| 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 | 54.9 | Low | 73.9 | Confident | 220 Ų | 220 | 149.5 Ų | 149.5 | 100% | 1.084 | 68% | 0.675 | S | S | * | * | 0 | -22.8 | 0 | -79.7 | 171.6 | 125.2 | 0 | 0 | 115.4 | F3 | M1-F3 PolarHBondContact O-N 3.11Š| |||
| 2 | K | 64.4 | Low | 74.7 | Confident | 193 Ų | 193 | 144.3 Ų | 144.3 | 84% | 0.839 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -64.9 | -36.4 | -176.6 | -72.8 | -179 | 175.5 | 177.4 | 0 | 115.3 | R4 | K2-R4 PolarHBondContact O-N 3.43Å |
| 3 | F | 64.8 | Low | 75.5 | Confident | 179 Ų | 179 | 146.1 Ų | 146.1 | 79% | 0.785 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -68.3 | -36.8 | -175.1 | -107.3 | -85.8 | 0 | 0 | 0 | 114.7 | M1 N5 Y6 I7 | M1-F3 PolarHBondContact O-N 3.11Å; F3-N5 PolarHBondContact O-N 2.81Å; F3-Y6 WeakPolarHBondContact O-CB 3.39Å; F3-Y6 PolarHBondContact O-N 3.38Å; F3-I7 PolarHBondContact O-N 2.65Å |
| 4 | R | 69.8 | Low | 75.8 | Confident | 201 Ų | 201 | 142.2 Ų | 142.2 | 76% | 0.758 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -69.4 | -34.5 | -176.3 | -172.7 | 173.8 | 158.3 | -168 | -6.9 | 112.3 | K2 Y6 I8 | K2-R4 PolarHBondContact O-N 3.43Å; R4-Y6 VanDerWaalsContact C-N 3.34Å; R4-I8 PolarHBondContact O-N 3.04Å |
| 5 | N | 74.1 | Confident | 76 | Confident | 99 Ų | 99 | 140.7 Ų | 140.7 | 53% | 0.529 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -68.3 | -34.9 | 175 | -74.2 | -3.3 | 0 | 0 | 0 | 111.6 | F3 I7 I8 F9 | F3-N5 PolarHBondContact O-N 2.81Å; N5-I7 PolarHBondContact O-N 3.08Å; N5-I8 PolarHBondContact O-N 3.28Å; N5-F9 WeakPolarHBondContact O-CD2 3.29Å; N5-F9 PolarHBondContact O-N 2.91Å; N5-F9 VanDerWaalsContact O-N 3.1Å |
| 6 | Y | 77.4 | Confident | 76 | Confident | 175 Ų | 175 | 138 Ų | 138 | 69% | 0.686 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -62.4 | -40.9 | 179 | -144.9 | -89.9 | 0 | 0 | 0 | 112.4 | F3 R4 I8 F9 L10 | F3-Y6 WeakPolarHBondContact O-CB 3.39Å; F3-Y6 PolarHBondContact O-N 3.38Å; R4-Y6 VanDerWaalsContact C-N 3.34Å; Y6-I8 PolarHBondContact O-N 3.24Å; Y6-F9 PolarHBondContact O-N 2.95Å; Y6-L10 WeakPolarHBondContact O-CB 3.16Å; Y6-L10 PolarHBondContact O-N 3.4Å |
| 7 | I | 78.4 | Confident | 76 | Confident | 100 Ų | 100 | 134.3 Ų | 134.3 | 51% | 0.513 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -66 | -37.5 | 178.7 | -62.7 | 171.4 | 0 | 0 | 0 | 111.6 | F3 N5 L10 K11 | F3-I7 PolarHBondContact O-N 2.65Å; N5-I7 PolarHBondContact O-N 3.08Å; I7-L10 PolarHBondContact O-N 3.42Å; I7-K11 PolarHBondContact O-N 2.91Å; I7-K11 VanDerWaalsContact O-N 3.14Å |
| 8 | I | 81.3 | Confident | 75.2 | Confident | 85 Ų | 85 | 133.9 Ų | 133.9 | 44% | 0.436 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -67.8 | -46.3 | 179 | -65.2 | 168 | 0 | 0 | 0 | 110.2 | R4 N5 Y6 L10 K11 I12 | R4-I8 PolarHBondContact O-N 3.04Å; N5-I8 PolarHBondContact O-N 3.28Å; Y6-I8 PolarHBondContact O-N 3.24Å; I8-L10 VanDerWaalsContact C-N 3.31Å; I8-L10 PolarHBondContact O-N 2.92Å; I8-K11 PolarHBondContact O-N 2.04Å; I8-I12 HydrophobicContact CG2-CD1 3.89Å; I8-I12 WeakPolarHBondContact O-CG1 3.09Å; I8-I12 PolarHBondContact O-N 2.04Å; I8-I12 VanDerWaalsContact O-N 3.11Å |
| 9 | F | 80 | Confident | 74.7 | Confident | 153 Ų | 153 | 130.9 Ų | 130.9 | 67% | 0.671 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -60.4 | -40.7 | 175.6 | -90.8 | -80.5 | 0 | 0 | 0 | 112.1 | N5 Y6 K11 I12 W13 | N5-F9 WeakPolarHBondContact O-CD2 3.29Å; N5-F9 PolarHBondContact O-N 2.91Å; N5-F9 VanDerWaalsContact O-N 3.1Å; Y6-F9 PolarHBondContact O-N 2.95Å; F9-K11 PolarHBondContact O-N 3.48Å; F9-I12 PolarHBondContact O-N 2.83Å; F9-W13 WeakPolarHBondContact O-CB 3.43Å; F9-W13 PolarHBondContact O-N 2.86Å |
| 10 | L | 84.2 | Confident | 74.1 | Confident | 95 Ų | 95 | 130 Ų | 130 | 50% | 0.497 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -60.9 | -42.5 | 177.4 | -157.1 | 90.9 | 0 | 0 | 0 | 112.2 | Y6 I7 I8 W13 L14 | Y6-L10 WeakPolarHBondContact O-CB 3.16Å; Y6-L10 PolarHBondContact O-N 3.4Å; I7-L10 PolarHBondContact O-N 3.42Å; I8-L10 VanDerWaalsContact C-N 3.31Å; I8-L10 PolarHBondContact O-N 2.92Å; L10-W13 PolarHBondContact O-N 3.4Å; L10-L14 HydrophobicContact CD2-CD1 4.48Å; L10-L14 WeakPolarHBondContact O-CB 3.08Å; L10-L14 PolarHBondContact O-N 2.85Å |
| 11 | K | 83.4 | Confident | 73.4 | Confident | 144 Ų | 144 | 127.8 Ų | 127.8 | 63% | 0.626 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -66.2 | -41.3 | 178.1 | -78 | -172.3 | 175 | -174 | 0 | 112.6 | I7 I8 F9 L15 | I7-K11 PolarHBondContact O-N 2.91Å; I7-K11 VanDerWaalsContact O-N 3.14Å; I8-K11 PolarHBondContact O-N 2.04Å; F9-K11 PolarHBondContact O-N 3.48Å; K11-L15 PolarHBondContact O-N 2.89Å; K11-L15 VanDerWaalsContact O-N 3.07Å |
| 12 | I | 84.3 | Confident | 73.4 | Confident | 88 Ų | 88 | 120.9 Ų | 120.9 | 45% | 0.451 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -66.3 | -41.3 | 177.9 | -66.5 | 166.3 | 0 | 0 | 0 | 110.3 | I8 F9 L15 L16 | I8-I12 HydrophobicContact CG2-CD1 3.89Å; I8-I12 WeakPolarHBondContact O-CG1 3.09Å; I8-I12 PolarHBondContact O-N 2.04Å; I8-I12 VanDerWaalsContact O-N 3.11Å; F9-I12 PolarHBondContact O-N 2.83Å; I12-L15 PolarHBondContact O-N 3.43Å; I12-L16 HydrophobicContact CG2-CD1 3.99Å; I12-L16 PolarHBondContact O-N 2.87Å |
| 13 | W | 84 | Confident | 73 | Confident | 167 Ų | 167 | 118 Ų | 118 | 63% | 0.633 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -63.8 | -44.2 | 177.3 | -169.2 | 80.8 | 0 | 0 | 0 | 112.1 | F9 L10 L15 L16 L17 | F9-W13 WeakPolarHBondContact O-CB 3.43Å; F9-W13 PolarHBondContact O-N 2.86Å; L10-W13 PolarHBondContact O-N 3.4Å; W13-L15 VanDerWaalsContact C-N 3.34Å; W13-L15 PolarHBondContact O-N 2.86Å; W13-L16 PolarHBondContact O-N 3.41Å; W13-L17 HydrophobicContact CD2-CD1 4.18Å; W13-L17 HydrophobicContact CE3-CD1 4.13Å; W13-L17 HydrophobicContact CH2-CD1 3.34Å; W13-L17 HydrophobicContact CZ2-CD1 3.35Å; W13-L17 HydrophobicContact CZ3-CD1 3.73Å; W13-L17 WeakPolarHBondContact O-CB 3.47Å; W13-L17 PolarHBondContact O-N 2.76Å |
| 14 | L | 80.7 | Confident | 72.1 | Confident | 92 Ų | 92 | 112.2 Ų | 112.2 | 48% | 0.482 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -59.4 | -41.1 | 173.6 | -94.2 | 153.4 | 0 | 0 | 0 | 112.8 | L10 L17 H18 | L10-L14 HydrophobicContact CD2-CD1 4.48Å; L10-L14 WeakPolarHBondContact O-CB 3.08Å; L10-L14 PolarHBondContact O-N 2.85Å; L14-L17 PolarHBondContact O-N 3.34Å; L14-H18 WeakPolarHBondContact O-CB 3.49Å; L14-H18 PolarHBondContact O-N 3.01Å |
| 15 | L | 78.3 | Confident | 70.8 | Confident | 119 Ų | 119 | 109.4 Ų | 109.4 | 62% | 0.623 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -64.3 | -46.4 | 175.9 | -96.4 | 153.7 | 0 | 0 | 0 | 111.9 | K11 I12 W13 L17 H18 V19 | K11-L15 PolarHBondContact O-N 2.89Å; K11-L15 VanDerWaalsContact O-N 3.07Å; I12-L15 PolarHBondContact O-N 3.43Å; W13-L15 VanDerWaalsContact C-N 3.34Å; W13-L15 PolarHBondContact O-N 2.86Å; L15-L17 VanDerWaalsContact C-N 3.34Å; L15-L17 PolarHBondContact O-N 3.16Å; L15-H18 PolarHBondContact O-N 3.13Å; L15-V19 WeakPolarHBondContact O-CG2 3.07Å; L15-V19 PolarHBondContact O-N 2Å |
| 16 | L | 76.2 | Confident | 69.3 | Low | 98 Ų | 98 | 114.4 Ų | 114.4 | 51% | 0.513 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -62.3 | -42.2 | 176.6 | -83 | 161.1 | 0 | 0 | 0 | 111.6 | I12 W13 H18 V19 I20 | I12-L16 HydrophobicContact CG2-CD1 3.99Å; I12-L16 PolarHBondContact O-N 2.87Å; W13-L16 PolarHBondContact O-N 3.41Å; L16-H18 VanDerWaalsContact C-N 3.33Å; L16-H18 PolarHBondContact O-N 3.42Å; L16-V19 PolarHBondContact O-N 3.05Å; L16-I20 VanDerWaalsContact O-CG1 3.27Å; L16-I20 WeakPolarHBondContact O-CG1 3.31Å; L16-I20 PolarHBondContact O-N 3.47Å |
| 17 | L | 75.1 | Confident | 67.6 | Low | 75 Ų | 75 | 108.7 Ų | 108.7 | 39% | 0.393 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -64.8 | -39.1 | 177.9 | -144.3 | 129.8 | 0 | 0 | 0 | 111.2 | W13 L14 L15 I20 V21 | W13-L17 HydrophobicContact CD2-CD1 4.18Å; W13-L17 HydrophobicContact CE3-CD1 4.13Å; W13-L17 HydrophobicContact CH2-CD1 3.34Å; W13-L17 HydrophobicContact CZ2-CD1 3.35Å; W13-L17 HydrophobicContact CZ3-CD1 3.73Å; W13-L17 WeakPolarHBondContact O-CB 3.47Å; W13-L17 PolarHBondContact O-N 2.76Å; L14-L17 PolarHBondContact O-N 3.34Å; L15-L17 VanDerWaalsContact C-N 3.34Å; L15-L17 PolarHBondContact O-N 3.16Å; L17-I20 PolarHBondContact O-N 2.9Å; L17-V21 HydrophobicContact CD2-CG2 4.18Å; L17-V21 WeakPolarHBondContact O-CB 3.37Å; L17-V21 VanDerWaalsContact O-CG2 3.24Å; L17-V21 WeakPolarHBondContact O-CG2 3.42Å; L17-V21 PolarHBondContact O-N 2.77Å |
| 18 | H | 62.9 | Low | 65.8 | Low | 127 Ų | 127 | 112.5 Ų | 112.5 | 59% | 0.588 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -62.4 | -41.5 | 172.7 | -116.1 | -71.6 | 0 | 0 | 0 | 112.6 | L14 L15 L16 C22 | L14-H18 WeakPolarHBondContact O-CB 3.49Å; L14-H18 PolarHBondContact O-N 3.01Å; L15-H18 PolarHBondContact O-N 3.13Å; L16-H18 VanDerWaalsContact C-N 3.33Å; L16-H18 PolarHBondContact O-N 3.42Å; H18-C22 VanDerWaalsContact O-CB 3.24Å; H18-C22 WeakPolarHBondContact O-CB 3.39Å; H18-C22 PolarHBondContact O-N 2.84Å; H18-C22 PolarHBondContact O-SG 3.38Å |
| 19 | V | 64.6 | Low | 64 | Low | 78 Ų | 78 | 112.4 Ų | 112.4 | 47% | 0.473 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -67.4 | -41.2 | 177.1 | 173.2 | 0 | 0 | 0 | 0 | 111.1 | L15 L16 C22 N23 | L15-V19 WeakPolarHBondContact O-CG2 3.07Å; L15-V19 PolarHBondContact O-N 2Å; L16-V19 PolarHBondContact O-N 3.05Å; V19-C22 PolarHBondContact O-N 2.97Å; V19-N23 WeakPolarHBondContact O-CB 3.33Å; V19-N23 PolarHBondContact O-N 2.86Å |
| 20 | I | 64.1 | Low | 62.4 | Low | 112 Ų | 112 | 108.7 Ų | 108.7 | 57% | 0.574 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -67 | -43.9 | 177.9 | -66.1 | 165.4 | 0 | 0 | 0 | 110.6 | L16 L17 C22 N23 G24 | L16-I20 VanDerWaalsContact O-CG1 3.27Å; L16-I20 WeakPolarHBondContact O-CG1 3.31Å; L16-I20 PolarHBondContact O-N 3.47Å; L17-I20 PolarHBondContact O-N 2.9Å; I20-C22 VanDerWaalsContact C-N 3.33Å; I20-C22 PolarHBondContact O-N 2.04Å; I20-N23 PolarHBondContact O-N 2.96Å; I20-G24 WeakPolarHBondContact O-CA 3.09Å; I20-G24 PolarHBondContact O-N 3.17Å |
| 21 | V | 57.9 | Low | 60.4 | Low | 83 Ų | 83 | 113 Ų | 113 | 50% | 0.503 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -66.6 | -36.3 | 176.5 | 174.3 | 0 | 0 | 0 | 0 | 111 | L17 | L17-V21 HydrophobicContact CD2-CG2 4.18Å; L17-V21 WeakPolarHBondContact O-CB 3.37Å; L17-V21 VanDerWaalsContact O-CG2 3.24Å; L17-V21 WeakPolarHBondContact O-CG2 3.42Å; L17-V21 PolarHBondContact O-N 2.77Å |
