| 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 | 40.6 | Very low | 56.7 | Low | 249 Ų | 249 | 141.5 Ų | 141.5 | 100% | 1.227 | 71% | 0.713 | S | S | * | * | 0 | 89.6 | 0 | -85.8 | 177.9 | 171.9 | 0 | 0 | 107 | |||||
| 2 | E | 44.1 | Very low | 59.1 | Low | 179 Ų | 179 | 139.9 Ų | 139.9 | 84% | 0.836 | 70% | 0.701 | S | S | * | * | trans | -119.7 | 151.8 | 175.5 | -86.6 | 174 | 95.9 | 0 | 0 | 108.1 | ||||
| 3 | H | 44.4 | Very low | 61.3 | Low | 148 Ų | 148 | 140.4 Ų | 140.4 | 69% | 0.685 | 69% | 0.69 | S | S | * | * | trans | 91.4 | 43.9 | -176.5 | -54.1 | -80.9 | 0 | 0 | 0 | 117.9 | ||||
| 4 | K | 47.3 | Very low | 63.3 | Low | 226 Ų | 226 | 134.1 Ų | 134.1 | 98% | 0.983 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -123.4 | 74.3 | 151.2 | -102.4 | -174.5 | 176.1 | -178.1 | 0 | 111 | ||
| 5 | G | 48.8 | Very low | 65.2 | Low | 77 Ų | 77 | 134.6 Ų | 134.6 | 79% | 0.794 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -168.7 | 13 | 171.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 6 | K | 52.2 | Low | 66.9 | Low | 163 Ų | 163 | 130.1 Ų | 130.1 | 71% | 0.709 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -122.6 | 3.6 | -172 | -102.5 | -178.3 | 176.8 | 178.3 | 0 | 115.3 | ||
| 7 | N | 57.8 | Low | 68.5 | Low | 104 Ų | 104 | 126 Ų | 126 | 56% | 0.556 | 63% | 0.633 | S | S | * | * | trans | -120.2 | 23.5 | -168.1 | -72.5 | 6.4 | 0 | 0 | 0 | 114.9 | F9 H10 S11 | N7-F9 PolarHBondContact O-N 3.39Å; N7-H10 PolarHBondContact O-N 3.31Å; N7-S11 PolarHBondContact O-N 3.1Å | ||
| 8 | D | 62.7 | Low | 69.9 | Low | 122 Ų | 122 | 127.1 Ų | 127.1 | 65% | 0.652 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -64.2 | -34.9 | 169.2 | -95.4 | -22.1 | 0 | 0 | 0 | 111.5 | H10 S11 E12 | D8-H10 VanDerWaalsContact C-N 3.28Å; D8-H10 PolarHBondContact O-N 3.06Å; D8-S11 PolarHBondContact O-N 2.91Å; D8-S11 PolarHBondContact O-OG 3.47Å; D8-E12 WeakPolarHBondContact O-CG 3.46Å; D8-E12 PolarHBondContact O-N 3.42Å |
| 9 | F | 73.5 | Confident | 71.3 | Confident | 140 Ų | 140 | 127.8 Ų | 127.8 | 61% | 0.614 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -53.4 | -42.7 | 172.9 | -179 | -99.3 | 0 | 0 | 0 | 112.9 | N7 S11 W13 | N7-F9 PolarHBondContact O-N 3.39Å; F9-S11 VanDerWaalsContact C-N 3.32Å; F9-S11 PolarHBondContact O-N 2.71Å; F9-W13 WeakPolarHBondContact O-CB 3.3Å; F9-W13 PolarHBondContact O-N 3.26Å |
