 | 0 | 118.7 | Q6 | G2-Q6 WeakPolarHBondContact O-CB 3.49Å; G2-Q6 PolarHBondContact O-N 3.14Å |
| 3 | T | 58.5 | Low | 64.2 | Low | 122 Ų | 122 | 119.9 Ų | 119.9 | 75% | 0.748 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -69.1 | -39.3 | -170.4 | 44.2 | 0 | 0 | 0 | 0 | 114.5 | M1 Q6 A7 | M1-T3 PolarHBondContact O-N 2.71Å; T3-Q6 PolarHBondContact O-N 3.19Å; T3-A7 PolarHBondContact O-N 3.22Å; T3-A7 VanDerWaalsContact O-N 3.14Å |
| 4 | K | 58.5 | Low | 65 | Low | 153 Ų | 153 | 119.5 Ų | 119.5 | 67% | 0.665 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -69.4 | -50.4 | -176.3 | -162.5 | 176.9 | 178.6 | -179.8 | 0 | 111.8 | Q6 A7 D8 | K4-Q6 PolarHBondContact O-N 3.16Å; K4-A7 WeakPolarHBondContact O-CA 3.42Å; K4-A7 WeakPolarHBondContact O-CB 3.33Å; K4-A7 PolarHBondContact O-N 2.59Å; K4-D8 VanDerWaalsContact O-CG 3.24Å; K4-D8 PolarHBondContact O-N 3.1Å |
| 5 | A | 60.1 | Low | 65.5 | Low | 56 Ų | 56 | 120.5 Ų | 120.5 | 46% | 0.463 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -60.2 | -30.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | R9 | A5-R9 WeakPolarHBondContact O-CB 2.96Å; A5-R9 VanDerWaalsContact O-CG 3.31Å; A5-R9 WeakPolarHBondContact O-CG 3.38Å; A5-R9 PolarHBondContact O-N 2.8Å |
| 6 | Q | 57.1 | Low | 65.8 | Low | 122 Ų | 122 | 118 Ų | 118 | 57% | 0.57 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -68 | -38.9 | 172.8 | -167.6 | 83.6 | -23.4 | 0 | 0 | 111.7 | G2 T3 K4 K10 | G2-Q6 WeakPolarHBondContact O-CB 3.49Å; G2-Q6 PolarHBondContact O-N 3.14Å; T3-Q6 PolarHBondContact O-N 3.19Å; K4-Q6 PolarHBondContact O-N 3.16Å; Q6-K10 WeakPolarHBondContact O-CG 3.37Å; Q6-K10 PolarHBondContact O-N 2.85Å |
| 7 | A | 66 | Low | 65.8 | Low | 55 Ų | 55 | 116.6 Ų | 116.6 | 46% | 0.455 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -71 | -46.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | T3 K4 R9 K10 L11 | T3-A7 PolarHBondContact O-N 3.22Å; T3-A7 VanDerWaalsContact O-N 3.14Å; K4-A7 WeakPolarHBondContact O-CA 3.42Å; K4-A7 WeakPolarHBondContact O-CB 3.33Å; K4-A7 PolarHBondContact O-N 2.59Å; A7-R9 VanDerWaalsContact C-N 3.33Å; A7-R9 PolarHBondContact O-N 3.49Å; A7-K10 WeakPolarHBondContact O-CB 3.4Å; A7-K10 PolarHBondContact O-N 2.89Å; A7-K10 VanDerWaalsContact O-N 3.08Å; A7-L11 PolarHBondContact O-N 2.93Å |
| 8 | D | 67.3 | Low | 65.7 | Low | 86 Ų | 86 | 113.3 Ų | 113.3 | 46% | 0.46 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -61.1 | -40.9 | 179.4 | -58.7 | -31.9 | 0 | 0 | 0 | 111.2 | K4 L11 L12 | K4-D8 VanDerWaalsContact O-CG 3.24Å; K4-D8 PolarHBondContact O-N 3.1Å; D8-L11 PolarHBondContact O-N 2.8Å; D8-L12 WeakPolarHBondContact O-CB 3.43Å; D8-L12 PolarHBondContact O-N 2.99Å |
| 9 | R | 69.6 | Low | 65.5 | Low | 184 Ų | 184 | 112.9 Ų | 112.9 | 69% | 0.694 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -63.2 | -39.8 | 172.5 | -79.7 | -179.3 | 174.1 | -166.5 | -2 | 113 | A5 A7 H13 | A5-R9 WeakPolarHBondContact O-CB 2.96Å; A5-R9 VanDerWaalsContact O-CG 3.31Å; A5-R9 WeakPolarHBondContact O-CG 3.38Å; A5-R9 PolarHBondContact O-N 2.8Å; A7-R9 VanDerWaalsContact C-N 3.33Å; A7-R9 PolarHBondContact O-N 3.49Å; R9-H13 WeakPolarHBondContact O-CB 3.4Å; R9-H13 PolarHBondContact O-N 2.67Å |
| 10 | K | 71.9 | Confident | 65 | Low | 139 Ų | 139 | 112 Ų | 112 | 60% | 0.604 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -66.1 | -41.8 | 174.7 | -79.3 | -175.7 | 174.5 | -168.9 | 0 | 111.6 | Q6 A7 H13 L14 | Q6-K10 WeakPolarHBondContact O-CG 3.37Å; Q6-K10 PolarHBondContact O-N 2.85Å; A7-K10 WeakPolarHBondContact O-CB 3.4Å; A7-K10 PolarHBondContact O-N 2.89Å; A7-K10 VanDerWaalsContact O-N 3.08Å; K10-H13 PolarHBondContact O-N 3.06Å; K10-L14 WeakPolarHBondContact O-CB 3.44Å; K10-L14 PolarHBondContact O-N 2.94Å |
| 11 | L | 72.3 | Confident | 64.6 | Low | 105 Ų | 105 | 111.6 Ų | 111.6 | 55% | 0.55 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -65.4 | -42.1 | 178.9 | -162.3 | 73 | 0 | 0 | 0 | 111.2 | A7 D8 L14 F15 | A7-L11 PolarHBondContact O-N 2.93Å; D8-L11 PolarHBondContact O-N 2.8Å; L11-L14 PolarHBondContact O-N 2.86Å; L11-F15 PolarHBondContact O-N 2.8Å |
| 12 | L | 71.4 | Confident | 64.3 | Low | 108 Ų | 108 | 104.3 Ų | 104.3 | 57% | 0.565 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -62.9 | -42.5 | 172.5 | -177 | 64 | 0 | 0 | 0 | 111.8 | D8 L14 F15 I16 | D8-L12 WeakPolarHBondContact O-CB 3.43Å; D8-L12 PolarHBondContact O-N 2.99Å; L12-L14 VanDerWaalsContact C-N 3.35Å; L12-L14 PolarHBondContact O-N 3.37Å; L12-F15 PolarHBondContact O-N 3.37Å; L12-I16 HydrophobicContact CD1-CD1 4.11Å; L12-I16 HydrophobicContact CD1-CG1 4.42Å; L12-I16 HydrophobicContact CG-CD1 3.92Å; L12-I16 WeakPolarHBondContact O-CB 3.49Å; L12-I16 VanDerWaalsContact O-CG1 3.32Å; L12-I16 WeakPolarHBondContact O-CG1 3.41Å; L12-I16 PolarHBondContact O-N 3Å |
| 13 | H | 72.1 | Confident | 64 | Low | 135 Ų | 135 | 104.7 Ų | 104.7 | 63% | 0.625 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -61.8 | -41.7 | 174.4 | -117.2 | -72.2 | 0 | 0 | 0 | 112.1 | R9 K10 I16 L17 | R9-H13 WeakPolarHBondContact O-CB 3.4Å; R9-H13 PolarHBondContact O-N 2.67Å; K10-H13 PolarHBondContact O-N 3.06Å; H13-I16 PolarHBondContact O-N 2.8Å; H13-L17 VanDerWaalsContact O-CB 3.31Å; H13-L17 WeakPolarHBondContact O-CB 3.31Å; H13-L17 PolarHBondContact O-N 3.49Å |
| 14 | L | 75.6 | Confident | 63.7 | Low | 114 Ų | 114 | 105.5 Ų | 105.5 | 60% | 0.597 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -65.5 | -39.1 | 175.2 | -88.4 | 152.5 | 0 | 0 | 0 | 112.1 | K10 L11 L12 L17 A18 | K10-L14 WeakPolarHBondContact O-CB 3.44Å; K10-L14 PolarHBondContact O-N 2.94Å; L11-L14 PolarHBondContact O-N 2.86Å; L12-L14 VanDerWaalsContact C-N 3.35Å; L12-L14 PolarHBondContact O-N 3.37Å; L14-L17 PolarHBondContact O-N 2.98Å; L14-A18 VanDerWaalsContact O-CB 3.24Å; L14-A18 WeakPolarHBondContact O-CB 3.44Å; L14-A18 PolarHBondContact O-N 3.03Å |
| 15 | F | 72.9 | Confident | 63.1 | Low | 134 Ų | 134 | 101.9 Ų | 101.9 | 59% | 0.588 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -64.7 | -45.3 | 173.1 | -110 | -87.8 | 0 | 0 | 0 | 112 | L11 L12 L17 A18 I19 | L11-F15 PolarHBondContact O-N 2.8Å; L12-F15 PolarHBondContact O-N 3.37Å; F15-L17 VanDerWaalsContact C-N 3.35Å; F15-A18 PolarHBondContact O-N 3.38Å; F15-I19 HydrophobicContact CD1-CD1 4.47Å; F15-I19 WeakPolarHBondContact O-CB 3.43Å; F15-I19 WeakPolarHBondContact O-CD1 3.32Å; F15-I19 VanDerWaalsContact O-CG1 3.24Å; F15-I19 WeakPolarHBondContact O-CG1 3.29Å; F15-I19 PolarHBondContact O-N 3.49Å |
| 16 | I | 69.8 | Low | 62.8 | Low | 81 Ų | 81 | 105.9 Ų | 105.9 | 42% | 0.415 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -64.2 | -41.1 | 176.6 | -70.6 | 168.9 | 0 | 0 | 0 | 110.5 | L12 H13 I19 L20 | L12-I16 HydrophobicContact CD1-CD1 4.11Å; L12-I16 HydrophobicContact CD1-CG1 4.42Å; L12-I16 HydrophobicContact CG-CD1 3.92Å; L12-I16 WeakPolarHBondContact O-CB 3.49Å; L12-I16 VanDerWaalsContact O-CG1 3.32Å; L12-I16 WeakPolarHBondContact O-CG1 3.41Å; L12-I16 PolarHBondContact O-N 3Å; H13-I16 PolarHBondContact O-N 2.8Å; I16-I19 PolarHBondContact O-N 2.79Å; I16-L20 HydrophobicContact CG2-CD1 3.9Å; I16-L20 WeakPolarHBondContact O-CB 3.07Å; I16-L20 PolarHBondContact O-N 3.07Å |
| 17 | L | 66.4 | Low | 62.9 | Low | 95 Ų | 95 | 102.5 Ų | 102.5 | 50% | 0.497 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -65.2 | -41 | 175.1 | -145.7 | 80.7 | 0 | 0 | 0 | 111.4 | H13 L14 F15 L20 L21 | H13-L17 VanDerWaalsContact O-CB 3.31Å; H13-L17 WeakPolarHBondContact O-CB 3.31Å; H13-L17 PolarHBondContact O-N 3.49Å; L14-L17 PolarHBondContact O-N 2.98Å; F15-L17 VanDerWaalsContact C-N 3.35Å; L17-L20 PolarHBondContact O-N 2.9Å; L17-L21 HydrophobicContact CD2-CD1 4.32Å; L17-L21 HydrophobicContact CG-CD1 4.25Å; L17-L21 VanDerWaalsContact O-CB 3.28Å; L17-L21 WeakPolarHBondContact O-CB 3.33Å; L17-L21 WeakPolarHBondContact O-CD1 3.49Å; L17-L21 WeakPolarHBondContact O-CG 3.47Å; L17-L21 PolarHBondContact O-N 2.73Å |
| 18 | A | 64 | Low | 63.3 | Low | 56 Ų | 56 | 104.6 Ų | 104.6 | 46% | 0.463 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -65.8 | -36.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | L14 F15 C22 | L14-A18 VanDerWaalsContact O-CB 3.24Å; L14-A18 WeakPolarHBondContact O-CB 3.44Å; L14-A18 PolarHBondContact O-N 3.03Å; F15-A18 PolarHBondContact O-N 3.38Å; A18-C22 WeakPolarHBondContact O-CB 3.46Å; A18-C22 PolarHBondContact O-N 2.59Å |
| 19 | I | 61.2 | Low | 64.3 | Low | 107 Ų | 107 | 102.2 Ų | 102.2 | 55% | 0.549 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -67.7 | -43.3 | 174.2 | -70.1 | 162.8 | 0 | 0 | 0 | 110.8 | F15 I16 C22 S23 | F15-I19 HydrophobicContact CD1-CD1 4.47Å; F15-I19 WeakPolarHBondContact O-CB 3.43Å; F15-I19 WeakPolarHBondContact O-CD1 3.32Å; F15-I19 VanDerWaalsContact O-CG1 3.24Å; F15-I19 WeakPolarHBondContact O-CG1 3.29Å; F15-I19 PolarHBondContact O-N 3.49Å; I16-I19 PolarHBondContact O-N 2.79Å; I19-C22 PolarHBondContact O-N 3.04Å; I19-S23 PolarHBondContact O-N 3.44Å; I19-S23 PolarHBondContact O-OG 3.44Å |
| 20 | L | 55.8 | Low | 65.4 | Low | 94 Ų | 94 | 95.9 Ų | 95.9 | 49% | 0.492 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -65.6 | -39.4 | 175 | -91.8 | 149.9 | 0 | 0 | 0 | 112.9 | I16 L17 S23 L24 | I16-L20 HydrophobicContact CG2-CD1 3.9Å; I16-L20 WeakPolarHBondContact O-CB 3.07Å; I16-L20 PolarHBondContact O-N 3.07Å; L17-L20 PolarHBondContact O-N 2.9Å; L20-S23 PolarHBondContact O-OG 3.4Å; L20-L24 WeakPolarHBondContact O-CB 3.37Å; L20-L24 VanDerWaalsContact O-CG 3.26Å; L20-L24 WeakPolarHBondContact O-CG 3.21Å; L20-L24 PolarHBondContact O-N 2.9Å |
| 21 | L | 56.7 | Low | 66.6 | Low | 104 Ų | 104 | 90.2 Ų | 90.2 | 55% | 0.545 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -70.8 | -33.4 | 174.3 | -71.1 | 166.8 | 0 | 0 | 0 | 111.4 | L17 L24 A25 | L17-L21 HydrophobicContact CD2-CD1 4.32Å; L17-L21 HydrophobicContact CG-CD1 4.25Å; L17-L21 VanDerWaalsContact O-CB 3.28Å; L17-L21 WeakPolarHBondContact O-CB 3.33Å; L17-L21 WeakPolarHBondContact O-CD1 3.49Å; L17-L21 WeakPolarHBondContact O-CG 3.47Å; L17-L21 PolarHBondContact O-N 2.73Å; L21-L24 PolarHBondContact O-N 3.22Å; L21-A25 WeakPolarHBondContact O-CB 3.2Å; L21-A25 PolarHBondContact O-N 3.19Å |
| 22 | C | 47 | Very low | 67.7 | Low | 82 Ų | 82 | 90 Ų | 90 | 55% | 0.554 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -69.5 | -40.3 | 173.6 | -170.7 | 0 | 0 | 0 | 0 | 111.8 | A18 I19 L24 A25 L26 | A18-C22 WeakPolarHBondContact O-CB 3.46Å; A18-C22 PolarHBondContact O-N 2.59Å; I19-C22 PolarHBondContact O-N 3.04Å; C22-L24 VanDerWaalsContact C-N 3.31Å; C22-L24 PolarHBondContact O-N 3.41Å; C22-A25 CarbonylContact O-C 3.55Å; C22-A25 WeakPolarHBondContact O-CA 3.36Å; C22-A25 PolarHBondContact O-N 3.44Å; C22-L26 PolarHBondContact O-N 2.87Å |
| 23 | S | 50.7 | Low | 68.9 | Low | 66 Ų | 66 | 85.9 Ų | 85.9 | 46% | 0.462 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -74 | -20.1 | 174.8 | 61.2 | 0 | 0 | 0 | 0 | 113.7 | I19 L20 | I19-S23 PolarHBondContact O-N 3.44Å; I19-S23 PolarHBondContact O-OG 3.44Å; L20-S23 PolarHBondContact O-OG 3.4Å |
| 24 | L | 51.3 | Low | 70 | Confident | 139 Ų | 139 | 84.5 Ų | 84.5 | 73% | 0.728 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -81 | -20 | 163.8 | -71 | 167.6 | 0 | 0 | 0 | 113.2 | L20 L21 C22 | L20-L24 WeakPolarHBondContact O-CB 3.37Å; L20-L24 VanDerWaalsContact O-CG 3.26Å; L20-L24 WeakPolarHBondContact O-CG 3.21Å; L20-L24 PolarHBondContact O-N 2.9Å; L21-L24 PolarHBondContact O-N 3.22Å; C22-L24 VanDerWaalsContact C-N 3.31Å; C22-L24 PolarHBondContact O-N 3.41Å |
| 25 | A | 46.5 | Very low | 70.9 | Confident | 77 Ų | 77 | 83.7 Ų | 83.7 | 64% | 0.636 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -95.4 | -0.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | L21 C22 G27 | L21-A25 WeakPolarHBondContact O-CB 3.2Å; L21-A25 PolarHBondContact O-N 3.19Å; C22-A25 CarbonylContact O-C 3.55Å; C22-A25 WeakPolarHBondContact O-CA 3.36Å; C22-A25 PolarHBondContact O-N 3.44Å; A25-G27 PolarHBondContact O-N 3.12Å |
| 26 | L | 54 | Low | 72 | Confident | 140 Ų | 140 | 81.8 Ų | 81.8 | 73% | 0.733 | 49% | 0.494 | S | S | * | . | S | Bend | trans | -65.4 | 83.3 | 154.5 | -78.6 | 167.7 | 0 | 0 | 0 | 107.3 | C22 S28 | C22-L26 PolarHBondContact O-N 2.87Å; L26-S28 PolarHBondContact O-N 3.4Å |
| 27 | G | 58 | Low | 73.3 | Confident | 51 Ų | 51 | 81 Ų | 81 | 53% | 0.526 | 49% | 0.488 | S | S | . | . | P | Polyproline II helix | trans | -52.8 | 120.7 | -164.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | A25 V29 | A25-G27 PolarHBondContact O-N 3.12Å; G27-V29 PolarHBondContact O-N 2.82Å |
| 28 | S | 75.1 | Confident | 74.8 | Confident | 100 Ų | 100 | 76.8 Ų | 76.8 | 70% | 0.699 | 47% | 0.466 | S | S | * | . | P | Polyproline II helix | trans | -60.3 | 124.6 | 179.8 | 49.7 | 0 | 0 | 0 | 0 | 110.3 | L26 | L26-S28 PolarHBondContact O-N 3.4Š|
| 29 | V | 88.1 | Confident | 76.4 | Confident | 35 Ų | 35 | 81 Ų | 81 | 21% | 0.212 | 47% | 0.471 | C | S | . | . | P | Polyproline II helix | trans | -69.8 | 131.8 | 178.4 | 176.3 | 0 | 0 | 0 | 0 | 109.5 | G27 S53 F55 N118 A120 | G27-V29 PolarHBondContact O-N 2.82Å; V29-S53 WeakPolarHBondContact CA-O 3.42Å; V29-F55 HydrophobicContact CG1-CD1 4.26Å; V29-F55 HydrophobicContact CG1-CD2 3.84Å; V29-F55 HydrophobicContact CG1-CE1 3.68Å; V29-F55 HydrophobicContact CG1-CE2 3.21Å; V29-F55 HydrophobicContact CG1-CG 4.34Å; V29-F55 HydrophobicContact CG1-CZ 3.13Å; V29-N118 HydrophobicContact CB-CB 4.44Å; V29-N118 HydrophobicContact CG1-CB 4.42Å; V29-N118 HydrophobicContact CG2-CB 3.69Å; V29-N118 VanDerWaalsContact CG2-CG 3.44Å; V29-A120 HydrophobicContact CG1-CB 4.31Å |
| 30 | T | 93.2 | Very high | 78.2 | Confident | 52 Ų | 52 | 77.6 Ų | 77.6 | 32% | 0.319 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 145.5 | 178.5 | 87 | 0 | 0 | 0 | 0 | 110.9 | Y52 S53 | T30-Y52 CarbonylContact O-C 3.51Å; T30-Y52 WeakPolarHBondContact O-CA 3.41Å; T30-Y52 WeakPolarHBondContact O-CB 3.48Å; T30-S53 PolarHBondContact N-O 2.72Å; T30-S53 PolarHBondContact O-N 2.82Å; T30-S53 PolarHBondContact OG1-OG 2.95Å |
| 31 | V | 95.9 | Very high | 80.2 | Confident | 20 Ų | 20 | 75 Ų | 75 | 12% | 0.121 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 127.5 | 171 | 178.2 | 0 | 0 | 0 | 0 | 106.5 | A51 F55 V111 A120 V122 | V31-A51 CarbonylContact C-O 3.55Å; V31-A51 WeakPolarHBondContact CA-O 3.3Å; V31-F55 HydrophobicContact CG2-CE2 3.77Å; V31-F55 HydrophobicContact CG2-CZ 4.08Å; V31-V111 HydrophobicContact CG1-CG2 4.05Å; V31-V111 HydrophobicContact CG2-CB 3.79Å; V31-V111 HydrophobicContact CG2-CG2 3.78Å; V31-A120 HydrophobicContact CB-CB 3.99Å; V31-A120 HydrophobicContact CG2-CB 3.51Å; V31-V122 HydrophobicContact CG1-CB 3.98Å; V31-V122 HydrophobicContact CG1-CG1 3.73Å |
| 32 | H | 95.5 | Very high | 82.1 | Confident | 101 Ų | 101 | 72.3 Ų | 72.3 | 47% | 0.468 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 158.7 | -178.4 | 61.9 | -82.2 | 0 | 0 | 0 | 111.8 | C50 A51 | H32-C50 WeakPolarHBondContact O-CA 3.3Å; H32-A51 PolarHBondContact N-O 2.77Å; H32-A51 PolarHBondContact ND1-O 2.72Å; H32-A51 PolarHBondContact O-N 3.03Å |
| 33 | S | 96.9 | Very high | 84.5 | Confident | 21 Ų | 21 | 73.6 Ų | 73.6 | 15% | 0.147 | 43% | 0.428 | C | S | . | . | trans | -106.1 | 150.3 | 170.1 | 178 | 0 | 0 | 0 | 0 | 108.9 | E35 S49 V124 | S33-E35 VanDerWaalsContact C-N 3.27Å; S33-E35 PolarHBondContact OG-N 2.88Å; S33-E35 PolarHBondContact OG-O 3.13Å; S33-S49 PolarHBondContact OG-O 2.98Å; S33-S49 PolarHBondContact OG-OG 2.95Å; S33-S49 VanDerWaalsContact OG-OG 3.07Å; S33-V124 WeakPolarHBondContact OG-CG2 3.34Å | ||
| 34 | S | 95 | Very high | 86.7 | Confident | 106 Ų | 106 | 73.8 Ų | 73.8 | 74% | 0.741 | 42% | 0.423 | S | S | * | . | S | Bend | trans | -74.7 | -21.1 | 168 | 63.2 | 0 | 0 | 0 | 0 | 112.4 | S49 | S34-S49 PolarHBondContact N-OG 2.93Å; S34-S49 PolarHBondContact OG-OG 2.8Å |
| 35 | E | 95.3 | Very high | 89 | Confident | 96 Ų | 96 | 71.1 Ų | 71.1 | 45% | 0.449 | 42% | 0.415 | S | S | . | . | trans | -143.1 | 113.4 | -178.7 | -171.5 | 163.5 | -134.8 | 0 | 0 | 110 | S33 V38 | S33-E35 VanDerWaalsContact C-N 3.27Å; S33-E35 PolarHBondContact OG-N 2.88Å; S33-E35 PolarHBondContact OG-O 3.13Å; E35-V38 HydrophobicContact CB-CG2 4.11Å; E35-V38 HydrophobicContact CG-CG2 3.87Å | ||
| 36 | P | 94.9 | Very high | 91.4 | Very high | 95 Ų | 95 | 68.1 Ų | 68.1 | 62% | 0.617 | 39% | 0.389 | S | S | * | . | S | Bend | trans | -85.5 | -23.1 | -174.9 | 32 | -34.6 | 0 | 0 | 0 | 114 | K125 | P36-K125 PolarHBondContact O-N 3.13Š|
| 37 | E | 97.7 | Very high | 93.5 | Very high | 63 Ų | 63 | 65.5 Ų | 65.5 | 29% | 0.294 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 108.8 | 167.5 | -177.6 | 175.3 | 119.6 | 0 | 0 | 109 | R39 K125 I127 | E37-R39 IonicContact OE1-CZ 3.64Å; E37-R39 IonicContact OE1-NE 2.73Å; E37-R39 PolarHBondContact OE1-NE 3.38Å; E37-R39 IonicContact OE1-NH2 3.64Å; E37-R39 PolarHBondContact OE1-NH2 2.73Å; E37-K125 CarbonylContact C-O 3.56Å; E37-K125 WeakPolarHBondContact CA-O 3.31Å; E37-K125 HydrophobicContact CB-CB 4.45Å; E37-K125 HydrophobicContact CG-CB 4.35Å; E37-K125 HydrophobicContact CG-CD 4.22Å; E37-K125 HydrophobicContact CG-CG 4.33Å; E37-K125 WeakPolarHBondContact OE2-CD 3.32Å; E37-K125 WeakPolarHBondContact OE2-CE 3.36Å; E37-K125 IonicContact OE2-NZ 3.42Å; E37-K125 PolarHBondContact OE2-NZ 2.73Å; E37-I127 HydrophobicContact CG-CD1 4.17Å; E37-I127 HydrophobicContact CG-CG1 4.5Å; E37-I127 WeakPolarHBondContact OE1-CD1 3.16Å |
| 38 | V | 98.1 | Very high | 95.4 | Very high | 7 Ų | 7 | 63.1 Ų | 63.1 | 4% | 0.042 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 131.6 | 179.4 | -177.7 | 0 | 0 | 0 | 0 | 109 | E35 V46 L48 V124 K125 L126 I127 | E35-V38 HydrophobicContact CB-CG2 4.11Å; E35-V38 HydrophobicContact CG-CG2 3.87Å; V38-V46 HydrophobicContact CG1-CG2 3.61Å; V38-L48 HydrophobicContact CB-CD2 4.3Å; V38-L48 HydrophobicContact CG1-CD2 4.46Å; V38-L48 HydrophobicContact CG2-CD2 4.06Å; V38-V124 HydrophobicContact CG2-CG1 3.73Å; V38-K125 PolarHBondContact N-O 3.15Å; V38-L126 HydrophobicContact CB-CD1 4.08Å; V38-L126 HydrophobicContact CG1-CD1 3.97Å; V38-I127 PolarHBondContact O-N 2.98Å |
| 39 | R | 97.8 | Very high | 96.5 | Very high | 145 Ų | 145 | 59.2 Ų | 59.2 | 55% | 0.547 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 120.7 | 178 | -65.1 | -175.3 | 170.5 | -130.8 | -2.4 | 110.1 | E37 I127 L129 | E37-R39 IonicContact OE1-CZ 3.64Å; E37-R39 IonicContact OE1-NE 2.73Å; E37-R39 PolarHBondContact OE1-NE 3.38Å; E37-R39 IonicContact OE1-NH2 3.64Å; E37-R39 PolarHBondContact OE1-NH2 2.73Å; R39-I127 WeakPolarHBondContact CA-O 3.26Å; R39-I127 HydrophobicContact CG-CB 4.33Å; R39-I127 HydrophobicContact CG-CD1 4.45Å; R39-L129 HydrophobicContact CB-CD1 4.35Å |
| 40 | I | 98.1 | Very high | 97 | Very high | 36 Ų | 36 | 57.6 Ų | 57.6 | 19% | 0.185 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 140.8 | -174.9 | -166.3 | 69.8 | 0 | 0 | 0 | 110.7 | N44 V46 V99 L126 I127 V128 L129 | I40-N44 HydrophobicContact CD1-CB 4.3Å; I40-N44 HydrophobicContact CG1-CB 3.89Å; I40-V46 HydrophobicContact CB-CG2 4.37Å; I40-V46 HydrophobicContact CG1-CB 4.31Å; I40-V46 HydrophobicContact CG2-CB 4.17Å; I40-V46 HydrophobicContact CG2-CG1 4.25Å; I40-V46 HydrophobicContact CG2-CG2 4.25Å; I40-V99 HydrophobicContact CG2-CG2 3.81Å; I40-L126 HydrophobicContact CG2-CD1 3.91Å; I40-I127 PolarHBondContact N-O 2.72Å; I40-I127 VanDerWaalsContact N-O 3.16Å; I40-V128 CarbonylContact O-C 3.58Å; I40-V128 VanDerWaalsContact O-CA 3.3Å; I40-V128 WeakPolarHBondContact O-CA 3.45Å; I40-L129 PolarHBondContact O-N 3.23Å |
| 41 | P | 97.9 | Very high | 97.1 | Very high | 38 Ų | 38 | 57 Ų | 57 | 25% | 0.247 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64 | 153.2 | 173 | -21.9 | 35 | 0 | 0 | 0 | 113.2 | N44 Y218 | P41-N44 WeakPolarHBondContact O-CB 3.47Å; P41-N44 PolarHBondContact O-ND2 2.82Å; P41-Y218 WeakPolarHBondContact CB-OH 3.45Å; P41-Y218 HydrophobicContact CG-CE2 4.47Å; P41-Y218 VanDerWaalsContact CG-OH 3.3Å; P41-Y218 WeakPolarHBondContact CG-OH 3.26Å |
| 42 | E | 97.1 | Very high | 97.1 | Very high | 48 Ų | 48 | 58.9 Ų | 58.9 | 22% | 0.224 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | 153.5 | 174.8 | -152 | 177.8 | -128.2 | 0 | 0 | 112.3 | N44 V99 R101 V128 L129 V130 | E42-N44 PolarHBondContact O-N 3.12Å; E42-N44 PolarHBondContact O-ND2 2.86Å; E42-V99 VanDerWaalsContact CG-O 3.32Å; E42-V99 WeakPolarHBondContact CG-O 3.37Å; E42-R101 PolarHBondContact OE1-N 3.05Å; E42-R101 IonicContact OE1-NE 3.04Å; E42-V128 HydrophobicContact CB-CG1 3.92Å; E42-V128 HydrophobicContact CG-CG1 3.96Å; E42-L129 PolarHBondContact N-O 3.37Å; E42-V130 HydrophobicContact CB-CG2 3.89Å; E42-V130 HydrophobicContact CG-CG2 4.14Å |
| 43 | N | 97.3 | Very high | 97 | Very high | 109 Ų | 109 | 56.7 Ų | 56.7 | 58% | 0.583 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.4 | 9.7 | -179.6 | -57.9 | -80.1 | 0 | 0 | 0 | 116.4 | S98 V99 | N43-S98 WeakPolarHBondContact CA-OG 3.2Å; N43-V99 PolarHBondContact N-O 2.78Å |