| 22 | C | 56.3 | Low | 58.4 | Low | 76 Ų | 76 | 112 Ų | 112 | 51% | 0.514 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -69.7 | -32.3 | 175.7 | -75.2 | 0 | 0 | 0 | 0 | 113.4 | H18 V19 I20 | H18-C22 VanDerWaalsContact O-CB 3.24Å; H18-C22 WeakPolarHBondContact O-CB 3.39Å; H18-C22 PolarHBondContact O-N 2.84Å; H18-C22 PolarHBondContact O-SG 3.38Å; V19-C22 PolarHBondContact O-N 2.97Å; I20-C22 VanDerWaalsContact C-N 3.33Å; I20-C22 PolarHBondContact O-N 2.04Å |
| 23 | N | 55 | Low | 56.4 | Low | 133 Ų | 133 | 114.7 Ų | 114.7 | 71% | 0.711 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -91.8 | -28.2 | 178.8 | -79.6 | -15.9 | 0 | 0 | 0 | 113.9 | V19 I20 | V19-N23 WeakPolarHBondContact O-CB 3.33Å; V19-N23 PolarHBondContact O-N 2.86Å; I20-N23 PolarHBondContact O-N 2.96Å |
| 24 | G | 46.4 | Very low | 54.6 | Low | 57 Ų | 57 | 111 Ų | 111 | 59% | 0.588 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -81 | -24.4 | -169.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | I20 | I20-G24 WeakPolarHBondContact O-CA 3.09Å; I20-G24 PolarHBondContact O-N 3.17Å |
| 25 | D | 42.3 | Very low | 52.9 | Low | 141 Ų | 141 | 110.3 Ų | 110.3 | 75% | 0.754 | 60% | 0.6 | S | S | * | * | S | Bend | trans | -112.9 | 7.4 | -171.1 | -101.2 | -23.3 | 0 | 0 | 0 | 115.6 | G27 | D25-G27 PolarHBondContact O-N 2.89Å; D25-G27 VanDerWaalsContact O-N 3.08Å |
| 26 | Y | 43.3 | Very low | 51.4 | Low | 205 Ų | 205 | 107.3 Ų | 107.3 | 80% | 0.804 | 59% | 0.589 | S | S | * | * | trans | -85.8 | 73.8 | 160.2 | -81.2 | -83.2 | 0 | 0 | 0 | 109 | K28 | Y26-K28 PolarHBondContact O-N 2.9Š| ||
| 27 | G | 40.3 | Very low | 50 | Low | 55 Ų | 55 | 109.8 Ų | 109.8 | 57% | 0.567 | 60% | 0.598 | S | S | * | * | trans | -52 | 85.9 | 166.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | D25 A29 | D25-G27 PolarHBondContact O-N 2.89Å; D25-G27 VanDerWaalsContact O-N 3.08Å; G27-A29 PolarHBondContact O-N 3.45Å | ||
| 28 | K | 42.1 | Very low | 48.6 | Very low | 180 Ų | 180 | 111.3 Ų | 111.3 | 78% | 0.783 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -61.8 | -15.6 | 169.9 | -88.5 | 179.1 | 172.3 | 174.5 | 0 | 112.5 | Y26 | Y26-K28 PolarHBondContact O-N 2.9Å |
| 29 | A | 43.6 | Very low | 47.6 | Very low | 82 Ų | 82 | 110.5 Ų | 110.5 | 68% | 0.678 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -79.7 | -25.3 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | G27 | G27-A29 PolarHBondContact O-N 3.45Å |
| 30 | S | 45.4 | Very low | 46.9 | Very low | 75 Ų | 75 | 110.9 Ų | 110.9 | 52% | 0.524 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -91.9 | -34 | -170.4 | 167 | 0 | 0 | 0 | 0 | 114.5 | ||
| 31 | Y | 42.3 | Very low | 46.3 | Very low | 187 Ų | 187 | 108.1 Ų | 108.1 | 73% | 0.733 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -89.8 | -30.2 | -169.4 | -91.2 | -85.3 | 0 | 0 | 0 | 114.8 | Q33 V34 D35 | Y31-Q33 PolarHBondContact O-N 2.77Å; Y31-V34 PolarHBondContact O-N 3.25Å; Y31-D35 PolarHBondContact O-N 2.84Å |
| 32 | D | 40.9 | Very low | 45.8 | Very low | 123 Ų | 123 | 105.2 Ų | 105.2 | 66% | 0.658 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -67.3 | -28.2 | 176.4 | -73.7 | -20.4 | 0 | 0 | 0 | 111.2 | S36 | D32-S36 WeakPolarHBondContact O-CB 3.39Å; D32-S36 PolarHBondContact O-N 3.32Å |
| 33 | Q | 43.1 | Very low | 45.3 | Very low | 143 Ų | 143 | 107.3 Ų | 107.3 | 67% | 0.668 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -70.7 | -43.1 | 178.9 | -129.5 | 175.8 | -16 | 0 | 0 | 112.5 | Y31 S36 E37 | Y31-Q33 PolarHBondContact O-N 2.77Å; Q33-S36 PolarHBondContact O-N 3.44Å; Q33-E37 PolarHBondContact O-N 2.95Å |
| 34 | V | 45.8 | Very low | 45.1 | Very low | 90 Ų | 90 | 108.1 Ų | 108.1 | 55% | 0.545 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -67.9 | -38.7 | 178.1 | -176.6 | 0 | 0 | 0 | 0 | 111.4 | Y31 S36 Y38 | Y31-V34 PolarHBondContact O-N 3.25Å; V34-S36 VanDerWaalsContact C-N 3.28Å; V34-S36 PolarHBondContact O-N 3.22Å; V34-Y38 WeakPolarHBondContact O-CB 3.36Å; V34-Y38 PolarHBondContact O-N 2.94Å; V34-Y38 VanDerWaalsContact O-N 3.12Å |
| 35 | D | 44.3 | Very low | 45.1 | Very low | 77 Ų | 77 | 112.7 Ų | 112.7 | 41% | 0.412 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -71.5 | -25.9 | 176.7 | -133.4 | 17.9 | 0 | 0 | 0 | 111.2 | Y31 K39 | Y31-D35 PolarHBondContact O-N 2.84Å; D35-K39 VanDerWaalsContact O-CB 3.22Å; D35-K39 WeakPolarHBondContact O-CB 3.2Å; D35-K39 VanDerWaalsContact O-CG 3.23Å; D35-K39 WeakPolarHBondContact O-CG 3.47Å; D35-K39 PolarHBondContact O-N 2.9Å |
| 36 | S | 47.2 | Very low | 45.2 | Very low | 56 Ų | 56 | 109.7 Ų | 109.7 | 39% | 0.392 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -72.8 | -50.8 | 173.7 | -162.8 | 0 | 0 | 0 | 0 | 112.2 | D32 Q33 V34 Y38 K39 D40 | D32-S36 WeakPolarHBondContact O-CB 3.39Å; D32-S36 PolarHBondContact O-N 3.32Å; Q33-S36 PolarHBondContact O-N 3.44Å; V34-S36 VanDerWaalsContact C-N 3.28Å; V34-S36 PolarHBondContact O-N 3.22Å; S36-Y38 VanDerWaalsContact C-N 3.29Å; S36-Y38 PolarHBondContact O-N 2.76Å; S36-K39 WeakPolarHBondContact O-CB 3.03Å; S36-K39 PolarHBondContact O-N 3.35Å; S36-K39 VanDerWaalsContact O-N 3.1Å; S36-D40 PolarHBondContact O-N 2.89Å |
| 37 | E | 47.7 | Very low | 45.5 | Very low | 150 Ų | 150 | 106.1 Ų | 106.1 | 70% | 0.701 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -61.3 | -40.1 | 177.9 | -88 | -175.7 | 162.3 | 0 | 0 | 111.8 | Q33 D40 A41 | Q33-E37 PolarHBondContact O-N 2.95Å; E37-D40 PolarHBondContact O-N 3Å; E37-A41 WeakPolarHBondContact O-CB 3.45Å; E37-A41 PolarHBondContact O-N 3.43Å |
| 38 | Y | 44.5 | Very low | 46 | Very low | 107 Ų | 107 | 112.3 Ų | 112.3 | 42% | 0.42 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -66 | -39.2 | 174.8 | -173.9 | -98 | 0 | 0 | 0 | 112 | V34 S36 V42 | V34-Y38 WeakPolarHBondContact O-CB 3.36Å; V34-Y38 PolarHBondContact O-N 2.94Å; V34-Y38 VanDerWaalsContact O-N 3.12Å; S36-Y38 VanDerWaalsContact C-N 3.29Å; S36-Y38 PolarHBondContact O-N 2.76Å; Y38-V42 HydrophobicContact CD1-CG2 4.21Å; Y38-V42 HydrophobicContact CE1-CG2 3.8Å; Y38-V42 HydrophobicContact CE2-CG2 4.19Å; Y38-V42 WeakPolarHBondContact O-CB 3.41Å; Y38-V42 VanDerWaalsContact O-CG2 3.25Å; Y38-V42 WeakPolarHBondContact O-CG2 3.06Å; Y38-V42 PolarHBondContact O-N 2.82Å; Y38-V42 VanDerWaalsContact O-N 3.12Å |
| 39 | K | 42.8 | Very low | 46.3 | Very low | 111 Ų | 111 | 106.2 Ų | 106.2 | 48% | 0.483 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -62.5 | -45.8 | 174.5 | -91.4 | 179.9 | 170.8 | -173.6 | 0 | 112 | D35 S36 V42 E43 | D35-K39 VanDerWaalsContact O-CB 3.22Å; D35-K39 WeakPolarHBondContact O-CB 3.2Å; D35-K39 VanDerWaalsContact O-CG 3.23Å; D35-K39 WeakPolarHBondContact O-CG 3.47Å; D35-K39 PolarHBondContact O-N 2.9Å; S36-K39 WeakPolarHBondContact O-CB 3.03Å; S36-K39 PolarHBondContact O-N 3.35Å; S36-K39 VanDerWaalsContact O-N 3.1Å; K39-V42 PolarHBondContact O-N 3.1Å; K39-E43 WeakPolarHBondContact O-CB 3.44Å; K39-E43 WeakPolarHBondContact O-CG 3.12Å; K39-E43 PolarHBondContact O-N 2.83Å |
| 40 | D | 50.6 | Low | 46.5 | Very low | 86 Ų | 86 | 106.6 Ų | 106.6 | 46% | 0.46 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -65.9 | -41.8 | -177.3 | -71.2 | -21.5 | 0 | 0 | 0 | 111.1 | S36 E37 V42 E43 Q44 | S36-D40 PolarHBondContact O-N 2.89Å; E37-D40 PolarHBondContact O-N 3Å; D40-V42 PolarHBondContact O-N 2.99Å; D40-E43 PolarHBondContact O-N 3.36Å; D40-Q44 WeakPolarHBondContact O-CB 3.41Å; D40-Q44 WeakPolarHBondContact O-CG 3.41Å; D40-Q44 PolarHBondContact O-N 3.01Å |
| 41 | A | 50.8 | Low | 46.7 | Very low | 54 Ų | 54 | 110.7 Ų | 110.7 | 45% | 0.446 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -62.5 | -43.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | E37 E45 | E37-A41 WeakPolarHBondContact O-CB 3.45Å; E37-A41 PolarHBondContact O-N 3.43Å; A41-E45 PolarHBondContact O-N 3.01Å |
| 42 | V | 47.3 | Very low | 47.3 | Very low | 21 Ų | 21 | 106.7 Ų | 106.7 | 13% | 0.127 | 56% | 0.564 | C | S | . | * | H | α-helix | trans | -71.7 | -38.7 | 178.7 | 173.4 | 0 | 0 | 0 | 0 | 111.7 | Y38 K39 D40 Q44 E45 I46 | Y38-V42 HydrophobicContact CD1-CG2 4.21Å; Y38-V42 HydrophobicContact CE1-CG2 3.8Å; Y38-V42 HydrophobicContact CE2-CG2 4.19Å; Y38-V42 WeakPolarHBondContact O-CB 3.41Å; Y38-V42 VanDerWaalsContact O-CG2 3.25Å; Y38-V42 WeakPolarHBondContact O-CG2 3.06Å; Y38-V42 PolarHBondContact O-N 2.82Å; Y38-V42 VanDerWaalsContact O-N 3.12Å; K39-V42 PolarHBondContact O-N 3.1Å; D40-V42 PolarHBondContact O-N 2.99Å; V42-Q44 VanDerWaalsContact C-N 3.35Å; V42-E45 PolarHBondContact O-N 3.32Å; V42-I46 HydrophobicContact CG1-CD1 3.66Å; V42-I46 HydrophobicContact CG1-CG1 4.28Å; V42-I46 WeakPolarHBondContact O-CD1 3.08Å; V42-I46 WeakPolarHBondContact O-CG1 3.39Å; V42-I46 PolarHBondContact O-N 3.14Å |
| 43 | E | 46.1 | Very low | 48.1 | Very low | 120 Ų | 120 | 109.1 Ų | 109.1 | 56% | 0.561 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -63.7 | -40 | 175 | -80.3 | -171.9 | 176.6 | 0 | 0 | 111.5 | K39 D40 E45 I46 V47 | K39-E43 WeakPolarHBondContact O-CB 3.44Å; K39-E43 WeakPolarHBondContact O-CG 3.12Å; K39-E43 PolarHBondContact O-N 2.83Å; D40-E43 PolarHBondContact O-N 3.36Å; E43-E45 PolarHBondContact O-N 3.23Å; E43-I46 PolarHBondContact O-N 2.81Å; E43-V47 WeakPolarHBondContact O-CG2 3.42Å; E43-V47 PolarHBondContact O-N 2.87Å |
| 44 | Q | 50.6 | Low | 48.7 | Very low | 151 Ų | 151 | 108.9 Ų | 108.9 | 71% | 0.706 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -64.3 | -36.6 | 175.3 | -79.8 | -173.3 | -4.2 | 0 | 0 | 113.4 | D40 V42 | D40-Q44 WeakPolarHBondContact O-CB 3.41Å; D40-Q44 WeakPolarHBondContact O-CG 3.41Å; D40-Q44 PolarHBondContact O-N 3.01Å; V42-Q44 VanDerWaalsContact C-N 3.35Å |
| 45 | E | 46.1 | Very low | 49.7 | Very low | 152 Ų | 152 | 107.4 Ų | 107.4 | 71% | 0.71 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -71 | -38.5 | 174.2 | -84.6 | -169.2 | 153.6 | 0 | 0 | 112.4 | A41 V42 E43 V47 K48 | A41-E45 PolarHBondContact O-N 3.01Å; V42-E45 PolarHBondContact O-N 3.32Å; E43-E45 PolarHBondContact O-N 3.23Å; E45-V47 VanDerWaalsContact C-N 3.29Å; E45-V47 PolarHBondContact O-N 3.41Å; E45-K48 PolarHBondContact O-N 2.81Å |
| 46 | I | 44 | Very low | 51 | Low | 79 Ų | 79 | 108.1 Ų | 108.1 | 41% | 0.405 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -63.8 | -35.2 | -179.6 | -69.5 | 166.4 | 0 | 0 | 0 | 111.5 | V42 E43 K48 A49 | V42-I46 HydrophobicContact CG1-CD1 3.66Å; V42-I46 HydrophobicContact CG1-CG1 4.28Å; V42-I46 WeakPolarHBondContact O-CD1 3.08Å; V42-I46 WeakPolarHBondContact O-CG1 3.39Å; V42-I46 PolarHBondContact O-N 3.14Å; E43-I46 PolarHBondContact O-N 2.81Å; I46-K48 PolarHBondContact O-N 2.86Å; I46-K48 VanDerWaalsContact O-N 3.15Å; I46-A49 PolarHBondContact O-N 3.43Å |