| 10 | H | 73.6 | Confident | 72.5 | Confident | 106 Ų | 106 | 126.6 Ų | 126.6 | 49% | 0.491 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -69.9 | -32.2 | 178.9 | -69.2 | -66.9 | 0 | 0 | 0 | 112.2 | N7 D8 A14 | N7-H10 PolarHBondContact O-N 3.31Å; D8-H10 VanDerWaalsContact C-N 3.28Å; D8-H10 PolarHBondContact O-N 3.06Å; H10-A14 VanDerWaalsContact O-CB 3.31Å; H10-A14 WeakPolarHBondContact O-CB 3.4Å; H10-A14 PolarHBondContact O-N 2.94Å |
| 11 | S | 79.2 | Confident | 73.6 | Confident | 43 Ų | 43 | 125.9 Ų | 125.9 | 30% | 0.301 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -75.6 | -38.6 | 178.2 | 88.5 | 0 | 0 | 0 | 0 | 111.8 | N7 D8 F9 A14 K15 | N7-S11 PolarHBondContact O-N 3.1Å; D8-S11 PolarHBondContact O-N 2.91Å; D8-S11 PolarHBondContact O-OG 3.47Å; F9-S11 VanDerWaalsContact C-N 3.32Å; F9-S11 PolarHBondContact O-N 2.71Å; S11-A14 PolarHBondContact O-N 2.97Å; S11-K15 VanDerWaalsContact O-CG 3.31Å; S11-K15 WeakPolarHBondContact O-CG 3.49Å; S11-K15 PolarHBondContact O-N 2.9Å |
| 12 | E | 85.4 | Confident | 76.2 | Confident | 122 Ų | 122 | 119.2 Ų | 119.2 | 57% | 0.57 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -67.3 | -42.8 | 173.9 | -72.3 | -179.6 | 165.8 | 0 | 0 | 111.5 | D8 A14 K15 S16 | D8-E12 WeakPolarHBondContact O-CG 3.46Å; D8-E12 PolarHBondContact O-N 3.42Å; E12-A14 VanDerWaalsContact C-N 3.35Å; E12-A14 PolarHBondContact O-N 2.91Å; E12-K15 PolarHBondContact O-N 3.21Å; E12-S16 PolarHBondContact O-N 2.92Å; E12-S16 PolarHBondContact O-OG 2.86Å |
| 13 | W | 87.7 | Confident | 78.6 | Confident | 146 Ų | 146 | 113.5 Ų | 113.5 | 55% | 0.553 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -61 | -42.3 | 172.7 | 177 | 85.2 | 0 | 0 | 0 | 112.1 | F9 K15 S16 I17 | F9-W13 WeakPolarHBondContact O-CB 3.3Å; F9-W13 PolarHBondContact O-N 3.26Å; W13-K15 VanDerWaalsContact C-N 3.31Å; W13-K15 PolarHBondContact O-N 3.19Å; W13-S16 WeakPolarHBondContact CA-OG 3.37Å; W13-S16 PolarHBondContact O-N 2.87Å; W13-S16 PolarHBondContact O-OG 3.28Å; W13-I17 HydrophobicContact CD2-CD1 3.96Å; W13-I17 HydrophobicContact CD2-CG1 4.49Å; W13-I17 HydrophobicContact CE3-CD1 4.29Å; W13-I17 HydrophobicContact CH2-CD1 3.53Å; W13-I17 HydrophobicContact CZ2-CD1 3.12Å; W13-I17 HydrophobicContact CZ2-CG1 4.37Å; W13-I17 HydrophobicContact CZ3-CD1 4.09Å; W13-I17 PolarHBondContact O-N 3.08Å |
| 14 | A | 89.4 | Confident | 80.9 | Confident | 53 Ų | 53 | 110.6 Ų | 110.6 | 44% | 0.438 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -64.9 | -37.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | H10 S11 E12 K18 | H10-A14 VanDerWaalsContact O-CB 3.31Å; H10-A14 WeakPolarHBondContact O-CB 3.4Å; H10-A14 PolarHBondContact O-N 2.94Å; S11-A14 PolarHBondContact O-N 2.97Å; E12-A14 VanDerWaalsContact C-N 3.35Å; E12-A14 PolarHBondContact O-N 2.91Å; A14-K18 WeakPolarHBondContact O-CB 3.38Å; A14-K18 PolarHBondContact O-N 2.8Å; A14-K18 VanDerWaalsContact O-N 3.13Å |