| 44 | N | 98.1 | Very high | 96.7 | Very high | 70 Ų | 70 | 57.7 Ų | 57.7 | 37% | 0.374 | 33% | 0.325 | S | S | . | . | trans | -98.9 | 150.4 | 177 | -73.9 | -100.9 | 0 | 0 | 0 | 111.9 | I40 P41 E42 S98 V99 | I40-N44 HydrophobicContact CD1-CB 4.3Å; I40-N44 HydrophobicContact CG1-CB 3.89Å; P41-N44 WeakPolarHBondContact O-CB 3.47Å; P41-N44 PolarHBondContact O-ND2 2.82Å; E42-N44 PolarHBondContact O-N 3.12Å; E42-N44 PolarHBondContact O-ND2 2.86Å; N44-S98 WeakPolarHBondContact O-CA 3.35Å; N44-V99 PolarHBondContact O-N 2.85Å | ||
| 45 | P | 97.9 | Very high | 96.6 | Very high | 84 Ų | 84 | 53.9 Ų | 53.9 | 55% | 0.545 | 30% | 0.295 | S | S | . | . | trans | -71.5 | 144.2 | 170.6 | 30.2 | -34.2 | 0 | 0 | 0 | 111 | F96 | P45-F96 WeakPolarHBondContact CA-O 3.38Å; P45-F96 WeakPolarHBondContact CB-O 3.45Å | ||
| 46 | V | 98.1 | Very high | 96.5 | Very high | 14 Ų | 14 | 54.8 Ų | 54.8 | 9% | 0.085 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 144.3 | 178.2 | 66.9 | 0 | 0 | 0 | 0 | 111.4 | V38 I40 T95 F96 V99 L126 | V38-V46 HydrophobicContact CG1-CG2 3.61Å; I40-V46 HydrophobicContact CB-CG2 4.37Å; I40-V46 HydrophobicContact CG1-CB 4.31Å; I40-V46 HydrophobicContact CG2-CB 4.17Å; I40-V46 HydrophobicContact CG2-CG1 4.25Å; I40-V46 HydrophobicContact CG2-CG2 4.25Å; V46-T95 CarbonylContact O-C 3.11Å; V46-T95 WeakPolarHBondContact O-CA 3.28Å; V46-F96 HydrophobicContact CG1-CB 4.06Å; V46-F96 HydrophobicContact CG1-CD2 4.32Å; V46-F96 HydrophobicContact CG1-CG 4.42Å; V46-F96 PolarHBondContact N-O 3.09Å; V46-F96 VanDerWaalsContact N-O 3.12Å; V46-F96 PolarHBondContact O-N 2.77Å; V46-V99 HydrophobicContact CG1-CG1 3.63Å; V46-V99 HydrophobicContact CG1-CG2 4.44Å; V46-L126 HydrophobicContact CG1-CD1 4.47Å; V46-L126 HydrophobicContact CG1-CD2 4.5Å |
| 47 | K | 97.9 | Very high | 96.4 | Very high | 85 Ų | 85 | 52.7 Ų | 52.7 | 37% | 0.37 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 123.4 | 174.2 | -176.9 | -177.1 | 179 | -172.3 | 0 | 110 | S92 I94 T95 | K47-S92 WeakPolarHBondContact CE-O 3.44Å; K47-S92 PolarHBondContact NZ-O 2.96Å; K47-S92 PolarHBondContact NZ-OG 2.92Å; K47-I94 CarbonylContact C-O 3.56Å; K47-I94 WeakPolarHBondContact CA-O 3.3Å; K47-T95 HydrophobicContact CB-CG2 4.27Å |
| 48 | L | 98.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 110.4 | 168.9 | -51.9 | -175 | 0 | 0 | 0 | 107.4 | V38 W62 G93 I94 F96 Y107 V124 L126 | V38-L48 HydrophobicContact CB-CD2 4.3Å; V38-L48 HydrophobicContact CG1-CD2 4.46Å; V38-L48 HydrophobicContact CG2-CD2 4.06Å; L48-W62 HydrophobicContact CB-CH2 3.74Å; L48-W62 HydrophobicContact CB-CZ3 3.95Å; L48-W62 HydrophobicContact CD1-CZ3 4.4Å; L48-W62 WeakPolarHBondContact O-CH2 3.37Å; L48-G93 CarbonylContact O-C 3.51Å; L48-G93 VanDerWaalsContact O-CA 3.26Å; L48-G93 WeakPolarHBondContact O-CA 3.17Å; L48-I94 HydrophobicContact CB-CG1 4.1Å; L48-I94 HydrophobicContact CD1-CD1 4.35Å; L48-I94 HydrophobicContact CD1-CG1 4.46Å; L48-I94 PolarHBondContact N-O 2.9Å; L48-I94 PolarHBondContact O-N 3.41Å; L48-I94 VanDerWaalsContact O-N 3.13Å; L48-F96 HydrophobicContact CD1-CE2 4.11Å; L48-F96 HydrophobicContact CG-CE2 4.49Å; L48-Y107 HydrophobicContact CD1-CD1 3.73Å; L48-Y107 HydrophobicContact CD1-CD2 3.42Å; L48-Y107 VanDerWaalsContact CD1-CD2 3.42Å; L48-Y107 HydrophobicContact CD1-CE1 4.18Å; L48-Y107 HydrophobicContact CD1-CE2 3.9Å; L48-Y107 HydrophobicContact CD1-CG 3.32Å; L48-V124 HydrophobicContact CB-CG1 4.38Å; L48-V124 HydrophobicContact CD2-CG1 4.05Å; L48-L126 HydrophobicContact CD2-CB 4.44Å; L48-L126 HydrophobicContact CD2-CD1 4.25Å; L48-L126 HydrophobicContact CD2-CD2 4.48Å |
| 49 | S | 97.7 | Very high | 96.2 | Very high | 18 Ų | 18 | 53.9 Ų | 53.9 | 13% | 0.126 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 144.3 | -174.5 | 56.9 | 0 | 0 | 0 | 0 | 112.2 | S33 S34 | S33-S49 PolarHBondContact OG-O 2.98Å; S33-S49 PolarHBondContact OG-OG 2.95Å; S33-S49 VanDerWaalsContact OG-OG 3.07Å; S34-S49 PolarHBondContact N-OG 2.93Å; S34-S49 PolarHBondContact OG-OG 2.8Å |
| 50 | C | 97.5 | Very high | 96.2 | Very high | 2 Ų | 2 | 47.1 Ų | 47.1 | 1% | 0.014 | 28% | 0.279 | C | S | . | . | trans | -147.8 | 107.8 | 170 | -177.6 | 0 | 0 | 0 | 0 | 107.1 | H32 W62 S92 C109 | H32-C50 WeakPolarHBondContact O-CA 3.3Å; C50-W62 HydrophobicContact CB-CH2 4Å; C50-W62 HydrophobicContact CB-CZ2 3.43Å; C50-W62 VanDerWaalsContact CB-CZ2 3.43Å; C50-S92 PolarHBondContact N-O 3.11Å; C50-S92 VanDerWaalsContact N-O 3.13Å; C50-S92 CarbonylContact O-C 3.6Å; C50-S92 VanDerWaalsContact O-CA 3.26Å; C50-S92 WeakPolarHBondContact O-CA 3.43Å; C50-C109 HydrophobicContact CB-CB 3.63Å; C50-C109 WeakPolarHBondContact CB-SG 3.03Å; C50-C109 WeakPolarHBondContact SG-CB 3.49Å; C50-C109 CovalentContact SG-SG 2.04Å; C50-C109 PolarHBondContact SG-SG 3.29Å | ||
| 51 | A | 96.4 | Very high | 96.2 | Very high | 39 Ų | 39 | 47 Ų | 47 | 32% | 0.322 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 136.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | V31 H32 | V31-A51 CarbonylContact C-O 3.55Å; V31-A51 WeakPolarHBondContact CA-O 3.3Å; H32-A51 PolarHBondContact N-O 2.77Å; H32-A51 PolarHBondContact ND1-O 2.72Å; H32-A51 PolarHBondContact O-N 3.03Å |
| 52 | Y | 96 | Very high | 96.2 | Very high | 59 Ų | 59 | 45.2 Ų | 45.2 | 23% | 0.231 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 155.2 | -173.7 | 57.7 | -102.1 | 0 | 0 | 0 | 112.7 | T30 F55 P58 V60 P91 V111 | T30-Y52 CarbonylContact O-C 3.51Å; T30-Y52 WeakPolarHBondContact O-CA 3.41Å; T30-Y52 WeakPolarHBondContact O-CB 3.48Å; Y52-F55 AromaticContact CD2-CD2 3.77Å; Y52-F55 HydrophobicContact CD2-CD2 3.77Å; Y52-F55 HydrophobicContact CD2-CE2 4.38Å; Y52-F55 HydrophobicContact CG-CD2 4.29Å; Y52-F55 HydrophobicContact CG-CE2 4.45Å; Y52-P58 HydrophobicContact CE2-CB 3.71Å; Y52-P58 HydrophobicContact CE2-CG 3.78Å; Y52-V60 HydrophobicContact CE1-CG2 3.67Å; Y52-P91 WeakPolarHBondContact CE1-O 3.23Å; Y52-V111 HydrophobicContact CD1-CG1 4.24Å; Y52-V111 HydrophobicContact CD1-CG2 3.85Å; Y52-V111 HydrophobicContact CD2-CG1 4.2Å; Y52-V111 HydrophobicContact CE1-CG1 4.5Å; Y52-V111 HydrophobicContact CE1-CG2 4.44Å; Y52-V111 HydrophobicContact CE2-CG1 4.46Å; Y52-V111 HydrophobicContact CG-CG1 4.08Å; Y52-V111 HydrophobicContact CG-CG2 4.2Å |
| 53 | S | 93.8 | Very high | 96.3 | Very high | 56 Ų | 56 | 45.2 Ų | 45.2 | 39% | 0.392 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 153.8 | -177.8 | 67.7 | 0 | 0 | 0 | 0 | 111.4 | V29 T30 | V29-S53 WeakPolarHBondContact CA-O 3.42Å; T30-S53 PolarHBondContact N-O 2.72Å; T30-S53 PolarHBondContact O-N 2.82Å; T30-S53 PolarHBondContact OG1-OG 2.95Å |
| 54 | G | 90.7 | Very high | 96.4 | Very high | 42 Ų | 42 | 40.2 Ų | 40.2 | 43% | 0.433 | 24% | 0.238 | S | C | . | . | S | Bend | trans | 88 | 4.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 55 | F | 91.9 | Very high | 96.3 | Very high | 26 Ų | 26 | 38.4 Ų | 38.4 | 11% | 0.114 | 23% | 0.229 | C | C | . | . | trans | -96.1 | 143.3 | 171.4 | -61.4 | -85.2 | 0 | 0 | 0 | 111.1 | V29 V31 Y52 P58 V111 E113 N118 | V29-F55 HydrophobicContact CG1-CD1 4.26Å; V29-F55 HydrophobicContact CG1-CD2 3.84Å; V29-F55 HydrophobicContact CG1-CE1 3.68Å; V29-F55 HydrophobicContact CG1-CE2 3.21Å; V29-F55 HydrophobicContact CG1-CG 4.34Å; V29-F55 HydrophobicContact CG1-CZ 3.13Å; V31-F55 HydrophobicContact CG2-CE2 3.77Å; V31-F55 HydrophobicContact CG2-CZ 4.08Å; Y52-F55 AromaticContact CD2-CD2 3.77Å; Y52-F55 HydrophobicContact CD2-CD2 3.77Å; Y52-F55 HydrophobicContact CD2-CE2 4.38Å; Y52-F55 HydrophobicContact CG-CD2 4.29Å; Y52-F55 HydrophobicContact CG-CE2 4.45Å; F55-P58 HydrophobicContact CB-CB 3.86Å; F55-P58 HydrophobicContact CG-CB 4.31Å; F55-V111 HydrophobicContact CD1-CG1 4.11Å; F55-V111 HydrophobicContact CD2-CB 4.5Å; F55-V111 HydrophobicContact CD2-CG1 3.69Å; F55-V111 HydrophobicContact CE1-CB 4.25Å; F55-V111 HydrophobicContact CE1-CG1 3.85Å; F55-V111 WeakPolarHBondContact CE1-O 3.47Å; F55-V111 HydrophobicContact CE2-CB 3.71Å; F55-V111 HydrophobicContact CE2-CG1 3.38Å; F55-V111 HydrophobicContact CG-CG1 4.03Å; F55-V111 HydrophobicContact CZ-CB 3.54Å; F55-V111 HydrophobicContact CZ-CG1 3.46Å; F55-V111 VanDerWaalsContact CZ-CG1 3.46Å; F55-V111 VanDerWaalsContact CZ-O 3.29Å; F55-V111 WeakPolarHBondContact CZ-O 3.4Å; F55-E113 VanDerWaalsContact CA-OE2 3.3Å; F55-E113 WeakPolarHBondContact CA-OE2 3.24Å; F55-E113 HydrophobicContact CD1-CB 4.39Å; F55-N118 HydrophobicContact CD1-CB 4.32Å; F55-N118 HydrophobicContact CE1-CB 4.08Å | ||
| 56 | S | 92.5 | Very high | 96.3 | Very high | 115 Ų | 115 | 38 Ų | 38 | 80% | 0.804 | 22% | 0.22 | S | C | * | . | S | Bend | trans | -98 | -48.5 | 177.8 | -57.5 | 0 | 0 | 0 | 0 | 112.4 | E113 | S56-E113 PolarHBondContact N-OE1 3.3Å; S56-E113 PolarHBondContact N-OE2 3.47Å |
| 57 | S | 93.8 | Very high | 96 | Very high | 50 Ų | 50 | 41.1 Ų | 41.1 | 35% | 0.35 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -123.8 | 86.2 | 169.8 | -160.5 | 0 | 0 | 0 | 0 | 108.6 | R59 E113 E114 | S57-R59 PolarHBondContact O-N 2.99Å; S57-E113 PolarHBondContact N-OE1 2.87Å; S57-E114 VanDerWaalsContact CB-OE2 3.31Å; S57-E114 WeakPolarHBondContact CB-OE2 3.49Å; S57-E114 PolarHBondContact O-N 2.82Å; S57-E114 PolarHBondContact OG-OE2 2.95Å |
| 58 | P | 95.9 | Very high | 95.9 | Very high | 32 Ų | 32 | 45.4 Ų | 45.4 | 21% | 0.208 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 124.4 | -175.3 | 29 | -34.2 | 0 | 0 | 0 | 112 | Y52 F55 N77 V111 | Y52-P58 HydrophobicContact CE2-CB 3.71Å; Y52-P58 HydrophobicContact CE2-CG 3.78Å; F55-P58 HydrophobicContact CB-CB 3.86Å; F55-P58 HydrophobicContact CG-CB 4.31Å; P58-N77 PolarHBondContact O-ND2 2.98Å; P58-N77 PolarHBondContact O-OD1 3.21Å; P58-V111 HydrophobicContact CB-CG1 4.05Å |
| 59 | R | 96.4 | Very high | 95.8 | Very high | 64 Ų | 64 | 48.2 Ų | 48.2 | 24% | 0.242 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 109.4 | 161.1 | -174.6 | 175.5 | 72.3 | -90.2 | -0.4 | 109.1 | S57 E61 N76 S112 E113 | S57-R59 PolarHBondContact O-N 2.99Å; R59-E61 WeakPolarHBondContact CD-OE1 3.44Å; R59-E61 HydrophobicContact CG-CG 4.45Å; R59-E61 IonicContact NE-OE1 2.59Å; R59-E61 PolarHBondContact NE-OE1 2.82Å; R59-N76 WeakPolarHBondContact CD-OD1 3.3Å; R59-N76 WeakPolarHBondContact CG-OD1 3.47Å; R59-S112 PolarHBondContact N-O 3.07Å; R59-S112 PolarHBondContact NH1-OG 3.33Å; R59-S112 PolarHBondContact NH2-OG 3.44Å; R59-S112 PolarHBondContact O-N 3.04Å; R59-S112 PolarHBondContact O-OG 3.34Å; R59-S112 VanDerWaalsContact O-OG 3.09Å; R59-E113 PolarHBondContact NH1-O 2.86Å |
| 60 | V | 97.3 | Very high | 95.7 | Very high | 3 Ų | 3 | 51.8 Ų | 51.8 | 2% | 0.018 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 130.3 | 177.7 | -173 | 0 | 0 | 0 | 0 | 109.7 | Y52 N77 F89 V111 | Y52-V60 HydrophobicContact CE1-CG2 3.67Å; V60-N77 WeakPolarHBondContact CA-OD1 3.4Å; V60-N77 WeakPolarHBondContact CB-OD1 3.19Å; V60-N77 PolarHBondContact N-OD1 2.97Å; V60-N77 PolarHBondContact O-N 2.89Å; V60-F89 HydrophobicContact CB-CE2 3.92Å; V60-F89 HydrophobicContact CB-CZ 3.95Å; V60-F89 HydrophobicContact CG1-CE2 3.88Å; V60-F89 HydrophobicContact CG1-CZ 4.36Å; V60-F89 HydrophobicContact CG2-CZ 4.22Å; V60-V111 HydrophobicContact CG1-CG2 4.38Å; V60-V111 HydrophobicContact CG2-CG1 4.12Å; V60-V111 HydrophobicContact CG2-CG2 4.33Å |
| 61 | E | 97.9 | Very high | 95.7 | Very high | 32 Ų | 32 | 56.6 Ų | 56.6 | 15% | 0.15 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 146.9 | 175.9 | -60.6 | -177.8 | -157.2 | 0 | 0 | 108.5 | R59 C74 Y75 M110 | R59-E61 WeakPolarHBondContact CD-OE1 3.44Å; R59-E61 HydrophobicContact CG-CG 4.45Å; R59-E61 IonicContact NE-OE1 2.59Å; R59-E61 PolarHBondContact NE-OE1 2.82Å; E61-C74 CarbonylContact C-O 3.5Å; E61-C74 WeakPolarHBondContact CA-O 3.38Å; E61-Y75 HydrophobicContact CG-CD2 4.27Å; E61-Y75 WeakPolarHBondContact OE2-CD2 3.18Å; E61-M110 HydrophobicContact CB-CE 3.92Å; E61-M110 PolarHBondContact N-O 2.83Å; E61-M110 PolarHBondContact O-N 3.26Å |
| 62 | W | 98.6 | Very high | 95.8 | Very high | 1 Ų | 1 | 58.4 Ų | 58.4 | 0% | 0.004 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 129.2 | 176.3 | -77 | 78.2 | 0 | 0 | 0 | 109.2 | L48 C50 V73 C74 I94 T108 C109 | L48-W62 HydrophobicContact CB-CH2 3.74Å; L48-W62 HydrophobicContact CB-CZ3 3.95Å; L48-W62 HydrophobicContact CD1-CZ3 4.4Å; L48-W62 WeakPolarHBondContact O-CH2 3.37Å; C50-W62 HydrophobicContact CB-CH2 4Å; C50-W62 HydrophobicContact CB-CZ2 3.43Å; C50-W62 VanDerWaalsContact CB-CZ2 3.43Å; W62-V73 HydrophobicContact CB-CB 4.13Å; W62-V73 PolarHBondContact O-N 2.83Å; W62-C74 HydrophobicContact CB-CB 3.77Å; W62-C74 HydrophobicContact CG-CB 4.17Å; W62-C74 PolarHBondContact N-O 2.8Å; W62-C74 PolarHBondContact O-N 2.85Å; W62-C74 VanDerWaalsContact O-N 3.12Å; W62-I94 HydrophobicContact CB-CD1 4.4Å; W62-I94 HydrophobicContact CD2-CD1 3.83Å; W62-I94 HydrophobicContact CD2-CG1 4Å; W62-I94 HydrophobicContact CD2-CG2 4.33Å; W62-I94 HydrophobicContact CE3-CD1 3.86Å; W62-I94 HydrophobicContact CE3-CG1 4.17Å; W62-I94 HydrophobicContact CG-CD1 4.13Å; W62-I94 HydrophobicContact CG-CG2 4.15Å; W62-I94 HydrophobicContact CH2-CG1 4.26Å; W62-I94 HydrophobicContact CZ2-CG1 4.09Å; W62-I94 HydrophobicContact CZ3-CD1 4.36Å; W62-I94 HydrophobicContact CZ3-CG1 4.3Å; W62-T108 WeakPolarHBondContact CA-O 3.45Å; W62-C109 HydrophobicContact CD2-CB 3.87Å; W62-C109 HydrophobicContact CE3-CB 4Å; W62-C109 HydrophobicContact CH2-CB 3.8Å; W62-C109 HydrophobicContact CZ2-CB 3.63Å; W62-C109 HydrophobicContact CZ3-CB 3.96Å |
| 63 | K | 98.3 | Very high | 95.9 | Very high | 49 Ų | 49 | 55.6 Ų | 55.6 | 21% | 0.213 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 152.2 | 167.8 | 61.4 | 170.7 | -175.9 | 143.2 | 0 | 111.2 | D65 K71 L72 Y107 T108 M110 | K63-D65 WeakPolarHBondContact CD-OD2 3.35Å; K63-D65 WeakPolarHBondContact CE-OD2 3.34Å; K63-D65 IonicContact NZ-OD1 3.23Å; K63-D65 IonicContact NZ-OD2 2.73Å; K63-D65 PolarHBondContact NZ-OD2 3.15Å; K63-K71 CarbonylContact C-O 3.44Å; K63-K71 VanDerWaalsContact CA-O 3.3Å; K63-K71 WeakPolarHBondContact CA-O 3.39Å; K63-L72 HydrophobicContact CB-CD2 4.2Å; K63-Y107 CarbonylContact O-C 3.59Å; K63-Y107 VanDerWaalsContact O-CA 3.28Å; K63-Y107 WeakPolarHBondContact O-CA 3.39Å; K63-T108 WeakPolarHBondContact CE-OG1 3.28Å; K63-T108 PolarHBondContact N-O 3.44Å; K63-T108 PolarHBondContact O-N 2.85Å; K63-M110 HydrophobicContact CB-CE 4.08Å; K63-M110 HydrophobicContact CD-CE 4.23Å; K63-M110 HydrophobicContact CD-SD 3.95Å; K63-M110 HydrophobicContact CG-CE 3.86Å; K63-M110 HydrophobicContact CG-SD 4Å |
| 64 | F | 98.6 | Very high | 96.1 | Very high | 3 Ų | 3 | 53 Ų | 53 | 1% | 0.013 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 128.8 | 170.5 | 165.3 | -97.1 | 0 | 0 | 0 | 108.1 | Q66 T70 K71 V73 E102 Y107 | F64-Q66 HydrophobicContact CE1-CB 3.64Å; F64-Q66 HydrophobicContact CE2-CB 4.26Å; F64-Q66 HydrophobicContact CZ-CB 3.48Å; F64-Q66 VanDerWaalsContact CZ-CB 3.48Å; F64-Q66 HydrophobicContact CZ-CG 4.22Å; F64-T70 CarbonylContact O-C 3.57Å; F64-T70 VanDerWaalsContact O-CA 3.28Å; F64-T70 WeakPolarHBondContact O-CA 3.03Å; F64-K71 HydrophobicContact CD1-CB 4.38Å; F64-K71 HydrophobicContact CD1-CD 4.37Å; F64-K71 PolarHBondContact N-O 3.18Å; F64-K71 PolarHBondContact O-N 2.86Å; F64-V73 HydrophobicContact CB-CG2 3.67Å; F64-E102 WeakPolarHBondContact CZ-O 3.22Å; F64-Y107 HydrophobicContact CB-CD1 4.14Å; F64-Y107 HydrophobicContact CB-CE1 3.96Å; F64-Y107 HydrophobicContact CD2-CD1 4.28Å; F64-Y107 HydrophobicContact CD2-CD2 4.23Å; F64-Y107 AromaticContact CD2-CE1 3.74Å; F64-Y107 HydrophobicContact CD2-CE1 3.74Å; F64-Y107 AromaticContact CD2-CE2 3.67Å; F64-Y107 HydrophobicContact CD2-CE2 3.67Å; F64-Y107 AromaticContact CD2-CZ 3.41Å; F64-Y107 VanDerWaalsContact CD2-CZ 3.41Å; F64-Y107 HydrophobicContact CE2-CE2 4.09Å; F64-Y107 AromaticContact CE2-CZ 3.99Å; F64-Y107 HydrophobicContact CG-CE1 4.28Å |
| 65 | D | 97.9 | Very high | 96.4 | Very high | 32 Ų | 32 | 57.1 Ų | 57.1 | 17% | 0.171 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 118.7 | 179.8 | -64.3 | -52.3 | 0 | 0 | 0 | 109.5 | K63 T69 T70 T106 | K63-D65 WeakPolarHBondContact CD-OD2 3.35Å; K63-D65 WeakPolarHBondContact CE-OD2 3.34Å; K63-D65 IonicContact NZ-OD1 3.23Å; K63-D65 IonicContact NZ-OD2 2.73Å; K63-D65 PolarHBondContact NZ-OD2 3.15Å; D65-T69 WeakPolarHBondContact CA-O 3.5Å; D65-T70 WeakPolarHBondContact OD1-CB 3.02Å; D65-T70 VanDerWaalsContact OD1-CG2 3.23Å; D65-T70 WeakPolarHBondContact OD1-CG2 3.34Å; D65-T70 PolarHBondContact OD1-OG1 2.98Å; D65-T106 PolarHBondContact N-O 3.24Å; D65-T106 PolarHBondContact O-N 3.32Å |
| 66 | Q | 96.3 | Very high | 96.6 | Very high | 76 Ų | 76 | 59.9 Ų | 59.9 | 36% | 0.355 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 109.7 | 177.9 | -179.4 | -161 | 76.5 | 0 | 0 | 110 | F64 D68 T69 E102 T104 | F64-Q66 HydrophobicContact CE1-CB 3.64Å; F64-Q66 HydrophobicContact CE2-CB 4.26Å; F64-Q66 HydrophobicContact CZ-CB 3.48Å; F64-Q66 VanDerWaalsContact CZ-CB 3.48Å; F64-Q66 HydrophobicContact CZ-CG 4.22Å; Q66-D68 PolarHBondContact O-N 2.04Å; Q66-T69 PolarHBondContact N-O 2.8Å; Q66-T69 VanDerWaalsContact O-CB 3.32Å; Q66-T69 WeakPolarHBondContact O-CB 3.28Å; Q66-T69 PolarHBondContact O-N 2.94Å; Q66-E102 PolarHBondContact NE2-O 2.9Å; Q66-T104 PolarHBondContact NE2-O 3.17Å |
| 67 | G | 93.3 | Very high | 96.8 | Very high | 80 Ų | 80 | 57.2 Ų | 57.2 | 83% | 0.825 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.8 | -131.2 | -170.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | T69 | G67-T69 VanDerWaalsContact C-N 3.26Å; G67-T69 PolarHBondContact O-N 2.77Å |
| 68 | D | 94.5 | Very high | 97 | Very high | 175 Ų | 175 | 60.9 Ų | 60.9 | 94% | 0.936 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.6 | 1.4 | 174.3 | -52.4 | -59.3 | 0 | 0 | 0 | 113.7 | Q66 | Q66-D68 PolarHBondContact O-N 2.04Š|
| 69 | T | 95.8 | Very high | 97.1 | Very high | 59 Ų | 59 | 60 Ų | 60 | 36% | 0.362 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 109.8 | -179.4 | -61.6 | 0 | 0 | 0 | 0 | 111.5 | D65 Q66 G67 K71 | D65-T69 WeakPolarHBondContact CA-O 3.5Å; Q66-T69 PolarHBondContact N-O 2.8Å; Q66-T69 VanDerWaalsContact O-CB 3.32Å; Q66-T69 WeakPolarHBondContact O-CB 3.28Å; Q66-T69 PolarHBondContact O-N 2.94Å; G67-T69 VanDerWaalsContact C-N 3.26Å; G67-T69 PolarHBondContact O-N 2.77Å; T69-K71 HydrophobicContact CG2-CD 4.18Å; T69-K71 HydrophobicContact CG2-CG 4.09Å |
| 70 | T | 97.3 | Very high | 97.2 | Very high | 92 Ų | 92 | 58.3 Ų | 58.3 | 56% | 0.564 | 31% | 0.311 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 132.7 | 166 | -63.6 | 0 | 0 | 0 | 0 | 110.7 | F64 D65 | F64-T70 CarbonylContact O-C 3.57Å; F64-T70 VanDerWaalsContact O-CA 3.28Å; F64-T70 WeakPolarHBondContact O-CA 3.03Å; D65-T70 WeakPolarHBondContact OD1-CB 3.02Å; D65-T70 VanDerWaalsContact OD1-CG2 3.23Å; D65-T70 WeakPolarHBondContact OD1-CG2 3.34Å; D65-T70 PolarHBondContact OD1-OG1 2.98Å |
| 71 | K | 97.1 | Very high | 97.1 | Very high | 103 Ų | 103 | 62.1 Ų | 62.1 | 45% | 0.448 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 142.3 | 176.2 | -66.9 | 172.5 | -178.3 | 166.8 | 0 | 110.7 | K63 F64 T69 | K63-K71 CarbonylContact C-O 3.44Å; K63-K71 VanDerWaalsContact CA-O 3.3Å; K63-K71 WeakPolarHBondContact CA-O 3.39Å; F64-K71 HydrophobicContact CD1-CB 4.38Å; F64-K71 HydrophobicContact CD1-CD 4.37Å; F64-K71 PolarHBondContact N-O 3.18Å; F64-K71 PolarHBondContact O-N 2.86Å; T69-K71 HydrophobicContact CG2-CD 4.18Å; T69-K71 HydrophobicContact CG2-CG 4.09Å |
| 72 | L | 98 | Very high | 97 | Very high | 78 Ų | 78 | 65 Ų | 65 | 41% | 0.408 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 127.5 | 167.5 | -70.9 | 173.8 | 0 | 0 | 0 | 110 | K63 Y75 T80 M110 | K63-L72 HydrophobicContact CB-CD2 4.2Å; L72-Y75 HydrophobicContact CD1-CD2 4.11Å; L72-Y75 HydrophobicContact CD1-CG 4.5Å; L72-T80 HydrophobicContact CB-CG2 4.05Å; L72-T80 WeakPolarHBondContact O-CG2 3.42Å; L72-T80 PolarHBondContact O-OG1 2.91Å; L72-M110 HydrophobicContact CD2-CE 4.48Å |
| 73 | V | 98.2 | Very high | 96.9 | Very high | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | -36.6 | 178.6 | -172 | 0 | 0 | 0 | 0 | 110.5 | W62 F64 I79 T80 Y83 I94 Y107 | W62-V73 HydrophobicContact CB-CB 4.13Å; W62-V73 PolarHBondContact O-N 2.83Å; F64-V73 HydrophobicContact CB-CG2 3.67Å; V73-I79 WeakPolarHBondContact O-CA 3.29Å; V73-T80 PolarHBondContact O-N 3.29Å; V73-T80 PolarHBondContact O-OG1 2.84Å; V73-Y83 HydrophobicContact CB-CD2 4.3Å; V73-Y83 HydrophobicContact CB-CE2 4.25Å; V73-Y83 HydrophobicContact CG1-CD1 4.06Å; V73-Y83 HydrophobicContact CG1-CD2 4.05Å; V73-Y83 HydrophobicContact CG1-CE1 4.3Å; V73-Y83 HydrophobicContact CG1-CE2 4.3Å; V73-Y83 HydrophobicContact CG1-CG 3.92Å; V73-Y83 HydrophobicContact CG2-CD2 4.44Å; V73-Y83 HydrophobicContact CG2-CE1 4.41Å; V73-Y83 HydrophobicContact CG2-CE2 3.91Å; V73-I94 HydrophobicContact CG1-CD1 3.81Å; V73-Y107 HydrophobicContact CG2-CD1 4.16Å; V73-Y107 HydrophobicContact CG2-CE1 3.99Å |