| 47 | V | 50.5 | Low | 52.2 | Low | 129 Ų | 129 | 105.8 Ų | 105.8 | 78% | 0.782 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.9 | -20.2 | 179.8 | 176.2 | 0 | 0 | 0 | 0 | 112.6 | E43 E45 | E43-V47 WeakPolarHBondContact O-CG2 3.42Å; E43-V47 PolarHBondContact O-N 2.87Å; E45-V47 VanDerWaalsContact C-N 3.29Å; E45-V47 PolarHBondContact O-N 3.41Å |
| 48 | K | 51.2 | Low | 53.5 | Low | 186 Ų | 186 | 106.9 Ų | 106.9 | 81% | 0.809 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.4 | -14.4 | 178.3 | -71.2 | -176.9 | -179.4 | 175.1 | 0 | 114.5 | E45 I46 | E45-K48 PolarHBondContact O-N 2.81Å; I46-K48 PolarHBondContact O-N 2.86Å; I46-K48 VanDerWaalsContact O-N 3.15Å |
| 49 | A | 47 | Very low | 55 | Low | 51 Ų | 51 | 105.5 Ų | 105.5 | 42% | 0.421 | 56% | 0.559 | S | S | . | * | S | Bend | trans | -77.8 | 135.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | I46 L51 | I46-A49 PolarHBondContact O-N 3.43Å; A49-L51 PolarHBondContact O-N 2.05Å |
| 50 | P | 48 | Very low | 57 | Low | 91 Ų | 91 | 106.1 Ų | 106.1 | 59% | 0.591 | 56% | 0.564 | S | S | * | * | trans | -55 | 137.4 | 173.7 | 22.5 | -31.5 | 0 | 0 | 0 | 109.5 | S52 F53 | P50-S52 PolarHBondContact O-N 3.05Å; P50-F53 PolarHBondContact O-N 2.92Å | ||
| 51 | L | 51 | Low | 58.7 | Low | 160 Ų | 160 | 106.1 Ų | 106.1 | 84% | 0.838 | 56% | 0.561 | S | S | * | * | G | 310 helix | trans | -45.5 | -20.9 | 178.5 | -87.1 | 153.2 | 0 | 0 | 0 | 113.9 | A49 F53 | A49-L51 PolarHBondContact O-N 2.05Å; L51-F53 PolarHBondContact O-N 3.5Å |
| 52 | S | 54.7 | Low | 60.3 | Low | 103 Ų | 103 | 105.5 Ų | 105.5 | 72% | 0.72 | 55% | 0.55 | S | S | * | * | G | 310 helix | trans | -65 | -13.2 | 175.2 | 55 | 0 | 0 | 0 | 0 | 115.2 | P50 | P50-S52 PolarHBondContact O-N 3.05Š|
| 53 | F | 55.9 | Low | 62.3 | Low | 174 Ų | 174 | 109 Ų | 109 | 76% | 0.763 | 57% | 0.565 | S | S | * | * | G | 310 helix | trans | -118.3 | 40.8 | -179.5 | -131 | -92.3 | 0 | 0 | 0 | 112.9 | P50 L51 P55 | P50-F53 PolarHBondContact O-N 2.92Å; L51-F53 PolarHBondContact O-N 3.5Å; F53-P55 VanDerWaalsContact O-CD 3.31Å; F53-P55 WeakPolarHBondContact O-CD 3.28Å; F53-P55 VanDerWaalsContact O-N 3.13Å |
| 54 | M | 56.1 | Low | 64.3 | Low | 139 Ų | 139 | 104.9 Ų | 104.9 | 69% | 0.685 | 55% | 0.548 | S | S | * | . | trans | -56.2 | 120.2 | 169.2 | -72.2 | -174.9 | 82.4 | 0 | 0 | 109.2 | V56 | M54-V56 WeakPolarHBondContact O-CG2 3.47Å; M54-V56 PolarHBondContact O-N 2.81Å | ||
| 55 | P | 68.2 | Low | 66.2 | Low | 58 Ų | 58 | 102.9 Ų | 102.9 | 38% | 0.377 | 54% | 0.537 | S | S | . | . | trans | -65.2 | 113.1 | -178.2 | 2.9 | 2 | 0 | 0 | 0 | 109.2 | F53 L119 | F53-P55 VanDerWaalsContact O-CD 3.31Å; F53-P55 WeakPolarHBondContact O-CD 3.28Å; F53-P55 VanDerWaalsContact O-N 3.13Å; P55-L119 HydrophobicContact CB-CD1 3.78Å; P55-L119 HydrophobicContact CB-CD2 3.86Å; P55-L119 HydrophobicContact CB-CG 4.46Å; P55-L119 HydrophobicContact CG-CD1 4.47Å; P55-L119 HydrophobicContact CG-CD2 3.73Å; P55-L119 WeakPolarHBondContact O-CD2 3.48Å | ||
| 56 | V | 70.4 | Confident | 68.2 | Low | 92 Ų | 92 | 97.1 Ų | 97.1 | 56% | 0.558 | 51% | 0.513 | S | S | * | . | trans | -96.9 | 128.1 | 177.8 | -168.4 | 0 | 0 | 0 | 0 | 109.3 | M54 K58 | M54-V56 WeakPolarHBondContact O-CG2 3.47Å; M54-V56 PolarHBondContact O-N 2.81Å; V56-K58 HydrophobicContact CG1-CD 4.45Å; V56-K58 HydrophobicContact CG1-CG 3.98Å; V56-K58 PolarHBondContact O-N 2.87Å | ||
| 57 | C | 73.5 | Confident | 70.3 | Confident | 8 Ų | 8 | 100.7 Ų | 100.7 | 5% | 0.054 | 53% | 0.529 | C | S | . | . | trans | -78.3 | 108.2 | 173.4 | -175.6 | 0 | 0 | 0 | 0 | 109.3 | Q60 Y117 L119 C124 | C57-Q60 VanDerWaalsContact O-CG 3.22Å; C57-Q60 WeakPolarHBondContact O-CG 3.5Å; C57-Y117 WeakPolarHBondContact SG-CB 3.27Å; C57-L119 HydrophobicContact CB-CB 4.44Å; C57-C124 WeakPolarHBondContact CA-SG 3.33Å; C57-C124 HydrophobicContact CB-CB 3.79Å; C57-C124 WeakPolarHBondContact CB-SG 3.48Å; C57-C124 WeakPolarHBondContact SG-CB 3.48Å; C57-C124 CovalentContact SG-SG 2.03Å; C57-C124 PolarHBondContact SG-SG 3.45Å | ||
| 58 | K | 74.6 | Confident | 72.3 | Confident | 173 Ų | 173 | 102.2 Ų | 102.2 | 75% | 0.752 | 53% | 0.525 | S | S | * | . | S | Bend | trans | -131.4 | 132.5 | 176.8 | -70.9 | -172.4 | -180 | 177.7 | 0 | 110.8 | V56 | V56-K58 HydrophobicContact CG1-CD 4.45Å; V56-K58 HydrophobicContact CG1-CG 3.98Å; V56-K58 PolarHBondContact O-N 2.87Å |
| 59 | P | 75.6 | Confident | 74.3 | Confident | 77 Ų | 77 | 97.4 Ų | 97.4 | 50% | 0.5 | 51% | 0.505 | S | S | . | . | S | Bend | cis | -72.7 | 145.8 | -5.4 | 32.6 | -36.4 | 0 | 0 | 0 | 111.7 | Q61 I62 | P59-Q61 PolarHBondContact O-N 2.97Å; P59-I62 HydrophobicContact CB-CG1 4.33Å; P59-I62 HydrophobicContact CG-CD1 3.78Å; P59-I62 HydrophobicContact CG-CG1 3.46Å; P59-I62 VanDerWaalsContact CG-CG1 3.46Å |
| 60 | Q | 84.3 | Confident | 76.3 | Confident | 124 Ų | 124 | 96.9 Ų | 96.9 | 58% | 0.579 | 50% | 0.495 | S | S | * | . | S | Bend | trans | -70.2 | -22.6 | 175.2 | -70.1 | -177.5 | -15.8 | 0 | 0 | 112.3 | C57 H116 Y117 | C57-Q60 VanDerWaalsContact O-CG 3.22Å; C57-Q60 WeakPolarHBondContact O-CG 3.5Å; Q60-H116 CarbonylContact O-C 3.53Å; Q60-H116 VanDerWaalsContact O-CA 3.3Å; Q60-H116 WeakPolarHBondContact O-CA 3.4Å; Q60-Y117 PolarHBondContact O-N 3.2Å |
| 61 | Q | 86 | Confident | 78.3 | Confident | 87 Ų | 87 | 100.5 Ų | 100.5 | 41% | 0.407 | 50% | 0.497 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 140.9 | -177.8 | -55.4 | -172.8 | 9 | 0 | 0 | 109.2 | P59 V114 Y115 H116 | P59-Q61 PolarHBondContact O-N 2.97Å; Q61-V114 HydrophobicContact CB-CG1 4.09Å; Q61-Y115 CarbonylContact C-O 3.52Å; Q61-Y115 VanDerWaalsContact CA-O 3.3Å; Q61-Y115 WeakPolarHBondContact CA-O 3.2Å; Q61-H116 VanDerWaalsContact CD-CE1 3.45Å; Q61-H116 HydrophobicContact CG-CB 4.4Å; Q61-H116 WeakPolarHBondContact CG-ND1 3.49Å; Q61-H116 PolarHBondContact NE2-CE1 3.45Å; Q61-H116 PolarHBondContact NE2-ND1 3.5Å; Q61-H116 VanDerWaalsContact NE2-ND1 3.14Å |
| 62 | I | 86.2 | Confident | 80.1 | Confident | 41 Ų | 41 | 93.2 Ų | 93.2 | 21% | 0.21 | 46% | 0.459 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 136.9 | 172.4 | -52.6 | 168.8 | 0 | 0 | 0 | 108.5 | P59 V114 Y115 Y117 W163 | P59-I62 HydrophobicContact CB-CG1 4.33Å; P59-I62 HydrophobicContact CG-CD1 3.78Å; P59-I62 HydrophobicContact CG-CG1 3.46Å; P59-I62 VanDerWaalsContact CG-CG1 3.46Å; I62-V114 WeakPolarHBondContact O-CA 3.27Å; I62-Y115 PolarHBondContact N-O 3.42Å; I62-Y115 PolarHBondContact O-N 2.77Å; I62-Y117 HydrophobicContact CD1-CD2 4.34Å; I62-Y117 HydrophobicContact CD1-CE2 3.81Å; I62-Y117 HydrophobicContact CG1-CD2 4.48Å; I62-Y117 HydrophobicContact CG1-CE2 4.18Å; I62-W163 HydrophobicContact CB-CH2 3.16Å; I62-W163 HydrophobicContact CB-CZ2 3.36Å; I62-W163 HydrophobicContact CB-CZ3 3.87Å; I62-W163 HydrophobicContact CD1-CD2 4.08Å; I62-W163 HydrophobicContact CD1-CH2 3.92Å; I62-W163 HydrophobicContact CD1-CZ2 3.26Å; I62-W163 HydrophobicContact CD1-CZ3 4.46Å; I62-W163 HydrophobicContact CG1-CH2 4.1Å; I62-W163 HydrophobicContact CG1-CZ2 3.83Å; I62-W163 HydrophobicContact CG2-CE3 3.94Å; I62-W163 HydrophobicContact CG2-CH2 3.01Å; I62-W163 HydrophobicContact CG2-CZ2 3.63Å; I62-W163 HydrophobicContact CG2-CZ3 3.13Å |
| 63 | H | 88.6 | Confident | 81.7 | Confident | 94 Ų | 94 | 88.7 Ų | 88.7 | 44% | 0.435 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 126.4 | -172.4 | -63.2 | -93.1 | 0 | 0 | 0 | 109.6 | H112 K113 | H63-H112 WeakPolarHBondContact CB-NE2 3.09Å; H63-H112 AromaticContact CG-NE2 3.56Å; H63-H112 AromaticContact ND1-CE1 3.32Å; H63-H112 PolarHBondContact ND1-CE1 3.43Å; H63-H112 VanDerWaalsContact ND1-CE1 3.32Å; H63-H112 AromaticContact ND1-NE2 2.9Å; H63-H112 PolarHBondContact ND1-NE2 3.1Å; H63-K113 WeakPolarHBondContact CA-O 3.3Å |
| 64 | T | 88.9 | Confident | 83 | Confident | 34 Ų | 34 | 83.4 Ų | 83.4 | 21% | 0.209 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 147.1 | 170.7 | 73.7 | 0 | 0 | 0 | 0 | 111.3 | H112 K113 Y115 W163 | T64-H112 CarbonylContact O-C 3.56Å; T64-H112 WeakPolarHBondContact O-CA 3.17Å; T64-H112 PolarHBondContact O-CD2 3.14Å; T64-K113 PolarHBondContact N-O 3.45Å; T64-K113 PolarHBondContact O-N 3.4Å; T64-Y115 HydrophobicContact CG2-CD2 4.24Å; T64-Y115 HydrophobicContact CG2-CE2 3.79Å; T64-Y115 WeakPolarHBondContact OG1-CE2 3.48Å; T64-W163 HydrophobicContact CG2-CE3 4.43Å; T64-W163 HydrophobicContact CG2-CH2 3.86Å; T64-W163 HydrophobicContact CG2-CZ3 3.38Å |
| 65 | F | 88.8 | Confident | 84.3 | Confident | 109 Ų | 109 | 77.7 Ų | 77.7 | 48% | 0.478 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 136.2 | -179.1 | -65.5 | -79.7 | 0 | 0 | 0 | 109.2 | P109 H112 | F65-P109 HydrophobicContact CB-CB 3.77Å; F65-P109 HydrophobicContact CB-CG 3.89Å; F65-P109 HydrophobicContact CD1-CB 3.94Å; F65-P109 HydrophobicContact CD1-CG 4.06Å; F65-P109 HydrophobicContact CG-CB 4.26Å; F65-P109 HydrophobicContact CG-CG 4.19Å; F65-H112 HydrophobicContact CD1-CB 3.94Å; F65-H112 AromaticContact CD1-CD2 3.88Å; F65-H112 HydrophobicContact CE1-CB 3.87Å; F65-H112 AromaticContact CE1-CD2 3.42Å; F65-H112 VanDerWaalsContact CE1-CD2 3.42Å; F65-H112 WeakPolarHBondContact CE1-CD2 3.41Å; F65-H112 AromaticContact CE1-CG 3.63Å; F65-H112 AromaticContact CZ-CD2 3.67Å; F65-H112 AromaticContact CZ-NE2 3.9Å |
| 66 | S | 87.9 | Confident | 85.3 | Confident | 30 Ų | 30 | 79.5 Ų | 79.5 | 21% | 0.21 | 39% | 0.394 | C | S | . | . | trans | -66.5 | 144.6 | 175.1 | 62.4 | 0 | 0 | 0 | 0 | 111.2 | K68 S110 I111 | S66-K68 PolarHBondContact O-N 3.05Å; S66-K68 PolarHBondContact OG-O 2.78Å; S66-S110 PolarHBondContact OG-N 3.42Å; S66-S110 PolarHBondContact OG-OG 2.82Å; S66-S110 VanDerWaalsContact OG-OG 3.1Å; S66-I111 PolarHBondContact N-O 3.34Å; S66-I111 PolarHBondContact OG-N 3.11Å; S66-I111 PolarHBondContact OG-O 3.42Å | ||
| 67 | Q | 89.6 | Confident | 86.2 | Confident | 155 Ų | 155 | 80.1 Ų | 80.1 | 72% | 0.724 | 39% | 0.389 | S | S | * | . | S | Bend | trans | -62.6 | -32.5 | 168.9 | -62.9 | -179.9 | -3.3 | 0 | 0 | 112.2 | Q69 I167 | Q67-Q69 WeakPolarHBondContact O-CG 3.42Å; Q67-Q69 PolarHBondContact O-N 2.9Å; Q67-Q69 PolarHBondContact O-NE2 2.86Å; Q67-I167 PolarHBondContact NE2-O 3.08Å |
| 68 | K | 92.4 | Very high | 87.2 | Confident | 160 Ų | 160 | 81.7 Ų | 81.7 | 70% | 0.696 | 40% | 0.399 | S | S | * | . | trans | -60.8 | 126.8 | 174.4 | -175 | 176.7 | -176.8 | 175.6 | 0 | 110.4 | S66 S110 | S66-K68 PolarHBondContact O-N 3.05Å; S66-K68 PolarHBondContact OG-O 2.78Å; K68-S110 WeakPolarHBondContact CB-OG 3.22Å; K68-S110 VanDerWaalsContact O-CB 3.26Å; K68-S110 WeakPolarHBondContact O-CB 3.33Å; K68-S110 PolarHBondContact O-N 2.95Å; K68-S110 PolarHBondContact O-OG 2.86Å | ||