| 15 | K | 90.8 | Very high | 82.9 | Confident | 141 Ų | 141 | 104.7 Ų | 104.7 | 61% | 0.613 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -66.9 | -43.7 | 174.3 | -74.6 | 171.1 | -175.9 | 170.9 | 0 | 111.8 | S11 E12 W13 K18 E19 | S11-K15 VanDerWaalsContact O-CG 3.31Å; S11-K15 WeakPolarHBondContact O-CG 3.49Å; S11-K15 PolarHBondContact O-N 2.9Å; E12-K15 PolarHBondContact O-N 3.21Å; W13-K15 VanDerWaalsContact C-N 3.31Å; W13-K15 PolarHBondContact O-N 3.19Å; K15-K18 WeakPolarHBondContact O-CB 3.49Å; K15-K18 PolarHBondContact O-N 2.79Å; K15-K18 VanDerWaalsContact O-N 3.15Å; K15-E19 PolarHBondContact O-N 2.71Å |
| 16 | S | 93.3 | Very high | 85.1 | Confident | 62 Ų | 62 | 106.3 Ų | 106.3 | 43% | 0.434 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -66.9 | -37.7 | -179.6 | 67.9 | 0 | 0 | 0 | 0 | 112.3 | E12 W13 K18 E19 L20 | E12-S16 PolarHBondContact O-N 2.92Å; E12-S16 PolarHBondContact O-OG 2.86Å; W13-S16 WeakPolarHBondContact CA-OG 3.37Å; W13-S16 PolarHBondContact O-N 2.87Å; W13-S16 PolarHBondContact O-OG 3.28Å; S16-K18 VanDerWaalsContact C-N 3.33Å; S16-E19 PolarHBondContact O-N 2.99Å; S16-L20 WeakPolarHBondContact O-CB 3.49Å; S16-L20 PolarHBondContact O-N 2.85Å |
| 17 | I | 93.8 | Very high | 86.9 | Confident | 61 Ų | 61 | 104.2 Ų | 104.2 | 31% | 0.313 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.3 | -41.8 | 171.1 | -73.7 | -169.9 | 0 | 0 | 0 | 111.1 | W13 E19 L20 M21 | W13-I17 HydrophobicContact CD2-CD1 3.96Å; W13-I17 HydrophobicContact CD2-CG1 4.49Å; W13-I17 HydrophobicContact CE3-CD1 4.29Å; W13-I17 HydrophobicContact CH2-CD1 3.53Å; W13-I17 HydrophobicContact CZ2-CD1 3.12Å; W13-I17 HydrophobicContact CZ2-CG1 4.37Å; W13-I17 HydrophobicContact CZ3-CD1 4.09Å; W13-I17 PolarHBondContact O-N 3.08Å; I17-E19 VanDerWaalsContact C-N 3.31Å; I17-E19 PolarHBondContact O-N 2.83Å; I17-L20 PolarHBondContact O-N 2.89Å; I17-M21 HydrophobicContact CG2-CG 4.3Å; I17-M21 WeakPolarHBondContact O-CB 3.35Å; I17-M21 WeakPolarHBondContact O-CG 3.42Å; I17-M21 PolarHBondContact O-N 2.94Å |