| 74 | C | 98.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 67.3 Ų | 67.3 | 0% | 0 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 134 | 172.3 | -176.4 | 0 | 0 | 0 | 0 | 108.7 | E61 W62 K78 I79 | E61-C74 CarbonylContact C-O 3.5Å; E61-C74 WeakPolarHBondContact CA-O 3.38Å; W62-C74 HydrophobicContact CB-CB 3.77Å; W62-C74 HydrophobicContact CG-CB 4.17Å; W62-C74 PolarHBondContact N-O 2.8Å; W62-C74 PolarHBondContact O-N 2.85Å; W62-C74 VanDerWaalsContact O-N 3.12Å; C74-K78 CarbonylContact C-O 3.54Å; C74-K78 VanDerWaalsContact CA-O 3.29Å; C74-K78 WeakPolarHBondContact CA-O 3.15Å; C74-K78 VanDerWaalsContact SG-C 3.58Å; C74-K78 PolarHBondContact SG-O 2.87Å; C74-K78 VanDerWaalsContact SG-O 3.37Å; C74-I79 HydrophobicContact CB-CD1 4.2Å |
| 75 | Y | 97.6 | Very high | 96.7 | Very high | 130 Ų | 130 | 72 Ų | 72 | 51% | 0.51 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 132.9 | 175.6 | -179 | -108.6 | 0 | 0 | 0 | 109.4 | E61 L72 N77 K78 | E61-Y75 HydrophobicContact CG-CD2 4.27Å; E61-Y75 WeakPolarHBondContact OE2-CD2 3.18Å; L72-Y75 HydrophobicContact CD1-CD2 4.11Å; L72-Y75 HydrophobicContact CD1-CG 4.5Å; Y75-N77 PolarHBondContact O-N 2.93Å; Y75-K78 PolarHBondContact N-O 2.7Å; Y75-K78 PolarHBondContact O-N 3.48Å; Y75-K78 VanDerWaalsContact O-O 3.06Å |
| 76 | N | 95.4 | Very high | 96.6 | Very high | 84 Ų | 84 | 73.1 Ų | 73.1 | 45% | 0.449 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 45.6 | 56.7 | -177.7 | -164.3 | 39 | 0 | 0 | 0 | 114 | R59 K78 | R59-N76 WeakPolarHBondContact CD-OD1 3.3Å; R59-N76 WeakPolarHBondContact CG-OD1 3.47Å; N76-K78 PolarHBondContact O-N 3.04Å; N76-K78 VanDerWaalsContact O-N 3.1Å |
| 77 | N | 96.6 | Very high | 96.7 | Very high | 59 Ų | 59 | 69.7 Ų | 69.7 | 32% | 0.316 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.8 | 10.8 | -177.2 | -64.5 | -35.8 | 0 | 0 | 0 | 116.2 | P58 V60 Y75 F89 | P58-N77 PolarHBondContact O-ND2 2.98Å; P58-N77 PolarHBondContact O-OD1 3.21Å; V60-N77 WeakPolarHBondContact CA-OD1 3.4Å; V60-N77 WeakPolarHBondContact CB-OD1 3.19Å; V60-N77 PolarHBondContact N-OD1 2.97Å; V60-N77 PolarHBondContact O-N 2.89Å; Y75-N77 PolarHBondContact O-N 2.93Å; N77-F89 HydrophobicContact CB-CE1 4.23Å; N77-F89 HydrophobicContact CB-CZ 4.32Å; N77-F89 WeakPolarHBondContact O-CD1 3.28Å |
| 78 | K | 97.5 | Very high | 97 | Very high | 127 Ų | 127 | 69 Ų | 69 | 55% | 0.552 | 37% | 0.369 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 137.9 | 178.5 | -162.4 | -161.1 | 172.1 | -152.8 | 0 | 111.9 | C74 Y75 N76 E84 | C74-K78 CarbonylContact C-O 3.54Å; C74-K78 VanDerWaalsContact CA-O 3.29Å; C74-K78 WeakPolarHBondContact CA-O 3.15Å; C74-K78 VanDerWaalsContact SG-C 3.58Å; C74-K78 PolarHBondContact SG-O 2.87Å; C74-K78 VanDerWaalsContact SG-O 3.37Å; Y75-K78 PolarHBondContact N-O 2.7Å; Y75-K78 PolarHBondContact O-N 3.48Å; Y75-K78 VanDerWaalsContact O-O 3.06Å; N76-K78 PolarHBondContact O-N 3.04Å; N76-K78 VanDerWaalsContact O-N 3.1Å; K78-E84 WeakPolarHBondContact CE-OE1 3.09Å; K78-E84 IonicContact NZ-OE1 2.76Å; K78-E84 PolarHBondContact NZ-OE1 2.63Å |
| 79 | I | 98.3 | Very high | 97.1 | Very high | 14 Ų | 14 | 63.2 Ų | 63.2 | 7% | 0.072 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.2 | 141.9 | 169.4 | -58.3 | -56.9 | 0 | 0 | 0 | 110.2 | V73 C74 E84 V87 F89 I94 | V73-I79 WeakPolarHBondContact O-CA 3.29Å; C74-I79 HydrophobicContact CB-CD1 4.2Å; I79-E84 HydrophobicContact CB-CG 4.32Å; I79-E84 HydrophobicContact CG2-CG 4.11Å; I79-V87 HydrophobicContact CD1-CB 4.45Å; I79-V87 HydrophobicContact CD1-CG1 3.83Å; I79-V87 HydrophobicContact CG1-CG1 4.49Å; I79-V87 HydrophobicContact CG2-CB 4.23Å; I79-F89 HydrophobicContact CD1-CB 3.82Å; I79-F89 HydrophobicContact CG1-CB 3.91Å; I79-I94 HydrophobicContact CD1-CG2 3.89Å |
| 80 | T | 98.1 | Very high | 97.1 | Very high | 28 Ų | 28 | 63.9 Ų | 63.9 | 17% | 0.172 | 34% | 0.337 | C | S | . | . | trans | -83.5 | 152.7 | 178.5 | 62.2 | 0 | 0 | 0 | 0 | 111.4 | L72 V73 S82 Y83 E84 | L72-T80 HydrophobicContact CB-CG2 4.05Å; L72-T80 WeakPolarHBondContact O-CG2 3.42Å; L72-T80 PolarHBondContact O-OG1 2.91Å; V73-T80 PolarHBondContact O-N 3.29Å; V73-T80 PolarHBondContact O-OG1 2.84Å; T80-S82 PolarHBondContact O-N 2.88Å; T80-Y83 PolarHBondContact O-N 3.16Å; T80-E84 PolarHBondContact O-N 3.03Å; T80-E84 VanDerWaalsContact O-N 3.16Å | ||
| 81 | A | 96.6 | Very high | 96.9 | Very high | 82 Ų | 82 | 63.8 Ų | 63.8 | 68% | 0.678 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.8 | -29.1 | -171.2 | 0 | 0 | 0 | 0 | 0 | 115 | Y83 | A81-Y83 PolarHBondContact O-N 3.03Š|
| 82 | S | 94.9 | Very high | 96.8 | Very high | 93 Ų | 93 | 61.4 Ų | 61.4 | 65% | 0.65 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.9 | -2.5 | 176.2 | -48 | 0 | 0 | 0 | 0 | 114.9 | T80 | T80-S82 PolarHBondContact O-N 2.88Š|
| 83 | Y | 97.1 | Very high | 96.8 | Very high | 9 Ų | 9 | 57.8 Ų | 57.8 | 4% | 0.035 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -138.6 | -6 | -177.3 | -64.6 | -87.8 | 0 | 0 | 0 | 113.5 | V73 T80 A81 D85 R86 V87 F96 | V73-Y83 HydrophobicContact CB-CD2 4.3Å; V73-Y83 HydrophobicContact CB-CE2 4.25Å; V73-Y83 HydrophobicContact CG1-CD1 4.06Å; V73-Y83 HydrophobicContact CG1-CD2 4.05Å; V73-Y83 HydrophobicContact CG1-CE1 4.3Å; V73-Y83 HydrophobicContact CG1-CE2 4.3Å; V73-Y83 HydrophobicContact CG1-CG 3.92Å; V73-Y83 HydrophobicContact CG2-CD2 4.44Å; V73-Y83 HydrophobicContact CG2-CE1 4.41Å; V73-Y83 HydrophobicContact CG2-CE2 3.91Å; T80-Y83 PolarHBondContact O-N 3.16Å; A81-Y83 PolarHBondContact O-N 3.03Å; Y83-D85 PolarHBondContact O-N 3.26Å; Y83-R86 PolarHBondContact O-N 2.88Å; Y83-R86 VanDerWaalsContact O-N 3.14Å; Y83-V87 HydrophobicContact CD1-CG2 3.88Å; Y83-V87 HydrophobicContact CG-CG2 4.3Å; Y83-V87 WeakPolarHBondContact O-CB 3.32Å; Y83-V87 PolarHBondContact O-N 3.25Å; Y83-F96 HydrophobicContact CD1-CE1 4.31Å; Y83-F96 HydrophobicContact CE1-CE1 4.43Å |
| 84 | E | 95.8 | Very high | 96.8 | Very high | 89 Ų | 89 | 57.8 Ų | 57.8 | 42% | 0.416 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | -25.4 | -178.5 | -77.2 | -175.9 | 151.2 | 0 | 0 | 113.5 | K78 I79 T80 | K78-E84 WeakPolarHBondContact CE-OE1 3.09Å; K78-E84 IonicContact NZ-OE1 2.76Å; K78-E84 PolarHBondContact NZ-OE1 2.63Å; I79-E84 HydrophobicContact CB-CG 4.32Å; I79-E84 HydrophobicContact CG2-CG 4.11Å; T80-E84 PolarHBondContact O-N 3.03Å; T80-E84 VanDerWaalsContact O-N 3.16Å |
| 85 | D | 96.4 | Very high | 96.8 | Very high | 103 Ų | 103 | 59.4 Ų | 59.4 | 55% | 0.551 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.5 | -37.1 | 176.6 | 70.5 | -47.2 | 0 | 0 | 0 | 112.4 | Y83 K97 | Y83-D85 PolarHBondContact O-N 3.26Å; D85-K97 PolarHBondContact O-NZ 2.86Å |
| 86 | R | 96.6 | Very high | 96.8 | Very high | 54 Ų | 54 | 53.3 Ų | 53.3 | 20% | 0.204 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -128.4 | -6.9 | -165.4 | 71.5 | -158.7 | -173.6 | 93.2 | 0.2 | 115.8 | Y83 F96 K97 D103 | Y83-R86 PolarHBondContact O-N 2.88Å; Y83-R86 VanDerWaalsContact O-N 3.14Å; R86-F96 CarbonylContact O-C 3.59Å; R86-F96 WeakPolarHBondContact O-CA 3.47Å; R86-K97 WeakPolarHBondContact O-CG 3.48Å; R86-K97 PolarHBondContact O-N 3.02Å; R86-D103 IonicContact CZ-OD1 3.02Å; R86-D103 IonicContact CZ-OD2 3.77Å; R86-D103 IonicContact NH1-OD1 2.72Å; R86-D103 PolarHBondContact NH1-OD1 3.38Å; R86-D103 IonicContact NH1-OD2 2.93Å; R86-D103 PolarHBondContact NH1-OD2 2.74Å; R86-D103 IonicContact NH2-OD1 3.19Å; R86-D103 PolarHBondContact NH2-OD1 2.91Å; R86-D103 IonicContact NH2-OD2 3.45Å |
| 87 | V | 98.2 | Very high | 96.9 | Very high | 5 Ų | 5 | 55.2 Ų | 55.2 | 3% | 0.03 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 140.3 | 179.2 | -171.8 | 0 | 0 | 0 | 0 | 111.1 | I79 Y83 I94 T95 F96 | I79-V87 HydrophobicContact CD1-CB 4.45Å; I79-V87 HydrophobicContact CD1-CG1 3.83Å; I79-V87 HydrophobicContact CG1-CG1 4.49Å; I79-V87 HydrophobicContact CG2-CB 4.23Å; Y83-V87 HydrophobicContact CD1-CG2 3.88Å; Y83-V87 HydrophobicContact CG-CG2 4.3Å; Y83-V87 WeakPolarHBondContact O-CB 3.32Å; Y83-V87 PolarHBondContact O-N 3.25Å; V87-I94 HydrophobicContact CG1-CB 3.92Å; V87-I94 HydrophobicContact CG1-CD1 4.47Å; V87-I94 HydrophobicContact CG1-CG2 4.46Å; V87-T95 CarbonylContact C-O 3.56Å; V87-T95 WeakPolarHBondContact CA-O 3.32Å; V87-F96 HydrophobicContact CG1-CE2 4.46Å; V87-F96 HydrophobicContact CG2-CD1 3.53Å; V87-F96 HydrophobicContact CG2-CD2 4.28Å; V87-F96 HydrophobicContact CG2-CE1 3.48Å; V87-F96 VanDerWaalsContact CG2-CE1 3.48Å; V87-F96 HydrophobicContact CG2-CE2 4.23Å; V87-F96 HydrophobicContact CG2-CG 3.93Å; V87-F96 HydrophobicContact CG2-CZ 3.83Å |
| 88 | T | 97.9 | Very high | 97 | Very high | 66 Ų | 66 | 54.2 Ų | 54.2 | 41% | 0.405 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 145.1 | 171.4 | 60.6 | 0 | 0 | 0 | 0 | 111.3 | I94 T95 | T88-I94 WeakPolarHBondContact O-CA 3.39Å; T88-T95 PolarHBondContact N-O 2.88Å; T88-T95 PolarHBondContact O-N 2.8Å; T88-T95 PolarHBondContact OG1-O 2.71Å |
| 89 | F | 97.9 | Very high | 97 | Very high | 53 Ų | 53 | 48.1 Ų | 48.1 | 23% | 0.232 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 138.8 | 176.7 | 176.6 | -102.7 | 0 | 0 | 0 | 111.3 | V60 N77 I79 I94 | V60-F89 HydrophobicContact CB-CE2 3.92Å; V60-F89 HydrophobicContact CB-CZ 3.95Å; V60-F89 HydrophobicContact CG1-CE2 3.88Å; V60-F89 HydrophobicContact CG1-CZ 4.36Å; V60-F89 HydrophobicContact CG2-CZ 4.22Å; N77-F89 HydrophobicContact CB-CE1 4.23Å; N77-F89 HydrophobicContact CB-CZ 4.32Å; N77-F89 WeakPolarHBondContact O-CD1 3.28Å; I79-F89 HydrophobicContact CD1-CB 3.82Å; I79-F89 HydrophobicContact CG1-CB 3.91Å; F89-I94 HydrophobicContact CD2-CG2 4.25Å |
| 90 | L | 95.7 | Very high | 96.9 | Very high | 73 Ų | 73 | 49.8 Ų | 49.8 | 38% | 0.382 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 153.4 | 166.1 | -60.2 | 168.6 | 0 | 0 | 0 | 108.9 | S92 G93 | L90-S92 PolarHBondContact O-N 3.24Å; L90-G93 WeakPolarHBondContact CB-O 3.4Å; L90-G93 PolarHBondContact N-O 2.91Å; L90-G93 PolarHBondContact O-N 2.73Å; L90-G93 VanDerWaalsContact O-O 3.07Å |
| 91 | P | 93.4 | Very high | 96.7 | Very high | 89 Ų | 89 | 52.6 Ų | 52.6 | 58% | 0.578 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -7 | 172.4 | -24.8 | 35.1 | 0 | 0 | 0 | 115.4 | Y52 | Y52-P91 WeakPolarHBondContact CE1-O 3.23Š|
| 92 | S | 94.5 | Very high | 96.6 | Very high | 53 Ų | 53 | 55.5 Ų | 55.5 | 37% | 0.371 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.9 | 16.7 | 175 | 54.8 | 0 | 0 | 0 | 0 | 113.3 | K47 C50 L90 | K47-S92 WeakPolarHBondContact CE-O 3.44Å; K47-S92 PolarHBondContact NZ-O 2.96Å; K47-S92 PolarHBondContact NZ-OG 2.92Å; C50-S92 PolarHBondContact N-O 3.11Å; C50-S92 VanDerWaalsContact N-O 3.13Å; C50-S92 CarbonylContact O-C 3.6Å; C50-S92 VanDerWaalsContact O-CA 3.26Å; C50-S92 WeakPolarHBondContact O-CA 3.43Å; L90-S92 PolarHBondContact O-N 3.24Å |
| 93 | G | 97.1 | Very high | 96.7 | Very high | 2 Ų | 2 | 51.2 Ų | 51.2 | 2% | 0.021 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 121.7 | 178.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 115 | L48 L90 | L48-G93 CarbonylContact O-C 3.51Å; L48-G93 VanDerWaalsContact O-CA 3.26Å; L48-G93 WeakPolarHBondContact O-CA 3.17Å; L90-G93 WeakPolarHBondContact CB-O 3.4Å; L90-G93 PolarHBondContact N-O 2.91Å; L90-G93 PolarHBondContact O-N 2.73Å; L90-G93 VanDerWaalsContact O-O 3.07Å |
| 94 | I | 98.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 144.3 | -177.5 | 56.3 | 174.1 | 0 | 0 | 0 | 111.9 | K47 L48 W62 V73 I79 V87 T88 F89 F96 Y107 | K47-I94 CarbonylContact C-O 3.56Å; K47-I94 WeakPolarHBondContact CA-O 3.3Å; L48-I94 HydrophobicContact CB-CG1 4.1Å; L48-I94 HydrophobicContact CD1-CD1 4.35Å; L48-I94 HydrophobicContact CD1-CG1 4.46Å; L48-I94 PolarHBondContact N-O 2.9Å; L48-I94 PolarHBondContact O-N 3.41Å; L48-I94 VanDerWaalsContact O-N 3.13Å; W62-I94 HydrophobicContact CB-CD1 4.4Å; W62-I94 HydrophobicContact CD2-CD1 3.83Å; W62-I94 HydrophobicContact CD2-CG1 4Å; W62-I94 HydrophobicContact CD2-CG2 4.33Å; W62-I94 HydrophobicContact CE3-CD1 3.86Å; W62-I94 HydrophobicContact CE3-CG1 4.17Å; W62-I94 HydrophobicContact CG-CD1 4.13Å; W62-I94 HydrophobicContact CG-CG2 4.15Å; W62-I94 HydrophobicContact CH2-CG1 4.26Å; W62-I94 HydrophobicContact CZ2-CG1 4.09Å; W62-I94 HydrophobicContact CZ3-CD1 4.36Å; W62-I94 HydrophobicContact CZ3-CG1 4.3Å; V73-I94 HydrophobicContact CG1-CD1 3.81Å; I79-I94 HydrophobicContact CD1-CG2 3.89Å; V87-I94 HydrophobicContact CG1-CB 3.92Å; V87-I94 HydrophobicContact CG1-CD1 4.47Å; V87-I94 HydrophobicContact CG1-CG2 4.46Å; T88-I94 WeakPolarHBondContact O-CA 3.39Å; F89-I94 HydrophobicContact CD2-CG2 4.25Å; I94-F96 HydrophobicContact CD1-CE2 3.99Å; I94-F96 HydrophobicContact CG1-CE2 4.44Å; I94-Y107 HydrophobicContact CD1-CD1 4.3Å |
| 95 | T | 98.3 | Very high | 96.8 | Very high | 35 Ų | 35 | 48.7 Ų | 48.7 | 22% | 0.215 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 119.9 | 179.8 | -46 | 0 | 0 | 0 | 0 | 110.9 | V46 K47 V87 T88 | V46-T95 CarbonylContact O-C 3.11Å; V46-T95 WeakPolarHBondContact O-CA 3.28Å; K47-T95 HydrophobicContact CB-CG2 4.27Å; V87-T95 CarbonylContact C-O 3.56Å; V87-T95 WeakPolarHBondContact CA-O 3.32Å; T88-T95 PolarHBondContact N-O 2.88Å; T88-T95 PolarHBondContact O-N 2.8Å; T88-T95 PolarHBondContact OG1-O 2.71Å |
| 96 | F | 98.5 | Very high | 96.9 | Very high | 1 Ų | 1 | 46.1 Ų | 46.1 | 0% | 0.004 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 137.2 | 170.2 | -71.1 | -107.9 | 0 | 0 | 0 | 109.9 | P45 V46 L48 Y83 R86 V87 I94 S98 V99 Y107 | P45-F96 WeakPolarHBondContact CA-O 3.38Å; P45-F96 WeakPolarHBondContact CB-O 3.45Å; V46-F96 HydrophobicContact CG1-CB 4.06Å; V46-F96 HydrophobicContact CG1-CD2 4.32Å; V46-F96 HydrophobicContact CG1-CG 4.42Å; V46-F96 PolarHBondContact N-O 3.09Å; V46-F96 VanDerWaalsContact N-O 3.12Å; V46-F96 PolarHBondContact O-N 2.77Å; L48-F96 HydrophobicContact CD1-CE2 4.11Å; L48-F96 HydrophobicContact CG-CE2 4.49Å; Y83-F96 HydrophobicContact CD1-CE1 4.31Å; Y83-F96 HydrophobicContact CE1-CE1 4.43Å; R86-F96 CarbonylContact O-C 3.59Å; R86-F96 WeakPolarHBondContact O-CA 3.47Å; V87-F96 HydrophobicContact CG1-CE2 4.46Å; V87-F96 HydrophobicContact CG2-CD1 3.53Å; V87-F96 HydrophobicContact CG2-CD2 4.28Å; V87-F96 HydrophobicContact CG2-CE1 3.48Å; V87-F96 VanDerWaalsContact CG2-CE1 3.48Å; V87-F96 HydrophobicContact CG2-CE2 4.23Å; V87-F96 HydrophobicContact CG2-CG 3.93Å; V87-F96 HydrophobicContact CG2-CZ 3.83Å; I94-F96 HydrophobicContact CD1-CE2 3.99Å; I94-F96 HydrophobicContact CG1-CE2 4.44Å; F96-S98 VanDerWaalsContact C-N 3.35Å; F96-V99 HydrophobicContact CB-CG1 3.63Å; F96-V99 HydrophobicContact CD1-CG1 3.57Å; F96-V99 HydrophobicContact CD2-CG1 4.37Å; F96-V99 HydrophobicContact CE1-CG1 4.33Å; F96-V99 HydrophobicContact CG-CG1 3.61Å; F96-Y107 HydrophobicContact CE2-CE1 4.17Å; F96-Y107 AromaticContact CZ-CE1 3.72Å; F96-Y107 HydrophobicContact CZ-CE1 3.72Å; F96-Y107 AromaticContact CZ-CZ 3.79Å; F96-Y107 WeakPolarHBondContact CZ-OH 3.16Å |
| 97 | K | 97.9 | Very high | 97 | Very high | 125 Ų | 125 | 43.5 Ų | 43.5 | 54% | 0.543 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -72.4 | -32.3 | 169.5 | -60.6 | 176.2 | -166.8 | 167.3 | 0 | 111.8 | D85 R86 | D85-K97 PolarHBondContact O-NZ 2.86Å; R86-K97 WeakPolarHBondContact O-CG 3.48Å; R86-K97 PolarHBondContact O-N 3.02Å |
| 98 | S | 97.5 | Very high | 97 | Very high | 37 Ų | 37 | 43.3 Ų | 43.3 | 26% | 0.259 | 24% | 0.235 | S | C | . | . | trans | -162 | 145.7 | -178.8 | 174.9 | 0 | 0 | 0 | 0 | 108.1 | N43 N44 F96 | N43-S98 WeakPolarHBondContact CA-OG 3.2Å; N44-S98 WeakPolarHBondContact O-CA 3.35Å; F96-S98 VanDerWaalsContact C-N 3.35Å | ||
| 99 | V | 97.8 | Very high | 97 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 22% | 0.216 | C | C | . | . | trans | -123.4 | 146.9 | 175.8 | -68.2 | 0 | 0 | 0 | 0 | 111.7 | I40 E42 N43 N44 V46 F96 D103 L126 V128 | I40-V99 HydrophobicContact CG2-CG2 3.81Å; E42-V99 VanDerWaalsContact CG-O 3.32Å; E42-V99 WeakPolarHBondContact CG-O 3.37Å; N43-V99 PolarHBondContact N-O 2.78Å; N44-V99 PolarHBondContact O-N 2.85Å; V46-V99 HydrophobicContact CG1-CG1 3.63Å; V46-V99 HydrophobicContact CG1-CG2 4.44Å; F96-V99 HydrophobicContact CB-CG1 3.63Å; F96-V99 HydrophobicContact CD1-CG1 3.57Å; F96-V99 HydrophobicContact CD2-CG1 4.37Å; F96-V99 HydrophobicContact CE1-CG1 4.33Å; F96-V99 HydrophobicContact CG-CG1 3.61Å; V99-D103 WeakPolarHBondContact CA-OD2 3.15Å; V99-D103 HydrophobicContact CB-CB 4.22Å; V99-D103 HydrophobicContact CG1-CB 4.33Å; V99-L126 HydrophobicContact CG1-CD2 4.28Å; V99-V128 HydrophobicContact CB-CG1 4.46Å; V99-V128 HydrophobicContact CB-CG2 3.9Å; V99-V128 HydrophobicContact CG2-CB 4.44Å; V99-V128 HydrophobicContact CG2-CG1 3.83Å; V99-V128 HydrophobicContact CG2-CG2 3.74Å | ||
| 100 | T | 96.4 | Very high | 97 | Very high | 49 Ų | 49 | 39 Ų | 39 | 30% | 0.301 | 21% | 0.211 | S | C | . | . | trans | -110.3 | 167.3 | 173.1 | 69.7 | 0 | 0 | 0 | 0 | 110.3 | E102 D103 V128 | T100-E102 PolarHBondContact O-N 2.81Å; T100-E102 PolarHBondContact OG1-N 3.2Å; T100-D103 PolarHBondContact N-OD2 2.9Å; T100-D103 WeakPolarHBondContact O-CB 3.49Å; T100-D103 PolarHBondContact O-N 2.89Å; T100-V128 WeakPolarHBondContact O-CG2 3.28Å | ||
| 101 | R | 94 | Very high | 97.1 | Very high | 87 Ų | 87 | 35.5 Ų | 35.5 | 33% | 0.328 | 19% | 0.193 | S | C | . | . | G | 310 helix | trans | -50.5 | -26.2 | 172 | 69.4 | -178.3 | 73.3 | 165.8 | -0.1 | 114.5 | E42 D103 T104 V130 D157 | E42-R101 PolarHBondContact OE1-N 3.05Å; E42-R101 IonicContact OE1-NE 3.04Å; R101-D103 VanDerWaalsContact C-N 3.27Å; R101-D103 PolarHBondContact O-N 3.46Å; R101-T104 WeakPolarHBondContact O-CB 3.37Å; R101-T104 PolarHBondContact O-N 3.01Å; R101-T104 PolarHBondContact O-OG1 2.85Å; R101-V130 HydrophobicContact CB-CG2 4.14Å; R101-D157 IonicContact CZ-OD1 2.79Å; R101-D157 VanDerWaalsContact CZ-OD1 3.22Å; R101-D157 IonicContact NH1-OD1 2.69Å; R101-D157 PolarHBondContact NH1-OD1 2.95Å; R101-D157 IonicContact NH2-OD1 2.68Å; R101-D157 PolarHBondContact NH2-OD1 3.14Å |
| 102 | E | 94.1 | Very high | 97.2 | Very high | 143 Ų | 143 | 31.7 Ų | 31.7 | 67% | 0.668 | 17% | 0.169 | S | C | * | . | G | 310 helix | trans | -70.2 | -22.9 | 179.1 | -59.9 | -173.9 | -174 | 0 | 0 | 112.7 | F64 Q66 T100 T104 | F64-E102 WeakPolarHBondContact CZ-O 3.22Å; Q66-E102 PolarHBondContact NE2-O 2.9Å; T100-E102 PolarHBondContact O-N 2.81Å; T100-E102 PolarHBondContact OG1-N 3.2Å; E102-T104 PolarHBondContact O-N 3.18Å |
| 103 | D | 96.8 | Very high | 97.2 | Very high | 3 Ų | 3 | 30 Ų | 30 | 2% | 0.016 | 16% | 0.155 | C | C | . | . | G | 310 helix | trans | -78 | -4.4 | 174.9 | -63 | -57 | 0 | 0 | 0 | 112.8 | R86 V99 T100 R101 G105 Y107 L126 V128 | R86-D103 IonicContact CZ-OD1 3.02Å; R86-D103 IonicContact CZ-OD2 3.77Å; R86-D103 IonicContact NH1-OD1 2.72Å; R86-D103 PolarHBondContact NH1-OD1 3.38Å; R86-D103 IonicContact NH1-OD2 2.93Å; R86-D103 PolarHBondContact NH1-OD2 2.74Å; R86-D103 IonicContact NH2-OD1 3.19Å; R86-D103 PolarHBondContact NH2-OD1 2.91Å; R86-D103 IonicContact NH2-OD2 3.45Å; V99-D103 WeakPolarHBondContact CA-OD2 3.15Å; V99-D103 HydrophobicContact CB-CB 4.22Å; V99-D103 HydrophobicContact CG1-CB 4.33Å; T100-D103 PolarHBondContact N-OD2 2.9Å; T100-D103 WeakPolarHBondContact O-CB 3.49Å; T100-D103 PolarHBondContact O-N 2.89Å; R101-D103 VanDerWaalsContact C-N 3.27Å; R101-D103 PolarHBondContact O-N 3.46Å; D103-G105 PolarHBondContact O-N 2.8Å; D103-G105 VanDerWaalsContact O-N 3.15Å; D103-Y107 WeakPolarHBondContact CB-OH 3.32Å; D103-Y107 WeakPolarHBondContact O-CE2 3.19Å; D103-Y107 PolarHBondContact O-OH 2.9Å; D103-L126 HydrophobicContact CB-CD2 4.21Å; D103-V128 HydrophobicContact CB-CG2 4.17Å |
| 104 | T | 97.4 | Very high | 96.9 | Very high | 33 Ų | 33 | 35 Ų | 35 | 20% | 0.202 | 18% | 0.178 | C | C | . | . | trans | -67.1 | 110.8 | 174 | -70.3 | 0 | 0 | 0 | 0 | 110.5 | Q66 R101 E102 L126 I127 V128 | Q66-T104 PolarHBondContact NE2-O 3.17Å; R101-T104 WeakPolarHBondContact O-CB 3.37Å; R101-T104 PolarHBondContact O-N 3.01Å; R101-T104 PolarHBondContact O-OG1 2.85Å; E102-T104 PolarHBondContact O-N 3.18Å; T104-L126 CarbonylContact C-O 3.49Å; T104-L126 WeakPolarHBondContact CA-O 3.41Å; T104-I127 HydrophobicContact CG2-CG2 4.44Å; T104-V128 WeakPolarHBondContact OG1-CB 3.43Å; T104-V128 PolarHBondContact OG1-N 2.88Å | ||
| 105 | G | 97.6 | Very high | 96.2 | Very high | 11 Ų | 11 | 38.9 Ų | 38.9 | 11% | 0.113 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 179.4 | -170.8 | -175 | 0 | 0 | 0 | 0 | 0 | 113.6 | D103 L126 | D103-G105 PolarHBondContact O-N 2.8Å; D103-G105 VanDerWaalsContact O-N 3.15Å; G105-L126 PolarHBondContact N-O 3.01Å; G105-L126 PolarHBondContact O-N 2.88Å |
| 106 | T | 98.6 | Very high | 95.3 | Very high | 49 Ų | 49 | 39.6 Ų | 39.6 | 30% | 0.301 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 116.9 | 175.9 | -54.2 | 0 | 0 | 0 | 0 | 109.9 | D65 K123 | D65-T106 PolarHBondContact N-O 3.24Å; D65-T106 PolarHBondContact O-N 3.32Å; T106-K123 HydrophobicContact CG2-CB 4.12Å; T106-K123 HydrophobicContact CG2-CG 4.38Å |