| 69 | Q | 92 | Very high | 88.1 | Confident | 86 Ų | 86 | 77.7 Ų | 77.7 | 40% | 0.402 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 149.9 | -178.1 | -54.5 | -64.6 | -46.1 | 0 | 0 | 111.8 | Q67 Y107 R108 | Q67-Q69 WeakPolarHBondContact O-CG 3.42Å; Q67-Q69 PolarHBondContact O-N 2.9Å; Q67-Q69 PolarHBondContact O-NE2 2.86Å; Q69-Y107 HydrophobicContact CB-CD1 4.28Å; Q69-R108 CarbonylContact C-O 3.53Å; Q69-R108 VanDerWaalsContact CA-O 3.27Å; Q69-R108 WeakPolarHBondContact CA-O 3.35Å; Q69-R108 VanDerWaalsContact OE1-CA 3.27Å; Q69-R108 PolarHBondContact OE1-O 3.47Å |
| 70 | I | 90 | Very high | 88.9 | Confident | 39 Ų | 39 | 81.9 Ų | 81.9 | 20% | 0.2 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 155.5 | 159.8 | 63.8 | 168.6 | 0 | 0 | 0 | 110 | C72 Y107 R108 A134 V144 | I70-C72 VanDerWaalsContact CD1-SG 3.52Å; I70-Y107 VanDerWaalsContact O-CA 3.28Å; I70-Y107 WeakPolarHBondContact O-CA 3.39Å; I70-R108 HydrophobicContact CG1-CB 4.37Å; I70-R108 WeakPolarHBondContact CG1-O 3.49Å; I70-R108 PolarHBondContact N-O 3.49Å; I70-R108 PolarHBondContact O-N 3.3Å; I70-A134 HydrophobicContact CD1-CB 3.46Å; I70-A134 VanDerWaalsContact CD1-CB 3.46Å; I70-A134 HydrophobicContact CG1-CB 4.16Å; I70-V144 HydrophobicContact CD1-CG1 4.34Å |
| 71 | R | 90.6 | Very high | 89.2 | Confident | 168 Ų | 168 | 80 Ų | 80 | 63% | 0.634 | 38% | 0.384 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 115.6 | 175.2 | -179.8 | -178 | 172.4 | -178.7 | 1.3 | 109.9 | P105 Y107 C136 | R71-P105 HydrophobicContact CG-CB 3.95Å; R71-Y107 HydrophobicContact CB-CD1 4.2Å; R71-Y107 HydrophobicContact CB-CE1 3.94Å; R71-Y107 HydrophobicContact CG-CE1 4.2Å; R71-C136 PolarHBondContact O-SG 2.98Å; R71-C136 VanDerWaalsContact O-SG 3.38Å |
| 72 | C | 88.4 | Confident | 89.2 | Confident | 6 Ų | 6 | 79.2 Ų | 79.2 | 4% | 0.041 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 163.7 | 171 | -57.4 | 0 | 0 | 0 | 0 | 110.2 | I70 P105 C106 C136 V144 | I70-C72 VanDerWaalsContact CD1-SG 3.52Å; C72-P105 CarbonylContact O-C 3.54Å; C72-P105 WeakPolarHBondContact O-CA 3.45Å; C72-C106 PolarHBondContact N-O 3.23Å; C72-C106 PolarHBondContact O-N 3.15Å; C72-C106 VanDerWaalsContact O-O 3.1Å; C72-C136 WeakPolarHBondContact CA-SG 3.46Å; C72-C136 HydrophobicContact CB-CB 3.83Å; C72-C136 WeakPolarHBondContact CB-SG 3.23Å; C72-C136 WeakPolarHBondContact SG-CB 3.38Å; C72-C136 CovalentContact SG-SG 2.04Å; C72-C136 PolarHBondContact SG-SG 3.49Å; C72-V144 HydrophobicContact CB-CG2 4.03Å; C72-V144 WeakPolarHBondContact SG-CG2 3.41Å |
| 73 | A | 87.5 | Confident | 89 | Confident | 9 Ų | 9 | 82.5 Ų | 82.5 | 7% | 0.074 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 148.5 | 165.7 | 0 | 0 | 0 | 0 | 0 | 107.8 | K104 T140 R141 R142 | A73-K104 WeakPolarHBondContact CA-O 3.49Å; A73-T140 WeakPolarHBondContact CB-O 3.22Å; A73-R141 PolarHBondContact N-O 3.46Å; A73-R142 HydrophobicContact CB-CG 4.16Å; A73-R142 WeakPolarHBondContact O-CA 3.25Å |
| 74 | C | 83 | Confident | 88.5 | Confident | 63 Ų | 63 | 81 Ų | 81 | 43% | 0.426 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 8 | 166.3 | 77.8 | 0 | 0 | 0 | 0 | 113.7 | K104 C106 | C74-K104 PolarHBondContact N-O 3.01Å; C74-C106 HydrophobicContact CB-CB 3.68Å; C74-C106 WeakPolarHBondContact CB-SG 3.44Å; C74-C106 PolarHBondContact N-SG 2.99Å; C74-C106 VanDerWaalsContact N-SG 3.42Å; C74-C106 WeakPolarHBondContact SG-CB 3.26Å; C74-C106 CovalentContact SG-SG 2Å; C74-C106 PolarHBondContact SG-SG 3.29Å |
| 75 | G | 84.7 | Confident | 87.6 | Confident | 18 Ų | 18 | 84.4 Ų | 84.4 | 19% | 0.186 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 179.3 | -171.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | K104 | G75-K104 PolarHBondContact O-N 2.03Å |
| 76 | I | 88 | Confident | 86.3 | Confident | 97 Ų | 97 | 85.8 Ų | 85.8 | 50% | 0.497 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 132.9 | 172.9 | -65.4 | 169.4 | 0 | 0 | 0 | 107 | C101 H102 R142 | I76-C101 HydrophobicContact CG2-CB 3.66Å; I76-H102 CarbonylContact C-O 3.53Å; I76-H102 WeakPolarHBondContact CA-O 3.46Å; I76-R142 VanDerWaalsContact CG1-NH2 3.26Å |
| 77 | K | 89.7 | Confident | 84.9 | Confident | 104 Ų | 104 | 88.6 Ų | 88.6 | 45% | 0.452 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 129.1 | 168.3 | -176.5 | 177.9 | -179.3 | -176.5 | 0 | 107.8 | C101 H102 | K77-C101 WeakPolarHBondContact O-CA 3.45Å; K77-H102 PolarHBondContact N-O 2.91Å; K77-H102 PolarHBondContact O-N 3.32Å; K77-H102 PolarHBondContact O-ND1 2.93Å |
| 78 | C | 94.3 | Very high | 83.2 | Confident | 41 Ų | 41 | 91.2 Ų | 91.2 | 28% | 0.277 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 144.9 | 177.4 | -57.5 | 0 | 0 | 0 | 0 | 110.1 | R99 V100 C101 | C78-R99 HydrophobicContact CB-CG 4.12Å; C78-V100 CarbonylContact C-O 3.54Å; C78-V100 VanDerWaalsContact CA-O 3.31Å; C78-V100 WeakPolarHBondContact CA-O 3.24Å; C78-C101 HydrophobicContact CB-CB 4.1Å; C78-C101 WeakPolarHBondContact CB-SG 3.22Å; C78-C101 WeakPolarHBondContact SG-CB 3.2Å; C78-C101 CovalentContact SG-SG 2.04Å; C78-C101 PolarHBondContact SG-SG 3.24Å |
| 79 | Q | 93.4 | Very high | 81.5 | Confident | 90 Ų | 90 | 90.9 Ų | 90.9 | 42% | 0.421 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 145.4 | 174.4 | -68.9 | 175.3 | -32.7 | 0 | 0 | 108.8 | V100 | Q79-V100 PolarHBondContact N-O 3.43Å; Q79-V100 PolarHBondContact O-N 2.83Å |
| 80 | Y | 92.9 | Very high | 79.6 | Confident | 165 Ų | 165 | 97.1 Ų | 97.1 | 65% | 0.647 | 49% | 0.487 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 123.2 | 170.2 | -73.6 | -82.3 | 0 | 0 | 0 | 108.5 | R99 | Y80-R99 HydrophobicContact CD1-CB 3.97Å; Y80-R99 HydrophobicContact CD1-CG 4.47Å; Y80-R99 HydrophobicContact CE1-CB 3.67Å; Y80-R99 HydrophobicContact CE1-CG 4.12Å |
| 81 | L | 89.5 | Confident | 77.9 | Confident | 83 Ų | 83 | 98.4 Ų | 98.4 | 44% | 0.435 | 51% | 0.51 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 116.8 | 173.3 | -65.4 | 178.7 | 0 | 0 | 0 | 107.9 | C97 R98 V100 | L81-C97 WeakPolarHBondContact O-CA 3.4Å; L81-R98 PolarHBondContact N-O 3.15Å; L81-R98 PolarHBondContact O-N 3.14Å; L81-V100 HydrophobicContact CB-CG2 4.48Å; L81-V100 HydrophobicContact CD1-CB 4.17Å; L81-V100 HydrophobicContact CD1-CG2 3.89Å; L81-V100 HydrophobicContact CG-CG2 4.36Å |
| 82 | C | 87.7 | Confident | 76.2 | Confident | 72 Ų | 72 | 99.4 Ų | 99.4 | 49% | 0.486 | 52% | 0.522 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 124.1 | 174.7 | -58.7 | 0 | 0 | 0 | 0 | 109.1 | T96 C97 | C82-T96 WeakPolarHBondContact CA-O 3.48Å; C82-C97 HydrophobicContact CB-CB 4.1Å; C82-C97 WeakPolarHBondContact CB-SG 3.32Å; C82-C97 WeakPolarHBondContact SG-CB 3.1Å; C82-C97 CovalentContact SG-SG 2.04Å; C82-C97 PolarHBondContact SG-SG 3.18Å |
| 83 | Q | 81.3 | Confident | 74.6 | Confident | 110 Ų | 110 | 107.2 Ų | 107.2 | 51% | 0.514 | 56% | 0.558 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -108.3 | 134.7 | 172.8 | -68.3 | 178.8 | -26.5 | 0 | 0 | 107.9 | K85 K95 T96 | Q83-K85 PolarHBondContact O-N 3.03Å; Q83-K95 WeakPolarHBondContact O-CA 3.46Å; Q83-T96 PolarHBondContact N-O 2.96Å; Q83-T96 PolarHBondContact O-N 3.12Å; Q83-T96 PolarHBondContact O-OG1 2.86Å |
| 84 | A | 78.7 | Confident | 73.6 | Confident | 63 Ų | 63 | 108.2 Ų | 108.2 | 52% | 0.521 | 57% | 0.569 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -66.5 | 128.2 | 168.5 | 0 | 0 | 0 | 0 | 0 | 107.9 | T86 | A84-T86 PolarHBondContact O-N 3.32Å |
| 85 | K | 68.3 | Low | 73.1 | Confident | 105 Ų | 105 | 112.8 Ų | 112.8 | 46% | 0.457 | 58% | 0.582 | S | S | . | * | trans | -60.3 | 123.3 | 169.6 | -81.2 | 175.8 | 169.5 | -174.9 | 0 | 108.4 | Q83 T87 G94 T96 | Q83-K85 PolarHBondContact O-N 3.03Å; K85-T87 VanDerWaalsContact C-N 3.28Å; K85-G94 VanDerWaalsContact CB-O 3.29Å; K85-G94 WeakPolarHBondContact CB-O 3.46Å; K85-G94 WeakPolarHBondContact CD-O 3.46Å; K85-G94 WeakPolarHBondContact CG-O 3.39Å; K85-G94 PolarHBondContact N-O 3.04Å; K85-T96 HydrophobicContact CD-CG2 4.04Å; K85-T96 HydrophobicContact CG-CG2 3.87Å | ||
| 86 | T | 62.5 | Low | 72.9 | Confident | 138 Ų | 138 | 115.1 Ų | 115.1 | 85% | 0.847 | 59% | 0.592 | S | S | * | * | trans | -79.7 | -13.7 | 174.2 | 46.9 | 0 | 0 | 0 | 0 | 112.4 | A84 K88 | A84-T86 PolarHBondContact O-N 3.32Å; T86-K88 PolarHBondContact O-N 3.35Å; T86-K88 VanDerWaalsContact O-N 3.08Å | ||
| 87 | T | 58.3 | Low | 72.8 | Confident | 88 Ų | 88 | 114 Ų | 114 | 54% | 0.54 | 59% | 0.592 | S | S | . | * | trans | -69.9 | 105.6 | 170.6 | 29.9 | 0 | 0 | 0 | 0 | 109.1 | K85 E89 | K85-T87 VanDerWaalsContact C-N 3.28Å; T87-E89 PolarHBondContact O-N 3.16Å | ||
| 88 | K | 54.7 | Low | 72.8 | Confident | 210 Ų | 210 | 116.2 Ų | 116.2 | 91% | 0.913 | 60% | 0.598 | S | S | * | * | trans | -66.8 | 50.6 | 168.6 | -65.5 | -178.1 | 177.2 | 179.5 | 0 | 111.1 | T86 K90 | T86-K88 PolarHBondContact O-N 3.35Å; T86-K88 VanDerWaalsContact O-N 3.08Å; K88-K90 PolarHBondContact O-N 3.25Å | ||
| 89 | E | 56.3 | Low | 72.7 | Confident | 154 Ų | 154 | 121.7 Ų | 121.7 | 72% | 0.72 | 61% | 0.613 | S | S | * | * | trans | -69 | 128.8 | 165.2 | -74.9 | -177.7 | 170.8 | 0 | 0 | 107.4 | T87 G91 | T87-E89 PolarHBondContact O-N 3.16Å; E89-G91 PolarHBondContact O-N 2.93Å; E89-G91 VanDerWaalsContact O-N 3.11Å | ||
| 90 | K | 52.4 | Low | 72.7 | Confident | 216 Ų | 216 | 119.9 Ų | 119.9 | 94% | 0.939 | 61% | 0.607 | S | S | * | * | S | Bend | trans | -55.6 | 112.3 | -171.4 | -66.6 | 171.3 | 173.8 | 177.1 | 0 | 110 | K88 | K88-K90 PolarHBondContact O-N 3.25Š|
| 91 | G | 53.8 | Low | 72.6 | Confident | 66 Ų | 66 | 115.2 Ų | 115.2 | 68% | 0.68 | 60% | 0.598 | S | S | * | * | S | Bend | trans | 111 | 115.5 | 173 | 0 | 0 | 0 | 0 | 0 | 112 | E89 | E89-G91 PolarHBondContact O-N 2.93Å; E89-G91 VanDerWaalsContact O-N 3.11Å |
| 92 | E | 53.9 | Low | 72.5 | Confident | 190 Ų | 190 | 115.2 Ų | 115.2 | 89% | 0.888 | 60% | 0.596 | S | S | * | * | trans | 49 | 114.4 | 179.7 | -78.6 | 179.4 | 137.3 | 0 | 0 | 115.7 | G94 | E92-G94 PolarHBondContact O-N 3.39Š| ||
| 93 | Q | 55.2 | Low | 72.5 | Confident | 170 Ų | 170 | 117.2 Ų | 117.2 | 79% | 0.794 | 60% | 0.598 | S | S | * | * | trans | -59.7 | 85.2 | 166 | -68.9 | 179.1 | -5.1 | 0 | 0 | 109.5 | K95 | Q93-K95 PolarHBondContact O-N 2.77Š| ||
| 94 | G | 66.2 | Low | 72.8 | Confident | 30 Ų | 30 | 117.5 Ų | 117.5 | 31% | 0.309 | 60% | 0.598 | S | S | . | * | trans | -61.6 | 113.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 108.4 | K85 E92 T96 | K85-G94 VanDerWaalsContact CB-O 3.29Å; K85-G94 WeakPolarHBondContact CB-O 3.46Å; K85-G94 WeakPolarHBondContact CD-O 3.46Å; K85-G94 WeakPolarHBondContact CG-O 3.39Å; K85-G94 PolarHBondContact N-O 3.04Å; E92-G94 PolarHBondContact O-N 3.39Å; G94-T96 PolarHBondContact O-N 2.89Å | ||