| 18 | K | 93.6 | Very high | 88.5 | Confident | 146 Ų | 146 | 101.3 Ų | 101.3 | 64% | 0.635 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -61.8 | -42.5 | 178.1 | -171.6 | -179.3 | 178.7 | -175.3 | 0 | 111.3 | A14 K15 S16 M21 L22 | A14-K18 WeakPolarHBondContact O-CB 3.38Å; A14-K18 PolarHBondContact O-N 2.8Å; A14-K18 VanDerWaalsContact O-N 3.13Å; K15-K18 WeakPolarHBondContact O-CB 3.49Å; K15-K18 PolarHBondContact O-N 2.79Å; K15-K18 VanDerWaalsContact O-N 3.15Å; S16-K18 VanDerWaalsContact C-N 3.33Å; K18-M21 PolarHBondContact O-N 3.25Å; K18-L22 HydrophobicContact CG-CD1 4.39Å; K18-L22 VanDerWaalsContact O-CG 3.31Å; K18-L22 WeakPolarHBondContact O-CG 3.44Å; K18-L22 PolarHBondContact O-N 3.32Å; K18-L22 VanDerWaalsContact O-N 3.08Å |
| 19 | E | 96 | Very high | 89.6 | Confident | 141 Ų | 141 | 103.6 Ų | 103.6 | 66% | 0.659 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -68.9 | -39.9 | 178.3 | -166.9 | 167.5 | -161 | 0 | 0 | 112.5 | K15 S16 I17 M21 L22 S23 | K15-E19 PolarHBondContact O-N 2.71Å; S16-E19 PolarHBondContact O-N 2.99Å; I17-E19 VanDerWaalsContact C-N 3.31Å; I17-E19 PolarHBondContact O-N 2.83Å; E19-M21 VanDerWaalsContact C-N 3.34Å; E19-M21 PolarHBondContact O-N 3.44Å; E19-L22 PolarHBondContact O-N 2.9Å; E19-S23 WeakPolarHBondContact O-CB 3.44Å; E19-S23 PolarHBondContact O-N 2.98Å; E19-S23 PolarHBondContact O-OG 3.32Å |
| 20 | L | 96.6 | Very high | 90.4 | Very high | 103 Ų | 103 | 102.7 Ų | 102.7 | 54% | 0.539 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -59.3 | -44.1 | 171.7 | -179.7 | 68 | 0 | 0 | 0 | 111.7 | S16 I17 S23 L24 | S16-L20 WeakPolarHBondContact O-CB 3.49Å; S16-L20 PolarHBondContact O-N 2.85Å; I17-L20 PolarHBondContact O-N 2.89Å; L20-S23 WeakPolarHBondContact CA-OG 3.39Å; L20-S23 PolarHBondContact O-N 3.43Å; L20-S23 PolarHBondContact O-OG 2.88Å; L20-L24 VanDerWaalsContact O-CB 3.24Å; L20-L24 WeakPolarHBondContact O-CB 3.17Å; L20-L24 PolarHBondContact O-N 2.95Å |
| 21 | M | 94.3 | Very high | 90.9 | Very high | 111 Ų | 111 | 103 Ų | 103 | 55% | 0.547 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -68.3 | -36 | -179.6 | -69.8 | -67.6 | 159.3 | 0 | 0 | 112.1 | I17 K18 E19 H25 | I17-M21 HydrophobicContact CG2-CG 4.3Å; I17-M21 WeakPolarHBondContact O-CB 3.35Å; I17-M21 WeakPolarHBondContact O-CG 3.42Å; I17-M21 PolarHBondContact O-N 2.94Å; K18-M21 PolarHBondContact O-N 3.25Å; E19-M21 VanDerWaalsContact C-N 3.34Å; E19-M21 PolarHBondContact O-N 3.44Å; M21-H25 WeakPolarHBondContact O-CB 3.15Å; M21-H25 PolarHBondContact O-N 3.38Å |
| 22 | L | 95.9 | Very high | 91 | Very high | 109 Ų | 109 | 103.3 Ų | 103.3 | 57% | 0.571 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -68.9 | -45 | 176.1 | -72.2 | 170.7 | 0 | 0 | 0 | 111.8 | K18 E19 H25 E26 | K18-L22 HydrophobicContact CG-CD1 4.39Å; K18-L22 VanDerWaalsContact O-CG 3.31Å; K18-L22 WeakPolarHBondContact O-CG 3.44Å; K18-L22 PolarHBondContact O-N 3.32Å; K18-L22 VanDerWaalsContact O-N 3.08Å; E19-L22 PolarHBondContact O-N 2.9Å; L22-H25 PolarHBondContact O-N 3.26Å; L22-E26 PolarHBondContact O-N 3.39Å |