| 107 | Y | 98.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 123.5 | 172 | -68.2 | -97.7 | 0 | 0 | 0 | 109.2 | L48 K63 F64 V73 I94 F96 D103 K123 V124 L126 | L48-Y107 HydrophobicContact CD1-CD1 3.73Å; L48-Y107 HydrophobicContact CD1-CD2 3.42Å; L48-Y107 VanDerWaalsContact CD1-CD2 3.42Å; L48-Y107 HydrophobicContact CD1-CE1 4.18Å; L48-Y107 HydrophobicContact CD1-CE2 3.9Å; L48-Y107 HydrophobicContact CD1-CG 3.32Å; K63-Y107 CarbonylContact O-C 3.59Å; K63-Y107 VanDerWaalsContact O-CA 3.28Å; K63-Y107 WeakPolarHBondContact O-CA 3.39Å; F64-Y107 HydrophobicContact CB-CD1 4.14Å; F64-Y107 HydrophobicContact CB-CE1 3.96Å; F64-Y107 HydrophobicContact CD2-CD1 4.28Å; F64-Y107 HydrophobicContact CD2-CD2 4.23Å; F64-Y107 AromaticContact CD2-CE1 3.74Å; F64-Y107 HydrophobicContact CD2-CE1 3.74Å; F64-Y107 AromaticContact CD2-CE2 3.67Å; F64-Y107 HydrophobicContact CD2-CE2 3.67Å; F64-Y107 AromaticContact CD2-CZ 3.41Å; F64-Y107 VanDerWaalsContact CD2-CZ 3.41Å; F64-Y107 HydrophobicContact CE2-CE2 4.09Å; F64-Y107 AromaticContact CE2-CZ 3.99Å; F64-Y107 HydrophobicContact CG-CE1 4.28Å; V73-Y107 HydrophobicContact CG2-CD1 4.16Å; V73-Y107 HydrophobicContact CG2-CE1 3.99Å; I94-Y107 HydrophobicContact CD1-CD1 4.3Å; F96-Y107 HydrophobicContact CE2-CE1 4.17Å; F96-Y107 AromaticContact CZ-CE1 3.72Å; F96-Y107 HydrophobicContact CZ-CE1 3.72Å; F96-Y107 AromaticContact CZ-CZ 3.79Å; F96-Y107 WeakPolarHBondContact CZ-OH 3.16Å; D103-Y107 WeakPolarHBondContact CB-OH 3.32Å; D103-Y107 WeakPolarHBondContact O-CE2 3.19Å; D103-Y107 PolarHBondContact O-OH 2.9Å; Y107-K123 WeakPolarHBondContact O-CA 3.44Å; Y107-V124 PolarHBondContact N-O 3.02Å; Y107-V124 PolarHBondContact O-N 2.82Å; Y107-L126 HydrophobicContact CD2-CB 3.94Å; Y107-L126 HydrophobicContact CE2-CB 3.75Å; Y107-L126 HydrophobicContact CE2-CD2 3.79Å; Y107-L126 HydrophobicContact CE2-CG 4.4Å |
| 108 | T | 98.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 116.5 | 173.5 | -48.3 | 0 | 0 | 0 | 0 | 109.1 | W62 K63 M110 E121 V122 K123 | W62-T108 WeakPolarHBondContact CA-O 3.45Å; K63-T108 WeakPolarHBondContact CE-OG1 3.28Å; K63-T108 PolarHBondContact N-O 3.44Å; K63-T108 PolarHBondContact O-N 2.85Å; T108-M110 HydrophobicContact CG2-CG 3.85Å; T108-E121 HydrophobicContact CG2-CB 3.99Å; T108-E121 HydrophobicContact CG2-CG 4.37Å; T108-V122 CarbonylContact C-O 3.5Å; T108-V122 WeakPolarHBondContact CA-O 3.35Å; T108-K123 HydrophobicContact CG2-CG 3.86Å |
| 109 | C | 98.4 | Very high | 94 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 125.3 | 165.3 | -178.7 | 0 | 0 | 0 | 0 | 108.3 | C50 W62 E121 V122 | C50-C109 HydrophobicContact CB-CB 3.63Å; C50-C109 WeakPolarHBondContact CB-SG 3.03Å; C50-C109 WeakPolarHBondContact SG-CB 3.49Å; C50-C109 CovalentContact SG-SG 2.04Å; C50-C109 PolarHBondContact SG-SG 3.29Å; W62-C109 HydrophobicContact CD2-CB 3.87Å; W62-C109 HydrophobicContact CE3-CB 4Å; W62-C109 HydrophobicContact CH2-CB 3.8Å; W62-C109 HydrophobicContact CZ2-CB 3.63Å; W62-C109 HydrophobicContact CZ3-CB 3.96Å; C109-E121 CarbonylContact O-C 3.18Å; C109-E121 WeakPolarHBondContact O-CA 3.46Å; C109-E121 WeakPolarHBondContact O-CB 3.49Å; C109-V122 HydrophobicContact CB-CG1 3.97Å; C109-V122 PolarHBondContact N-O 2.93Å; C109-V122 PolarHBondContact O-N 3.35Å |
| 110 | M | 97.7 | Very high | 93.9 | Very high | 28 Ų | 28 | 48.3 Ų | 48.3 | 14% | 0.138 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 119.7 | -177.6 | -57.9 | 172.5 | -59.7 | 0 | 0 | 107 | E61 K63 L72 T108 Y119 E121 | E61-M110 HydrophobicContact CB-CE 3.92Å; E61-M110 PolarHBondContact N-O 2.83Å; E61-M110 PolarHBondContact O-N 3.26Å; K63-M110 HydrophobicContact CB-CE 4.08Å; K63-M110 HydrophobicContact CD-CE 4.23Å; K63-M110 HydrophobicContact CD-SD 3.95Å; K63-M110 HydrophobicContact CG-CE 3.86Å; K63-M110 HydrophobicContact CG-SD 4Å; L72-M110 HydrophobicContact CD2-CE 4.48Å; T108-M110 HydrophobicContact CG2-CG 3.85Å; M110-Y119 HydrophobicContact CB-CE2 4.14Å; M110-E121 HydrophobicContact CG-CB 4.3Å |
| 111 | V | 97.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 131.5 | -177.9 | -166.8 | 0 | 0 | 0 | 0 | 109 | V31 Y52 F55 P58 V60 Y119 A120 | V31-V111 HydrophobicContact CG1-CG2 4.05Å; V31-V111 HydrophobicContact CG2-CB 3.79Å; V31-V111 HydrophobicContact CG2-CG2 3.78Å; Y52-V111 HydrophobicContact CD1-CG1 4.24Å; Y52-V111 HydrophobicContact CD1-CG2 3.85Å; Y52-V111 HydrophobicContact CD2-CG1 4.2Å; Y52-V111 HydrophobicContact CE1-CG1 4.5Å; Y52-V111 HydrophobicContact CE1-CG2 4.44Å; Y52-V111 HydrophobicContact CE2-CG1 4.46Å; Y52-V111 HydrophobicContact CG-CG1 4.08Å; Y52-V111 HydrophobicContact CG-CG2 4.2Å; F55-V111 HydrophobicContact CD1-CG1 4.11Å; F55-V111 HydrophobicContact CD2-CB 4.5Å; F55-V111 HydrophobicContact CD2-CG1 3.69Å; F55-V111 HydrophobicContact CE1-CB 4.25Å; F55-V111 HydrophobicContact CE1-CG1 3.85Å; F55-V111 WeakPolarHBondContact CE1-O 3.47Å; F55-V111 HydrophobicContact CE2-CB 3.71Å; F55-V111 HydrophobicContact CE2-CG1 3.38Å; F55-V111 HydrophobicContact CG-CG1 4.03Å; F55-V111 HydrophobicContact CZ-CB 3.54Å; F55-V111 HydrophobicContact CZ-CG1 3.46Å; F55-V111 VanDerWaalsContact CZ-CG1 3.46Å; F55-V111 VanDerWaalsContact CZ-O 3.29Å; F55-V111 WeakPolarHBondContact CZ-O 3.4Å; P58-V111 HydrophobicContact CB-CG1 4.05Å; V60-V111 HydrophobicContact CG1-CG2 4.38Å; V60-V111 HydrophobicContact CG2-CG1 4.12Å; V60-V111 HydrophobicContact CG2-CG2 4.33Å; V111-Y119 WeakPolarHBondContact O-CA 3.46Å; V111-A120 PolarHBondContact N-O 2.67Å; V111-A120 PolarHBondContact O-N 3.37Å |
| 112 | S | 95.9 | Very high | 94.1 | Very high | 10 Ų | 10 | 46.6 Ų | 46.6 | 7% | 0.07 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 149.6 | -175.2 | 58.5 | 0 | 0 | 0 | 0 | 111.3 | R59 N118 | R59-S112 PolarHBondContact N-O 3.07Å; R59-S112 PolarHBondContact NH1-OG 3.33Å; R59-S112 PolarHBondContact NH2-OG 3.44Å; R59-S112 PolarHBondContact O-N 3.04Å; R59-S112 PolarHBondContact O-OG 3.34Å; R59-S112 VanDerWaalsContact O-OG 3.09Å; S112-N118 WeakPolarHBondContact CA-O 3.24Å |
| 113 | E | 94.6 | Very high | 94.3 | Very high | 17 Ų | 17 | 45.1 Ų | 45.1 | 8% | 0.079 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 146.5 | 171.3 | -165.8 | 66.1 | -114.9 | 0 | 0 | 110.3 | F55 S56 S57 R59 G116 N118 | F55-E113 VanDerWaalsContact CA-OE2 3.3Å; F55-E113 WeakPolarHBondContact CA-OE2 3.24Å; F55-E113 HydrophobicContact CD1-CB 4.39Å; S56-E113 PolarHBondContact N-OE1 3.3Å; S56-E113 PolarHBondContact N-OE2 3.47Å; S57-E113 PolarHBondContact N-OE1 2.87Å; R59-E113 PolarHBondContact NH1-O 2.86Å; E113-G116 WeakPolarHBondContact O-CA 3.48Å; E113-G116 PolarHBondContact O-N 2.87Å; E113-N118 HydrophobicContact CB-CB 4.08Å; E113-N118 PolarHBondContact N-O 3.44Å |
| 114 | E | 90 | Very high | 94.4 | Very high | 108 Ų | 108 | 45 Ų | 45 | 51% | 0.505 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | 133.6 | 164.2 | -71.2 | -172.4 | 136.5 | 0 | 0 | 110.4 | S57 G116 | S57-E114 VanDerWaalsContact CB-OE2 3.31Å; S57-E114 WeakPolarHBondContact CB-OE2 3.49Å; S57-E114 PolarHBondContact O-N 2.82Å; S57-E114 PolarHBondContact OG-OE2 2.95Å; E114-G116 PolarHBondContact O-N 3.32Å |
| 115 | G | 84.1 | Confident | 94.4 | Very high | 80 Ų | 80 | 47.6 Ų | 47.6 | 83% | 0.825 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.2 | -8.9 | -165.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 116 | G | 78.4 | Confident | 94.5 | Very high | 50 Ų | 50 | 47.1 Ų | 47.1 | 52% | 0.515 | 26% | 0.264 | S | S | . | . | S | Bend | trans | 83.8 | 8.6 | 164.8 | 0 | 0 | 0 | 0 | 0 | 117 | E113 E114 N118 | E113-G116 WeakPolarHBondContact O-CA 3.48Å; E113-G116 PolarHBondContact O-N 2.87Å; E114-G116 PolarHBondContact O-N 3.32Å; G116-N118 VanDerWaalsContact C-N 3.28Å; G116-N118 PolarHBondContact O-N 2.94Å |
| 117 | N | 82.8 | Confident | 94.4 | Very high | 139 Ų | 139 | 45.3 Ų | 45.3 | 74% | 0.743 | 25% | 0.253 | S | S | * | . | S | Bend | trans | -64.3 | -26.9 | -176.3 | -71.4 | -23 | 0 | 0 | 0 | 114.4 | ||
| 118 | N | 90.8 | Very high | 94.4 | Very high | 60 Ų | 60 | 45.3 Ų | 45.3 | 32% | 0.321 | 25% | 0.253 | S | S | . | . | trans | -130 | 146.3 | 177.2 | -61.3 | -51.4 | 0 | 0 | 0 | 111.4 | V29 F55 S112 E113 G116 | V29-N118 HydrophobicContact CB-CB 4.44Å; V29-N118 HydrophobicContact CG1-CB 4.42Å; V29-N118 HydrophobicContact CG2-CB 3.69Å; V29-N118 VanDerWaalsContact CG2-CG 3.44Å; F55-N118 HydrophobicContact CD1-CB 4.32Å; F55-N118 HydrophobicContact CE1-CB 4.08Å; S112-N118 WeakPolarHBondContact CA-O 3.24Å; E113-N118 HydrophobicContact CB-CB 4.08Å; E113-N118 PolarHBondContact N-O 3.44Å; G116-N118 VanDerWaalsContact C-N 3.28Å; G116-N118 PolarHBondContact O-N 2.94Å | ||
| 119 | Y | 94.3 | Very high | 94.4 | Very high | 126 Ų | 126 | 46.4 Ų | 46.4 | 49% | 0.494 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 141.2 | 172.2 | 176.5 | -90.7 | 0 | 0 | 0 | 110.5 | M110 V111 E121 | M110-Y119 HydrophobicContact CB-CE2 4.14Å; V111-Y119 WeakPolarHBondContact O-CA 3.46Å; Y119-E121 HydrophobicContact CE1-CB 4.26Å; Y119-E121 HydrophobicContact CE1-CG 4.38Å; Y119-E121 PolarHBondContact OH-OE2 3.46Å |
| 120 | A | 95.6 | Very high | 94.4 | Very high | 21 Ų | 21 | 47 Ų | 47 | 17% | 0.174 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155 | 158.1 | 165.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | V29 V31 V111 | V29-A120 HydrophobicContact CG1-CB 4.31Å; V31-A120 HydrophobicContact CB-CB 3.99Å; V31-A120 HydrophobicContact CG2-CB 3.51Å; V111-A120 PolarHBondContact N-O 2.67Å; V111-A120 PolarHBondContact O-N 3.37Å |
| 121 | E | 97.1 | Very high | 94.3 | Very high | 74 Ų | 74 | 48.4 Ų | 48.4 | 35% | 0.346 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 154.6 | -179.5 | 68.1 | 179.3 | -126.4 | 0 | 0 | 112.6 | T108 C109 M110 Y119 K123 | T108-E121 HydrophobicContact CG2-CB 3.99Å; T108-E121 HydrophobicContact CG2-CG 4.37Å; C109-E121 CarbonylContact O-C 3.18Å; C109-E121 WeakPolarHBondContact O-CA 3.46Å; C109-E121 WeakPolarHBondContact O-CB 3.49Å; M110-E121 HydrophobicContact CG-CB 4.3Å; Y119-E121 HydrophobicContact CE1-CB 4.26Å; Y119-E121 HydrophobicContact CE1-CG 4.38Å; Y119-E121 PolarHBondContact OH-OE2 3.46Å; E121-K123 WeakPolarHBondContact OE1-CE 3.48Å; E121-K123 IonicContact OE1-NZ 3.14Å; E121-K123 PolarHBondContact OE1-NZ 2.76Å |
| 122 | V | 97.6 | Very high | 94.3 | Very high | 26 Ų | 26 | 48.8 Ų | 48.8 | 16% | 0.158 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 145.8 | 166.2 | 70 | 0 | 0 | 0 | 0 | 110.9 | V31 T108 C109 | V31-V122 HydrophobicContact CG1-CB 3.98Å; V31-V122 HydrophobicContact CG1-CG1 3.73Å; T108-V122 CarbonylContact C-O 3.5Å; T108-V122 WeakPolarHBondContact CA-O 3.35Å; C109-V122 HydrophobicContact CB-CG1 3.97Å; C109-V122 PolarHBondContact N-O 2.93Å; C109-V122 PolarHBondContact O-N 3.35Å |
| 123 | K | 98.3 | Very high | 94.3 | Very high | 112 Ų | 112 | 50.3 Ų | 50.3 | 49% | 0.487 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 131.3 | 179.8 | -68.2 | 174.3 | -179.9 | 148 | 0 | 109.9 | T106 Y107 T108 E121 | T106-K123 HydrophobicContact CG2-CB 4.12Å; T106-K123 HydrophobicContact CG2-CG 4.38Å; Y107-K123 WeakPolarHBondContact O-CA 3.44Å; T108-K123 HydrophobicContact CG2-CG 3.86Å; E121-K123 WeakPolarHBondContact OE1-CE 3.48Å; E121-K123 IonicContact OE1-NZ 3.14Å; E121-K123 PolarHBondContact OE1-NZ 2.76Å |
| 124 | V | 98.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 115.6 | 177.9 | -178.9 | 0 | 0 | 0 | 0 | 107.4 | S33 V38 L48 Y107 | S33-V124 WeakPolarHBondContact OG-CG2 3.34Å; V38-V124 HydrophobicContact CG2-CG1 3.73Å; L48-V124 HydrophobicContact CB-CG1 4.38Å; L48-V124 HydrophobicContact CD2-CG1 4.05Å; Y107-V124 PolarHBondContact N-O 3.02Å; Y107-V124 PolarHBondContact O-N 2.82Å |
| 125 | K | 98.4 | Very high | 94.9 | Very high | 88 Ų | 88 | 49.4 Ų | 49.4 | 38% | 0.383 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 121.7 | 177.1 | 179.5 | 179.1 | 166.4 | -155.9 | 0 | 109 | P36 E37 V38 I127 | P36-K125 PolarHBondContact O-N 3.13Å; E37-K125 CarbonylContact C-O 3.56Å; E37-K125 WeakPolarHBondContact CA-O 3.31Å; E37-K125 HydrophobicContact CB-CB 4.45Å; E37-K125 HydrophobicContact CG-CB 4.35Å; E37-K125 HydrophobicContact CG-CD 4.22Å; E37-K125 HydrophobicContact CG-CG 4.33Å; E37-K125 WeakPolarHBondContact OE2-CD 3.32Å; E37-K125 WeakPolarHBondContact OE2-CE 3.36Å; E37-K125 IonicContact OE2-NZ 3.42Å; E37-K125 PolarHBondContact OE2-NZ 2.73Å; V38-K125 PolarHBondContact N-O 3.15Å; K125-I127 HydrophobicContact CG-CG1 4.44Å |
| 126 | L | 98.4 | Very high | 95.5 | Very high | 1 Ų | 1 | 50.4 Ų | 50.4 | 1% | 0.005 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 131 | 173.3 | -179.6 | 59.3 | 0 | 0 | 0 | 109.3 | V38 I40 V46 L48 V99 D103 T104 G105 Y107 V128 | V38-L126 HydrophobicContact CB-CD1 4.08Å; V38-L126 HydrophobicContact CG1-CD1 3.97Å; I40-L126 HydrophobicContact CG2-CD1 3.91Å; V46-L126 HydrophobicContact CG1-CD1 4.47Å; V46-L126 HydrophobicContact CG1-CD2 4.5Å; L48-L126 HydrophobicContact CD2-CB 4.44Å; L48-L126 HydrophobicContact CD2-CD1 4.25Å; L48-L126 HydrophobicContact CD2-CD2 4.48Å; V99-L126 HydrophobicContact CG1-CD2 4.28Å; D103-L126 HydrophobicContact CB-CD2 4.21Å; T104-L126 CarbonylContact C-O 3.49Å; T104-L126 WeakPolarHBondContact CA-O 3.41Å; G105-L126 PolarHBondContact N-O 3.01Å; G105-L126 PolarHBondContact O-N 2.88Å; Y107-L126 HydrophobicContact CD2-CB 3.94Å; Y107-L126 HydrophobicContact CE2-CB 3.75Å; Y107-L126 HydrophobicContact CE2-CD2 3.79Å; Y107-L126 HydrophobicContact CE2-CG 4.4Å; L126-V128 HydrophobicContact CD2-CG2 4.09Å; L126-V128 HydrophobicContact CG-CG2 4.04Å |
| 127 | I | 97.8 | Very high | 96.5 | Very high | 12 Ų | 12 | 49.4 Ų | 49.4 | 6% | 0.062 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 109.9 | 168.3 | -49 | 178.1 | 0 | 0 | 0 | 107.8 | E37 V38 R39 I40 T104 K125 L129 | E37-I127 HydrophobicContact CG-CD1 4.17Å; E37-I127 HydrophobicContact CG-CG1 4.5Å; E37-I127 WeakPolarHBondContact OE1-CD1 3.16Å; V38-I127 PolarHBondContact O-N 2.98Å; R39-I127 WeakPolarHBondContact CA-O 3.26Å; R39-I127 HydrophobicContact CG-CB 4.33Å; R39-I127 HydrophobicContact CG-CD1 4.45Å; I40-I127 PolarHBondContact N-O 2.72Å; I40-I127 VanDerWaalsContact N-O 3.16Å; T104-I127 HydrophobicContact CG2-CG2 4.44Å; K125-I127 HydrophobicContact CG-CG1 4.44Å; I127-L129 HydrophobicContact CG2-CD2 3.98Å |
| 128 | V | 98.1 | Very high | 97.2 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 122.5 | 173.7 | -174.6 | 0 | 0 | 0 | 0 | 108.5 | I40 E42 V99 T100 D103 T104 L126 S159 | I40-V128 CarbonylContact O-C 3.58Å; I40-V128 VanDerWaalsContact O-CA 3.3Å; I40-V128 WeakPolarHBondContact O-CA 3.45Å; E42-V128 HydrophobicContact CB-CG1 3.92Å; E42-V128 HydrophobicContact CG-CG1 3.96Å; V99-V128 HydrophobicContact CB-CG1 4.46Å; V99-V128 HydrophobicContact CB-CG2 3.9Å; V99-V128 HydrophobicContact CG2-CB 4.44Å; V99-V128 HydrophobicContact CG2-CG1 3.83Å; V99-V128 HydrophobicContact CG2-CG2 3.74Å; T100-V128 WeakPolarHBondContact O-CG2 3.28Å; D103-V128 HydrophobicContact CB-CG2 4.17Å; T104-V128 WeakPolarHBondContact OG1-CB 3.43Å; T104-V128 PolarHBondContact OG1-N 2.88Å; L126-V128 HydrophobicContact CD2-CG2 4.09Å; L126-V128 HydrophobicContact CG-CG2 4.04Å; V128-S159 VanDerWaalsContact O-CB 3.22Å; V128-S159 WeakPolarHBondContact O-CB 3.31Å; V128-S159 PolarHBondContact O-OG 2.86Å; V128-S159 VanDerWaalsContact O-OG 3.11Å |
| 129 | L | 98.2 | Very high | 97.5 | Very high | 23 Ų | 23 | 44.5 Ų | 44.5 | 12% | 0.12 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 122.3 | -171.3 | -52.4 | 174.6 | 0 | 0 | 0 | 110.9 | R39 I40 E42 I127 S159 Y218 | R39-L129 HydrophobicContact CB-CD1 4.35Å; I40-L129 PolarHBondContact O-N 3.23Å; E42-L129 PolarHBondContact N-O 3.37Å; I127-L129 HydrophobicContact CG2-CD2 3.98Å; L129-S159 CarbonylContact C-O 3.59Å; L129-S159 WeakPolarHBondContact CA-O 3.34Å; L129-Y218 HydrophobicContact CB-CD1 3.66Å; L129-Y218 HydrophobicContact CB-CD2 4.04Å; L129-Y218 HydrophobicContact CB-CE1 3.79Å; L129-Y218 HydrophobicContact CB-CE2 4.19Å; L129-Y218 HydrophobicContact CB-CG 3.79Å; L129-Y218 HydrophobicContact CD1-CD2 3.83Å; L129-Y218 HydrophobicContact CD1-CE2 3.98Å; L129-Y218 HydrophobicContact CD1-CG 4.33Å; L129-Y218 HydrophobicContact CG-CD2 4.49Å |
| 130 | V | 97.6 | Very high | 97.6 | Very high | 11 Ų | 11 | 40.6 Ų | 40.6 | 7% | 0.067 | 22% | 0.224 | C | C | . | . | B | Isolated β-bridge | trans | -130.9 | 128.6 | 176.5 | -177.1 | 0 | 0 | 0 | 0 | 107.7 | E42 R101 D157 S159 N216 | E42-V130 HydrophobicContact CB-CG2 3.89Å; E42-V130 HydrophobicContact CG-CG2 4.14Å; R101-V130 HydrophobicContact CB-CG2 4.14Å; V130-D157 WeakPolarHBondContact CB-O 3.32Å; V130-D157 WeakPolarHBondContact CG1-O 3.37Å; V130-S159 PolarHBondContact N-O 3.23Å; V130-S159 PolarHBondContact O-N 2.72Å; V130-N216 PolarHBondContact O-ND2 2.79Å |
| 131 | P | 97.2 | Very high | 97.6 | Very high | 59 Ų | 59 | 44.1 Ų | 44.1 | 38% | 0.383 | 25% | 0.247 | S | C | . | . | trans | -67.5 | 155.6 | 176.8 | 30.8 | -36 | 0 | 0 | 0 | 111 | ||||
| 132 | P | 97.1 | Very high | 97.6 | Very high | 8 Ų | 8 | 43.9 Ų | 43.9 | 5% | 0.052 | 25% | 0.254 | C | S | . | . | trans | -61.7 | 139.9 | 176.3 | 27.2 | -34.6 | 0 | 0 | 0 | 111 | E155 A214 T220 M222 | P132-E155 HydrophobicContact CB-CG 4.13Å; P132-A214 HydrophobicContact CB-CB 4.12Å; P132-A214 WeakPolarHBondContact CG-O 3.28Å; P132-T220 WeakPolarHBondContact CG-O 3.26Å; P132-M222 HydrophobicContact CG-CG 4.41Å; P132-M222 VanDerWaalsContact O-CG 3.28Å; P132-M222 WeakPolarHBondContact O-CG 3.31Å | ||
| 133 | S | 96.3 | Very high | 97.5 | Very high | 41 Ų | 41 | 43.3 Ų | 43.3 | 29% | 0.287 | 25% | 0.252 | S | S | . | . | trans | -80.2 | -179.4 | 164.6 | 72.8 | 0 | 0 | 0 | 0 | 110.9 | P135 E155 D157 M222 | S133-P135 VanDerWaalsContact O-CD 3.31Å; S133-P135 WeakPolarHBondContact O-CD 3.32Å; S133-E155 PolarHBondContact N-OE1 2.82Å; S133-E155 VanDerWaalsContact O-CG 3.28Å; S133-E155 WeakPolarHBondContact O-CG 3.45Å; S133-E155 PolarHBondContact OG-OE1 2.58Å; S133-D157 WeakPolarHBondContact CB-OD2 3.41Å; S133-D157 PolarHBondContact OG-OD2 3.33Å; S133-M222 WeakPolarHBondContact O-CB 3.37Å | ||
| 134 | K | 97.8 | Very high | 97.3 | Very high | 103 Ų | 103 | 40.3 Ų | 40.3 | 45% | 0.448 | 24% | 0.243 | S | C | . | . | P | Polyproline II helix | trans | -71.1 | 118.2 | -178.2 | -178.5 | 165.3 | 177.3 | 170.7 | 0 | 110.5 | M222 T223 N225 | K134-M222 HydrophobicContact CB-CE 3.99Å; K134-T223 VanDerWaalsContact CE-O 3.31Å; K134-T223 WeakPolarHBondContact CE-O 3.38Å; K134-N225 WeakPolarHBondContact CE-OD1 3.31Å; K134-N225 PolarHBondContact NZ-OD1 3.32Å |
| 135 | P | 98 | Very high | 97.2 | Very high | 4 Ų | 4 | 42.7 Ų | 42.7 | 3% | 0.026 | 26% | 0.255 | C | S | . | . | P | Polyproline II helix | trans | -65.8 | 138.6 | -177.5 | 24.2 | -32.3 | 0 | 0 | 0 | 112.1 | S133 S154 E155 A214 M222 S224 | S133-P135 VanDerWaalsContact O-CD 3.31Å; S133-P135 WeakPolarHBondContact O-CD 3.32Å; P135-S154 CarbonylContact C-O 3.53Å; P135-S154 WeakPolarHBondContact CA-O 3.06Å; P135-E155 HydrophobicContact CB-CB 4.26Å; P135-A214 HydrophobicContact CB-CB 4.14Å; P135-A214 HydrophobicContact CG-CB 3.97Å; P135-M222 WeakPolarHBondContact CD-O 3.37Å; P135-M222 VanDerWaalsContact CG-O 3.28Å; P135-M222 WeakPolarHBondContact CG-O 3.4Å; P135-S224 WeakPolarHBondContact O-CB 3.44Å |
| 136 | T | 98 | Very high | 97 | Very high | 100 Ų | 100 | 40.9 Ų | 40.9 | 61% | 0.613 | 26% | 0.262 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 132.3 | 172.3 | -61.1 | 0 | 0 | 0 | 0 | 109.3 | S154 | T136-S154 PolarHBondContact N-O 2.68Å; T136-S154 PolarHBondContact O-N 2.99Å; T136-S154 PolarHBondContact O-OG 3.08Å |
| 137 | V | 98.1 | Very high | 96.9 | Very high | 29 Ų | 29 | 43.5 Ų | 43.5 | 18% | 0.176 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 142.5 | 179 | -73.8 | 0 | 0 | 0 | 0 | 112.1 | I139 T152 C153 W166 C212 V227 | V137-I139 HydrophobicContact CB-CD1 3.75Å; V137-I139 HydrophobicContact CB-CG1 4.14Å; V137-I139 HydrophobicContact CG1-CD1 4.24Å; V137-I139 HydrophobicContact CG2-CD1 3.85Å; V137-T152 CarbonylContact C-O 3.46Å; V137-T152 WeakPolarHBondContact CA-O 3.48Å; V137-C153 HydrophobicContact CG1-CB 4.14Å; V137-W166 HydrophobicContact CG1-CH2 4.18Å; V137-C212 WeakPolarHBondContact CG1-SG 3.25Å; V137-V227 HydrophobicContact CG2-CG2 4.03Å |
| 138 | S | 98.1 | Very high | 96.8 | Very high | 76 Ų | 76 | 49.8 Ų | 49.8 | 53% | 0.531 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 108.6 | 166 | -169.3 | 0 | 0 | 0 | 0 | 108.3 | L151 T152 | S138-L151 WeakPolarHBondContact O-CA 3.44Å; S138-T152 WeakPolarHBondContact CB-OG1 3.37Å; S138-T152 PolarHBondContact N-O 3.48Å; S138-T152 PolarHBondContact O-N 3.47Å |
| 139 | I | 97.9 | Very high | 96.8 | Very high | 20 Ų | 20 | 50.2 Ų | 50.2 | 10% | 0.103 | 30% | 0.302 | C | S | . | . | trans | -135.3 | 121.2 | -175.4 | -63.1 | 162.3 | 0 | 0 | 0 | 106.4 | V137 L151 W166 V227 M229 | V137-I139 HydrophobicContact CB-CD1 3.75Å; V137-I139 HydrophobicContact CB-CG1 4.14Å; V137-I139 HydrophobicContact CG1-CD1 4.24Å; V137-I139 HydrophobicContact CG2-CD1 3.85Å; I139-L151 HydrophobicContact CB-CG 4.38Å; I139-L151 HydrophobicContact CG1-CB 4.28Å; I139-L151 HydrophobicContact CG1-CD2 4.04Å; I139-L151 HydrophobicContact CG1-CG 4.03Å; I139-L151 HydrophobicContact CG2-CD2 4.02Å; I139-L151 HydrophobicContact CG2-CG 4.19Å; I139-W166 HydrophobicContact CD1-CH2 4.11Å; I139-W166 HydrophobicContact CD1-CZ3 3.93Å; I139-W166 HydrophobicContact CG1-CH2 4.11Å; I139-W166 HydrophobicContact CG1-CZ3 4.32Å; I139-V227 HydrophobicContact CB-CB 3.99Å; I139-V227 HydrophobicContact CB-CG1 3.95Å; I139-V227 HydrophobicContact CD1-CB 3.77Å; I139-V227 HydrophobicContact CD1-CG2 4.05Å; I139-V227 HydrophobicContact CG1-CB 4.48Å; I139-V227 HydrophobicContact CG2-CB 4.05Å; I139-V227 HydrophobicContact CG2-CG1 3.91Å; I139-M229 HydrophobicContact CG2-CB 4.06Å | ||