| 95 | K | 73.2 | Confident | 73.3 | Confident | 159 Ų | 159 | 116.9 Ų | 116.9 | 69% | 0.691 | 59% | 0.589 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -75.1 | 118.2 | 169.8 | -68.3 | 178.4 | -177.5 | 174 | 0 | 107.5 | Q83 Q93 | Q83-K95 WeakPolarHBondContact O-CA 3.46Å; Q93-K95 PolarHBondContact O-N 2.77Å |
| 96 | T | 80.2 | Confident | 74.3 | Confident | 67 Ų | 67 | 112.8 Ų | 112.8 | 41% | 0.411 | 57% | 0.573 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -87.7 | 113.4 | 168.7 | 47 | 0 | 0 | 0 | 0 | 108.5 | C82 Q83 K85 G94 | C82-T96 WeakPolarHBondContact CA-O 3.48Å; Q83-T96 PolarHBondContact N-O 2.96Å; Q83-T96 PolarHBondContact O-N 3.12Å; Q83-T96 PolarHBondContact O-OG1 2.86Å; K85-T96 HydrophobicContact CD-CG2 4.04Å; K85-T96 HydrophobicContact CG-CG2 3.87Å; G94-T96 PolarHBondContact O-N 2.89Å |
| 97 | C | 85.6 | Confident | 75.6 | Confident | 74 Ų | 74 | 113.1 Ų | 113.1 | 50% | 0.5 | 56% | 0.56 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -97.8 | 129.9 | 174.2 | -57.6 | 0 | 0 | 0 | 0 | 109.9 | L81 C82 | L81-C97 WeakPolarHBondContact O-CA 3.4Å; C82-C97 HydrophobicContact CB-CB 4.1Å; C82-C97 WeakPolarHBondContact CB-SG 3.32Å; C82-C97 WeakPolarHBondContact SG-CB 3.1Å; C82-C97 CovalentContact SG-SG 2.04Å; C82-C97 PolarHBondContact SG-SG 3.18Å |
| 98 | R | 89.4 | Confident | 77.1 | Confident | 150 Ų | 150 | 115.2 Ų | 115.2 | 57% | 0.566 | 56% | 0.557 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -123.1 | 143.6 | 170.7 | 63.4 | 177.4 | -178.7 | 175.7 | -0.9 | 110.7 | L81 V100 | L81-R98 PolarHBondContact N-O 3.15Å; L81-R98 PolarHBondContact O-N 3.14Å; R98-V100 HydrophobicContact CG-CG2 4Å; R98-V100 PolarHBondContact O-N 3.14Å |
| 99 | R | 92.8 | Very high | 78.8 | Confident | 156 Ų | 156 | 106.5 Ų | 106.5 | 59% | 0.589 | 52% | 0.523 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 115.9 | 172.7 | -170.6 | 177.8 | 177.8 | -179.4 | 0.2 | 108.8 | C78 Y80 | C78-R99 HydrophobicContact CB-CG 4.12Å; Y80-R99 HydrophobicContact CD1-CB 3.97Å; Y80-R99 HydrophobicContact CD1-CG 4.47Å; Y80-R99 HydrophobicContact CE1-CB 3.67Å; Y80-R99 HydrophobicContact CE1-CG 4.12Å |
| 100 | V | 93.2 | Very high | 80.6 | Confident | 51 Ų | 51 | 99.7 Ų | 99.7 | 31% | 0.309 | 49% | 0.492 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 123.4 | 175.9 | -177 | 0 | 0 | 0 | 0 | 108.7 | C78 Q79 L81 R98 | C78-V100 CarbonylContact C-O 3.54Å; C78-V100 VanDerWaalsContact CA-O 3.31Å; C78-V100 WeakPolarHBondContact CA-O 3.24Å; Q79-V100 PolarHBondContact N-O 3.43Å; Q79-V100 PolarHBondContact O-N 2.83Å; L81-V100 HydrophobicContact CB-CG2 4.48Å; L81-V100 HydrophobicContact CD1-CB 4.17Å; L81-V100 HydrophobicContact CD1-CG2 3.89Å; L81-V100 HydrophobicContact CG-CG2 4.36Å; R98-V100 HydrophobicContact CG-CG2 4Å; R98-V100 PolarHBondContact O-N 3.14Å |
| 101 | C | 91.6 | Very high | 82.5 | Confident | 68 Ų | 68 | 91.5 Ų | 91.5 | 46% | 0.459 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 136.3 | -179.5 | -64.8 | 0 | 0 | 0 | 0 | 110.1 | I76 K77 C78 | I76-C101 HydrophobicContact CG2-CB 3.66Å; K77-C101 WeakPolarHBondContact O-CA 3.45Å; C78-C101 HydrophobicContact CB-CB 4.1Å; C78-C101 WeakPolarHBondContact CB-SG 3.22Å; C78-C101 WeakPolarHBondContact SG-CB 3.2Å; C78-C101 CovalentContact SG-SG 2.04Å; C78-C101 PolarHBondContact SG-SG 3.24Å |
| 102 | H | 88 | Confident | 84.3 | Confident | 83 Ų | 83 | 89.5 Ų | 89.5 | 38% | 0.384 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 154.1 | 175.5 | 54.2 | -91.5 | 0 | 0 | 0 | 110.7 | I76 K77 K104 | I76-H102 CarbonylContact C-O 3.53Å; I76-H102 WeakPolarHBondContact CA-O 3.46Å; K77-H102 PolarHBondContact N-O 2.91Å; K77-H102 PolarHBondContact O-N 3.32Å; K77-H102 PolarHBondContact O-ND1 2.93Å; H102-K104 PolarHBondContact O-N 2.82Å |
| 103 | Q | 86.4 | Confident | 86.1 | Confident | 113 Ų | 113 | 83.8 Ų | 83.8 | 53% | 0.528 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 129.5 | 175.1 | -69.1 | -175 | -5.3 | 0 | 0 | 110 | P105 | Q103-P105 WeakPolarHBondContact O-CD 3.38Å |
| 104 | K | 88.1 | Confident | 87.8 | Confident | 116 Ų | 116 | 75.9 Ų | 75.9 | 50% | 0.504 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 117.8 | 175 | -176.3 | 179.9 | 176.3 | -176.3 | 0 | 109 | A73 C74 G75 H102 | A73-K104 WeakPolarHBondContact CA-O 3.49Å; C74-K104 PolarHBondContact N-O 3.01Å; G75-K104 PolarHBondContact O-N 2.03Å; H102-K104 PolarHBondContact O-N 2.82Å |
| 105 | P | 89.1 | Confident | 88.9 | Confident | 51 Ų | 51 | 75.8 Ų | 75.8 | 33% | 0.331 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 146.3 | 174.3 | 33.8 | -34.9 | 0 | 0 | 0 | 110.7 | R71 C72 Q103 | R71-P105 HydrophobicContact CG-CB 3.95Å; C72-P105 CarbonylContact O-C 3.54Å; C72-P105 WeakPolarHBondContact O-CA 3.45Å; Q103-P105 WeakPolarHBondContact O-CD 3.38Å |
| 106 | C | 89.1 | Confident | 89.7 | Confident | 18 Ų | 18 | 69.2 Ų | 69.2 | 12% | 0.122 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 143.8 | -178.7 | -45.4 | 0 | 0 | 0 | 0 | 108.4 | C72 C74 | C72-C106 PolarHBondContact N-O 3.23Å; C72-C106 PolarHBondContact O-N 3.15Å; C72-C106 VanDerWaalsContact O-O 3.1Å; C74-C106 HydrophobicContact CB-CB 3.68Å; C74-C106 WeakPolarHBondContact CB-SG 3.44Å; C74-C106 PolarHBondContact N-SG 2.99Å; C74-C106 VanDerWaalsContact N-SG 3.42Å; C74-C106 WeakPolarHBondContact SG-CB 3.26Å; C74-C106 CovalentContact SG-SG 2Å; C74-C106 PolarHBondContact SG-SG 3.29Å |
| 107 | Y | 90.7 | Very high | 89.9 | Confident | 146 Ų | 146 | 67.5 Ų | 67.5 | 57% | 0.573 | 32% | 0.315 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 132.9 | -177 | -63.5 | -81.7 | 0 | 0 | 0 | 109.7 | Q69 I70 R71 | Q69-Y107 HydrophobicContact CB-CD1 4.28Å; I70-Y107 VanDerWaalsContact O-CA 3.28Å; I70-Y107 WeakPolarHBondContact O-CA 3.39Å; R71-Y107 HydrophobicContact CB-CD1 4.2Å; R71-Y107 HydrophobicContact CB-CE1 3.94Å; R71-Y107 HydrophobicContact CG-CE1 4.2Å |
| 108 | R | 88.6 | Confident | 89.8 | Confident | 131 Ų | 131 | 66.3 Ų | 66.3 | 49% | 0.494 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 148.9 | 179.6 | -64.4 | -65.2 | -168 | -172.5 | 2.6 | 110.4 | Q69 I70 S110 V144 | Q69-R108 CarbonylContact C-O 3.53Å; Q69-R108 VanDerWaalsContact CA-O 3.27Å; Q69-R108 WeakPolarHBondContact CA-O 3.35Å; Q69-R108 VanDerWaalsContact OE1-CA 3.27Å; Q69-R108 PolarHBondContact OE1-O 3.47Å; I70-R108 HydrophobicContact CG1-CB 4.37Å; I70-R108 WeakPolarHBondContact CG1-O 3.49Å; I70-R108 PolarHBondContact N-O 3.49Å; I70-R108 PolarHBondContact O-N 3.3Å; R108-S110 PolarHBondContact O-N 3.3Å; R108-V144 HydrophobicContact CB-CG1 4.45Å; R108-V144 HydrophobicContact CB-CG2 3.98Å; R108-V144 HydrophobicContact CG-CB 4.5Å; R108-V144 HydrophobicContact CG-CG2 3.67Å |
| 109 | P | 92 | Very high | 89.3 | Confident | 28 Ų | 28 | 62.4 Ų | 62.4 | 18% | 0.182 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.5 | 127.7 | -178.4 | -25.9 | 34.4 | 0 | 0 | 0 | 111.8 | F65 I111 A134 Y146 | F65-P109 HydrophobicContact CB-CB 3.77Å; F65-P109 HydrophobicContact CB-CG 3.89Å; F65-P109 HydrophobicContact CD1-CB 3.94Å; F65-P109 HydrophobicContact CD1-CG 4.06Å; F65-P109 HydrophobicContact CG-CB 4.26Å; F65-P109 HydrophobicContact CG-CG 4.19Å; P109-I111 VanDerWaalsContact C-N 3.31Å; P109-I111 PolarHBondContact O-N 3.07Å; P109-A134 VanDerWaalsContact O-CB 3.27Å; P109-A134 WeakPolarHBondContact O-CB 3.49Å; P109-Y146 WeakPolarHBondContact O-CE1 3.47Å; P109-Y146 PolarHBondContact O-OH 3.36Å |
| 110 | S | 92.7 | Very high | 88.5 | Confident | 11 Ų | 11 | 56.8 Ų | 56.8 | 8% | 0.077 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -69.4 | -29.8 | -175.5 | 65.6 | 0 | 0 | 0 | 0 | 113.5 | S66 K68 R108 A134 | S66-S110 PolarHBondContact OG-N 3.42Å; S66-S110 PolarHBondContact OG-OG 2.82Å; S66-S110 VanDerWaalsContact OG-OG 3.1Å; K68-S110 WeakPolarHBondContact CB-OG 3.22Å; K68-S110 VanDerWaalsContact O-CB 3.26Å; K68-S110 WeakPolarHBondContact O-CB 3.33Å; K68-S110 PolarHBondContact O-N 2.95Å; K68-S110 PolarHBondContact O-OG 2.86Å; R108-S110 PolarHBondContact O-N 3.3Å; S110-A134 WeakPolarHBondContact O-CB 3.2Å; S110-A134 PolarHBondContact O-N 3.47Å |
| 111 | I | 92.9 | Very high | 87.5 | Confident | 43 Ų | 43 | 55.6 Ų | 55.6 | 22% | 0.221 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 137.3 | -177.8 | -56.8 | 175.6 | 0 | 0 | 0 | 108.6 | S66 P109 K113 T131 Y132 | S66-I111 PolarHBondContact N-O 3.34Å; S66-I111 PolarHBondContact OG-N 3.11Å; S66-I111 PolarHBondContact OG-O 3.42Å; P109-I111 VanDerWaalsContact C-N 3.31Å; P109-I111 PolarHBondContact O-N 3.07Å; I111-K113 HydrophobicContact CG2-CG 4.14Å; I111-T131 HydrophobicContact CG2-CG2 3.47Å; I111-T131 VanDerWaalsContact CG2-CG2 3.47Å; I111-Y132 WeakPolarHBondContact CA-O 3.34Å |
| 112 | H | 91.3 | Very high | 86.7 | Confident | 24 Ų | 24 | 54 Ų | 54 | 11% | 0.111 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 123.8 | 170.5 | 170.2 | -141.8 | 0 | 0 | 0 | 107.7 | H63 T64 F65 Y132 Y146 | H63-H112 WeakPolarHBondContact CB-NE2 3.09Å; H63-H112 AromaticContact CG-NE2 3.56Å; H63-H112 AromaticContact ND1-CE1 3.32Å; H63-H112 PolarHBondContact ND1-CE1 3.43Å; H63-H112 VanDerWaalsContact ND1-CE1 3.32Å; H63-H112 AromaticContact ND1-NE2 2.9Å; H63-H112 PolarHBondContact ND1-NE2 3.1Å; T64-H112 CarbonylContact O-C 3.56Å; T64-H112 WeakPolarHBondContact O-CA 3.17Å; T64-H112 PolarHBondContact O-CD2 3.14Å; F65-H112 HydrophobicContact CD1-CB 3.94Å; F65-H112 AromaticContact CD1-CD2 3.88Å; F65-H112 HydrophobicContact CE1-CB 3.87Å; F65-H112 AromaticContact CE1-CD2 3.42Å; F65-H112 VanDerWaalsContact CE1-CD2 3.42Å; F65-H112 WeakPolarHBondContact CE1-CD2 3.41Å; F65-H112 AromaticContact CE1-CG 3.63Å; F65-H112 AromaticContact CZ-CD2 3.67Å; F65-H112 AromaticContact CZ-NE2 3.9Å; H112-Y132 PolarHBondContact N-O 3.38Å; H112-Y132 WeakPolarHBondContact O-CB 3.41Å; H112-Y132 PolarHBondContact O-N 3.26Å; H112-Y146 HydrophobicContact CB-CD1 3.48Å; H112-Y146 VanDerWaalsContact CB-CD1 3.48Å; H112-Y146 HydrophobicContact CB-CE1 3.44Å; H112-Y146 VanDerWaalsContact CB-CE1 3.44Å; H112-Y146 HydrophobicContact CB-CG 4.17Å |
| 113 | K | 92.1 | Very high | 86.1 | Confident | 70 Ų | 70 | 53.8 Ų | 53.8 | 30% | 0.304 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 134.3 | 176.2 | -68.4 | -179.3 | -178.7 | 173.8 | 0 | 109.3 | H63 T64 I111 Y115 V129 C130 T131 | H63-K113 WeakPolarHBondContact CA-O 3.3Å; T64-K113 PolarHBondContact N-O 3.45Å; T64-K113 PolarHBondContact O-N 3.4Å; I111-K113 HydrophobicContact CG2-CG 4.14Å; K113-Y115 HydrophobicContact CB-CD2 4.28Å; K113-Y115 HydrophobicContact CB-CE2 3.55Å; K113-Y115 HydrophobicContact CD-CE2 4.3Å; K113-Y115 WeakPolarHBondContact CD-OH 3.3Å; K113-V129 HydrophobicContact CB-CG1 4.42Å; K113-C130 CarbonylContact C-O 3.48Å; K113-C130 WeakPolarHBondContact CA-O 3.39Å; K113-T131 HydrophobicContact CG-CG2 4.13Å |