| 23 | S | 93.9 | Very high | 90.8 | Very high | 60 Ų | 60 | 103.1 Ų | 103.1 | 42% | 0.42 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.7 | -38.7 | 176.5 | 53.8 | 0 | 0 | 0 | 0 | 112.2 | E19 L20 E26 Y27 | E19-S23 WeakPolarHBondContact O-CB 3.44Å; E19-S23 PolarHBondContact O-N 2.98Å; E19-S23 PolarHBondContact O-OG 3.32Å; L20-S23 WeakPolarHBondContact CA-OG 3.39Å; L20-S23 PolarHBondContact O-N 3.43Å; L20-S23 PolarHBondContact O-OG 2.88Å; S23-E26 PolarHBondContact O-N 3.13Å; S23-Y27 WeakPolarHBondContact O-CB 3.48Å; S23-Y27 PolarHBondContact O-N 3.37Å |
| 24 | L | 92.6 | Very high | 90.4 | Very high | 86 Ų | 86 | 102.7 Ų | 102.7 | 45% | 0.45 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63 | -42.6 | 173.8 | 179.9 | 63.1 | 0 | 0 | 0 | 111.8 | L20 E26 Y27 V28 | L20-L24 VanDerWaalsContact O-CB 3.24Å; L20-L24 WeakPolarHBondContact O-CB 3.17Å; L20-L24 PolarHBondContact O-N 2.95Å; L24-E26 VanDerWaalsContact C-N 3.31Å; L24-E26 PolarHBondContact O-N 2.86Å; L24-Y27 PolarHBondContact O-N 2.69Å; L24-V28 HydrophobicContact CD1-CG2 4.08Å; L24-V28 HydrophobicContact CG-CG2 4.35Å; L24-V28 WeakPolarHBondContact O-CB 3.39Å; L24-V28 VanDerWaalsContact O-CG2 3.28Å; L24-V28 WeakPolarHBondContact O-CG2 3.48Å; L24-V28 PolarHBondContact O-N 3.02Å |
| 25 | H | 90.6 | Very high | 89.6 | Confident | 102 Ų | 102 | 101.9 Ų | 101.9 | 47% | 0.472 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.9 | -41 | 176.1 | 174.6 | 74.8 | 0 | 0 | 0 | 112.2 | M21 L22 R29 | M21-H25 WeakPolarHBondContact O-CB 3.15Å; M21-H25 PolarHBondContact O-N 3.38Å; L22-H25 PolarHBondContact O-N 3.26Å; H25-R29 PolarHBondContact NE2-NE 3.29Å; H25-R29 VanDerWaalsContact NE2-NE 3.2Å; H25-R29 PolarHBondContact NE2-NH2 2.98Å; H25-R29 PolarHBondContact O-N 3.04Å; H25-R29 VanDerWaalsContact O-N 3.1Å |
| 26 | E | 93.9 | Very high | 88.8 | Confident | 112 Ų | 112 | 101.9 Ų | 101.9 | 52% | 0.523 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.7 | -46 | 174.7 | -175.6 | 160.3 | -153.8 | 0 | 0 | 111.8 | L22 S23 L24 V28 R29 Q30 | L22-E26 PolarHBondContact O-N 3.39Å; S23-E26 PolarHBondContact O-N 3.13Å; L24-E26 VanDerWaalsContact C-N 3.31Å; L24-E26 PolarHBondContact O-N 2.86Å; E26-V28 PolarHBondContact O-N 3.48Å; E26-R29 PolarHBondContact O-N 2.85Å; E26-Q30 WeakPolarHBondContact O-CG 3.38Å; E26-Q30 PolarHBondContact O-N 2.89Å; E26-Q30 PolarHBondContact OE1-NE2 2.87Å |