| 140 | P | 96.3 | Very high | 96.8 | Very high | 45 Ų | 45 | 51.5 Ų | 51.5 | 29% | 0.292 | 31% | 0.311 | S | S | . | . | trans | -71.3 | 139.6 | 177.9 | 30.6 | -33.9 | 0 | 0 | 0 | 110.1 | S142 A143 M229 | P140-S142 VanDerWaalsContact C-N 3.26Å; P140-S142 PolarHBondContact O-N 2.88Å; P140-A143 HydrophobicContact CG-CB 4.25Å; P140-M229 HydrophobicContact CG-SD 4.06Å; P140-M229 WeakPolarHBondContact O-CB 3.32Å; P140-M229 WeakPolarHBondContact O-CG 3.33Å | ||
| 141 | S | 95.8 | Very high | 96.8 | Very high | 94 Ų | 94 | 51 Ų | 51 | 66% | 0.657 | 31% | 0.308 | S | S | * | . | S | Bend | trans | -63.6 | -33.3 | 176.6 | 50.7 | 0 | 0 | 0 | 0 | 112.4 | E230 | S141-E230 PolarHBondContact O-N 2.92Š|
| 142 | S | 95.6 | Very high | 96.9 | Very high | 69 Ų | 69 | 50.4 Ų | 50.4 | 48% | 0.483 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 147.8 | 168.5 | 61.7 | 0 | 0 | 0 | 0 | 112.3 | P140 E230 | P140-S142 VanDerWaalsContact C-N 3.26Å; P140-S142 PolarHBondContact O-N 2.88Å; S142-E230 CarbonylContact C-O 3.4Å; S142-E230 WeakPolarHBondContact CA-O 3.35Å |
| 143 | A | 95.7 | Very high | 96.9 | Very high | 15 Ų | 15 | 50.1 Ų | 50.1 | 12% | 0.124 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 151.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | P140 A149 L202 M229 E230 A231 V232 | P140-A143 HydrophobicContact CG-CB 4.25Å; A143-A149 HydrophobicContact CB-CB 4.14Å; A143-L202 HydrophobicContact CB-CD2 3.49Å; A143-L202 VanDerWaalsContact CB-CD2 3.49Å; A143-M229 HydrophobicContact CB-SD 4.13Å; A143-E230 PolarHBondContact N-O 3.03Å; A143-A231 CarbonylContact O-C 3.59Å; A143-A231 WeakPolarHBondContact O-CA 3.43Å; A143-V232 PolarHBondContact O-N 3.42Å |
| 144 | T | 95.3 | Very high | 97 | Very high | 49 Ų | 49 | 50.6 Ų | 50.6 | 30% | 0.301 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 127.3 | -170.5 | -52.6 | 0 | 0 | 0 | 0 | 112.2 | G146 N147 V232 R234 | T144-G146 PolarHBondContact O-N 3.29Å; T144-N147 WeakPolarHBondContact CB-ND2 3.26Å; T144-N147 WeakPolarHBondContact O-CB 3.31Å; T144-N147 PolarHBondContact O-N 2.83Å; T144-N147 VanDerWaalsContact O-N 3.11Å; T144-V232 CarbonylContact C-O 3.53Å; T144-V232 WeakPolarHBondContact CA-O 3.48Å; T144-R234 HydrophobicContact CG2-CG 3.3Å |
| 145 | I | 96 | Very high | 96.9 | Very high | 49 Ų | 49 | 46.7 Ų | 46.7 | 25% | 0.251 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | 136.1 | 174 | -68.2 | 166.7 | 0 | 0 | 0 | 110.2 | N147 A204 A231 V232 E233 | I145-N147 VanDerWaalsContact C-N 3.26Å; I145-N147 PolarHBondContact O-N 3.49Å; I145-A204 HydrophobicContact CD1-CB 3.86Å; I145-A231 HydrophobicContact CD1-CB 4.28Å; I145-A231 WeakPolarHBondContact CD1-O 3.31Å; I145-A231 HydrophobicContact CG1-CB 3.8Å; I145-V232 PolarHBondContact N-O 2.97Å; I145-E233 HydrophobicContact CD1-CG 3.85Å |
| 146 | G | 94.8 | Very high | 96.5 | Very high | 51 Ų | 51 | 55.2 Ų | 55.2 | 53% | 0.526 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.4 | -8.8 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | T144 L202 | T144-G146 PolarHBondContact O-N 3.29Å; G146-L202 PolarHBondContact N-O 3.35Å |
| 147 | N | 95.1 | Very high | 96.2 | Very high | 55 Ų | 55 | 53 Ų | 53 | 29% | 0.294 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -89.5 | 162.6 | 169.4 | -67.5 | 4.8 | 0 | 0 | 0 | 110.9 | T144 I145 L202 R234 | T144-N147 WeakPolarHBondContact CB-ND2 3.26Å; T144-N147 WeakPolarHBondContact O-CB 3.31Å; T144-N147 PolarHBondContact O-N 2.83Å; T144-N147 VanDerWaalsContact O-N 3.11Å; I145-N147 VanDerWaalsContact C-N 3.26Å; I145-N147 PolarHBondContact O-N 3.49Å; N147-L202 WeakPolarHBondContact O-CB 3.46Å; N147-L202 PolarHBondContact O-N 2.87Å; N147-R234 PolarHBondContact ND2-NH2 3.48Å; N147-R234 PolarHBondContact OD1-NE 3.47Å; N147-R234 PolarHBondContact OD1-NH2 3.4Å |
| 148 | R | 96.9 | Very high | 96.1 | Very high | 144 Ų | 144 | 52.3 Ų | 52.3 | 54% | 0.543 | 31% | 0.308 | S | S | . | . | trans | -68.7 | 135.2 | 161.4 | -175.1 | 178.6 | -179.4 | -103.3 | -3 | 110.7 | V150 V198 F199 D200 | R148-V150 VanDerWaalsContact NH1-CG2 3.34Å; R148-V198 HydrophobicContact CG-CG1 4.12Å; R148-F199 CarbonylContact C-O 3.54Å; R148-F199 VanDerWaalsContact CA-O 3.27Å; R148-F199 WeakPolarHBondContact CA-O 3.44Å; R148-D200 HydrophobicContact CB-CB 4.39Å; R148-D200 VanDerWaalsContact CD-OD2 3.31Å; R148-D200 WeakPolarHBondContact CD-OD2 3.27Å; R148-D200 HydrophobicContact CG-CB 4.1Å; R148-D200 WeakPolarHBondContact CG-OD2 3.41Å; R148-D200 IonicContact NE-OD2 2.74Å | ||
| 149 | A | 97.3 | Very high | 96 | Very high | 9 Ų | 9 | 49.3 Ų | 49.3 | 7% | 0.074 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 147.8 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | A143 V198 F199 L202 | A143-A149 HydrophobicContact CB-CB 4.14Å; A149-V198 CarbonylContact O-C 3.58Å; A149-V198 WeakPolarHBondContact O-CA 3.49Å; A149-F199 HydrophobicContact CB-CB 4.37Å; A149-F199 PolarHBondContact N-O 2.96Å; A149-F199 PolarHBondContact O-N 2.82Å; A149-L202 HydrophobicContact CB-CD1 4.28Å; A149-L202 HydrophobicContact CB-CD2 4.42Å |
| 150 | V | 97.9 | Very high | 95.8 | Very high | 51 Ų | 51 | 50 Ų | 50 | 31% | 0.309 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 125 | 178.8 | -176.4 | 0 | 0 | 0 | 0 | 109.1 | R148 T152 V198 | R148-V150 VanDerWaalsContact NH1-CG2 3.34Å; V150-T152 HydrophobicContact CG1-CG2 4.1Å; V150-V198 HydrophobicContact CG1-CG2 4.29Å; V150-V198 HydrophobicContact CG2-CG1 4.4Å; V150-V198 HydrophobicContact CG2-CG2 4.26Å |
| 151 | L | 98.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 142.9 | 169.7 | -72.1 | 61.9 | 0 | 0 | 0 | 107 | S138 I139 W166 L197 F199 Y210 M229 | S138-L151 WeakPolarHBondContact O-CA 3.44Å; I139-L151 HydrophobicContact CB-CG 4.38Å; I139-L151 HydrophobicContact CG1-CB 4.28Å; I139-L151 HydrophobicContact CG1-CD2 4.04Å; I139-L151 HydrophobicContact CG1-CG 4.03Å; I139-L151 HydrophobicContact CG2-CD2 4.02Å; I139-L151 HydrophobicContact CG2-CG 4.19Å; L151-W166 HydrophobicContact CB-CH2 3.81Å; L151-W166 HydrophobicContact CB-CZ2 4.07Å; L151-W166 HydrophobicContact CB-CZ3 4.48Å; L151-W166 HydrophobicContact CD2-CH2 4.45Å; L151-W166 HydrophobicContact CD2-CZ3 4.35Å; L151-L197 HydrophobicContact CB-CB 4.21Å; L151-L197 HydrophobicContact CD2-CD2 4.04Å; L151-L197 PolarHBondContact N-O 2.89Å; L151-L197 PolarHBondContact O-N 3.35Å; L151-F199 HydrophobicContact CD1-CD2 4.04Å; L151-F199 HydrophobicContact CD1-CE2 3.85Å; L151-F199 HydrophobicContact CD2-CE2 4.17Å; L151-Y210 HydrophobicContact CD2-CD1 3.99Å; L151-Y210 HydrophobicContact CD2-CD2 4.29Å; L151-Y210 HydrophobicContact CD2-CE1 4.44Å; L151-Y210 HydrophobicContact CD2-CG 3.9Å; L151-M229 HydrophobicContact CD1-CE 4.29Å; L151-M229 HydrophobicContact CD1-SD 3.84Å |
| 152 | T | 98.3 | Very high | 95.7 | Very high | 47 Ų | 47 | 49 Ų | 49 | 29% | 0.288 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 148.9 | 176.3 | 70.6 | 0 | 0 | 0 | 0 | 111.6 | V137 S138 V150 E196 | V137-T152 CarbonylContact C-O 3.46Å; V137-T152 WeakPolarHBondContact CA-O 3.48Å; S138-T152 WeakPolarHBondContact CB-OG1 3.37Å; S138-T152 PolarHBondContact N-O 3.48Å; S138-T152 PolarHBondContact O-N 3.47Å; V150-T152 HydrophobicContact CG1-CG2 4.1Å; T152-E196 HydrophobicContact CG2-CG 4.34Å |
| 153 | C | 98.1 | Very high | 95.8 | Very high | 1 Ų | 1 | 49.8 Ų | 49.8 | 1% | 0.007 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 132.2 | 172.8 | 175.8 | 0 | 0 | 0 | 0 | 107.4 | V137 Y164 W166 G195 C212 | V137-C153 HydrophobicContact CG1-CB 4.14Å; C153-Y164 HydrophobicContact CB-CD1 4.28Å; C153-Y164 WeakPolarHBondContact SG-CD1 3.43Å; C153-W166 HydrophobicContact CB-CH2 4.23Å; C153-W166 HydrophobicContact CB-CZ2 3.62Å; C153-G195 PolarHBondContact N-O 2.85Å; C153-G195 WeakPolarHBondContact O-CA 3.42Å; C153-C212 HydrophobicContact CB-CB 3.65Å; C153-C212 WeakPolarHBondContact CB-SG 3.38Å; C153-C212 WeakPolarHBondContact SG-CB 3.48Å; C153-C212 CovalentContact SG-SG 2.02Å; C153-C212 PolarHBondContact SG-SG 2.99Å |
| 154 | S | 97.1 | Very high | 95.9 | Very high | 52 Ų | 52 | 50.1 Ų | 50.1 | 36% | 0.364 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 143.9 | -177.4 | 60.5 | 0 | 0 | 0 | 0 | 113.2 | P135 T136 | P135-S154 CarbonylContact C-O 3.53Å; P135-S154 WeakPolarHBondContact CA-O 3.06Å; T136-S154 PolarHBondContact N-O 2.68Å; T136-S154 PolarHBondContact O-N 2.99Å; T136-S154 PolarHBondContact O-OG 3.08Å |
| 155 | E | 95.8 | Very high | 96.1 | Very high | 20 Ų | 20 | 49.3 Ų | 49.3 | 9% | 0.093 | 27% | 0.274 | C | S | . | . | trans | -140.8 | 153.1 | -175.9 | -165.8 | -82 | 120.9 | 0 | 0 | 107.3 | P132 S133 P135 D157 G158 S162 Y164 A214 | P132-E155 HydrophobicContact CB-CG 4.13Å; S133-E155 PolarHBondContact N-OE1 2.82Å; S133-E155 VanDerWaalsContact O-CG 3.28Å; S133-E155 WeakPolarHBondContact O-CG 3.45Å; S133-E155 PolarHBondContact OG-OE1 2.58Å; P135-E155 HydrophobicContact CB-CB 4.26Å; E155-D157 WeakPolarHBondContact OE1-CA 3.44Å; E155-D157 WeakPolarHBondContact OE1-CB 3.45Å; E155-D157 PolarHBondContact OE1-N 3.05Å; E155-G158 PolarHBondContact OE1-N 3.2Å; E155-G158 WeakPolarHBondContact OE2-CA 3.45Å; E155-G158 PolarHBondContact OE2-N 3.47Å; E155-S162 WeakPolarHBondContact OE2-CB 3.34Å; E155-S162 PolarHBondContact OE2-OG 3.5Å; E155-Y164 HydrophobicContact CB-CE1 3.86Å; E155-Y164 PolarHBondContact N-OH 3.23Å; E155-Y164 PolarHBondContact O-OH 3.39Å; E155-A214 HydrophobicContact CB-CB 4.05Å; E155-A214 HydrophobicContact CG-CB 3.97Å | ||
| 156 | K | 90.8 | Very high | 96.2 | Very high | 183 Ų | 183 | 47.1 Ų | 47.1 | 80% | 0.796 | 26% | 0.262 | S | S | * | . | S | Bend | trans | -138.2 | -5.7 | -164.6 | -69.5 | -171.1 | 178 | -177.7 | 0 | 115.7 | ||
| 157 | D | 92 | Very high | 96.3 | Very high | 54 Ų | 54 | 46.4 Ų | 46.4 | 29% | 0.289 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -106.4 | -30.7 | -175 | -62.8 | -75.6 | 0 | 0 | 0 | 112.5 | R101 V130 S133 E155 S159 | R101-D157 IonicContact CZ-OD1 2.79Å; R101-D157 VanDerWaalsContact CZ-OD1 3.22Å; R101-D157 IonicContact NH1-OD1 2.69Å; R101-D157 PolarHBondContact NH1-OD1 2.95Å; R101-D157 IonicContact NH2-OD1 2.68Å; R101-D157 PolarHBondContact NH2-OD1 3.14Å; V130-D157 WeakPolarHBondContact CB-O 3.32Å; V130-D157 WeakPolarHBondContact CG1-O 3.37Å; S133-D157 WeakPolarHBondContact CB-OD2 3.41Å; S133-D157 PolarHBondContact OG-OD2 3.33Å; E155-D157 WeakPolarHBondContact OE1-CA 3.44Å; E155-D157 WeakPolarHBondContact OE1-CB 3.45Å; E155-D157 PolarHBondContact OE1-N 3.05Å; D157-S159 PolarHBondContact O-N 2.86Å |
| 158 | G | 94.6 | Very high | 96.5 | Very high | 14 Ų | 14 | 45.1 Ų | 45.1 | 14% | 0.144 | 24% | 0.237 | C | C | . | . | trans | -53.3 | 120.8 | 178 | 0 | 0 | 0 | 0 | 0 | 112.9 | E155 P160 | E155-G158 PolarHBondContact OE1-N 3.2Å; E155-G158 WeakPolarHBondContact OE2-CA 3.45Å; E155-G158 PolarHBondContact OE2-N 3.47Å; G158-P160 CarbonylContact C-O 3.5Å; G158-P160 CarbonylContact O-C 3.55Å; G158-P160 VanDerWaalsContact O-O 3.11Å | ||
| 159 | S | 96.1 | Very high | 96.5 | Very high | 13 Ų | 13 | 42.3 Ų | 42.3 | 9% | 0.091 | 23% | 0.232 | C | C | . | . | B | Isolated β-bridge | trans | -129.9 | 117.8 | 171.3 | -159.1 | 0 | 0 | 0 | 0 | 109 | V128 L129 V130 D157 N216 | V128-S159 VanDerWaalsContact O-CB 3.22Å; V128-S159 WeakPolarHBondContact O-CB 3.31Å; V128-S159 PolarHBondContact O-OG 2.86Å; V128-S159 VanDerWaalsContact O-OG 3.11Å; L129-S159 CarbonylContact C-O 3.59Å; L129-S159 WeakPolarHBondContact CA-O 3.34Å; V130-S159 PolarHBondContact N-O 3.23Å; V130-S159 PolarHBondContact O-N 2.72Å; D157-S159 PolarHBondContact O-N 2.86Å; S159-N216 PolarHBondContact N-ND2 2.89Å; S159-N216 PolarHBondContact O-ND2 3.11Å |
| 160 | P | 94.8 | Very high | 96.4 | Very high | 36 Ų | 36 | 44.9 Ų | 44.9 | 23% | 0.234 | 26% | 0.26 | C | S | . | . | S | Bend | cis | -60.7 | 167.5 | -1.3 | 29.9 | -36.8 | 0 | 0 | 0 | 112.9 | G158 N216 | G158-P160 CarbonylContact C-O 3.5Å; G158-P160 CarbonylContact O-C 3.55Å; G158-P160 VanDerWaalsContact O-O 3.11Å; P160-N216 HydrophobicContact CG-CB 4.34Å; P160-N216 WeakPolarHBondContact O-CB 3.31Å; P160-N216 PolarHBondContact O-ND2 3.4Å |
| 161 | P | 93.7 | Very high | 96.3 | Very high | 110 Ų | 110 | 47.1 Ų | 47.1 | 71% | 0.714 | 27% | 0.269 | S | S | * | . | P | Polyproline II helix | trans | -56 | 143.2 | -179.5 | -27 | 35.9 | 0 | 0 | 0 | 113.4 | ||
| 162 | S | 96.7 | Very high | 96.3 | Very high | 6 Ų | 6 | 50.8 Ų | 50.8 | 4% | 0.042 | 29% | 0.292 | C | S | . | . | P | Polyproline II helix | trans | -74.3 | 138.9 | -176.4 | -67.4 | 0 | 0 | 0 | 0 | 113.8 | E155 Y164 | E155-S162 WeakPolarHBondContact OE2-CB 3.34Å; E155-S162 PolarHBondContact OE2-OG 3.5Å; S162-Y164 WeakPolarHBondContact O-CE2 3.39Å |
| 163 | E | 97.3 | Very high | 96.2 | Very high | 87 Ų | 87 | 48.9 Ų | 48.9 | 41% | 0.407 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 146.1 | 159.7 | -69.1 | 179.2 | -168.2 | 0 | 0 | 110 | P192 R215 | E163-P192 CarbonylContact C-O 3.59Å; E163-P192 VanDerWaalsContact CA-O 3.25Å; E163-P192 WeakPolarHBondContact CA-O 3.47Å; E163-R215 PolarHBondContact N-O 2.83Å; E163-R215 WeakPolarHBondContact O-CG 3.46Å; E163-R215 PolarHBondContact O-N 2.91Å; E163-R215 IonicContact OE2-CZ 3.23Å; E163-R215 IonicContact OE2-NH1 2.72Å; E163-R215 PolarHBondContact OE2-NH1 2.95Å; E163-R215 IonicContact OE2-NH2 3.22Å; E163-R215 PolarHBondContact OE2-NH2 3.34Å |
| 164 | Y | 98 | Very high | 96 | Very high | 21 Ų | 21 | 50.2 Ų | 50.2 | 8% | 0.082 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 129.5 | -175.7 | -56.7 | -78 | 0 | 0 | 0 | 111.9 | C153 E155 S162 P192 G195 E213 A214 | C153-Y164 HydrophobicContact CB-CD1 4.28Å; C153-Y164 WeakPolarHBondContact SG-CD1 3.43Å; E155-Y164 HydrophobicContact CB-CE1 3.86Å; E155-Y164 PolarHBondContact N-OH 3.23Å; E155-Y164 PolarHBondContact O-OH 3.39Å; S162-Y164 WeakPolarHBondContact O-CE2 3.39Å; Y164-P192 WeakPolarHBondContact CD2-O 3.41Å; Y164-P192 PolarHBondContact N-O 3.49Å; Y164-G195 VanDerWaalsContact CD2-CA 3.45Å; Y164-E213 CarbonylContact C-O 3.6Å; Y164-E213 WeakPolarHBondContact CA-O 3.35Å; Y164-A214 HydrophobicContact CD1-CB 4.06Å; Y164-A214 HydrophobicContact CE1-CB 3.99Å |
| 165 | T | 98.1 | Very high | 95.8 | Very high | 33 Ų | 33 | 52.2 Ų | 52.2 | 20% | 0.202 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 119.3 | 172.1 | -58.3 | 0 | 0 | 0 | 0 | 109 | F167 V172 C212 E213 | T165-F167 HydrophobicContact CG2-CE2 3.84Å; T165-F167 HydrophobicContact CG2-CZ 4.12Å; T165-F167 WeakPolarHBondContact O-CD2 3.34Å; T165-F167 WeakPolarHBondContact O-CE2 3.49Å; T165-V172 HydrophobicContact CG2-CG1 3.81Å; T165-V172 HydrophobicContact CG2-CG2 4.48Å; T165-C212 CarbonylContact O-C 3.59Å; T165-C212 WeakPolarHBondContact O-CA 3.47Å; T165-E213 PolarHBondContact N-O 2.81Å; T165-E213 PolarHBondContact O-N 2.86Å |
| 166 | W | 98.4 | Very high | 95.6 | Very high | 2 Ų | 2 | 55.6 Ų | 55.6 | 1% | 0.008 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 146.9 | 176.5 | -84.3 | 98.2 | 0 | 0 | 0 | 111.8 | V137 I139 L151 C153 M173 G195 L197 S211 C212 | V137-W166 HydrophobicContact CG1-CH2 4.18Å; I139-W166 HydrophobicContact CD1-CH2 4.11Å; I139-W166 HydrophobicContact CD1-CZ3 3.93Å; I139-W166 HydrophobicContact CG1-CH2 4.11Å; I139-W166 HydrophobicContact CG1-CZ3 4.32Å; L151-W166 HydrophobicContact CB-CH2 3.81Å; L151-W166 HydrophobicContact CB-CZ2 4.07Å; L151-W166 HydrophobicContact CB-CZ3 4.48Å; L151-W166 HydrophobicContact CD2-CH2 4.45Å; L151-W166 HydrophobicContact CD2-CZ3 4.35Å; C153-W166 HydrophobicContact CB-CH2 4.23Å; C153-W166 HydrophobicContact CB-CZ2 3.62Å; W166-M173 HydrophobicContact CB-CB 4.2Å; W166-M173 HydrophobicContact CB-CG 4.35Å; W166-M173 HydrophobicContact CB-SD 3.98Å; W166-M173 PolarHBondContact O-N 2.89Å; W166-G195 WeakPolarHBondContact CZ2-O 3.32Å; W166-G195 PolarHBondContact NE1-O 2.97Å; W166-L197 HydrophobicContact CB-CD2 4.4Å; W166-L197 HydrophobicContact CD2-CB 4.03Å; W166-L197 HydrophobicContact CD2-CD2 3.72Å; W166-L197 HydrophobicContact CE3-CD2 3.84Å; W166-L197 HydrophobicContact CG-CB 4.2Å; W166-L197 HydrophobicContact CG-CD2 3.99Å; W166-L197 HydrophobicContact CZ2-CB 4.06Å; W166-L197 HydrophobicContact CZ3-CD2 4.39Å; W166-S211 VanDerWaalsContact CE3-O 3.25Å; W166-C212 HydrophobicContact CD2-CB 4.17Å; W166-C212 HydrophobicContact CE3-CB 4.21Å; W166-C212 HydrophobicContact CZ3-CB 4.5Å |
| 167 | F | 98.3 | Very high | 95.4 | Very high | 37 Ų | 37 | 47.6 Ų | 47.6 | 16% | 0.162 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 145.2 | 176.6 | -61.9 | -107.8 | 0 | 0 | 0 | 109.7 | T165 I171 V172 Y210 S211 E213 | T165-F167 HydrophobicContact CG2-CE2 3.84Å; T165-F167 HydrophobicContact CG2-CZ 4.12Å; T165-F167 WeakPolarHBondContact O-CD2 3.34Å; T165-F167 WeakPolarHBondContact O-CE2 3.49Å; F167-I171 CarbonylContact C-O 3.53Å; F167-I171 VanDerWaalsContact CA-O 3.27Å; F167-I171 WeakPolarHBondContact CA-O 3.48Å; F167-V172 HydrophobicContact CD1-CG2 3.86Å; F167-V172 HydrophobicContact CE1-CG2 3.4Å; F167-V172 HydrophobicContact CZ-CG2 3.95Å; F167-Y210 WeakPolarHBondContact O-CA 3.41Å; F167-S211 PolarHBondContact N-O 2.65Å; F167-S211 PolarHBondContact O-N 3Å; F167-S211 VanDerWaalsContact O-N 3.16Å; F167-E213 HydrophobicContact CE2-CB 3.69Å; F167-E213 HydrophobicContact CZ-CB 4.32Å |
| 168 | K | 97.9 | Very high | 95.3 | Very high | 28 Ų | 28 | 53 Ų | 53 | 12% | 0.122 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 125.8 | 168.8 | -169.7 | -158.5 | 179.8 | -150.3 | 0 | 109.2 | G170 I171 M173 F183 S205 T207 E209 Y210 | K168-G170 PolarHBondContact O-N 2.85Å; K168-G170 VanDerWaalsContact O-N 3.16Å; K168-I171 PolarHBondContact N-O 2.88Å; K168-I171 WeakPolarHBondContact O-CA 3.01Å; K168-I171 WeakPolarHBondContact O-CB 3.35Å; K168-I171 PolarHBondContact O-N 2.83Å; K168-M173 HydrophobicContact CB-CG 4.09Å; K168-M173 HydrophobicContact CB-SD 4Å; K168-F183 HydrophobicContact CB-CE1 4.06Å; K168-F183 HydrophobicContact CB-CZ 4.31Å; K168-F183 HydrophobicContact CD-CE1 4.18Å; K168-S205 PolarHBondContact NZ-O 2.8Å; K168-T207 WeakPolarHBondContact CE-O 3.34Å; K168-T207 PolarHBondContact NZ-O 2.76Å; K168-E209 CarbonylContact C-O 3.51Å; K168-E209 WeakPolarHBondContact CA-O 3.37Å; K168-Y210 HydrophobicContact CB-CD1 4.17Å; K168-Y210 HydrophobicContact CB-CE1 3.83Å; K168-Y210 HydrophobicContact CD-CE1 4.2Å; K168-Y210 HydrophobicContact CD-CE2 4.46Å; K168-Y210 WeakPolarHBondContact CD-OH 3.34Å; K168-Y210 WeakPolarHBondContact CE-OH 3.02Å; K168-Y210 HydrophobicContact CG-CD1 4.19Å; K168-Y210 HydrophobicContact CG-CE1 3.66Å; K168-Y210 HydrophobicContact CG-CE2 4.04Å |
| 169 | D | 97.3 | Very high | 95.1 | Very high | 84 Ų | 84 | 55.8 Ų | 55.8 | 45% | 0.449 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.9 | 35.3 | -179.5 | -50.5 | -52.9 | 0 | 0 | 0 | 111.9 | I171 G208 E209 | D169-I171 VanDerWaalsContact C-N 3.31Å; D169-I171 PolarHBondContact O-N 2.88Å; D169-G208 WeakPolarHBondContact OD1-CA 3.39Å; D169-E209 PolarHBondContact N-O 3.23Å; D169-E209 PolarHBondContact OD1-N 3Å |
| 170 | G | 96 | Very high | 94.6 | Very high | 64 Ų | 64 | 57.8 Ų | 57.8 | 66% | 0.66 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.7 | -5.1 | -174.7 | 0 | 0 | 0 | 0 | 0 | 116 | K168 | K168-G170 PolarHBondContact O-N 2.85Å; K168-G170 VanDerWaalsContact O-N 3.16Å |
| 171 | I | 95.9 | Very high | 94.2 | Very high | 97 Ų | 97 | 67.5 Ų | 67.5 | 50% | 0.497 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 128.9 | -177.4 | -52.7 | 177.3 | 0 | 0 | 0 | 110.3 | F167 K168 D169 M173 F183 | F167-I171 CarbonylContact C-O 3.53Å; F167-I171 VanDerWaalsContact CA-O 3.27Å; F167-I171 WeakPolarHBondContact CA-O 3.48Å; K168-I171 PolarHBondContact N-O 2.88Å; K168-I171 WeakPolarHBondContact O-CA 3.01Å; K168-I171 WeakPolarHBondContact O-CB 3.35Å; K168-I171 PolarHBondContact O-N 2.83Å; D169-I171 VanDerWaalsContact C-N 3.31Å; D169-I171 PolarHBondContact O-N 2.88Å; I171-M173 PolarHBondContact O-N 2.02Å; I171-F183 HydrophobicContact CB-CZ 4.42Å; I171-F183 HydrophobicContact CG2-CE2 3.98Å; I171-F183 HydrophobicContact CG2-CZ 4.2Å |
| 172 | V | 96.9 | Very high | 93.9 | Very high | 78 Ų | 78 | 65.8 Ų | 65.8 | 47% | 0.473 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.5 | 127.1 | 174.1 | 176.2 | 0 | 0 | 0 | 0 | 110.8 | T165 F167 P174 F183 | T165-V172 HydrophobicContact CG2-CG1 3.81Å; T165-V172 HydrophobicContact CG2-CG2 4.48Å; F167-V172 HydrophobicContact CD1-CG2 3.86Å; F167-V172 HydrophobicContact CE1-CG2 3.4Å; F167-V172 HydrophobicContact CZ-CG2 3.95Å; V172-P174 WeakPolarHBondContact O-CD 3.25Å; V172-F183 WeakPolarHBondContact O-CE2 3.45Å |