| 114 | V | 90.6 | Very high | 85.6 | Confident | 5 Ų | 5 | 51.2 Ų | 51.2 | 3% | 0.03 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 115.8 | 174.7 | -170.8 | 0 | 0 | 0 | 0 | 107.4 | Q61 I62 H116 V129 C130 Y132 | Q61-V114 HydrophobicContact CB-CG1 4.09Å; I62-V114 WeakPolarHBondContact O-CA 3.27Å; V114-H116 WeakPolarHBondContact CG1-NE2 3.27Å; V114-H116 PolarHBondContact O-CD2 3.5Å; V114-V129 WeakPolarHBondContact O-CA 3.22Å; V114-C130 PolarHBondContact N-O 2.92Å; V114-C130 PolarHBondContact O-N 3.4Å; V114-Y132 HydrophobicContact CB-CE2 4.22Å; V114-Y132 HydrophobicContact CG2-CD2 4.08Å; V114-Y132 HydrophobicContact CG2-CE2 3.67Å |
| 115 | Y | 89.3 | Confident | 85.2 | Confident | 28 Ų | 28 | 47.7 Ų | 47.7 | 11% | 0.11 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 116.2 | 177.2 | -61 | -104.1 | 0 | 0 | 0 | 106.1 | Q61 I62 T64 K113 M126 V129 W163 | Q61-Y115 CarbonylContact C-O 3.52Å; Q61-Y115 VanDerWaalsContact CA-O 3.3Å; Q61-Y115 WeakPolarHBondContact CA-O 3.2Å; I62-Y115 PolarHBondContact N-O 3.42Å; I62-Y115 PolarHBondContact O-N 2.77Å; T64-Y115 HydrophobicContact CG2-CD2 4.24Å; T64-Y115 HydrophobicContact CG2-CE2 3.79Å; T64-Y115 WeakPolarHBondContact OG1-CE2 3.48Å; K113-Y115 HydrophobicContact CB-CD2 4.28Å; K113-Y115 HydrophobicContact CB-CE2 3.55Å; K113-Y115 HydrophobicContact CD-CE2 4.3Å; K113-Y115 WeakPolarHBondContact CD-OH 3.3Å; Y115-M126 HydrophobicContact CD1-SD 3.57Å; Y115-M126 VanDerWaalsContact CD1-SD 3.57Å; Y115-M126 HydrophobicContact CE1-SD 4.39Å; Y115-M126 HydrophobicContact CG-SD 4.47Å; Y115-V129 HydrophobicContact CD1-CB 4.25Å; Y115-V129 HydrophobicContact CD1-CG1 3.82Å; Y115-V129 HydrophobicContact CD1-CG2 3.43Å; Y115-V129 VanDerWaalsContact CD1-CG2 3.43Å; Y115-V129 HydrophobicContact CD2-CG1 4.49Å; Y115-V129 HydrophobicContact CE1-CB 4.43Å; Y115-V129 HydrophobicContact CE1-CG1 3.72Å; Y115-V129 HydrophobicContact CE1-CG2 3.77Å; Y115-V129 HydrophobicContact CE2-CG1 4.36Å; Y115-V129 HydrophobicContact CG-CG1 4.23Å; Y115-V129 HydrophobicContact CG-CG2 4.27Å; Y115-W163 AromaticContact CD2-CH2 3.64Å; Y115-W163 HydrophobicContact CD2-CH2 3.64Å; Y115-W163 HydrophobicContact CD2-CZ2 4.21Å; Y115-W163 HydrophobicContact CE2-CH2 4.26Å; Y115-W163 AromaticContact CG-CH2 3.87Å; Y115-W163 HydrophobicContact CG-CH2 3.87Å; Y115-W163 AromaticContact CG-CZ2 3.95Å; Y115-W163 HydrophobicContact CG-CZ2 3.95Å |
| 116 | H | 89.2 | Confident | 84.9 | Confident | 21 Ų | 21 | 45.7 Ų | 45.7 | 10% | 0.097 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 144.8 | 178.8 | -48.7 | -117.2 | 0 | 0 | 0 | 110.2 | Q60 Q61 V114 M126 W127 N128 | Q60-H116 CarbonylContact O-C 3.53Å; Q60-H116 VanDerWaalsContact O-CA 3.3Å; Q60-H116 WeakPolarHBondContact O-CA 3.4Å; Q61-H116 VanDerWaalsContact CD-CE1 3.45Å; Q61-H116 HydrophobicContact CG-CB 4.4Å; Q61-H116 WeakPolarHBondContact CG-ND1 3.49Å; Q61-H116 PolarHBondContact NE2-CE1 3.45Å; Q61-H116 PolarHBondContact NE2-ND1 3.5Å; Q61-H116 VanDerWaalsContact NE2-ND1 3.14Å; V114-H116 WeakPolarHBondContact CG1-NE2 3.27Å; V114-H116 PolarHBondContact O-CD2 3.5Å; H116-M126 CarbonylContact O-C 3.46Å; H116-M126 WeakPolarHBondContact O-CA 3.16Å; H116-W127 VanDerWaalsContact CB-CD1 3.48Å; H116-W127 HydrophobicContact CB-CD2 4.35Å; H116-W127 VanDerWaalsContact CB-CE2 3.49Å; H116-W127 HydrophobicContact CB-CG 4.32Å; H116-W127 HydrophobicContact CB-CZ2 4.01Å; H116-W127 AromaticContact CG-NE1 3.88Å; H116-W127 VanDerWaalsContact O-CD1 3.27Å; H116-W127 PolarHBondContact O-N 3.47Å; H116-N128 WeakPolarHBondContact CB-OD1 3.4Å; H116-N128 PolarHBondContact CD2-OD1 3.48Å; H116-N128 PolarHBondContact N-O 3.28Å |
| 117 | Y | 85.7 | Confident | 84.6 | Confident | 30 Ų | 30 | 50.1 Ų | 50.1 | 12% | 0.118 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 141.2 | -176.4 | -65.6 | -100.2 | 0 | 0 | 0 | 109.8 | C57 Q60 I62 R125 M126 W163 | C57-Y117 WeakPolarHBondContact SG-CB 3.27Å; Q60-Y117 PolarHBondContact O-N 3.2Å; I62-Y117 HydrophobicContact CD1-CD2 4.34Å; I62-Y117 HydrophobicContact CD1-CE2 3.81Å; I62-Y117 HydrophobicContact CG1-CD2 4.48Å; I62-Y117 HydrophobicContact CG1-CE2 4.18Å; Y117-R125 WeakPolarHBondContact CA-O 3.33Å; Y117-M126 HydrophobicContact CD1-CB 4Å; Y117-M126 HydrophobicContact CE1-CB 3.59Å; Y117-M126 HydrophobicContact CE1-CG 4.25Å; Y117-W163 AromaticContact CE2-CZ2 3.81Å; Y117-W163 HydrophobicContact CE2-CZ2 3.81Å; Y117-W163 AromaticContact CZ-CZ2 3.9Å; Y117-W163 AromaticContact CZ-NE1 3.54Å; Y117-W163 VanDerWaalsContact OH-CE2 3.25Å; Y117-W163 VanDerWaalsContact OH-CZ2 3.22Å; Y117-W163 WeakPolarHBondContact OH-CZ2 3.42Å; Y117-W163 PolarHBondContact OH-NE1 3.15Å |
| 118 | S | 82.9 | Confident | 84.4 | Confident | 50 Ų | 50 | 43.5 Ų | 43.5 | 35% | 0.35 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 150.6 | 175.8 | 63.7 | 0 | 0 | 0 | 0 | 109.2 | A120 R125 | S118-A120 PolarHBondContact O-N 3.19Å; S118-R125 PolarHBondContact N-O 3.03Å; S118-R125 PolarHBondContact O-N 3.46Å; S118-R125 VanDerWaalsContact O-O 3.12Å |
| 119 | L | 79.2 | Confident | 84.4 | Confident | 67 Ų | 67 | 38.2 Ų | 38.2 | 35% | 0.351 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 128.3 | 171.4 | -163.5 | 84.1 | 0 | 0 | 0 | 109.7 | P55 C57 L123 | P55-L119 HydrophobicContact CB-CD1 3.78Å; P55-L119 HydrophobicContact CB-CD2 3.86Å; P55-L119 HydrophobicContact CB-CG 4.46Å; P55-L119 HydrophobicContact CG-CD1 4.47Å; P55-L119 HydrophobicContact CG-CD2 3.73Å; P55-L119 WeakPolarHBondContact O-CD2 3.48Å; C57-L119 HydrophobicContact CB-CB 4.44Å; L119-L123 WeakPolarHBondContact CA-O 3.15Å |
| 120 | A | 75.7 | Confident | 84.5 | Confident | 38 Ų | 38 | 37.4 Ų | 37.4 | 31% | 0.314 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 117.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | S118 L123 | S118-A120 PolarHBondContact O-N 3.19Å; A120-L123 PolarHBondContact N-O 3.31Å; A120-L123 PolarHBondContact O-N 2.98Å |
| 121 | G | 72 | Confident | 84.5 | Confident | 27 Ų | 27 | 38 Ų | 38 | 28% | 0.278 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.7 | 46.5 | -175.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | L123 | G121-L123 PolarHBondContact O-N 3.34Š|
| 122 | G | 74.8 | Confident | 84.7 | Confident | 33 Ų | 33 | 38.7 Ų | 38.7 | 34% | 0.34 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 73.1 | -9.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 123 | L | 75.4 | Confident | 84.8 | Confident | 80 Ų | 80 | 41.2 Ų | 41.2 | 42% | 0.419 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 138.7 | -177.4 | -64.5 | 172 | 0 | 0 | 0 | 112 | L119 A120 G121 R125 | L119-L123 WeakPolarHBondContact CA-O 3.15Å; A120-L123 PolarHBondContact N-O 3.31Å; A120-L123 PolarHBondContact O-N 2.98Å; G121-L123 PolarHBondContact O-N 3.34Å; L123-R125 HydrophobicContact CB-CG 4.11Å; L123-R125 PolarHBondContact O-N 2.81Å; L123-R125 VanDerWaalsContact O-N 3.12Å |
| 124 | C | 76.1 | Confident | 84.8 | Confident | 59 Ų | 59 | 38.4 Ų | 38.4 | 40% | 0.399 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 97.8 | 173.8 | -177 | 0 | 0 | 0 | 0 | 108.8 | C57 | C57-C124 WeakPolarHBondContact CA-SG 3.33Å; C57-C124 HydrophobicContact CB-CB 3.79Å; C57-C124 WeakPolarHBondContact CB-SG 3.48Å; C57-C124 WeakPolarHBondContact SG-CB 3.48Å; C57-C124 CovalentContact SG-SG 2.03Å; C57-C124 PolarHBondContact SG-SG 3.45Å |
| 125 | R | 80 | Confident | 84.9 | Confident | 41 Ų | 41 | 43.5 Ų | 43.5 | 16% | 0.155 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 143.5 | -174.4 | -67.3 | -179.1 | 177 | -178.7 | -3 | 109.9 | Y117 S118 L123 W127 | Y117-R125 WeakPolarHBondContact CA-O 3.33Å; S118-R125 PolarHBondContact N-O 3.03Å; S118-R125 PolarHBondContact O-N 3.46Å; S118-R125 VanDerWaalsContact O-O 3.12Å; L123-R125 HydrophobicContact CB-CG 4.11Å; L123-R125 PolarHBondContact O-N 2.81Å; L123-R125 VanDerWaalsContact O-N 3.12Å; R125-W127 PolarHBondContact O-N 2.71Å |
| 126 | M | 82.3 | Confident | 84.9 | Confident | 10 Ų | 10 | 43.9 Ų | 43.9 | 5% | 0.049 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.4 | 127.3 | 171.6 | -171.3 | 174.3 | 67.6 | 0 | 0 | 109.3 | Y115 H116 Y117 V129 A154 Q158 R159 | Y115-M126 HydrophobicContact CD1-SD 3.57Å; Y115-M126 VanDerWaalsContact CD1-SD 3.57Å; Y115-M126 HydrophobicContact CE1-SD 4.39Å; Y115-M126 HydrophobicContact CG-SD 4.47Å; H116-M126 CarbonylContact O-C 3.46Å; H116-M126 WeakPolarHBondContact O-CA 3.16Å; Y117-M126 HydrophobicContact CD1-CB 4Å; Y117-M126 HydrophobicContact CE1-CB 3.59Å; Y117-M126 HydrophobicContact CE1-CG 4.25Å; M126-V129 HydrophobicContact CE-CG2 4Å; M126-V129 HydrophobicContact CG-CG2 4.38Å; M126-V129 HydrophobicContact SD-CG2 3.57Å; M126-V129 VanDerWaalsContact SD-CG2 3.57Å; M126-A154 HydrophobicContact CB-CB 4.13Å; M126-A154 HydrophobicContact CE-CB 3.45Å; M126-A154 VanDerWaalsContact CE-CB 3.45Å; M126-A154 HydrophobicContact CG-CB 3.85Å; M126-A154 VanDerWaalsContact O-CB 3.29Å; M126-A154 WeakPolarHBondContact O-CB 3.19Å; M126-A154 HydrophobicContact SD-CB 4.37Å; M126-Q158 HydrophobicContact CE-CB 3.65Å; M126-Q158 WeakPolarHBondContact CE-O 3.49Å; M126-R159 WeakPolarHBondContact O-CG 3.41Å |
| 127 | W | 82.7 | Confident | 84.8 | Confident | 111 Ų | 111 | 46.3 Ų | 46.3 | 42% | 0.42 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | -37.7 | -178.6 | 77.4 | -101.8 | 0 | 0 | 0 | 112.3 | H116 R125 R153 A154 | H116-W127 VanDerWaalsContact CB-CD1 3.48Å; H116-W127 HydrophobicContact CB-CD2 4.35Å; H116-W127 VanDerWaalsContact CB-CE2 3.49Å; H116-W127 HydrophobicContact CB-CG 4.32Å; H116-W127 HydrophobicContact CB-CZ2 4.01Å; H116-W127 AromaticContact CG-NE1 3.88Å; H116-W127 VanDerWaalsContact O-CD1 3.27Å; H116-W127 PolarHBondContact O-N 3.47Å; R125-W127 PolarHBondContact O-N 2.71Å; W127-R153 CarbonylContact O-C 3.56Å; W127-R153 WeakPolarHBondContact O-CA 3.29Å; W127-R153 WeakPolarHBondContact O-CG 3.18Å; W127-A154 PolarHBondContact O-N 3.31Å |
| 128 | N | 87.2 | Confident | 84.5 | Confident | 6 Ų | 6 | 47 Ų | 47 | 3% | 0.032 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 168.9 | 173.3 | 70.3 | -10.1 | 0 | 0 | 0 | 111.8 | H116 C130 C151 R152 | H116-N128 WeakPolarHBondContact CB-OD1 3.4Å; H116-N128 PolarHBondContact CD2-OD1 3.48Å; H116-N128 PolarHBondContact N-O 3.28Å; N128-C130 PolarHBondContact ND2-SG 2.86Å; N128-C130 VanDerWaalsContact ND2-SG 3.43Å; N128-C151 PolarHBondContact ND2-SG 2.92Å; N128-R152 CarbonylContact C-O 3.6Å; N128-R152 WeakPolarHBondContact CA-O 3.47Å; N128-R152 VanDerWaalsContact CB-O 3.27Å; N128-R152 WeakPolarHBondContact CB-O 3.31Å |