| 27 | Y | 90.9 | Very high | 87.7 | Confident | 118 Ų | 118 | 103 Ų | 103 | 46% | 0.463 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -57.5 | -48.9 | 175.7 | 178.6 | -93.2 | 0 | 0 | 0 | 112.3 | S23 L24 R29 Q30 H31 H32 | S23-Y27 WeakPolarHBondContact O-CB 3.48Å; S23-Y27 PolarHBondContact O-N 3.37Å; L24-Y27 PolarHBondContact O-N 2.69Å; Y27-R29 VanDerWaalsContact C-N 3.32Å; Y27-R29 PolarHBondContact O-N 2.76Å; Y27-Q30 PolarHBondContact O-N 2.82Å; Y27-Q30 VanDerWaalsContact O-N 3.14Å; Y27-H31 AromaticContact CD2-CD2 3.32Å; Y27-H31 WeakPolarHBondContact CD2-CD2 3.37Å; Y27-H31 AromaticContact CD2-NE2 3.85Å; Y27-H31 HydrophobicContact CE1-CB 4.32Å; Y27-H31 HydrophobicContact CE2-CB 4.45Å; Y27-H31 AromaticContact CE2-CD2 3.3Å; Y27-H31 WeakPolarHBondContact CE2-CD2 3.47Å; Y27-H31 AromaticContact CE2-CG 3.88Å; Y27-H31 AromaticContact CE2-NE2 3.72Å; Y27-H31 AromaticContact CG-CD2 3.95Å; Y27-H31 AromaticContact CZ-CD2 3.92Å; Y27-H31 WeakPolarHBondContact O-CB 3.37Å; Y27-H31 PolarHBondContact O-CD2 2.9Å; Y27-H31 PolarHBondContact O-N 2.93Å; Y27-H32 AromaticContact CE1-NE2 3.96Å |
| 28 | V | 91.1 | Very high | 86.1 | Confident | 43 Ų | 43 | 111.9 Ų | 111.9 | 26% | 0.261 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -62.6 | -40.2 | 179.5 | 171.5 | 0 | 0 | 0 | 0 | 110.9 | L24 E26 Q30 H32 L36 | L24-V28 HydrophobicContact CD1-CG2 4.08Å; L24-V28 HydrophobicContact CG-CG2 4.35Å; L24-V28 WeakPolarHBondContact O-CB 3.39Å; L24-V28 VanDerWaalsContact O-CG2 3.28Å; L24-V28 WeakPolarHBondContact O-CG2 3.48Å; L24-V28 PolarHBondContact O-N 3.02Å; E26-V28 PolarHBondContact O-N 3.48Å; V28-Q30 VanDerWaalsContact C-N 3.32Å; V28-Q30 PolarHBondContact O-N 2.9Å; V28-H32 HydrophobicContact CG1-CB 4.17Å; V28-H32 CarbonylContact O-C 3.42Å; V28-H32 WeakPolarHBondContact O-CA 3.45Å; V28-H32 WeakPolarHBondContact O-CB 3.34Å; V28-H32 PolarHBondContact O-N 3.46Å; V28-L36 HydrophobicContact CG1-CD1 4.46Å |
| 29 | R | 86 | Confident | 84.4 | Confident | 170 Ų | 170 | 110 Ų | 110 | 64% | 0.642 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -66.5 | -32 | 175.7 | -81.9 | -155.5 | -71.6 | 175 | -2.5 | 113.5 | H25 E26 Y27 T33 | H25-R29 PolarHBondContact NE2-NE 3.29Å; H25-R29 VanDerWaalsContact NE2-NE 3.2Å; H25-R29 PolarHBondContact NE2-NH2 2.98Å; H25-R29 PolarHBondContact O-N 3.04Å; H25-R29 VanDerWaalsContact O-N 3.1Å; E26-R29 PolarHBondContact O-N 2.85Å; Y27-R29 VanDerWaalsContact C-N 3.32Å; Y27-R29 PolarHBondContact O-N 2.76Å; R29-T33 VanDerWaalsContact O-CG2 3.3Å; R29-T33 WeakPolarHBondContact O-CG2 3.29Å |