| 173 | M | 96.8 | Very high | 93.6 | Very high | 7 Ų | 7 | 66.2 Ų | 66.2 | 3% | 0.034 | 36% | 0.362 | C | S | . | . | P | Polyproline II helix | trans | -82.6 | 117.9 | 174.9 | -62.1 | -175.6 | 68.1 | 0 | 0 | 110 | W166 K168 I171 F183 Y188 L190 L197 F199 Y210 | W166-M173 HydrophobicContact CB-CB 4.2Å; W166-M173 HydrophobicContact CB-CG 4.35Å; W166-M173 HydrophobicContact CB-SD 3.98Å; W166-M173 PolarHBondContact O-N 2.89Å; K168-M173 HydrophobicContact CB-CG 4.09Å; K168-M173 HydrophobicContact CB-SD 4Å; I171-M173 PolarHBondContact O-N 2.02Å; M173-F183 HydrophobicContact CB-CZ 4.46Å; M173-F183 HydrophobicContact CE-CD1 4.5Å; M173-F183 HydrophobicContact CE-CE1 4.31Å; M173-F183 HydrophobicContact CG-CE1 3.86Å; M173-F183 HydrophobicContact CG-CZ 3.83Å; M173-Y188 HydrophobicContact CE-CD1 3.45Å; M173-Y188 VanDerWaalsContact CE-CD1 3.45Å; M173-Y188 HydrophobicContact CE-CD2 4.28Å; M173-Y188 HydrophobicContact CE-CE1 3.31Å; M173-Y188 HydrophobicContact CE-CE2 4.2Å; M173-Y188 HydrophobicContact CE-CG 3.97Å; M173-L190 HydrophobicContact CB-CD2 4.04Å; M173-L197 HydrophobicContact CE-CD1 3.82Å; M173-L197 HydrophobicContact CE-CD2 3.93Å; M173-L197 HydrophobicContact SD-CD2 3.76Å; M173-F199 HydrophobicContact CE-CZ 4.34Å; M173-Y210 HydrophobicContact CE-CE1 4.16Å; M173-Y210 HydrophobicContact SD-CD1 4.06Å; M173-Y210 HydrophobicContact SD-CE1 3.72Å |
| 174 | P | 94.5 | Very high | 93.3 | Very high | 29 Ų | 29 | 64.3 Ų | 64.3 | 19% | 0.188 | 36% | 0.358 | C | S | . | . | P | Polyproline II helix | trans | -70.9 | 146.3 | 177.9 | 29.4 | -35.7 | 0 | 0 | 0 | 111.5 | V172 N176 S179 T180 F183 Y188 | V172-P174 WeakPolarHBondContact O-CD 3.25Å; P174-N176 CarbonylContact O-C 3.53Å; P174-N176 PolarHBondContact O-N 3.05Å; P174-S179 WeakPolarHBondContact CB-OG 3.32Å; P174-T180 HydrophobicContact CG-CG2 4.02Å; P174-F183 HydrophobicContact CG-CD2 4.01Å; P174-Y188 VanDerWaalsContact CD-OH 3.24Å; P174-Y188 WeakPolarHBondContact CD-OH 3.21Å; P174-Y188 VanDerWaalsContact O-CE2 3.31Å; P174-Y188 WeakPolarHBondContact O-CE2 3.36Å; P174-Y188 PolarHBondContact O-OH 2.83Å |
| 175 | T | 91.9 | Very high | 93 | Very high | 94 Ų | 94 | 69.6 Ų | 69.6 | 58% | 0.577 | 39% | 0.388 | S | S | * | . | S | Bend | trans | -55.1 | -25.8 | -179.3 | -39.9 | 0 | 0 | 0 | 0 | 114.1 | L190 P192 | T175-L190 HydrophobicContact CG2-CD1 3.96Å; T175-P192 HydrophobicContact CG2-CG 4.41Å |
| 176 | N | 90.9 | Very high | 92.7 | Very high | 91 Ų | 91 | 68.6 Ų | 68.6 | 49% | 0.487 | 38% | 0.382 | S | S | . | . | S | Bend | trans | -116.9 | 114 | 170.5 | 176.3 | -6.6 | 0 | 0 | 0 | 109.2 | P174 K178 S179 | P174-N176 CarbonylContact O-C 3.53Å; P174-N176 PolarHBondContact O-N 3.05Å; N176-K178 PolarHBondContact O-N 2.89Å; N176-K178 WeakPolarHBondContact OD1-CB 3.49Å; N176-K178 PolarHBondContact OD1-N 3.28Å; N176-S179 WeakPolarHBondContact O-CB 3.42Å; N176-S179 PolarHBondContact O-N 3.26Å; N176-S179 VanDerWaalsContact O-N 3.12Å; N176-S179 PolarHBondContact O-OG 2.84Å |
| 177 | P | 88.1 | Confident | 92.5 | Very high | 14 Ų | 14 | 70.5 Ų | 70.5 | 9% | 0.091 | 40% | 0.396 | C | S | . | . | G | 310 helix | trans | -57 | -36 | -179.4 | 19.9 | -31.7 | 0 | 0 | 0 | 113.1 | S179 T180 F183 S184 S186 Y188 | P177-S179 PolarHBondContact O-N 3.16Å; P177-S179 VanDerWaalsContact O-N 3.15Å; P177-T180 PolarHBondContact O-N 2.82Å; P177-F183 HydrophobicContact CB-CB 4.28Å; P177-F183 WeakPolarHBondContact CB-O 3.39Å; P177-F183 CarbonylContact O-C 3.31Å; P177-F183 VanDerWaalsContact O-C 3.31Å; P177-S184 PolarHBondContact O-N 2.91Å; P177-S186 WeakPolarHBondContact CB-O 3.4Å; P177-Y188 HydrophobicContact CB-CD1 4.11Å; P177-Y188 HydrophobicContact CB-CE1 3.69Å; P177-Y188 HydrophobicContact CB-CE2 4.18Å; P177-Y188 HydrophobicContact CG-CD2 4.47Å; P177-Y188 HydrophobicContact CG-CE2 4.33Å; P177-Y188 WeakPolarHBondContact CG-O 3.43Å |
| 178 | K | 90.1 | Very high | 92.5 | Very high | 169 Ų | 169 | 69 Ų | 69 | 74% | 0.735 | 39% | 0.389 | S | S | * | . | G | 310 helix | trans | -73.6 | -3.7 | -176.9 | -58.6 | -171.9 | 179.5 | -177 | 0 | 114 | N176 T180 | N176-K178 PolarHBondContact O-N 2.89Å; N176-K178 WeakPolarHBondContact OD1-CB 3.49Å; N176-K178 PolarHBondContact OD1-N 3.28Å; K178-T180 VanDerWaalsContact C-N 3.34Å |
| 179 | S | 88.9 | Confident | 92.4 | Very high | 72 Ų | 72 | 72.6 Ų | 72.6 | 50% | 0.503 | 41% | 0.413 | S | S | . | . | G | 310 helix | trans | -75 | -18.7 | 175.8 | 65 | 0 | 0 | 0 | 0 | 114.1 | P174 N176 P177 | P174-S179 WeakPolarHBondContact CB-OG 3.32Å; N176-S179 WeakPolarHBondContact O-CB 3.42Å; N176-S179 PolarHBondContact O-N 3.26Å; N176-S179 VanDerWaalsContact O-N 3.12Å; N176-S179 PolarHBondContact O-OG 2.84Å; P177-S179 PolarHBondContact O-N 3.16Å; P177-S179 VanDerWaalsContact O-N 3.15Å |
| 180 | T | 87.3 | Confident | 92.3 | Very high | 55 Ų | 55 | 69.3 Ų | 69.3 | 34% | 0.337 | 40% | 0.395 | S | S | . | . | S | Bend | trans | -136.6 | 149.4 | -177.6 | 68.7 | 0 | 0 | 0 | 0 | 111.9 | P174 P177 K178 A182 F183 S184 | P174-T180 HydrophobicContact CG-CG2 4.02Å; P177-T180 PolarHBondContact O-N 2.82Å; K178-T180 VanDerWaalsContact C-N 3.34Å; T180-A182 PolarHBondContact O-N 2.73Å; T180-F183 PolarHBondContact O-N 2.93Å; T180-S184 WeakPolarHBondContact O-CB 3.21Å; T180-S184 PolarHBondContact O-N 2.79Å |
| 181 | R | 86.3 | Confident | 92.3 | Very high | 239 Ų | 239 | 69.1 Ų | 69.1 | 90% | 0.902 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | -19.4 | 178.7 | -64.1 | -173.3 | -178.1 | -167.5 | 1.1 | 114.1 | S184 | R181-S184 PolarHBondContact O-OG 2.69Š|
| 182 | A | 85.8 | Confident | 92.3 | Very high | 74 Ų | 74 | 66.4 Ų | 66.4 | 61% | 0.612 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72 | -32.5 | 177 | 0 | 0 | 0 | 0 | 0 | 112.1 | T180 | T180-A182 PolarHBondContact O-N 2.73Š|
| 183 | F | 92.1 | Very high | 92.2 | Very high | 15 Ų | 15 | 67.7 Ų | 67.7 | 7% | 0.066 | 38% | 0.376 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -116 | -3.3 | -174.2 | -64.3 | -74 | 0 | 0 | 0 | 114 | K168 I171 V172 M173 P174 P177 T180 N185 S186 Y188 | K168-F183 HydrophobicContact CB-CE1 4.06Å; K168-F183 HydrophobicContact CB-CZ 4.31Å; K168-F183 HydrophobicContact CD-CE1 4.18Å; I171-F183 HydrophobicContact CB-CZ 4.42Å; I171-F183 HydrophobicContact CG2-CE2 3.98Å; I171-F183 HydrophobicContact CG2-CZ 4.2Å; V172-F183 WeakPolarHBondContact O-CE2 3.45Å; M173-F183 HydrophobicContact CB-CZ 4.46Å; M173-F183 HydrophobicContact CE-CD1 4.5Å; M173-F183 HydrophobicContact CE-CE1 4.31Å; M173-F183 HydrophobicContact CG-CE1 3.86Å; M173-F183 HydrophobicContact CG-CZ 3.83Å; P174-F183 HydrophobicContact CG-CD2 4.01Å; P177-F183 HydrophobicContact CB-CB 4.28Å; P177-F183 WeakPolarHBondContact CB-O 3.39Å; P177-F183 CarbonylContact O-C 3.31Å; P177-F183 VanDerWaalsContact O-C 3.31Å; T180-F183 PolarHBondContact O-N 2.93Å; F183-N185 PolarHBondContact O-N 3.38Å; F183-S186 WeakPolarHBondContact O-CB 3.4Å; F183-S186 PolarHBondContact O-N 2.96Å; F183-Y188 HydrophobicContact CB-CE1 3.99Å; F183-Y188 AromaticContact CD1-CE1 3.84Å; F183-Y188 HydrophobicContact CD1-CE1 3.84Å; F183-Y188 HydrophobicContact CG-CE1 4.13Å |
| 184 | S | 90.4 | Very high | 92.1 | Very high | 48 Ų | 48 | 70.6 Ų | 70.6 | 34% | 0.336 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -20.1 | -176.4 | 58.1 | 0 | 0 | 0 | 0 | 115.6 | P177 T180 R181 | P177-S184 PolarHBondContact O-N 2.91Å; T180-S184 WeakPolarHBondContact O-CB 3.21Å; T180-S184 PolarHBondContact O-N 2.79Å; R181-S184 PolarHBondContact O-OG 2.69Å |
| 185 | N | 90.4 | Very high | 92.3 | Very high | 132 Ų | 132 | 69.2 Ų | 69.2 | 71% | 0.706 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.6 | -0.7 | 178.9 | -62.5 | 5.8 | 0 | 0 | 0 | 112.8 | F183 | F183-N185 PolarHBondContact O-N 3.38Š|
| 186 | S | 93.3 | Very high | 92.5 | Very high | 11 Ų | 11 | 68.7 Ų | 68.7 | 8% | 0.077 | 38% | 0.376 | C | S | . | . | trans | -102 | 141.4 | 179.8 | -166.6 | 0 | 0 | 0 | 0 | 111.2 | P177 F183 Y188 D206 | P177-S186 WeakPolarHBondContact CB-O 3.4Å; F183-S186 WeakPolarHBondContact O-CB 3.4Å; F183-S186 PolarHBondContact O-N 2.96Å; S186-Y188 WeakPolarHBondContact OG-CD1 3.45Å; S186-D206 VanDerWaalsContact CB-OD1 3.25Å; S186-D206 WeakPolarHBondContact CB-OD1 3.47Å; S186-D206 VanDerWaalsContact OG-CG 3.31Å; S186-D206 PolarHBondContact OG-OD1 2.85Å | ||
| 187 | S | 94.4 | Very high | 92.9 | Very high | 43 Ų | 43 | 64.3 Ų | 64.3 | 30% | 0.301 | 35% | 0.353 | S | S | . | . | trans | -104.3 | 47.8 | -178.4 | 22.6 | 0 | 0 | 0 | 0 | 111.7 | D200 P201 | S187-D200 PolarHBondContact O-N 2.88Å; S187-P201 PolarHBondContact OG-O 2.77Å | ||
| 188 | Y | 96.6 | Very high | 93.4 | Very high | 5 Ų | 5 | 64.7 Ų | 64.7 | 2% | 0.02 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 154.9 | 176.4 | 74.9 | -107.5 | 0 | 0 | 0 | 114.3 | M173 P174 P177 F183 S186 L190 L197 V198 F199 | M173-Y188 HydrophobicContact CE-CD1 3.45Å; M173-Y188 VanDerWaalsContact CE-CD1 3.45Å; M173-Y188 HydrophobicContact CE-CD2 4.28Å; M173-Y188 HydrophobicContact CE-CE1 3.31Å; M173-Y188 HydrophobicContact CE-CE2 4.2Å; M173-Y188 HydrophobicContact CE-CG 3.97Å; P174-Y188 VanDerWaalsContact CD-OH 3.24Å; P174-Y188 WeakPolarHBondContact CD-OH 3.21Å; P174-Y188 VanDerWaalsContact O-CE2 3.31Å; P174-Y188 WeakPolarHBondContact O-CE2 3.36Å; P174-Y188 PolarHBondContact O-OH 2.83Å; P177-Y188 HydrophobicContact CB-CD1 4.11Å; P177-Y188 HydrophobicContact CB-CE1 3.69Å; P177-Y188 HydrophobicContact CB-CE2 4.18Å; P177-Y188 HydrophobicContact CG-CD2 4.47Å; P177-Y188 HydrophobicContact CG-CE2 4.33Å; P177-Y188 WeakPolarHBondContact CG-O 3.43Å; F183-Y188 HydrophobicContact CB-CE1 3.99Å; F183-Y188 AromaticContact CD1-CE1 3.84Å; F183-Y188 HydrophobicContact CD1-CE1 3.84Å; F183-Y188 HydrophobicContact CG-CE1 4.13Å; S186-Y188 WeakPolarHBondContact OG-CD1 3.45Å; Y188-L190 HydrophobicContact CD2-CD2 4.35Å; Y188-L190 HydrophobicContact CE2-CD2 3.76Å; Y188-L190 HydrophobicContact CE2-CG 4.3Å; Y188-L197 HydrophobicContact CD2-CD1 3.78Å; Y188-L197 HydrophobicContact CG-CD1 3.81Å; Y188-V198 CarbonylContact C-O 3.54Å; Y188-V198 WeakPolarHBondContact CA-O 3.32Å; Y188-F199 HydrophobicContact CD1-CE1 4.17Å; Y188-F199 HydrophobicContact CG-CE1 4.44Å |
| 189 | V | 96.6 | Very high | 93.7 | Very high | 104 Ų | 104 | 56.7 Ų | 56.7 | 63% | 0.63 | 32% | 0.32 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 133.8 | 161.3 | -179.9 | 0 | 0 | 0 | 0 | 107.3 | V198 | V189-V198 PolarHBondContact N-O 2.76Å; V189-V198 PolarHBondContact O-N 2.81Å |
| 190 | L | 95.8 | Very high | 94.1 | Very high | 14 Ų | 14 | 57.8 Ų | 57.8 | 7% | 0.073 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 145.8 | 173.1 | 70.6 | 83.3 | 0 | 0 | 0 | 111.2 | M173 T175 Y188 P192 E196 L197 | M173-L190 HydrophobicContact CB-CD2 4.04Å; T175-L190 HydrophobicContact CG2-CD1 3.96Å; Y188-L190 HydrophobicContact CD2-CD2 4.35Å; Y188-L190 HydrophobicContact CE2-CD2 3.76Å; Y188-L190 HydrophobicContact CE2-CG 4.3Å; L190-P192 HydrophobicContact CD1-CG 3.98Å; L190-E196 WeakPolarHBondContact CA-O 3.38Å; L190-L197 HydrophobicContact CB-CD1 4.01Å |
| 191 | N | 96.3 | Very high | 94.5 | Very high | 60 Ų | 60 | 58.2 Ų | 58.2 | 32% | 0.321 | 32% | 0.324 | S | S | . | . | trans | -117.1 | 108.2 | 178.3 | -178.3 | -26.3 | 0 | 0 | 0 | 109.5 | T193 T194 G195 E196 | N191-T193 PolarHBondContact O-N 2.94Å; N191-T193 VanDerWaalsContact O-N 3.11Å; N191-T193 PolarHBondContact OD1-N 3.12Å; N191-T194 VanDerWaalsContact CB-OG1 3.3Å; N191-T194 WeakPolarHBondContact CB-OG1 3.33Å; N191-T194 PolarHBondContact ND2-OG1 3.23Å; N191-T194 PolarHBondContact OD1-N 2.93Å; N191-T194 VanDerWaalsContact OD1-N 3.12Å; N191-G195 WeakPolarHBondContact O-CA 3.47Å; N191-G195 PolarHBondContact O-N 3.16Å; N191-E196 PolarHBondContact N-O 2.84Å | ||
| 192 | P | 95.6 | Very high | 95 | Very high | 40 Ų | 40 | 47 Ų | 47 | 26% | 0.26 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -15.6 | -178.3 | -23.9 | 35.1 | 0 | 0 | 0 | 114.8 | E163 Y164 T175 L190 | E163-P192 CarbonylContact C-O 3.59Å; E163-P192 VanDerWaalsContact CA-O 3.25Å; E163-P192 WeakPolarHBondContact CA-O 3.47Å; Y164-P192 WeakPolarHBondContact CD2-O 3.41Å; Y164-P192 PolarHBondContact N-O 3.49Å; T175-P192 HydrophobicContact CG2-CG 4.41Å; L190-P192 HydrophobicContact CD1-CG 3.98Å |
| 193 | T | 94.5 | Very high | 95.5 | Very high | 105 Ų | 105 | 45.3 Ų | 45.3 | 64% | 0.644 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.4 | -30.3 | -176.3 | -43.3 | 0 | 0 | 0 | 0 | 112.9 | N191 | N191-T193 PolarHBondContact O-N 2.94Å; N191-T193 VanDerWaalsContact O-N 3.11Å; N191-T193 PolarHBondContact OD1-N 3.12Å |
| 194 | T | 95.5 | Very high | 95.6 | Very high | 69 Ų | 69 | 47.5 Ų | 47.5 | 42% | 0.423 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | -14.3 | 173.2 | 66.1 | 0 | 0 | 0 | 0 | 113.6 | N191 E196 | N191-T194 VanDerWaalsContact CB-OG1 3.3Å; N191-T194 WeakPolarHBondContact CB-OG1 3.33Å; N191-T194 PolarHBondContact ND2-OG1 3.23Å; N191-T194 PolarHBondContact OD1-N 2.93Å; N191-T194 VanDerWaalsContact OD1-N 3.12Å; T194-E196 PolarHBondContact O-N 3.11Å; T194-E196 PolarHBondContact OG1-N 3.45Å |
| 195 | G | 96.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 29% | 0.288 | C | S | . | . | trans | 71.6 | 7.5 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114 | C153 Y164 W166 N191 | C153-G195 PolarHBondContact N-O 2.85Å; C153-G195 WeakPolarHBondContact O-CA 3.42Å; Y164-G195 VanDerWaalsContact CD2-CA 3.45Å; W166-G195 WeakPolarHBondContact CZ2-O 3.32Å; W166-G195 PolarHBondContact NE1-O 2.97Å; N191-G195 WeakPolarHBondContact O-CA 3.47Å; N191-G195 PolarHBondContact O-N 3.16Å | ||
| 196 | E | 97.8 | Very high | 96.1 | Very high | 82 Ų | 82 | 41.6 Ų | 41.6 | 38% | 0.383 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 137.8 | 174.6 | -66 | -174.5 | 127.2 | 0 | 0 | 111.7 | T152 L190 N191 T194 | T152-E196 HydrophobicContact CG2-CG 4.34Å; L190-E196 WeakPolarHBondContact CA-O 3.38Å; N191-E196 PolarHBondContact N-O 2.84Å; T194-E196 PolarHBondContact O-N 3.11Å; T194-E196 PolarHBondContact OG1-N 3.45Å |
| 197 | L | 98.2 | Very high | 96.3 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 112.2 | 169.6 | 167.9 | 63.7 | 0 | 0 | 0 | 107.8 | L151 W166 M173 Y188 L190 F199 Y210 | L151-L197 HydrophobicContact CB-CB 4.21Å; L151-L197 HydrophobicContact CD2-CD2 4.04Å; L151-L197 PolarHBondContact N-O 2.89Å; L151-L197 PolarHBondContact O-N 3.35Å; W166-L197 HydrophobicContact CB-CD2 4.4Å; W166-L197 HydrophobicContact CD2-CB 4.03Å; W166-L197 HydrophobicContact CD2-CD2 3.72Å; W166-L197 HydrophobicContact CE3-CD2 3.84Å; W166-L197 HydrophobicContact CG-CB 4.2Å; W166-L197 HydrophobicContact CG-CD2 3.99Å; W166-L197 HydrophobicContact CZ2-CB 4.06Å; W166-L197 HydrophobicContact CZ3-CD2 4.39Å; M173-L197 HydrophobicContact CE-CD1 3.82Å; M173-L197 HydrophobicContact CE-CD2 3.93Å; M173-L197 HydrophobicContact SD-CD2 3.76Å; Y188-L197 HydrophobicContact CD2-CD1 3.78Å; Y188-L197 HydrophobicContact CG-CD1 3.81Å; L190-L197 HydrophobicContact CB-CD1 4.01Å; L197-F199 HydrophobicContact CD1-CE2 4.28Å; L197-F199 HydrophobicContact CD1-CZ 4.26Å; L197-F199 HydrophobicContact CD2-CE2 3.95Å; L197-F199 HydrophobicContact CD2-CZ 4.05Å; L197-F199 HydrophobicContact CG-CE2 3.79Å; L197-F199 HydrophobicContact CG-CZ 4.14Å; L197-Y210 HydrophobicContact CD2-CD1 4.06Å; L197-Y210 HydrophobicContact CD2-CE1 4.06Å |
| 198 | V | 98.1 | Very high | 96.4 | Very high | 22 Ų | 22 | 41 Ų | 41 | 13% | 0.133 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 120 | -171.8 | 180 | 0 | 0 | 0 | 0 | 109.4 | R148 A149 V150 Y188 V189 | R148-V198 HydrophobicContact CG-CG1 4.12Å; A149-V198 CarbonylContact O-C 3.58Å; A149-V198 WeakPolarHBondContact O-CA 3.49Å; V150-V198 HydrophobicContact CG1-CG2 4.29Å; V150-V198 HydrophobicContact CG2-CG1 4.4Å; V150-V198 HydrophobicContact CG2-CG2 4.26Å; Y188-V198 CarbonylContact C-O 3.54Å; Y188-V198 WeakPolarHBondContact CA-O 3.32Å; V189-V198 PolarHBondContact N-O 2.76Å; V189-V198 PolarHBondContact O-N 2.81Å |
| 199 | F | 98 | Very high | 96.5 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 126.5 | 170.3 | -59.9 | -96.5 | 0 | 0 | 0 | 109.1 | R148 A149 L151 M173 Y188 L197 L202 D206 Y210 M229 | R148-F199 CarbonylContact C-O 3.54Å; R148-F199 VanDerWaalsContact CA-O 3.27Å; R148-F199 WeakPolarHBondContact CA-O 3.44Å; A149-F199 HydrophobicContact CB-CB 4.37Å; A149-F199 PolarHBondContact N-O 2.96Å; A149-F199 PolarHBondContact O-N 2.82Å; L151-F199 HydrophobicContact CD1-CD2 4.04Å; L151-F199 HydrophobicContact CD1-CE2 3.85Å; L151-F199 HydrophobicContact CD2-CE2 4.17Å; M173-F199 HydrophobicContact CE-CZ 4.34Å; Y188-F199 HydrophobicContact CD1-CE1 4.17Å; Y188-F199 HydrophobicContact CG-CE1 4.44Å; L197-F199 HydrophobicContact CD1-CE2 4.28Å; L197-F199 HydrophobicContact CD1-CZ 4.26Å; L197-F199 HydrophobicContact CD2-CE2 3.95Å; L197-F199 HydrophobicContact CD2-CZ 4.05Å; L197-F199 HydrophobicContact CG-CE2 3.79Å; L197-F199 HydrophobicContact CG-CZ 4.14Å; F199-L202 HydrophobicContact CB-CB 4.28Å; F199-L202 HydrophobicContact CB-CD1 3.81Å; F199-L202 HydrophobicContact CD1-CD1 4.08Å; F199-L202 HydrophobicContact CD2-CD1 4.15Å; F199-L202 HydrophobicContact CG-CD1 3.75Å; F199-D206 HydrophobicContact CD1-CB 3.91Å; F199-D206 WeakPolarHBondContact CD1-OD2 3.4Å; F199-D206 HydrophobicContact CE1-CB 3.74Å; F199-D206 HydrophobicContact CZ-CB 4.45Å; F199-Y210 HydrophobicContact CE2-CE1 4.5Å; F199-Y210 AromaticContact CZ-CE1 3.84Å; F199-Y210 HydrophobicContact CZ-CE1 3.84Å; F199-Y210 AromaticContact CZ-CZ 3.82Å; F199-Y210 WeakPolarHBondContact CZ-OH 3.39Å; F199-M229 HydrophobicContact CD2-CE 4.44Å; F199-M229 HydrophobicContact CE2-CE 4.05Å; F199-M229 HydrophobicContact CZ-CE 4.4Å |
| 200 | D | 96.4 | Very high | 96.6 | Very high | 95 Ų | 95 | 40.6 Ų | 40.6 | 51% | 0.508 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -151.6 | 99.4 | 176.2 | -152.9 | -11.2 | 0 | 0 | 0 | 111.7 | R148 S187 | R148-D200 HydrophobicContact CB-CB 4.39Å; R148-D200 VanDerWaalsContact CD-OD2 3.31Å; R148-D200 WeakPolarHBondContact CD-OD2 3.27Å; R148-D200 HydrophobicContact CG-CB 4.1Å; R148-D200 WeakPolarHBondContact CG-OD2 3.41Å; R148-D200 IonicContact NE-OD2 2.74Å; S187-D200 PolarHBondContact O-N 2.88Å |
| 201 | P | 96.3 | Very high | 96.7 | Very high | 64 Ų | 64 | 40.8 Ų | 40.8 | 42% | 0.416 | 24% | 0.244 | S | C | . | . | S | Bend | cis | -74.3 | 164.1 | -5.7 | 32.5 | -36.7 | 0 | 0 | 0 | 113.1 | S187 | S187-P201 PolarHBondContact OG-O 2.77Š|
| 202 | L | 96.6 | Very high | 96.8 | Very high | 3 Ų | 3 | 38 Ų | 38 | 2% | 0.016 | 23% | 0.229 | C | C | . | . | trans | -76.8 | 134.7 | 163.1 | -173.8 | 74.8 | 0 | 0 | 0 | 111.6 | A143 G146 N147 A149 F199 D206 M229 A231 | A143-L202 HydrophobicContact CB-CD2 3.49Å; A143-L202 VanDerWaalsContact CB-CD2 3.49Å; G146-L202 PolarHBondContact N-O 3.35Å; N147-L202 WeakPolarHBondContact O-CB 3.46Å; N147-L202 PolarHBondContact O-N 2.87Å; A149-L202 HydrophobicContact CB-CD1 4.28Å; A149-L202 HydrophobicContact CB-CD2 4.42Å; F199-L202 HydrophobicContact CB-CB 4.28Å; F199-L202 HydrophobicContact CB-CD1 3.81Å; F199-L202 HydrophobicContact CD1-CD1 4.08Å; F199-L202 HydrophobicContact CD2-CD1 4.15Å; F199-L202 HydrophobicContact CG-CD1 3.75Å; L202-D206 HydrophobicContact CD1-CB 3.6Å; L202-D206 HydrophobicContact CG-CB 4.48Å; L202-M229 HydrophobicContact CD1-CE 3.86Å; L202-A231 HydrophobicContact CD2-CB 3.93Å; L202-A231 HydrophobicContact CG-CB 4.19Å | ||
| 203 | S | 95.8 | Very high | 96.9 | Very high | 39 Ų | 39 | 38.2 Ų | 38.2 | 27% | 0.273 | 23% | 0.227 | S | C | . | . | trans | -108.5 | 157.8 | 176.9 | 175.8 | 0 | 0 | 0 | 0 | 112.1 | S205 D206 A231 | S203-S205 VanDerWaalsContact CB-OG 3.31Å; S203-S205 WeakPolarHBondContact CB-OG 3.46Å; S203-S205 PolarHBondContact O-N 2.96Å; S203-S205 PolarHBondContact OG-N 3.05Å; S203-S205 PolarHBondContact OG-OG 2.94Å; S203-D206 WeakPolarHBondContact CB-OD2 3.36Å; S203-D206 PolarHBondContact N-OD2 2.94Å; S203-D206 WeakPolarHBondContact O-CB 3.41Å; S203-D206 PolarHBondContact O-N 2.97Å; S203-A231 VanDerWaalsContact O-CB 3.26Å; S203-A231 WeakPolarHBondContact O-CB 3.45Å | ||
| 204 | A | 94.7 | Very high | 97.1 | Very high | 61 Ų | 61 | 33.2 Ų | 33.2 | 50% | 0.504 | 20% | 0.196 | S | C | . | . | G | 310 helix | trans | -55.5 | -32.3 | 169.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | I145 D206 T207 | I145-A204 HydrophobicContact CD1-CB 3.86Å; A204-D206 PolarHBondContact O-N 2.84Å; A204-T207 WeakPolarHBondContact O-CB 3.2Å; A204-T207 PolarHBondContact O-N 2.88Å; A204-T207 PolarHBondContact O-OG1 2.85Å; A204-T207 VanDerWaalsContact O-OG1 3.14Å |
| 205 | S | 94.3 | Very high | 97.2 | Very high | 52 Ų | 52 | 34.5 Ų | 34.5 | 36% | 0.364 | 19% | 0.193 | S | C | . | . | G | 310 helix | trans | -64.4 | -14.7 | 175.9 | 56.3 | 0 | 0 | 0 | 0 | 114.5 | K168 S203 T207 | K168-S205 PolarHBondContact NZ-O 2.8Å; S203-S205 VanDerWaalsContact CB-OG 3.31Å; S203-S205 WeakPolarHBondContact CB-OG 3.46Å; S203-S205 PolarHBondContact O-N 2.96Å; S203-S205 PolarHBondContact OG-N 3.05Å; S203-S205 PolarHBondContact OG-OG 2.94Å; S205-T207 VanDerWaalsContact C-N 3.3Å |