| 129 | V | 88.4 | Confident | 84.2 | Confident | 21 Ų | 21 | 55.2 Ų | 55.2 | 13% | 0.127 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 116.6 | 168 | -173.2 | 0 | 0 | 0 | 0 | 107.5 | K113 V114 Y115 M126 C151 R152 | K113-V129 HydrophobicContact CB-CG1 4.42Å; V114-V129 WeakPolarHBondContact O-CA 3.22Å; Y115-V129 HydrophobicContact CD1-CB 4.25Å; Y115-V129 HydrophobicContact CD1-CG1 3.82Å; Y115-V129 HydrophobicContact CD1-CG2 3.43Å; Y115-V129 VanDerWaalsContact CD1-CG2 3.43Å; Y115-V129 HydrophobicContact CD2-CG1 4.49Å; Y115-V129 HydrophobicContact CE1-CB 4.43Å; Y115-V129 HydrophobicContact CE1-CG1 3.72Å; Y115-V129 HydrophobicContact CE1-CG2 3.77Å; Y115-V129 HydrophobicContact CE2-CG1 4.36Å; Y115-V129 HydrophobicContact CG-CG1 4.23Å; Y115-V129 HydrophobicContact CG-CG2 4.27Å; M126-V129 HydrophobicContact CE-CG2 4Å; M126-V129 HydrophobicContact CG-CG2 4.38Å; M126-V129 HydrophobicContact SD-CG2 3.57Å; M126-V129 VanDerWaalsContact SD-CG2 3.57Å; V129-C151 WeakPolarHBondContact O-CA 3.44Å; V129-R152 PolarHBondContact N-O 3.48Å; V129-R152 PolarHBondContact O-N 2.85Å |
| 130 | C | 93.1 | Very high | 83.9 | Confident | 10 Ų | 10 | 54.6 Ų | 54.6 | 7% | 0.068 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 130.6 | 171.8 | -61.8 | 0 | 0 | 0 | 0 | 109.3 | K113 V114 N128 Y132 L148 S150 C151 | K113-C130 CarbonylContact C-O 3.48Å; K113-C130 WeakPolarHBondContact CA-O 3.39Å; V114-C130 PolarHBondContact N-O 2.92Å; V114-C130 PolarHBondContact O-N 3.4Å; N128-C130 PolarHBondContact ND2-SG 2.86Å; N128-C130 VanDerWaalsContact ND2-SG 3.43Å; C130-Y132 HydrophobicContact CB-CE2 3.68Å; C130-L148 HydrophobicContact CB-CD1 3.95Å; C130-S150 CarbonylContact C-O 3.56Å; C130-S150 WeakPolarHBondContact CA-O 3.44Å; C130-C151 WeakPolarHBondContact CA-SG 3.45Å; C130-C151 HydrophobicContact CB-CB 3.86Å; C130-C151 WeakPolarHBondContact CB-SG 3.24Å; C130-C151 WeakPolarHBondContact SG-CB 3.48Å; C130-C151 CovalentContact SG-SG 2.05Å; C130-C151 PolarHBondContact SG-SG 2.87Å |
| 131 | T | 94 | Very high | 83.7 | Confident | 24 Ų | 24 | 60.9 Ų | 60.9 | 15% | 0.147 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 132.8 | 177.7 | -57.2 | 0 | 0 | 0 | 0 | 109 | I111 K113 S149 S150 | I111-T131 HydrophobicContact CG2-CG2 3.47Å; I111-T131 VanDerWaalsContact CG2-CG2 3.47Å; K113-T131 HydrophobicContact CG-CG2 4.13Å; T131-S149 WeakPolarHBondContact O-CA 3.48Å; T131-S149 VanDerWaalsContact O-CB 3.24Å; T131-S149 WeakPolarHBondContact O-CB 3.43Å; T131-S149 PolarHBondContact O-N 3.35Å; T131-S150 PolarHBondContact N-O 3.43Å; T131-S150 PolarHBondContact O-N 3.03Å |
| 132 | Y | 96.2 | Very high | 83.7 | Confident | 58 Ų | 58 | 64 Ų | 64 | 23% | 0.227 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 138.8 | 179 | -59.8 | -103.2 | 0 | 0 | 0 | 110.1 | I111 H112 V114 C130 H147 L148 | I111-Y132 WeakPolarHBondContact CA-O 3.34Å; H112-Y132 PolarHBondContact N-O 3.38Å; H112-Y132 WeakPolarHBondContact O-CB 3.41Å; H112-Y132 PolarHBondContact O-N 3.26Å; V114-Y132 HydrophobicContact CB-CE2 4.22Å; V114-Y132 HydrophobicContact CG2-CD2 4.08Å; V114-Y132 HydrophobicContact CG2-CE2 3.67Å; C130-Y132 HydrophobicContact CB-CE2 3.68Å; Y132-H147 CarbonylContact C-O 3.56Å; Y132-H147 WeakPolarHBondContact CA-O 3.46Å; Y132-L148 VanDerWaalsContact CD1-CA 3.48Å; Y132-L148 HydrophobicContact CD1-CB 3.98Å; Y132-L148 HydrophobicContact CD1-CD1 4.16Å; Y132-L148 HydrophobicContact CE1-CB 3.78Å; Y132-L148 HydrophobicContact CE1-CD1 3.69Å; Y132-L148 HydrophobicContact CE1-CG 4.32Å; Y132-L148 HydrophobicContact CE2-CD1 4.08Å |
| 133 | H | 94.7 | Very high | 83.9 | Confident | 77 Ų | 77 | 71.1 Ų | 71.1 | 36% | 0.356 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 132.2 | 173.4 | -74.6 | -59.2 | 0 | 0 | 0 | 111.1 | Y146 H147 S149 | H133-Y146 WeakPolarHBondContact O-CA 3.39Å; H133-H147 PolarHBondContact N-O 3.2Å; H133-H147 PolarHBondContact O-N 2.97Å; H133-S149 WeakPolarHBondContact CD2-CB 3.47Å; H133-S149 PolarHBondContact CD2-OG 3.2Å; H133-S149 PolarHBondContact NE2-OG 3.12Å |
| 134 | A | 92.3 | Very high | 84.3 | Confident | 11 Ų | 11 | 69.3 Ų | 69.3 | 9% | 0.091 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 135.1 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | I70 P109 S110 V144 Q145 Y146 | I70-A134 HydrophobicContact CD1-CB 3.46Å; I70-A134 VanDerWaalsContact CD1-CB 3.46Å; I70-A134 HydrophobicContact CG1-CB 4.16Å; P109-A134 VanDerWaalsContact O-CB 3.27Å; P109-A134 WeakPolarHBondContact O-CB 3.49Å; S110-A134 WeakPolarHBondContact O-CB 3.2Å; S110-A134 PolarHBondContact O-N 3.47Å; A134-V144 HydrophobicContact CB-CG1 3.68Å; A134-Q145 CarbonylContact C-O 3.58Å; A134-Q145 WeakPolarHBondContact CA-O 3.49Å; A134-Y146 HydrophobicContact CB-CD1 3.97Å; A134-Y146 HydrophobicContact CB-CE1 3.58Å |
| 135 | K | 91.7 | Very high | 84.9 | Confident | 112 Ų | 112 | 71.3 Ų | 71.3 | 49% | 0.487 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 143 | 169.6 | -65.5 | -174 | -177.2 | 176.3 | 0 | 110 | E137 V144 Q145 | K135-E137 PolarHBondContact O-N 2.89Å; K135-V144 WeakPolarHBondContact O-CA 3.27Å; K135-Q145 PolarHBondContact N-O 3.18Å; K135-Q145 PolarHBondContact O-N 3.25Å |
| 136 | C | 90.2 | Very high | 85.5 | Confident | 35 Ų | 35 | 72.8 Ų | 72.8 | 24% | 0.236 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 110.4 | 172.8 | -44 | 0 | 0 | 0 | 0 | 109 | R71 C72 R141 W143 | R71-C136 PolarHBondContact O-SG 2.98Å; R71-C136 VanDerWaalsContact O-SG 3.38Å; C72-C136 WeakPolarHBondContact CA-SG 3.46Å; C72-C136 HydrophobicContact CB-CB 3.83Å; C72-C136 WeakPolarHBondContact CB-SG 3.23Å; C72-C136 WeakPolarHBondContact SG-CB 3.38Å; C72-C136 CovalentContact SG-SG 2.04Å; C72-C136 PolarHBondContact SG-SG 3.49Å; C136-R141 HydrophobicContact CB-CB 3.83Å; C136-R141 HydrophobicContact CB-CG 4.32Å; C136-W143 CarbonylContact C-O 3.56Å; C136-W143 WeakPolarHBondContact CA-O 3.42Å |
| 137 | E | 85.8 | Confident | 86 | Confident | 72 Ų | 72 | 75.4 Ų | 75.4 | 34% | 0.336 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 159 | -174.8 | -74.1 | -64.5 | 158.9 | 0 | 0 | 112.9 | K135 R141 R142 W143 Q145 H147 | K135-E137 PolarHBondContact O-N 2.89Å; E137-R141 WeakPolarHBondContact O-CA 3.41Å; E137-R142 PolarHBondContact O-N 3Å; E137-W143 PolarHBondContact N-O 3.42Å; E137-W143 PolarHBondContact O-N 3.47Å; E137-Q145 HydrophobicContact CB-CG 4.21Å; E137-Q145 HydrophobicContact CG-CB 4.01Å; E137-Q145 HydrophobicContact CG-CG 4.1Å; E137-H147 IonicContact OE1-NE2 3.86Å |
| 138 | G | 80.2 | Confident | 86.5 | Confident | 44 Ų | 44 | 75.1 Ų | 75.1 | 45% | 0.454 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.7 | 162.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | T140 R141 | G138-T140 PolarHBondContact O-N 3.3Å; G138-T140 VanDerWaalsContact O-N 3.13Å; G138-R141 PolarHBondContact O-N 2.94Å |
| 139 | K | 76 | Confident | 86.8 | Confident | 223 Ų | 223 | 77.8 Ų | 77.8 | 97% | 0.97 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.6 | -37.7 | -176.9 | -68.6 | -174 | 179.8 | -178.9 | 0 | 113.1 | ||
| 140 | T | 72.5 | Confident | 87 | Confident | 55 Ų | 55 | 78.5 Ų | 78.5 | 34% | 0.337 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.2 | 6.2 | 179.1 | 57.9 | 0 | 0 | 0 | 0 | 113.6 | A73 G138 R142 | A73-T140 WeakPolarHBondContact CB-O 3.22Å; G138-T140 PolarHBondContact O-N 3.3Å; G138-T140 VanDerWaalsContact O-N 3.13Å; T140-R142 PolarHBondContact O-N 3.01Å; T140-R142 VanDerWaalsContact O-N 3.16Å; T140-R142 WeakPolarHBondContact OG1-CD 3.33Å; T140-R142 WeakPolarHBondContact OG1-CG 3.4Å |
| 141 | R | 72.5 | Confident | 87 | Confident | 170 Ų | 170 | 80.8 Ų | 80.8 | 64% | 0.642 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.6 | 40.3 | -177 | -64.2 | -175.7 | 178.3 | 174.4 | 0.4 | 113.4 | A73 C136 E137 G138 | A73-R141 PolarHBondContact N-O 3.46Å; C136-R141 HydrophobicContact CB-CB 3.83Å; C136-R141 HydrophobicContact CB-CG 4.32Å; E137-R141 WeakPolarHBondContact O-CA 3.41Å; G138-R141 PolarHBondContact O-N 2.94Å |
| 142 | R | 71.8 | Confident | 86.7 | Confident | 91 Ų | 91 | 88.4 Ų | 88.4 | 34% | 0.343 | 42% | 0.419 | S | S | . | . | trans | -90.5 | -27.6 | -172.7 | -80.6 | -176.6 | -168.3 | 175.9 | 9.9 | 114.2 | A73 I76 E137 T140 | A73-R142 HydrophobicContact CB-CG 4.16Å; A73-R142 WeakPolarHBondContact O-CA 3.25Å; I76-R142 VanDerWaalsContact CG1-NH2 3.26Å; E137-R142 PolarHBondContact O-N 3Å; T140-R142 PolarHBondContact O-N 3.01Å; T140-R142 VanDerWaalsContact O-N 3.16Å; T140-R142 WeakPolarHBondContact OG1-CD 3.33Å; T140-R142 WeakPolarHBondContact OG1-CG 3.4Å | ||
| 143 | W | 78.2 | Confident | 86.2 | Confident | 184 Ų | 184 | 95 Ų | 95 | 70% | 0.697 | 44% | 0.443 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 132.5 | -173.5 | -56.4 | 106 | 0 | 0 | 0 | 108.9 | C136 E137 | C136-W143 CarbonylContact C-O 3.56Å; C136-W143 WeakPolarHBondContact CA-O 3.42Å; E137-W143 PolarHBondContact N-O 3.42Å; E137-W143 PolarHBondContact O-N 3.47Å |
| 144 | V | 84.1 | Confident | 85.2 | Confident | 41 Ų | 41 | 91.4 Ų | 91.4 | 25% | 0.248 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 118.4 | 169.6 | -179.6 | 0 | 0 | 0 | 0 | 108.1 | I70 C72 R108 A134 K135 Y146 | I70-V144 HydrophobicContact CD1-CG1 4.34Å; C72-V144 HydrophobicContact CB-CG2 4.03Å; C72-V144 WeakPolarHBondContact SG-CG2 3.41Å; R108-V144 HydrophobicContact CB-CG1 4.45Å; R108-V144 HydrophobicContact CB-CG2 3.98Å; R108-V144 HydrophobicContact CG-CB 4.5Å; R108-V144 HydrophobicContact CG-CG2 3.67Å; A134-V144 HydrophobicContact CB-CG1 3.68Å; K135-V144 WeakPolarHBondContact O-CA 3.27Å; V144-Y146 HydrophobicContact CG1-CE2 4.21Å |
| 145 | Q | 89.5 | Confident | 84 | Confident | 101 Ų | 101 | 96 Ų | 96 | 47% | 0.472 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 137.5 | 172.6 | -68.3 | -170.8 | -10.6 | 0 | 0 | 109.4 | A134 K135 E137 | A134-Q145 CarbonylContact C-O 3.58Å; A134-Q145 WeakPolarHBondContact CA-O 3.49Å; K135-Q145 PolarHBondContact N-O 3.18Å; K135-Q145 PolarHBondContact O-N 3.25Å; E137-Q145 HydrophobicContact CB-CG 4.21Å; E137-Q145 HydrophobicContact CG-CB 4.01Å; E137-Q145 HydrophobicContact CG-CG 4.1Å |
| 146 | Y | 91.6 | Very high | 82.5 | Confident | 73 Ų | 73 | 94.4 Ų | 94.4 | 29% | 0.286 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 116.5 | 176.7 | -75.7 | -80.5 | 0 | 0 | 0 | 108.8 | P109 H112 H133 A134 V144 | P109-Y146 WeakPolarHBondContact O-CE1 3.47Å; P109-Y146 PolarHBondContact O-OH 3.36Å; H112-Y146 HydrophobicContact CB-CD1 3.48Å; H112-Y146 VanDerWaalsContact CB-CD1 3.48Å; H112-Y146 HydrophobicContact CB-CE1 3.44Å; H112-Y146 VanDerWaalsContact CB-CE1 3.44Å; H112-Y146 HydrophobicContact CB-CG 4.17Å; H133-Y146 WeakPolarHBondContact O-CA 3.39Å; A134-Y146 HydrophobicContact CB-CD1 3.97Å; A134-Y146 HydrophobicContact CB-CE1 3.58Å; V144-Y146 HydrophobicContact CG1-CE2 4.21Å |