| 30 | Q | 89.9 | Confident | 82.6 | Confident | 122 Ų | 122 | 107.8 Ų | 107.8 | 57% | 0.57 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -80.6 | -38.4 | 179.1 | -70 | 177.8 | 12.2 | 0 | 0 | 112.5 | E26 Y27 V28 | E26-Q30 WeakPolarHBondContact O-CG 3.38Å; E26-Q30 PolarHBondContact O-N 2.89Å; E26-Q30 PolarHBondContact OE1-NE2 2.87Å; Y27-Q30 PolarHBondContact O-N 2.82Å; Y27-Q30 VanDerWaalsContact O-N 3.14Å; V28-Q30 VanDerWaalsContact C-N 3.32Å; V28-Q30 PolarHBondContact O-N 2.9Å |
| 31 | H | 83.1 | Confident | 80.7 | Confident | 111 Ų | 111 | 108.5 Ų | 108.5 | 51% | 0.514 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -107.6 | -15.8 | -169.2 | -66.6 | -78.4 | 0 | 0 | 0 | 114.9 | Y27 | Y27-H31 AromaticContact CD2-CD2 3.32Å; Y27-H31 WeakPolarHBondContact CD2-CD2 3.37Å; Y27-H31 AromaticContact CD2-NE2 3.85Å; Y27-H31 HydrophobicContact CE1-CB 4.32Å; Y27-H31 HydrophobicContact CE2-CB 4.45Å; Y27-H31 AromaticContact CE2-CD2 3.3Å; Y27-H31 WeakPolarHBondContact CE2-CD2 3.47Å; Y27-H31 AromaticContact CE2-CG 3.88Å; Y27-H31 AromaticContact CE2-NE2 3.72Å; Y27-H31 AromaticContact CG-CD2 3.95Å; Y27-H31 AromaticContact CZ-CD2 3.92Å; Y27-H31 WeakPolarHBondContact O-CB 3.37Å; Y27-H31 PolarHBondContact O-CD2 2.9Å; Y27-H31 PolarHBondContact O-N 2.93Å |
| 32 | H | 82.5 | Confident | 78.3 | Confident | 51 Ų | 51 | 109.7 Ų | 109.7 | 24% | 0.236 | 57% | 0.571 | C | S | . | * | trans | -131.7 | 52.1 | -175.6 | -61.7 | -61.2 | 0 | 0 | 0 | 112.1 | Y27 V28 T34 G35 | Y27-H32 AromaticContact CE1-NE2 3.96Å; V28-H32 HydrophobicContact CG1-CB 4.17Å; V28-H32 CarbonylContact O-C 3.42Å; V28-H32 WeakPolarHBondContact O-CA 3.45Å; V28-H32 WeakPolarHBondContact O-CB 3.34Å; V28-H32 PolarHBondContact O-N 3.46Å; H32-T34 PolarHBondContact O-N 3.01Å; H32-G35 PolarHBondContact O-N 2.74Å | ||
| 33 | T | 80.6 | Confident | 76.1 | Confident | 117 Ų | 117 | 107.6 Ų | 107.6 | 72% | 0.718 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.4 | -22.1 | -175.8 | 52.7 | 0 | 0 | 0 | 0 | 114.7 | R29 | R29-T33 VanDerWaalsContact O-CG2 3.3Å; R29-T33 WeakPolarHBondContact O-CG2 3.29Å |
| 34 | T | 79.1 | Confident | 74 | Confident | 137 Ų | 137 | 108 Ų | 108 | 84% | 0.84 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.6 | 8.4 | 179.8 | 51.4 | 0 | 0 | 0 | 0 | 113.5 | H32 | H32-T34 PolarHBondContact O-N 3.01Š|
| 35 | G | 73 | Confident | 71.9 | Confident | 37 Ų | 37 | 109.5 Ų | 109.5 | 38% | 0.381 | 60% | 0.596 | S | S | . | * | trans | 117.9 | 162.8 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | H32 V37 | H32-G35 PolarHBondContact O-N 2.74Å; G35-V37 PolarHBondContact O-N 3.16Å | ||