| 206 | D | 96.6 | Very high | 97.2 | Very high | 4 Ų | 4 | 35.5 Ų | 35.5 | 2% | 0.021 | 20% | 0.198 | C | C | . | . | G | 310 helix | trans | -90.9 | 4.3 | -179.1 | -51.3 | -31.2 | 0 | 0 | 0 | 111.8 | S186 F199 L202 S203 A204 Y210 M229 | S186-D206 VanDerWaalsContact CB-OD1 3.25Å; S186-D206 WeakPolarHBondContact CB-OD1 3.47Å; S186-D206 VanDerWaalsContact OG-CG 3.31Å; S186-D206 PolarHBondContact OG-OD1 2.85Å; F199-D206 HydrophobicContact CD1-CB 3.91Å; F199-D206 WeakPolarHBondContact CD1-OD2 3.4Å; F199-D206 HydrophobicContact CE1-CB 3.74Å; F199-D206 HydrophobicContact CZ-CB 4.45Å; L202-D206 HydrophobicContact CD1-CB 3.6Å; L202-D206 HydrophobicContact CG-CB 4.48Å; S203-D206 WeakPolarHBondContact CB-OD2 3.36Å; S203-D206 PolarHBondContact N-OD2 2.94Å; S203-D206 WeakPolarHBondContact O-CB 3.41Å; S203-D206 PolarHBondContact O-N 2.97Å; A204-D206 PolarHBondContact O-N 2.84Å; D206-Y210 WeakPolarHBondContact O-CE2 3.24Å; D206-Y210 PolarHBondContact O-OH 2.59Å; D206-M229 WeakPolarHBondContact O-CE 3.42Å |
| 207 | T | 97.3 | Very high | 97.1 | Very high | 41 Ų | 41 | 35.4 Ų | 35.4 | 25% | 0.252 | 22% | 0.22 | S | C | . | . | trans | -64.9 | 130.6 | 163.4 | -61.2 | 0 | 0 | 0 | 0 | 110.1 | K168 A204 S205 M229 E230 A231 | K168-T207 WeakPolarHBondContact CE-O 3.34Å; K168-T207 PolarHBondContact NZ-O 2.76Å; A204-T207 WeakPolarHBondContact O-CB 3.2Å; A204-T207 PolarHBondContact O-N 2.88Å; A204-T207 PolarHBondContact O-OG1 2.85Å; A204-T207 VanDerWaalsContact O-OG1 3.14Å; S205-T207 VanDerWaalsContact C-N 3.3Å; T207-M229 WeakPolarHBondContact CA-O 3.48Å; T207-E230 HydrophobicContact CG2-CB 4.4Å; T207-E230 HydrophobicContact CG2-CG 4.28Å; T207-A231 WeakPolarHBondContact OG1-CB 3.3Å; T207-A231 PolarHBondContact OG1-N 3.14Å | ||
| 208 | G | 97.3 | Very high | 97 | Very high | 1 Ų | 1 | 39.3 Ų | 39.3 | 1% | 0.01 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 169.7 | -177.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | D169 Y210 R228 M229 | D169-G208 WeakPolarHBondContact OD1-CA 3.39Å; G208-Y210 WeakPolarHBondContact O-CD2 3.12Å; G208-R228 WeakPolarHBondContact O-CA 3.39Å; G208-M229 PolarHBondContact N-O 3.35Å; G208-M229 PolarHBondContact O-N 2.99Å |
| 209 | E | 98.4 | Very high | 96.9 | Very high | 99 Ų | 99 | 41 Ų | 41 | 46% | 0.463 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 119.6 | 175.3 | -178.6 | 166.7 | -90.6 | 0 | 0 | 111 | K168 D169 A226 | K168-E209 CarbonylContact C-O 3.51Å; K168-E209 WeakPolarHBondContact CA-O 3.37Å; D169-E209 PolarHBondContact N-O 3.23Å; D169-E209 PolarHBondContact OD1-N 3Å; E209-A226 HydrophobicContact CG-CB 3.7Å |
| 210 | Y | 98.6 | Very high | 96.8 | Very high | 1 Ų | 1 | 46 Ų | 46 | 0% | 0.004 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 138.2 | -173.5 | -73.7 | -90.5 | 0 | 0 | 0 | 112 | L151 F167 K168 M173 L197 F199 D206 G208 A226 V227 M229 | L151-Y210 HydrophobicContact CD2-CD1 3.99Å; L151-Y210 HydrophobicContact CD2-CD2 4.29Å; L151-Y210 HydrophobicContact CD2-CE1 4.44Å; L151-Y210 HydrophobicContact CD2-CG 3.9Å; F167-Y210 WeakPolarHBondContact O-CA 3.41Å; K168-Y210 HydrophobicContact CB-CD1 4.17Å; K168-Y210 HydrophobicContact CB-CE1 3.83Å; K168-Y210 HydrophobicContact CD-CE1 4.2Å; K168-Y210 HydrophobicContact CD-CE2 4.46Å; K168-Y210 WeakPolarHBondContact CD-OH 3.34Å; K168-Y210 WeakPolarHBondContact CE-OH 3.02Å; K168-Y210 HydrophobicContact CG-CD1 4.19Å; K168-Y210 HydrophobicContact CG-CE1 3.66Å; K168-Y210 HydrophobicContact CG-CE2 4.04Å; M173-Y210 HydrophobicContact CE-CE1 4.16Å; M173-Y210 HydrophobicContact SD-CD1 4.06Å; M173-Y210 HydrophobicContact SD-CE1 3.72Å; L197-Y210 HydrophobicContact CD2-CD1 4.06Å; L197-Y210 HydrophobicContact CD2-CE1 4.06Å; F199-Y210 HydrophobicContact CE2-CE1 4.5Å; F199-Y210 AromaticContact CZ-CE1 3.84Å; F199-Y210 HydrophobicContact CZ-CE1 3.84Å; F199-Y210 AromaticContact CZ-CZ 3.82Å; F199-Y210 WeakPolarHBondContact CZ-OH 3.39Å; D206-Y210 WeakPolarHBondContact O-CE2 3.24Å; D206-Y210 PolarHBondContact O-OH 2.59Å; G208-Y210 WeakPolarHBondContact O-CD2 3.12Å; Y210-A226 CarbonylContact O-C 3.58Å; Y210-A226 WeakPolarHBondContact O-CA 3.47Å; Y210-V227 PolarHBondContact N-O 3.2Å; Y210-V227 PolarHBondContact O-N 3.46Å; Y210-M229 HydrophobicContact CD2-CB 4.17Å; Y210-M229 HydrophobicContact CD2-CE 4.48Å; Y210-M229 HydrophobicContact CE2-CB 4.32Å; Y210-M229 HydrophobicContact CE2-CE 3.8Å |
| 211 | S | 98.4 | Very high | 96.8 | Very high | 19 Ų | 19 | 44 Ų | 44 | 13% | 0.133 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 168.4 | 171 | 64.8 | 0 | 0 | 0 | 0 | 110.5 | W166 F167 S224 | W166-S211 VanDerWaalsContact CE3-O 3.25Å; F167-S211 PolarHBondContact N-O 2.65Å; F167-S211 PolarHBondContact O-N 3Å; F167-S211 VanDerWaalsContact O-N 3.16Å; S211-S224 WeakPolarHBondContact CA-OG 3.27Å; S211-S224 WeakPolarHBondContact CB-OG 3.46Å |
| 212 | C | 98.2 | Very high | 96.9 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 152.8 | 173.4 | 64.8 | 0 | 0 | 0 | 0 | 111.9 | V137 C153 T165 W166 T223 S224 | V137-C212 WeakPolarHBondContact CG1-SG 3.25Å; C153-C212 HydrophobicContact CB-CB 3.65Å; C153-C212 WeakPolarHBondContact CB-SG 3.38Å; C153-C212 WeakPolarHBondContact SG-CB 3.48Å; C153-C212 CovalentContact SG-SG 2.02Å; C153-C212 PolarHBondContact SG-SG 2.99Å; T165-C212 CarbonylContact O-C 3.59Å; T165-C212 WeakPolarHBondContact O-CA 3.47Å; W166-C212 HydrophobicContact CD2-CB 4.17Å; W166-C212 HydrophobicContact CE3-CB 4.21Å; W166-C212 HydrophobicContact CZ3-CB 4.5Å; C212-T223 CarbonylContact O-C 3.54Å; C212-T223 WeakPolarHBondContact O-CA 3.34Å; C212-T223 WeakPolarHBondContact O-CG2 3.46Å; C212-S224 PolarHBondContact N-OG 2.95Å; C212-S224 PolarHBondContact O-N 3.49Å; C212-S224 PolarHBondContact O-OG 3.5Å |
| 213 | E | 98.3 | Very high | 97 | Very high | 46 Ų | 46 | 47.3 Ų | 47.3 | 22% | 0.215 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 133.3 | 168.1 | -177.7 | -175.5 | 93 | 0 | 0 | 109.6 | Y164 T165 F167 P221 M222 | Y164-E213 CarbonylContact C-O 3.6Å; Y164-E213 WeakPolarHBondContact CA-O 3.35Å; T165-E213 PolarHBondContact N-O 2.81Å; T165-E213 PolarHBondContact O-N 2.86Å; F167-E213 HydrophobicContact CE2-CB 3.69Å; F167-E213 HydrophobicContact CZ-CB 4.32Å; E213-P221 HydrophobicContact CG-CB 3.78Å; E213-M222 WeakPolarHBondContact CA-O 3.17Å |
| 214 | A | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 129.2 | 169.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | P132 P135 E155 Y164 P221 M222 | P132-A214 HydrophobicContact CB-CB 4.12Å; P132-A214 WeakPolarHBondContact CG-O 3.28Å; P135-A214 HydrophobicContact CB-CB 4.14Å; P135-A214 HydrophobicContact CG-CB 3.97Å; E155-A214 HydrophobicContact CB-CB 4.05Å; E155-A214 HydrophobicContact CG-CB 3.97Å; Y164-A214 HydrophobicContact CD1-CB 4.06Å; Y164-A214 HydrophobicContact CE1-CB 3.99Å; A214-P221 WeakPolarHBondContact O-CA 3.39Å; A214-M222 PolarHBondContact N-O 3.32Å; A214-M222 PolarHBondContact O-N 2.74Å |
| 215 | R | 97.3 | Very high | 97.2 | Very high | 96 Ų | 96 | 48 Ų | 48 | 36% | 0.362 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 127.6 | 180 | 44.8 | 167.3 | -86.5 | -74.2 | -8.5 | 111.7 | E163 P221 | E163-R215 PolarHBondContact N-O 2.83Å; E163-R215 WeakPolarHBondContact O-CG 3.46Å; E163-R215 PolarHBondContact O-N 2.91Å; E163-R215 IonicContact OE2-CZ 3.23Å; E163-R215 IonicContact OE2-NH1 2.72Å; E163-R215 PolarHBondContact OE2-NH1 2.95Å; E163-R215 IonicContact OE2-NH2 3.22Å; E163-R215 PolarHBondContact OE2-NH2 3.34Å; R215-P221 HydrophobicContact CB-CB 3.96Å |
| 216 | N | 96.5 | Very high | 97.4 | Very high | 20 Ų | 20 | 47.9 Ų | 47.9 | 11% | 0.107 | 29% | 0.29 | C | S | . | . | trans | -115.3 | 7.9 | 174.7 | 71.3 | -5.6 | 0 | 0 | 0 | 114.4 | V130 S159 P160 Y218 | V130-N216 PolarHBondContact O-ND2 2.79Å; S159-N216 PolarHBondContact N-ND2 2.89Å; S159-N216 PolarHBondContact O-ND2 3.11Å; P160-N216 HydrophobicContact CG-CB 4.34Å; P160-N216 WeakPolarHBondContact O-CB 3.31Å; P160-N216 PolarHBondContact O-ND2 3.4Å; N216-Y218 VanDerWaalsContact C-N 3.32Å; N216-Y218 PolarHBondContact OD1-N 3.47Å; N216-Y218 PolarHBondContact OD1-O 2.91Å | ||
| 217 | G | 95.2 | Very high | 97.5 | Very high | 81 Ų | 81 | 49.9 Ų | 49.9 | 84% | 0.835 | 30% | 0.302 | S | S | * | . | S | Bend | trans | 80.4 | 6.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 218 | Y | 96.1 | Very high | 97.5 | Very high | 82 Ų | 82 | 53.9 Ų | 53.9 | 32% | 0.322 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -126.3 | 140.6 | 173.4 | -174.9 | -108.7 | 0 | 0 | 0 | 112.2 | P41 L129 N216 | P41-Y218 WeakPolarHBondContact CB-OH 3.45Å; P41-Y218 HydrophobicContact CG-CE2 4.47Å; P41-Y218 VanDerWaalsContact CG-OH 3.3Å; P41-Y218 WeakPolarHBondContact CG-OH 3.26Å; L129-Y218 HydrophobicContact CB-CD1 3.66Å; L129-Y218 HydrophobicContact CB-CD2 4.04Å; L129-Y218 HydrophobicContact CB-CE1 3.79Å; L129-Y218 HydrophobicContact CB-CE2 4.19Å; L129-Y218 HydrophobicContact CB-CG 3.79Å; L129-Y218 HydrophobicContact CD1-CD2 3.83Å; L129-Y218 HydrophobicContact CD1-CE2 3.98Å; L129-Y218 HydrophobicContact CD1-CG 4.33Å; L129-Y218 HydrophobicContact CG-CD2 4.49Å; N216-Y218 VanDerWaalsContact C-N 3.32Å; N216-Y218 PolarHBondContact OD1-N 3.47Å; N216-Y218 PolarHBondContact OD1-O 2.91Å |
| 219 | G | 95.4 | Very high | 97.6 | Very high | 56 Ų | 56 | 53.8 Ų | 53.8 | 58% | 0.577 | 31% | 0.312 | S | S | * | . | S | Bend | trans | 65.2 | -137.8 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 220 | T | 96.7 | Very high | 97.5 | Very high | 105 Ų | 105 | 53.2 Ų | 53.2 | 64% | 0.644 | 31% | 0.309 | S | S | * | . | trans | -111.2 | 135 | -178.4 | -52 | 0 | 0 | 0 | 0 | 109.4 | P132 | P132-T220 WeakPolarHBondContact CG-O 3.26Š| ||
| 221 | P | 97.4 | Very high | 97.4 | Very high | 55 Ų | 55 | 53.9 Ų | 53.9 | 36% | 0.357 | 32% | 0.315 | S | S | . | . | trans | -69 | 152.9 | 175 | 33.2 | -38.3 | 0 | 0 | 0 | 111.1 | E213 A214 R215 | E213-P221 HydrophobicContact CG-CB 3.78Å; A214-P221 WeakPolarHBondContact O-CA 3.39Å; R215-P221 HydrophobicContact CB-CB 3.96Å | ||
| 222 | M | 98.1 | Very high | 97.2 | Very high | 68 Ų | 68 | 56 Ų | 56 | 34% | 0.335 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 127.6 | -172.9 | -72.4 | -64.2 | -70.6 | 0 | 0 | 112.1 | P132 S133 K134 P135 E213 A214 | P132-M222 HydrophobicContact CG-CG 4.41Å; P132-M222 VanDerWaalsContact O-CG 3.28Å; P132-M222 WeakPolarHBondContact O-CG 3.31Å; S133-M222 WeakPolarHBondContact O-CB 3.37Å; K134-M222 HydrophobicContact CB-CE 3.99Å; P135-M222 WeakPolarHBondContact CD-O 3.37Å; P135-M222 VanDerWaalsContact CG-O 3.28Å; P135-M222 WeakPolarHBondContact CG-O 3.4Å; E213-M222 WeakPolarHBondContact CA-O 3.17Å; A214-M222 PolarHBondContact N-O 3.32Å; A214-M222 PolarHBondContact O-N 2.74Å |
| 223 | T | 98.2 | Very high | 96.8 | Very high | 68 Ų | 68 | 63.1 Ų | 63.1 | 42% | 0.417 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 143 | 179.6 | -32.1 | 0 | 0 | 0 | 0 | 112.1 | K134 C212 | K134-T223 VanDerWaalsContact CE-O 3.31Å; K134-T223 WeakPolarHBondContact CE-O 3.38Å; C212-T223 CarbonylContact O-C 3.54Å; C212-T223 WeakPolarHBondContact O-CA 3.34Å; C212-T223 WeakPolarHBondContact O-CG2 3.46Å |
| 224 | S | 98.3 | Very high | 95.9 | Very high | 10 Ų | 10 | 67.9 Ų | 67.9 | 7% | 0.07 | 38% | 0.377 | C | S | . | . | trans | -67.4 | 177.9 | 175.3 | 71.7 | 0 | 0 | 0 | 0 | 112.4 | P135 S211 C212 | P135-S224 WeakPolarHBondContact O-CB 3.44Å; S211-S224 WeakPolarHBondContact CA-OG 3.27Å; S211-S224 WeakPolarHBondContact CB-OG 3.46Å; C212-S224 PolarHBondContact N-OG 2.95Å; C212-S224 PolarHBondContact O-N 3.49Å; C212-S224 PolarHBondContact O-OG 3.5Å | ||
| 225 | N | 97.1 | Very high | 94.9 | Very high | 103 Ų | 103 | 73.4 Ų | 73.4 | 55% | 0.551 | 41% | 0.406 | S | S | * | . | trans | -66.4 | 148.8 | 155.2 | -67 | -16.2 | 0 | 0 | 0 | 109.3 | K134 | K134-N225 WeakPolarHBondContact CE-OD1 3.31Å; K134-N225 PolarHBondContact NZ-OD1 3.32Å | ||
| 226 | A | 97.9 | Very high | 93.9 | Very high | 50 Ų | 50 | 72.9 Ų | 72.9 | 41% | 0.413 | 41% | 0.413 | S | S | . | . | trans | -81.9 | 140.1 | 167.8 | 0 | 0 | 0 | 0 | 0 | 110 | E209 Y210 | E209-A226 HydrophobicContact CG-CB 3.7Å; Y210-A226 CarbonylContact O-C 3.58Å; Y210-A226 WeakPolarHBondContact O-CA 3.47Å | ||
| 227 | V | 98.4 | Very high | 92.9 | Very high | 47 Ų | 47 | 74.7 Ų | 74.7 | 29% | 0.285 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 127.4 | -179.6 | -173.8 | 0 | 0 | 0 | 0 | 109.6 | V137 I139 Y210 | V137-V227 HydrophobicContact CG2-CG2 4.03Å; I139-V227 HydrophobicContact CB-CB 3.99Å; I139-V227 HydrophobicContact CB-CG1 3.95Å; I139-V227 HydrophobicContact CD1-CB 3.77Å; I139-V227 HydrophobicContact CD1-CG2 4.05Å; I139-V227 HydrophobicContact CG1-CB 4.48Å; I139-V227 HydrophobicContact CG2-CB 4.05Å; I139-V227 HydrophobicContact CG2-CG1 3.91Å; Y210-V227 PolarHBondContact N-O 3.2Å; Y210-V227 PolarHBondContact O-N 3.46Å |
| 228 | R | 98.1 | Very high | 92.2 | Very high | 124 Ų | 124 | 75.5 Ų | 75.5 | 47% | 0.468 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 128.6 | 175.9 | -173.1 | 174 | 177.7 | 77.4 | 7 | 111.4 | G208 E230 | G208-R228 WeakPolarHBondContact O-CA 3.39Å; R228-E230 HydrophobicContact CG-CG 4.29Å; R228-E230 IonicContact CZ-OE1 2.82Å; R228-E230 VanDerWaalsContact CZ-OE1 3.23Å; R228-E230 IonicContact NE-OE1 3.81Å; R228-E230 PolarHBondContact NE-OE1 3.45Å; R228-E230 IonicContact NH2-OE1 2.72Å; R228-E230 PolarHBondContact NH2-OE1 2.99Å |
| 229 | M | 97.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 76.2 Ų | 76.2 | 0% | 0 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 134.8 | 167.8 | 178.2 | 179.5 | 67.9 | 0 | 0 | 109.3 | I139 P140 A143 L151 F199 L202 D206 T207 G208 Y210 | I139-M229 HydrophobicContact CG2-CB 4.06Å; P140-M229 HydrophobicContact CG-SD 4.06Å; P140-M229 WeakPolarHBondContact O-CB 3.32Å; P140-M229 WeakPolarHBondContact O-CG 3.33Å; A143-M229 HydrophobicContact CB-SD 4.13Å; L151-M229 HydrophobicContact CD1-CE 4.29Å; L151-M229 HydrophobicContact CD1-SD 3.84Å; F199-M229 HydrophobicContact CD2-CE 4.44Å; F199-M229 HydrophobicContact CE2-CE 4.05Å; F199-M229 HydrophobicContact CZ-CE 4.4Å; L202-M229 HydrophobicContact CD1-CE 3.86Å; D206-M229 WeakPolarHBondContact O-CE 3.42Å; T207-M229 WeakPolarHBondContact CA-O 3.48Å; G208-M229 PolarHBondContact N-O 3.35Å; G208-M229 PolarHBondContact O-N 2.99Å; Y210-M229 HydrophobicContact CD2-CB 4.17Å; Y210-M229 HydrophobicContact CD2-CE 4.48Å; Y210-M229 HydrophobicContact CE2-CB 4.32Å; Y210-M229 HydrophobicContact CE2-CE 3.8Å |
| 230 | E | 97.3 | Very high | 91 | Very high | 86 Ų | 86 | 77.1 Ų | 77.1 | 40% | 0.402 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 129.1 | 174.3 | -53.5 | -155 | 136 | 0 | 0 | 111.8 | S141 S142 A143 T207 R228 | S141-E230 PolarHBondContact O-N 2.92Å; S142-E230 CarbonylContact C-O 3.4Å; S142-E230 WeakPolarHBondContact CA-O 3.35Å; A143-E230 PolarHBondContact N-O 3.03Å; T207-E230 HydrophobicContact CG2-CB 4.4Å; T207-E230 HydrophobicContact CG2-CG 4.28Å; R228-E230 HydrophobicContact CG-CG 4.29Å; R228-E230 IonicContact CZ-OE1 2.82Å; R228-E230 VanDerWaalsContact CZ-OE1 3.23Å; R228-E230 IonicContact NE-OE1 3.81Å; R228-E230 PolarHBondContact NE-OE1 3.45Å; R228-E230 IonicContact NH2-OE1 2.72Å; R228-E230 PolarHBondContact NH2-OE1 2.99Å |
| 231 | A | 96.1 | Very high | 90.7 | Very high | 15 Ų | 15 | 74.5 Ų | 74.5 | 12% | 0.124 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 111.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | A143 I145 L202 S203 T207 | A143-A231 CarbonylContact O-C 3.59Å; A143-A231 WeakPolarHBondContact O-CA 3.43Å; I145-A231 HydrophobicContact CD1-CB 4.28Å; I145-A231 WeakPolarHBondContact CD1-O 3.31Å; I145-A231 HydrophobicContact CG1-CB 3.8Å; L202-A231 HydrophobicContact CD2-CB 3.93Å; L202-A231 HydrophobicContact CG-CB 4.19Å; S203-A231 VanDerWaalsContact O-CB 3.26Å; S203-A231 WeakPolarHBondContact O-CB 3.45Å; T207-A231 WeakPolarHBondContact OG1-CB 3.3Å; T207-A231 PolarHBondContact OG1-N 3.14Å |
| 232 | V | 94.8 | Very high | 90.4 | Very high | 64 Ų | 64 | 74.6 Ų | 74.6 | 39% | 0.388 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 136.6 | -170.1 | -174.7 | 0 | 0 | 0 | 0 | 110.9 | A143 T144 I145 | A143-V232 PolarHBondContact O-N 3.42Å; T144-V232 CarbonylContact C-O 3.53Å; T144-V232 WeakPolarHBondContact CA-O 3.48Å; I145-V232 PolarHBondContact N-O 2.97Å |
| 233 | E | 90.1 | Very high | 90.2 | Very high | 150 Ų | 150 | 74.9 Ų | 74.9 | 70% | 0.701 | 43% | 0.427 | S | S | * | . | trans | -68.8 | 152.4 | 175.1 | -64.6 | -171.2 | 164.5 | 0 | 0 | 112.2 | I145 N235 | I145-E233 HydrophobicContact CD1-CG 3.85Å; E233-N235 PolarHBondContact O-N 3.28Å | ||
| 234 | R | 79.1 | Confident | 90.1 | Very high | 146 Ų | 146 | 76.2 Ų | 76.2 | 55% | 0.551 | 43% | 0.431 | S | S | * | . | trans | -72.3 | 119.7 | 167.8 | -68.3 | -173.2 | 180 | -128.7 | 8.7 | 109.3 | T144 N147 V236 | T144-R234 HydrophobicContact CG2-CG 3.3Å; N147-R234 PolarHBondContact ND2-NH2 3.48Å; N147-R234 PolarHBondContact OD1-NE 3.47Å; N147-R234 PolarHBondContact OD1-NH2 3.4Å; R234-V236 HydrophobicContact CB-CG2 4.01Å; R234-V236 PolarHBondContact O-N 2.97Å | ||
| 235 | N | 78 | Confident | 90.1 | Very high | 116 Ų | 116 | 79.7 Ų | 79.7 | 62% | 0.62 | 45% | 0.452 | S | S | * | . | trans | -69.7 | 66.7 | 168.1 | -62.4 | 86.7 | 0 | 0 | 0 | 111.7 | E233 G237 V238 I239 | E233-N235 PolarHBondContact O-N 3.28Å; N235-G237 PolarHBondContact O-N 3.4Å; N235-G237 VanDerWaalsContact O-N 3.15Å; N235-V238 HydrophobicContact CB-CB 4.23Å; N235-V238 HydrophobicContact CB-CG2 3.91Å; N235-V238 WeakPolarHBondContact O-CB 3.34Å; N235-V238 PolarHBondContact O-N 3.49Å; N235-I239 PolarHBondContact O-N 2.95Å | ||
| 236 | V | 75.7 | Confident | 90 | Very high | 85 Ų | 85 | 78.5 Ų | 78.5 | 52% | 0.515 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -55 | -35.3 | -178.9 | 179.2 | 0 | 0 | 0 | 0 | 111.3 | R234 V238 I239 V240 | R234-V236 HydrophobicContact CB-CG2 4.01Å; R234-V236 PolarHBondContact O-N 2.97Å; V236-V238 VanDerWaalsContact C-N 3.29Å; V236-V238 PolarHBondContact O-N 3.03Å; V236-I239 PolarHBondContact O-N 3.41Å; V236-I239 VanDerWaalsContact O-N 3.15Å; V236-V240 HydrophobicContact CG1-CG2 4Å; V236-V240 WeakPolarHBondContact O-CG2 3.43Å; V236-V240 PolarHBondContact O-N 2.99Å |
| 237 | G | 75.4 | Confident | 90 | Very high | 57 Ų | 57 | 81 Ų | 81 | 59% | 0.588 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -58.3 | -34.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | N235 A241 | N235-G237 PolarHBondContact O-N 3.4Å; N235-G237 VanDerWaalsContact O-N 3.15Å; G237-A241 WeakPolarHBondContact O-CB 3.34Å; G237-A241 PolarHBondContact O-N 3.26Å |
| 238 | V | 79.8 | Confident | 90 | Very high | 99 Ų | 99 | 83.8 Ų | 83.8 | 60% | 0.6 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -71.7 | -40.7 | 175.9 | 177.3 | 0 | 0 | 0 | 0 | 110.6 | N235 V236 A241 A242 | N235-V238 HydrophobicContact CB-CB 4.23Å; N235-V238 HydrophobicContact CB-CG2 3.91Å; N235-V238 WeakPolarHBondContact O-CB 3.34Å; N235-V238 PolarHBondContact O-N 3.49Å; V236-V238 VanDerWaalsContact C-N 3.29Å; V236-V238 PolarHBondContact O-N 3.03Å; V238-A241 PolarHBondContact O-N 3.47Å; V238-A242 WeakPolarHBondContact O-CB 3.41Å; V238-A242 PolarHBondContact O-N 3.31Å |
| 239 | I | 81.4 | Confident | 89.9 | Confident | 96 Ų | 96 | 82.9 Ų | 82.9 | 49% | 0.492 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -63.8 | -48 | 176.5 | -56.8 | 174.8 | 0 | 0 | 0 | 110 | N235 V236 A242 V243 | N235-I239 PolarHBondContact O-N 2.95Å; V236-I239 PolarHBondContact O-N 3.41Å; V236-I239 VanDerWaalsContact O-N 3.15Å; I239-A242 PolarHBondContact O-N 3.33Å; I239-V243 WeakPolarHBondContact O-CG2 3.34Å; I239-V243 PolarHBondContact O-N 3.44Å |
| 240 | V | 85.4 | Confident | 89.9 | Confident | 76 Ų | 76 | 87.3 Ų | 87.3 | 46% | 0.461 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.1 | -43 | 177.9 | 172.1 | 0 | 0 | 0 | 0 | 111.1 | V236 A242 V243 L244 | V236-V240 HydrophobicContact CG1-CG2 4Å; V236-V240 WeakPolarHBondContact O-CG2 3.43Å; V236-V240 PolarHBondContact O-N 2.99Å; V240-A242 PolarHBondContact O-N 3.32Å; V240-V243 PolarHBondContact O-N 3.36Å; V240-L244 HydrophobicContact CG1-CD1 3.87Å; V240-L244 HydrophobicContact CG1-CG 4.32Å; V240-L244 WeakPolarHBondContact O-CB 3.31Å; V240-L244 VanDerWaalsContact O-CG 3.29Å; V240-L244 WeakPolarHBondContact O-CG 3.47Å; V240-L244 PolarHBondContact O-N 3.43Å |
| 241 | A | 89.3 | Confident | 89.9 | Confident | 50 Ų | 50 | 85.1 Ų | 85.1 | 41% | 0.413 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.1 | -44.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | G237 V238 V243 L244 V245 | G237-A241 WeakPolarHBondContact O-CB 3.34Å; G237-A241 PolarHBondContact O-N 3.26Å; V238-A241 PolarHBondContact O-N 3.47Å; A241-V243 PolarHBondContact O-N 2.87Å; A241-L244 PolarHBondContact O-N 3.33Å; A241-V245 WeakPolarHBondContact O-CB 3.42Å; A241-V245 VanDerWaalsContact O-CG2 3.31Å; A241-V245 WeakPolarHBondContact O-CG2 3.31Å; A241-V245 PolarHBondContact O-N 2.96Å |
| 242 | A | 91.8 | Very high | 90 | Very high | 56 Ų | 56 | 89.7 Ų | 89.7 | 46% | 0.463 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.8 | -40.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | V238 I239 V240 T246 | V238-A242 WeakPolarHBondContact O-CB 3.41Å; V238-A242 PolarHBondContact O-N 3.31Å; I239-A242 PolarHBondContact O-N 3.33Å; V240-A242 PolarHBondContact O-N 3.32Å; A242-T246 WeakPolarHBondContact O-CG2 3.44Å; A242-T246 PolarHBondContact O-N 3.2Å; A242-T246 PolarHBondContact O-OG1 2.93Å |