| 147 | H | 92.7 | Very high | 81 | Confident | 65 Ų | 65 | 103.3 Ų | 103.3 | 30% | 0.301 | 48% | 0.479 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 136.3 | 178.4 | -60.1 | -90.2 | 0 | 0 | 0 | 109.9 | Y132 H133 E137 S149 | Y132-H147 CarbonylContact C-O 3.56Å; Y132-H147 WeakPolarHBondContact CA-O 3.46Å; H133-H147 PolarHBondContact N-O 3.2Å; H133-H147 PolarHBondContact O-N 2.97Å; E137-H147 IonicContact OE1-NE2 3.86Å; H147-S149 PolarHBondContact O-N 3.5Å |
| 148 | L | 94.5 | Very high | 79.6 | Confident | 105 Ų | 105 | 104.2 Ų | 104.2 | 55% | 0.55 | 48% | 0.483 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.8 | 124.2 | 177.6 | -176.9 | 66.8 | 0 | 0 | 0 | 109.5 | C130 Y132 C151 | C130-L148 HydrophobicContact CB-CD1 3.95Å; Y132-L148 VanDerWaalsContact CD1-CA 3.48Å; Y132-L148 HydrophobicContact CD1-CB 3.98Å; Y132-L148 HydrophobicContact CD1-CD1 4.16Å; Y132-L148 HydrophobicContact CE1-CB 3.78Å; Y132-L148 HydrophobicContact CE1-CD1 3.69Å; Y132-L148 HydrophobicContact CE1-CG 4.32Å; Y132-L148 HydrophobicContact CE2-CD1 4.08Å; L148-C151 HydrophobicContact CD1-CB 4.49Å |
| 149 | S | 93.3 | Very high | 78.3 | Confident | 61 Ų | 61 | 105.3 Ų | 105.3 | 43% | 0.427 | 47% | 0.474 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | -50.8 | 178.7 | 179.5 | 0 | 0 | 0 | 0 | 110.8 | T131 H133 H147 | T131-S149 WeakPolarHBondContact O-CA 3.48Å; T131-S149 VanDerWaalsContact O-CB 3.24Å; T131-S149 WeakPolarHBondContact O-CB 3.43Å; T131-S149 PolarHBondContact O-N 3.35Å; H133-S149 WeakPolarHBondContact CD2-CB 3.47Å; H133-S149 PolarHBondContact CD2-OG 3.2Å; H133-S149 PolarHBondContact NE2-OG 3.12Å; H147-S149 PolarHBondContact O-N 3.5Å |
| 150 | S | 92.8 | Very high | 77.2 | Confident | 37 Ų | 37 | 101.5 Ų | 101.5 | 26% | 0.259 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.1 | 154.2 | 176.5 | 59.4 | 0 | 0 | 0 | 0 | 110 | C130 T131 | C130-S150 CarbonylContact C-O 3.56Å; C130-S150 WeakPolarHBondContact CA-O 3.44Å; T131-S150 PolarHBondContact N-O 3.43Å; T131-S150 PolarHBondContact O-N 3.03Å |
| 151 | C | 93 | Very high | 76.1 | Confident | 57 Ų | 57 | 106.2 Ų | 106.2 | 39% | 0.385 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 126.8 | 165 | -159.7 | 0 | 0 | 0 | 0 | 110 | N128 V129 C130 L148 | N128-C151 PolarHBondContact ND2-SG 2.92Å; V129-C151 WeakPolarHBondContact O-CA 3.44Å; C130-C151 WeakPolarHBondContact CA-SG 3.45Å; C130-C151 HydrophobicContact CB-CB 3.86Å; C130-C151 WeakPolarHBondContact CB-SG 3.24Å; C130-C151 WeakPolarHBondContact SG-CB 3.48Å; C130-C151 CovalentContact SG-SG 2.05Å; C130-C151 PolarHBondContact SG-SG 2.87Å; L148-C151 HydrophobicContact CD1-CB 4.49Å |
| 152 | R | 88.2 | Confident | 75 | Confident | 184 Ų | 184 | 105.1 Ų | 105.1 | 69% | 0.694 | 48% | 0.479 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 135 | -174.3 | -61.8 | -176.6 | -175.7 | -172.9 | -0.2 | 109.4 | N128 V129 A154 | N128-R152 CarbonylContact C-O 3.6Å; N128-R152 WeakPolarHBondContact CA-O 3.47Å; N128-R152 VanDerWaalsContact CB-O 3.27Å; N128-R152 WeakPolarHBondContact CB-O 3.31Å; V129-R152 PolarHBondContact N-O 3.48Å; V129-R152 PolarHBondContact O-N 2.85Å; R152-A154 PolarHBondContact O-N 3.1Å |
| 153 | R | 84.3 | Confident | 73.9 | Confident | 196 Ų | 196 | 104.2 Ų | 104.2 | 74% | 0.74 | 48% | 0.476 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -63.2 | 134.5 | 171.9 | -159.9 | 174.8 | -171.8 | 163.1 | 0.4 | 108.9 | W127 N155 | W127-R153 CarbonylContact O-C 3.56Å; W127-R153 WeakPolarHBondContact O-CA 3.29Å; W127-R153 WeakPolarHBondContact O-CG 3.18Å; R153-N155 PolarHBondContact O-N 3.37Å; R153-N155 VanDerWaalsContact O-N 3.16Å |
| 154 | A | 74.1 | Confident | 72.1 | Confident | 2 Ų | 2 | 103.6 Ų | 103.6 | 2% | 0.017 | 48% | 0.478 | C | S | . | . | P | Polyproline II helix | trans | -64.7 | 116.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | M126 W127 R152 R159 | M126-A154 HydrophobicContact CB-CB 4.13Å; M126-A154 HydrophobicContact CE-CB 3.45Å; M126-A154 VanDerWaalsContact CE-CB 3.45Å; M126-A154 HydrophobicContact CG-CB 3.85Å; M126-A154 VanDerWaalsContact O-CB 3.29Å; M126-A154 WeakPolarHBondContact O-CB 3.19Å; M126-A154 HydrophobicContact SD-CB 4.37Å; W127-A154 PolarHBondContact O-N 3.31Å; R152-A154 PolarHBondContact O-N 3.1Å; A154-R159 HydrophobicContact CB-CG 4.14Å; A154-R159 PolarHBondContact O-NE 3.12Å |
| 155 | N | 66.5 | Low | 70 | Confident | 107 Ų | 107 | 110.8 Ų | 110.8 | 57% | 0.572 | 51% | 0.506 | S | S | * | . | P | Polyproline II helix | trans | -68 | 155.1 | 173.3 | -160.5 | 0.8 | 0 | 0 | 0 | 109.5 | R153 R157 Q158 R159 | R153-N155 PolarHBondContact O-N 3.37Å; R153-N155 VanDerWaalsContact O-N 3.16Å; N155-R157 VanDerWaalsContact C-N 3.27Å; N155-R157 PolarHBondContact O-N 3.01Å; N155-R157 VanDerWaalsContact O-N 3.15Å; N155-Q158 WeakPolarHBondContact O-CA 3.25Å; N155-Q158 WeakPolarHBondContact O-CB 3.38Å; N155-Q158 PolarHBondContact O-N 3.49Å; N155-R159 PolarHBondContact O-N 3.27Å; N155-R159 VanDerWaalsContact O-N 3.15Å |
| 156 | T | 61 | Low | 67.6 | Low | 80 Ų | 80 | 111.8 Ų | 111.8 | 49% | 0.491 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -48.5 | -46 | -175.9 | 39.1 | 0 | 0 | 0 | 0 | 112.7 | Q158 R159 F160 | T156-Q158 VanDerWaalsContact C-N 3.26Å; T156-Q158 PolarHBondContact O-N 3.24Å; T156-R159 WeakPolarHBondContact O-CB 3.37Å; T156-R159 PolarHBondContact O-N 3.49Å; T156-R159 VanDerWaalsContact O-N 3.14Å; T156-F160 VanDerWaalsContact O-CD2 3.25Å; T156-F160 WeakPolarHBondContact O-CD2 3.24Å |
| 157 | R | 59.2 | Low | 65.1 | Low | 222 Ų | 222 | 116.2 Ų | 116.2 | 84% | 0.838 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -59.8 | -31.2 | 176.5 | -69.5 | -172.7 | -177 | 175.4 | 1.7 | 114.4 | N155 | N155-R157 VanDerWaalsContact C-N 3.27Å; N155-R157 PolarHBondContact O-N 3.01Å; N155-R157 VanDerWaalsContact O-N 3.15Å |
| 158 | Q | 55.7 | Low | 63.7 | Low | 91 Ų | 91 | 118.8 Ų | 118.8 | 43% | 0.425 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -84.4 | -22.1 | 180 | -66.4 | -177.9 | -20.7 | 0 | 0 | 112.3 | M126 N155 T156 F160 K161 | M126-Q158 HydrophobicContact CE-CB 3.65Å; M126-Q158 WeakPolarHBondContact CE-O 3.49Å; N155-Q158 WeakPolarHBondContact O-CA 3.25Å; N155-Q158 WeakPolarHBondContact O-CB 3.38Å; N155-Q158 PolarHBondContact O-N 3.49Å; T156-Q158 VanDerWaalsContact C-N 3.26Å; T156-Q158 PolarHBondContact O-N 3.24Å; Q158-F160 PolarHBondContact O-N 3.38Å; Q158-K161 PolarHBondContact O-N 3.02Å; Q158-K161 VanDerWaalsContact O-N 3.14Å |
| 159 | R | 53.6 | Low | 62.1 | Low | 67 Ų | 67 | 119.5 Ų | 119.5 | 25% | 0.253 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -60.8 | -25.8 | 179.3 | -63.4 | -171.5 | -178.4 | 169.7 | -1.1 | 113.1 | M126 A154 N155 T156 | M126-R159 WeakPolarHBondContact O-CG 3.41Å; A154-R159 HydrophobicContact CB-CG 4.14Å; A154-R159 PolarHBondContact O-NE 3.12Å; N155-R159 PolarHBondContact O-N 3.27Å; N155-R159 VanDerWaalsContact O-N 3.15Å; T156-R159 WeakPolarHBondContact O-CB 3.37Å; T156-R159 PolarHBondContact O-N 3.49Å; T156-R159 VanDerWaalsContact O-N 3.14Å |
| 160 | F | 52.1 | Low | 60.3 | Low | 143 Ų | 143 | 122.8 Ų | 122.8 | 63% | 0.627 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.9 | -1.9 | -179.6 | -56.7 | -76.6 | 0 | 0 | 0 | 114.2 | T156 Q158 L162 | T156-F160 VanDerWaalsContact O-CD2 3.25Å; T156-F160 WeakPolarHBondContact O-CD2 3.24Å; Q158-F160 PolarHBondContact O-N 3.38Å; F160-L162 PolarHBondContact O-N 3.22Å |
| 161 | K | 50.1 | Low | 58.4 | Low | 153 Ų | 153 | 127.8 Ų | 127.8 | 67% | 0.665 | 58% | 0.579 | S | S | * | * | trans | -70.7 | 103 | 178.9 | -85.3 | -170.1 | 173.5 | -172.9 | 0 | 109.8 | Q158 | Q158-K161 PolarHBondContact O-N 3.02Å; Q158-K161 VanDerWaalsContact O-N 3.14Å | ||
| 162 | L | 49 | Very low | 56.3 | Low | 148 Ų | 148 | 132.3 Ų | 132.3 | 78% | 0.775 | 59% | 0.591 | S | S | * | * | trans | -62.5 | 147.5 | 166.9 | -82 | 143 | 0 | 0 | 0 | 111.1 | F160 F164 | F160-L162 PolarHBondContact O-N 3.22Å; L162-F164 VanDerWaalsContact C-N 3.29Å; L162-F164 PolarHBondContact O-N 2.73Å | ||
| 163 | W | 48.2 | Very low | 54.1 | Low | 71 Ų | 71 | 128.8 Ų | 128.8 | 27% | 0.269 | 58% | 0.584 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -66.7 | -0.9 | -155.8 | -89.5 | 75.7 | 0 | 0 | 0 | 118.7 | I62 T64 Y115 Y117 | I62-W163 HydrophobicContact CB-CH2 3.16Å; I62-W163 HydrophobicContact CB-CZ2 3.36Å; I62-W163 HydrophobicContact CB-CZ3 3.87Å; I62-W163 HydrophobicContact CD1-CD2 4.08Å; I62-W163 HydrophobicContact CD1-CH2 3.92Å; I62-W163 HydrophobicContact CD1-CZ2 3.26Å; I62-W163 HydrophobicContact CD1-CZ3 4.46Å; I62-W163 HydrophobicContact CG1-CH2 4.1Å; I62-W163 HydrophobicContact CG1-CZ2 3.83Å; I62-W163 HydrophobicContact CG2-CE3 3.94Å; I62-W163 HydrophobicContact CG2-CH2 3.01Å; I62-W163 HydrophobicContact CG2-CZ2 3.63Å; I62-W163 HydrophobicContact CG2-CZ3 3.13Å; T64-W163 HydrophobicContact CG2-CE3 4.43Å; T64-W163 HydrophobicContact CG2-CH2 3.86Å; T64-W163 HydrophobicContact CG2-CZ3 3.38Å; Y115-W163 AromaticContact CD2-CH2 3.64Å; Y115-W163 HydrophobicContact CD2-CH2 3.64Å; Y115-W163 HydrophobicContact CD2-CZ2 4.21Å; Y115-W163 HydrophobicContact CE2-CH2 4.26Å; Y115-W163 AromaticContact CG-CH2 3.87Å; Y115-W163 HydrophobicContact CG-CH2 3.87Å; Y115-W163 AromaticContact CG-CZ2 3.95Å; Y115-W163 HydrophobicContact CG-CZ2 3.95Å; Y117-W163 AromaticContact CE2-CZ2 3.81Å; Y117-W163 HydrophobicContact CE2-CZ2 3.81Å; Y117-W163 AromaticContact CZ-CZ2 3.9Å; Y117-W163 AromaticContact CZ-NE1 3.54Å; Y117-W163 VanDerWaalsContact OH-CE2 3.25Å; Y117-W163 VanDerWaalsContact OH-CZ2 3.22Å; Y117-W163 WeakPolarHBondContact OH-CZ2 3.42Å; Y117-W163 PolarHBondContact OH-NE1 3.15Å |
| 164 | F | 40.2 | Very low | 52 | Low | 172 Ų | 172 | 124 Ų | 124 | 75% | 0.754 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.2 | 3 | -160.4 | -64.5 | -74.8 | 0 | 0 | 0 | 116.5 | L162 | L162-F164 VanDerWaalsContact C-N 3.29Å; L162-F164 PolarHBondContact O-N 2.73Å |
| 165 | K | 40.2 | Very low | 50.3 | Low | 192 Ų | 192 | 133.4 Ų | 133.4 | 84% | 0.835 | 62% | 0.616 | S | S | * | * | S | Bend | trans | -93.5 | -15.8 | -174.4 | -127.7 | -179.1 | -177.6 | 178.7 | 0 | 115.8 | ||
| 166 | D | 40.5 | Very low | 48.9 | Very low | 122 Ų | 122 | 135.6 Ų | 135.6 | 65% | 0.652 | 62% | 0.62 | S | S | * | * | trans | -114.7 | 11 | -170.7 | -71.6 | -7.5 | 0 | 0 | 0 | 114 | ||||
| 167 | I | 37.4 | Very low | 47.8 | Very low | 166 Ų | 166 | 140.6 Ų | 140.6 | 85% | 0.851 | 63% | 0.631 | S | S | * | * | trans | -96.5 | 0 | 171.9 | -59.1 | 176.6 | 0 | 0 | 0 | 108.7 | Q67 | Q67-I167 PolarHBondContact NE2-O 3.08Š|
Retrieved 167 of 167 residues in 87.7 ms
(Link to these results)