| 243 | V | 94.9 | Very high | 90.1 | Very high | 75 Ų | 75 | 91.6 Ų | 91.6 | 46% | 0.455 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -66.4 | -42.6 | 175.2 | 171 | 0 | 0 | 0 | 0 | 111.3 | I239 V240 A241 T246 L247 | I239-V243 WeakPolarHBondContact O-CG2 3.34Å; I239-V243 PolarHBondContact O-N 3.44Å; V240-V243 PolarHBondContact O-N 3.36Å; A241-V243 PolarHBondContact O-N 2.87Å; V243-T246 WeakPolarHBondContact CA-OG1 3.34Å; V243-T246 PolarHBondContact O-N 3.3Å; V243-T246 PolarHBondContact O-OG1 3.03Å; V243-L247 HydrophobicContact CG1-CD1 3.9Å; V243-L247 HydrophobicContact CG1-CG 4.45Å; V243-L247 WeakPolarHBondContact O-CB 3.45Å; V243-L247 VanDerWaalsContact O-CG 3.26Å; V243-L247 WeakPolarHBondContact O-CG 3.49Å; V243-L247 PolarHBondContact O-N 3.48Å |
| 244 | L | 96.2 | Very high | 90.4 | Very high | 95 Ų | 95 | 90 Ų | 90 | 50% | 0.497 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.4 | -44.3 | 175.8 | -72.1 | 171 | 0 | 0 | 0 | 111.9 | V240 A241 L247 I248 | V240-L244 HydrophobicContact CG1-CD1 3.87Å; V240-L244 HydrophobicContact CG1-CG 4.32Å; V240-L244 WeakPolarHBondContact O-CB 3.31Å; V240-L244 VanDerWaalsContact O-CG 3.29Å; V240-L244 WeakPolarHBondContact O-CG 3.47Å; V240-L244 PolarHBondContact O-N 3.43Å; A241-L244 PolarHBondContact O-N 3.33Å; L244-L247 PolarHBondContact O-N 3.46Å; L244-I248 WeakPolarHBondContact O-CB 3.21Å; L244-I248 WeakPolarHBondContact O-CD1 3.23Å; L244-I248 VanDerWaalsContact O-CG1 3.23Å; L244-I248 WeakPolarHBondContact O-CG1 3.44Å; L244-I248 PolarHBondContact O-N 3.15Å |
| 245 | V | 97.1 | Very high | 91.2 | Very high | 84 Ų | 84 | 88.8 Ų | 88.8 | 51% | 0.509 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.5 | -44.5 | 177.4 | 168.8 | 0 | 0 | 0 | 0 | 111.5 | A241 I248 L249 | A241-V245 WeakPolarHBondContact O-CB 3.42Å; A241-V245 VanDerWaalsContact O-CG2 3.31Å; A241-V245 WeakPolarHBondContact O-CG2 3.31Å; A241-V245 PolarHBondContact O-N 2.96Å; V245-I248 PolarHBondContact O-N 3.12Å; V245-L249 HydrophobicContact CG1-CD1 3.96Å; V245-L249 HydrophobicContact CG1-CG 4.49Å; V245-L249 WeakPolarHBondContact O-CG 3.38Å; V245-L249 PolarHBondContact O-N 2.63Å |
| 246 | T | 96.3 | Very high | 92 | Very high | 77 Ų | 77 | 85 Ų | 85 | 47% | 0.472 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66.4 | -39.5 | 178.1 | 48.9 | 0 | 0 | 0 | 0 | 112.4 | A242 V243 L249 L250 | A242-T246 WeakPolarHBondContact O-CG2 3.44Å; A242-T246 PolarHBondContact O-N 3.2Å; A242-T246 PolarHBondContact O-OG1 2.93Å; V243-T246 WeakPolarHBondContact CA-OG1 3.34Å; V243-T246 PolarHBondContact O-N 3.3Å; V243-T246 PolarHBondContact O-OG1 3.03Å; T246-L249 PolarHBondContact O-N 2.82Å; T246-L250 WeakPolarHBondContact O-CB 3.47Å; T246-L250 VanDerWaalsContact O-CG 3.31Å; T246-L250 WeakPolarHBondContact O-CG 3.29Å; T246-L250 PolarHBondContact O-N 3.31Å |
| 247 | L | 97.2 | Very high | 92.8 | Very high | 104 Ų | 104 | 86.1 Ų | 86.1 | 55% | 0.545 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.7 | -40.1 | 173.6 | -71.5 | 171.5 | 0 | 0 | 0 | 112.7 | V243 L244 L250 G251 | V243-L247 HydrophobicContact CG1-CD1 3.9Å; V243-L247 HydrophobicContact CG1-CG 4.45Å; V243-L247 WeakPolarHBondContact O-CB 3.45Å; V243-L247 VanDerWaalsContact O-CG 3.26Å; V243-L247 WeakPolarHBondContact O-CG 3.49Å; V243-L247 PolarHBondContact O-N 3.48Å; L244-L247 PolarHBondContact O-N 3.46Å; L247-L250 PolarHBondContact O-N 2.93Å; L247-G251 PolarHBondContact O-N 3.21Å |
| 248 | I | 97.6 | Very high | 93.7 | Very high | 104 Ų | 104 | 90.8 Ų | 90.8 | 53% | 0.533 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.7 | -45.8 | 175.6 | -71 | 163.9 | 0 | 0 | 0 | 110.8 | L244 V245 L250 G251 I252 | L244-I248 WeakPolarHBondContact O-CB 3.21Å; L244-I248 WeakPolarHBondContact O-CD1 3.23Å; L244-I248 VanDerWaalsContact O-CG1 3.23Å; L244-I248 WeakPolarHBondContact O-CG1 3.44Å; L244-I248 PolarHBondContact O-N 3.15Å; V245-I248 PolarHBondContact O-N 3.12Å; I248-L250 PolarHBondContact O-N 2.91Å; I248-G251 PolarHBondContact O-N 3Å; I248-I252 HydrophobicContact CG2-CD1 3.85Å; I248-I252 WeakPolarHBondContact O-CG1 3.34Å; I248-I252 PolarHBondContact O-N 2.9Å |
| 249 | L | 97.4 | Very high | 94.3 | Very high | 106 Ų | 106 | 89.9 Ų | 89.9 | 56% | 0.555 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -63.2 | -40.6 | 178.1 | -70.5 | 170.7 | 0 | 0 | 0 | 112.2 | V245 T246 I252 L253 | V245-L249 HydrophobicContact CG1-CD1 3.96Å; V245-L249 HydrophobicContact CG1-CG 4.49Å; V245-L249 WeakPolarHBondContact O-CG 3.38Å; V245-L249 PolarHBondContact O-N 2.63Å; T246-L249 PolarHBondContact O-N 2.82Å; L249-I252 PolarHBondContact O-N 2.67Å; L249-L253 WeakPolarHBondContact O-CB 3.48Å; L249-L253 PolarHBondContact O-N 2.75Å |
| 250 | L | 97.4 | Very high | 94.6 | Very high | 93 Ų | 93 | 87.9 Ų | 87.9 | 49% | 0.487 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.1 | -41.5 | 173.2 | -72.5 | 169.8 | 0 | 0 | 0 | 111.9 | T246 L247 I248 L253 I254 | T246-L250 WeakPolarHBondContact O-CB 3.47Å; T246-L250 VanDerWaalsContact O-CG 3.31Å; T246-L250 WeakPolarHBondContact O-CG 3.29Å; T246-L250 PolarHBondContact O-N 3.31Å; L247-L250 PolarHBondContact O-N 2.93Å; I248-L250 PolarHBondContact O-N 2.91Å; L250-L253 PolarHBondContact O-N 3.15Å; L250-I254 WeakPolarHBondContact O-CB 3.26Å; L250-I254 WeakPolarHBondContact O-CD1 3.49Å; L250-I254 VanDerWaalsContact O-CG1 3.26Å; L250-I254 WeakPolarHBondContact O-CG1 3.42Å; L250-I254 PolarHBondContact O-N 2.91Å |
| 251 | G | 97.4 | Very high | 94.6 | Very high | 40 Ų | 40 | 93.6 Ų | 93.6 | 41% | 0.412 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60.1 | -44.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | L247 I248 F255 | L247-G251 PolarHBondContact O-N 3.21Å; I248-G251 PolarHBondContact O-N 3Å; G251-F255 VanDerWaalsContact O-CB 3.29Å; G251-F255 WeakPolarHBondContact O-CB 3.26Å; G251-F255 PolarHBondContact O-N 3.15Å |
| 252 | I | 97.3 | Very high | 94.3 | Very high | 110 Ų | 110 | 94.4 Ų | 94.4 | 56% | 0.564 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -63.1 | -42.8 | 175.4 | -68.1 | 164.8 | 0 | 0 | 0 | 111 | I248 L249 G256 | I248-I252 HydrophobicContact CG2-CD1 3.85Å; I248-I252 WeakPolarHBondContact O-CG1 3.34Å; I248-I252 PolarHBondContact O-N 2.9Å; L249-I252 PolarHBondContact O-N 2.67Å; I252-G256 PolarHBondContact O-N 2.85Å |
| 253 | L | 96.8 | Very high | 93.7 | Very high | 105 Ų | 105 | 100.6 Ų | 100.6 | 55% | 0.55 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.4 | -48.4 | 177.9 | -179.9 | 63.6 | 0 | 0 | 0 | 112 | L249 L250 G256 I257 | L249-L253 WeakPolarHBondContact O-CB 3.48Å; L249-L253 PolarHBondContact O-N 2.75Å; L250-L253 PolarHBondContact O-N 3.15Å; L253-G256 PolarHBondContact O-N 3.42Å; L253-I257 HydrophobicContact CD1-CD1 4.18Å; L253-I257 HydrophobicContact CG-CD1 4.08Å; L253-I257 WeakPolarHBondContact O-CG1 3.15Å; L253-I257 PolarHBondContact O-N 3.4Å |
| 254 | I | 96.8 | Very high | 92.2 | Very high | 116 Ų | 116 | 99.5 Ų | 99.5 | 60% | 0.595 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -61.9 | -45 | 178.3 | -68.3 | 164.1 | 0 | 0 | 0 | 110.4 | L250 G256 I257 W258 | L250-I254 WeakPolarHBondContact O-CB 3.26Å; L250-I254 WeakPolarHBondContact O-CD1 3.49Å; L250-I254 VanDerWaalsContact O-CG1 3.26Å; L250-I254 WeakPolarHBondContact O-CG1 3.42Å; L250-I254 PolarHBondContact O-N 2.91Å; I254-G256 PolarHBondContact O-N 3.34Å; I254-I257 PolarHBondContact O-N 2.99Å; I254-W258 WeakPolarHBondContact O-CB 3.29Å; I254-W258 PolarHBondContact O-N 3.35Å |
| 255 | F | 95.9 | Very high | 90.4 | Very high | 120 Ų | 120 | 102.9 Ų | 102.9 | 53% | 0.526 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -62.2 | -42.2 | 175.8 | -177.6 | -100 | 0 | 0 | 0 | 111.8 | G251 W258 F259 | G251-F255 VanDerWaalsContact O-CB 3.29Å; G251-F255 WeakPolarHBondContact O-CB 3.26Å; G251-F255 PolarHBondContact O-N 3.15Å; F255-W258 HydrophobicContact CD2-CE3 4.11Å; F255-W258 HydrophobicContact CD2-CZ3 4.43Å; F255-W258 AromaticContact CE2-CE3 3.98Å; F255-W258 HydrophobicContact CE2-CE3 3.98Å; F255-W258 AromaticContact CE2-CZ3 3.86Å; F255-W258 HydrophobicContact CE2-CZ3 3.86Å; F255-W258 PolarHBondContact O-N 3.5Å; F255-F259 HydrophobicContact CE1-CD2 4.31Å; F255-F259 HydrophobicContact CZ-CD2 4.23Å; F255-F259 WeakPolarHBondContact O-CB 3.39Å; F255-F259 PolarHBondContact O-N 2.87Å |
| 256 | G | 94.5 | Very high | 88.4 | Confident | 37 Ų | 37 | 108.2 Ų | 108.2 | 38% | 0.381 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -61 | -43.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | I252 L253 I254 F259 A260 | I252-G256 PolarHBondContact O-N 2.85Å; L253-G256 PolarHBondContact O-N 3.42Å; I254-G256 PolarHBondContact O-N 3.34Å; G256-F259 PolarHBondContact O-N 2.95Å; G256-A260 WeakPolarHBondContact O-CB 3.46Å; G256-A260 PolarHBondContact O-N 2.94Å |
| 257 | I | 93.3 | Very high | 86.1 | Confident | 109 Ų | 109 | 110.1 Ų | 110.1 | 56% | 0.559 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -63.5 | -47.6 | 175.3 | -66.9 | 164.7 | 0 | 0 | 0 | 110.6 | L253 I254 F259 A260 Y261 | L253-I257 HydrophobicContact CD1-CD1 4.18Å; L253-I257 HydrophobicContact CG-CD1 4.08Å; L253-I257 WeakPolarHBondContact O-CG1 3.15Å; L253-I257 PolarHBondContact O-N 3.4Å; I254-I257 PolarHBondContact O-N 2.99Å; I257-F259 VanDerWaalsContact C-N 3.32Å; I257-F259 PolarHBondContact O-N 2.93Å; I257-A260 PolarHBondContact O-N 3.22Å; I257-Y261 PolarHBondContact O-N 2.86Å |
| 258 | W | 93.4 | Very high | 83.8 | Confident | 155 Ų | 155 | 114.7 Ų | 114.7 | 59% | 0.587 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -63.5 | -36.3 | 177.8 | 177 | 85 | 0 | 0 | 0 | 112.7 | I254 F255 Y261 S262 | I254-W258 WeakPolarHBondContact O-CB 3.29Å; I254-W258 PolarHBondContact O-N 3.35Å; F255-W258 HydrophobicContact CD2-CE3 4.11Å; F255-W258 HydrophobicContact CD2-CZ3 4.43Å; F255-W258 AromaticContact CE2-CE3 3.98Å; F255-W258 HydrophobicContact CE2-CE3 3.98Å; F255-W258 AromaticContact CE2-CZ3 3.86Å; F255-W258 HydrophobicContact CE2-CZ3 3.86Å; F255-W258 PolarHBondContact O-N 3.5Å; W258-Y261 PolarHBondContact O-N 2.93Å; W258-S262 VanDerWaalsContact O-CB 3.3Å; W258-S262 WeakPolarHBondContact O-CB 3.4Å; W258-S262 PolarHBondContact O-N 2.8Å; W258-S262 PolarHBondContact O-OG 3.35Å |
| 259 | F | 92.3 | Very high | 81.4 | Confident | 80 Ų | 80 | 114.8 Ų | 114.8 | 35% | 0.351 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -69.7 | -40.7 | 176.9 | -174.4 | -98.9 | 0 | 0 | 0 | 112.1 | F255 G256 I257 S262 R263 | F255-F259 HydrophobicContact CE1-CD2 4.31Å; F255-F259 HydrophobicContact CZ-CD2 4.23Å; F255-F259 WeakPolarHBondContact O-CB 3.39Å; F255-F259 PolarHBondContact O-N 2.87Å; G256-F259 PolarHBondContact O-N 2.95Å; I257-F259 VanDerWaalsContact C-N 3.32Å; I257-F259 PolarHBondContact O-N 2.93Å; F259-S262 WeakPolarHBondContact CA-OG 3.41Å; F259-S262 PolarHBondContact O-OG 3.5Å; F259-R263 VanDerWaalsContact CZ-NE 3.31Å; F259-R263 WeakPolarHBondContact O-CB 3.3Å; F259-R263 PolarHBondContact O-N 2.97Å |
| 260 | A | 88.4 | Confident | 78.7 | Confident | 54 Ų | 54 | 119.9 Ų | 119.9 | 45% | 0.446 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -63.8 | -40.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | G256 I257 G264 H265 | G256-A260 WeakPolarHBondContact O-CB 3.46Å; G256-A260 PolarHBondContact O-N 2.94Å; I257-A260 PolarHBondContact O-N 3.22Å; A260-G264 PolarHBondContact O-N 2.91Å; A260-H265 PolarHBondContact O-N 2.91Å |
| 261 | Y | 86.1 | Confident | 76 | Confident | 196 Ų | 196 | 125 Ų | 125 | 77% | 0.769 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -66.8 | -51.4 | 175.2 | -174.4 | -96.8 | 0 | 0 | 0 | 112 | I257 W258 R263 G264 | I257-Y261 PolarHBondContact O-N 2.86Å; W258-Y261 PolarHBondContact O-N 2.93Å; Y261-R263 VanDerWaalsContact C-N 3.33Å; Y261-R263 PolarHBondContact O-N 3.01Å; Y261-G264 PolarHBondContact O-N 3.37Å |
| 262 | S | 82.4 | Confident | 73 | Confident | 66 Ų | 66 | 127 Ų | 127 | 46% | 0.462 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -69.2 | -24.5 | -177.1 | 55.4 | 0 | 0 | 0 | 0 | 114.4 | W258 F259 G264 | W258-S262 VanDerWaalsContact O-CB 3.3Å; W258-S262 WeakPolarHBondContact O-CB 3.4Å; W258-S262 PolarHBondContact O-N 2.8Å; W258-S262 PolarHBondContact O-OG 3.35Å; F259-S262 WeakPolarHBondContact CA-OG 3.41Å; F259-S262 PolarHBondContact O-OG 3.5Å; S262-G264 VanDerWaalsContact C-N 3.33Å |
| 263 | R | 79.6 | Confident | 69.9 | Low | 187 Ų | 187 | 127.7 Ų | 127.7 | 71% | 0.706 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.9 | 5.1 | 169.2 | -71.7 | -167.9 | 168.5 | -167.1 | -0.7 | 114.5 | F259 Y261 H265 | F259-R263 VanDerWaalsContact CZ-NE 3.31Å; F259-R263 WeakPolarHBondContact O-CB 3.3Å; F259-R263 PolarHBondContact O-N 2.97Å; Y261-R263 VanDerWaalsContact C-N 3.33Å; Y261-R263 PolarHBondContact O-N 3.01Å; R263-H265 PolarHBondContact O-N 3.33Å |
| 264 | G | 63 | Low | 66.8 | Low | 51 Ų | 51 | 128.4 Ų | 128.4 | 53% | 0.526 | 66% | 0.663 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 66.8 | 28.6 | 167.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | A260 Y261 S262 F266 | A260-G264 PolarHBondContact O-N 2.91Å; Y261-G264 PolarHBondContact O-N 3.37Å; S262-G264 VanDerWaalsContact C-N 3.33Å; G264-F266 PolarHBondContact O-N 2.74Å |
| 265 | H | 57.7 | Low | 64.3 | Low | 166 Ų | 166 | 127.8 Ų | 127.8 | 77% | 0.769 | 67% | 0.669 | S | S | * | * | trans | -75.8 | 30.3 | -175.2 | -156.4 | -64.9 | 0 | 0 | 0 | 113.6 | A260 R263 | A260-H265 PolarHBondContact O-N 2.91Å; R263-H265 PolarHBondContact O-N 3.33Å | ||
| 266 | F | 56 | Low | 61.4 | Low | 197 Ų | 197 | 131.6 Ų | 131.6 | 86% | 0.864 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -142.6 | 43.1 | -171.8 | -140.2 | -87.7 | 0 | 0 | 0 | 113.9 | G264 | G264-F266 PolarHBondContact O-N 2.74Š|
| 267 | D | 47.3 | Very low | 59 | Low | 117 Ų | 117 | 139 Ų | 139 | 63% | 0.626 | 71% | 0.707 | S | S | * | * | trans | -163.5 | 148.7 | 175.5 | -106.7 | -13.3 | 0 | 0 | 0 | 107.9 | ||||
| 268 | R | 50 | Low | 56.3 | Low | 199 Ų | 199 | 140.4 Ų | 140.4 | 75% | 0.751 | 72% | 0.72 | S | S | * | * | cis | -165.8 | 159.8 | -0.7 | -131.5 | 141.7 | 68.6 | -155.2 | 3.6 | 106.2 | ||||
| 269 | T | 46.8 | Very low | 53.9 | Low | 107 Ų | 107 | 139.9 Ų | 139.9 | 66% | 0.656 | 73% | 0.727 | S | S | * | * | cis | -162.6 | 153.1 | 5.3 | -22.1 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 270 | K | 39.6 | Very low | 51.5 | Low | 212 Ų | 212 | 147.3 Ų | 147.3 | 92% | 0.922 | 76% | 0.755 | S | S | * | * | trans | -133.6 | 95 | 146.4 | -88.3 | -171.5 | 177.2 | 178.9 | 0 | 107.7 | ||||
| 271 | K | 41.8 | Very low | 49.1 | Very low | 201 Ų | 201 | 150.3 Ų | 150.3 | 87% | 0.874 | 77% | 0.772 | S | S | * | * | 75.7 | 106.1 | 55.7 | -146.8 | -173.6 | -160.3 | -173.5 | 0 | 112.4 | |||||
| 272 | G | 33.4 | Very low | 47 | Very low | 81 Ų | 81 | 149.8 Ų | 149.8 | 84% | 0.835 | 78% | 0.777 | S | S | * | * | trans | -166.9 | 141.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 273 | S | 32.8 | Very low | 44.9 | Very low | 126 Ų | 126 | 152.8 Ų | 152.8 | 88% | 0.881 | 80% | 0.795 | S | S | * | * | trans | -127.1 | 137.2 | -167.9 | 179.9 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 274 | S | 32.1 | Very low | 42.8 | Very low | 119 Ų | 119 | 149.8 Ų | 149.8 | 83% | 0.832 | 80% | 0.803 | S | S | * | * | -168.1 | 160.1 | 129.1 | -161.6 | 0 | 0 | 0 | 0 | 111 | |||||
| 275 | S | 44 | Very low | 41.6 | Very low | 103 Ų | 103 | 151.6 Ų | 151.6 | 72% | 0.72 | 81% | 0.813 | S | S | * | * | trans | -101.3 | 141.4 | -178.8 | 176.7 | 0 | 0 | 0 | 0 | 112 | ||||
| 276 | K | 34.3 | Very low | 40.6 | Very low | 201 Ų | 201 | 154.1 Ų | 154.1 | 87% | 0.874 | 82% | 0.815 | S | S | * | * | trans | -160.8 | 147.5 | 140.2 | -111 | 159.9 | -171.5 | 178.7 | 0 | 113.1 | ||||
| 277 | K | 45.5 | Very low | 39.7 | Very low | 193 Ų | 193 | 149 Ų | 149 | 84% | 0.839 | 80% | 0.804 | S | S | * | * | trans | -88 | 134.5 | -179.6 | -178.1 | -178.5 | -177.8 | -179.5 | 0 | 109.3 | ||||
| 278 | V | 36.7 | Very low | 39.4 | Very low | 137 Ų | 137 | 150.7 Ų | 150.7 | 83% | 0.83 | 81% | 0.808 | S | S | * | * | trans | -125.4 | 143.9 | 177.4 | -178 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 279 | I | 42.6 | Very low | 38.7 | Very low | 145 Ų | 145 | 144.8 Ų | 144.8 | 74% | 0.744 | 81% | 0.81 | S | S | * | * | trans | -106.3 | 149.9 | -178.4 | -64.9 | 170.2 | 0 | 0 | 0 | 108.4 | ||||
| 280 | Y | 41.7 | Very low | 38.2 | Very low | 235 Ų | 235 | 148.4 Ų | 148.4 | 92% | 0.922 | 82% | 0.819 | S | S | * | * | trans | -61.6 | 136.9 | 178.7 | -76.9 | -91.8 | 0 | 0 | 0 | 113.3 | ||||
| 281 | S | 37.5 | Very low | 38.2 | Very low | 117 Ų | 117 | 145.6 Ų | 145.6 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | trans | -150.6 | 152.4 | 154.1 | 56.2 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 282 | Q | 41.4 | Very low | 37.9 | Very low | 186 Ų | 186 | 145.2 Ų | 145.2 | 87% | 0.869 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -82.3 | 150.6 | -173 | -62.1 | 161.7 | -94.7 | 0 | 0 | 112.4 | ||
| 283 | P | 39.7 | Very low | 38.4 | Very low | 128 Ų | 128 | 148.6 Ų | 148.6 | 83% | 0.831 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 140.8 | 156.6 | -5 | 23.2 | 0 | 0 | 0 | 110.7 | ||
| 284 | S | 34.7 | Very low | 38.6 | Very low | 125 Ų | 125 | 149.5 Ų | 149.5 | 87% | 0.874 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -100.2 | 171.3 | 166.9 | -165.9 | 0 | 0 | 0 | 0 | 111.1 | ||
| 285 | A | 38.4 | Very low | 39.1 | Very low | 89 Ų | 89 | 148.1 Ų | 148.1 | 74% | 0.736 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -80.8 | 173 | -163.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||
| 286 | R | 35.7 | Very low | 39 | Very low | 219 Ų | 219 | 148.3 Ų | 148.3 | 83% | 0.826 | 79% | 0.791 | S | S | * | * | trans | 72.7 | 156.5 | 166.8 | -105 | 178.4 | 159.6 | 137.7 | -3.5 | 116.2 | E288 | R286-E288 IonicContact CZ-OE1 2.81Å; R286-E288 IonicContact NE-OE1 3.99Å; R286-E288 PolarHBondContact NE-OE1 2.87Å; R286-E288 IonicContact NH2-OE1 2.76Å; R286-E288 PolarHBondContact NH2-OE1 3.01Å | ||
| 287 | S | 38 | Very low | 39.5 | Very low | 89 Ų | 89 | 147.1 Ų | 147.1 | 62% | 0.622 | 79% | 0.786 | S | S | * | * | cis | -146.5 | 138.9 | 5.5 | 52.6 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 288 | E | 40.6 | Very low | 39.4 | Very low | 152 Ų | 152 | 145 Ų | 145 | 71% | 0.71 | 78% | 0.784 | S | S | * | * | 72.6 | 137.2 | 107.4 | -61.6 | 171.4 | -169.1 | 0 | 0 | 117.1 | R286 | R286-E288 IonicContact CZ-OE1 2.81Å; R286-E288 IonicContact NE-OE1 3.99Å; R286-E288 PolarHBondContact NE-OE1 2.87Å; R286-E288 IonicContact NH2-OE1 2.76Å; R286-E288 PolarHBondContact NH2-OE1 3.01Å | |||
| 289 | G | 35.8 | Very low | 39.7 | Very low | 76 Ų | 76 | 148.3 Ų | 148.3 | 78% | 0.784 | 80% | 0.803 | S | S | * | * | trans | 89.3 | 143.2 | 168.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 290 | E | 36.3 | Very low | 39.6 | Very low | 182 Ų | 182 | 148.5 Ų | 148.5 | 85% | 0.85 | 81% | 0.806 | S | S | * | * | cis | -154.8 | 176.6 | -20.8 | -145.8 | -160.1 | 107.7 | 0 | 0 | 110.6 | ||||
| 291 | F | 39.3 | Very low | 39.5 | Very low | 153 Ų | 153 | 143.9 Ų | 143.9 | 67% | 0.671 | 80% | 0.8 | S | S | * | * | trans | -73.3 | 143 | -176.1 | -139.2 | -109.9 | 0 | 0 | 0 | 112.3 | Q293 | F291-Q293 HydrophobicContact CE1-CB 4.28Š| ||
| 292 | K | 34.9 | Very low | 39.6 | Very low | 194 Ų | 194 | 145.4 Ų | 145.4 | 84% | 0.843 | 80% | 0.799 | S | S | * | * | -165.2 | 134.4 | 116.4 | -105.6 | 150.6 | -169.7 | 159.9 | 0 | 114.7 | |||||
| 293 | Q | 43.5 | Very low | 39.5 | Very low | 151 Ų | 151 | 143 Ų | 143 | 71% | 0.706 | 80% | 0.795 | S | S | * | * | trans | -100.7 | 140.7 | 173.4 | 175 | -173.6 | 10.9 | 0 | 0 | 108.4 | F291 | F291-Q293 HydrophobicContact CE1-CB 4.28Š| ||
| 294 | T | 37.5 | Very low | 39.5 | Very low | 146 Ų | 146 | 143.9 Ų | 143.9 | 90% | 0.896 | 79% | 0.793 | S | S | * | * | trans | -141.9 | 139.2 | 160.3 | 5.9 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 295 | S | 43.2 | Very low | 39.8 | Very low | 90 Ų | 90 | 145.2 Ų | 145.2 | 63% | 0.629 | 79% | 0.788 | S | S | * | * | trans | -129.2 | 140.4 | -176.3 | 173.5 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 296 | S | 42.2 | Very low | 39.9 | Very low | 106 Ų | 106 | 149.2 Ų | 149.2 | 74% | 0.741 | 79% | 0.791 | S | S | * | * | trans | -172.8 | 140.3 | 145.5 | 47.8 | 0 | 0 | 0 | 0 | 108 | ||||
| 297 | F | 44.3 | Very low | 40.2 | Very low | 176 Ų | 176 | 143.8 Ų | 143.8 | 77% | 0.772 | 79% | 0.789 | S | S | * | * | 59.5 | 131.3 | 52.3 | -74.1 | -69.1 | 0 | 0 | 0 | 110.7 | |||||
| 298 | L | 43.3 | Very low | 40.4 | Very low | 149 Ų | 149 | 148.4 Ų | 148.4 | 78% | 0.78 | 80% | 0.803 | S | S | * | * | cis | -140.6 | -175.2 | 8.3 | -83.2 | 122.3 | 0 | 0 | 0 | 108.1 | ||||
| 299 | V | 43.9 | Very low | 40.4 | Very low | 206 Ų | 206 | 148.1 Ų | 148.1 | 100% | 1.248 | 81% | 0.811 | S | S | * | * | cis | -129.5 | 0 | 7 | -177.3 | 0 | 0 | 0 | 0 | 108.6 |
Retrieved 299 of 299 residues in 515.3 ms
(Link to these results)