| 36 | L | 73.3 | Confident | 69.5 | Low | 141 Ų | 141 | 110.8 Ų | 110.8 | 74% | 0.738 | 61% | 0.613 | S | S | * | * | trans | -71.2 | 122.7 | 175.7 | -87.9 | 102.8 | 0 | 0 | 0 | 110.1 | V28 | V28-L36 HydrophobicContact CG1-CD1 4.46Š| ||
| 37 | V | 70.5 | Confident | 67 | Low | 85 Ų | 85 | 114.2 Ų | 114.2 | 52% | 0.515 | 63% | 0.632 | S | S | . | * | trans | -104.8 | 121.7 | 174.4 | -178.5 | 0 | 0 | 0 | 0 | 107.9 | G35 | G35-V37 PolarHBondContact O-N 3.16Š| ||
| 38 | W | 60.1 | Low | 64.5 | Low | 247 Ų | 247 | 114.7 Ų | 114.7 | 94% | 0.936 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -96.2 | 129.7 | 170.1 | -167.8 | -97.9 | 0 | 0 | 0 | 108.3 | ||
| 39 | N | 58.3 | Low | 62 | Low | 107 Ų | 107 | 120 Ų | 120 | 57% | 0.572 | 68% | 0.678 | S | S | * | * | trans | 67.1 | 59.1 | 176.4 | -145.9 | 32.4 | 0 | 0 | 0 | 114.5 | D41 | N39-D41 PolarHBondContact O-N 3.11Š| ||
| 40 | S | 59.2 | Low | 59.7 | Low | 95 Ų | 95 | 122.4 Ų | 122.4 | 66% | 0.664 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -61.2 | -11.2 | -179.5 | -38.7 | 0 | 0 | 0 | 0 | 114.9 | ||
| 41 | D | 56.3 | Low | 57.1 | Low | 118 Ų | 118 | 125.8 Ų | 125.8 | 63% | 0.631 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -114.1 | 111.6 | 174.5 | -85 | -48.2 | 0 | 0 | 0 | 110.8 | N39 G43 | N39-D41 PolarHBondContact O-N 3.11Å; D41-G43 VanDerWaalsContact C-N 3.33Å; D41-G43 PolarHBondContact O-N 3.23Å |
| 42 | P | 43.4 | Very low | 54.8 | Low | 135 Ų | 135 | 126.1 Ų | 126.1 | 88% | 0.877 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.8 | 90.9 | 169.9 | 28.9 | -28.8 | 0 | 0 | 0 | 108.8 | ||
| 43 | G | 50.6 | Low | 52.4 | Low | 66 Ų | 66 | 127.8 Ų | 127.8 | 68% | 0.68 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 152.2 | -6.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 117.4 | D41 T45 | D41-G43 VanDerWaalsContact C-N 3.33Å; D41-G43 PolarHBondContact O-N 3.23Å; G43-T45 PolarHBondContact O-N 3.48Å; G43-T45 VanDerWaalsContact O-N 3.09Å |
| 44 | A | 48.6 | Very low | 50 | Low | 69 Ų | 69 | 125.9 Ų | 125.9 | 57% | 0.57 | 75% | 0.749 | S | S | * | * | trans | -81.3 | 90.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 45 | T | 47.9 | Very low | 48 | Very low | 117 Ų | 117 | 124.1 Ų | 124.1 | 72% | 0.718 | 75% | 0.748 | S | S | * | * | trans | -68.2 | 138.3 | 164 | 51.8 | 0 | 0 | 0 | 0 | 110.2 | G43 M47 | G43-T45 PolarHBondContact O-N 3.48Å; G43-T45 VanDerWaalsContact O-N 3.09Å; T45-M47 PolarHBondContact O-N 3.36Å | ||
| 46 | P | 42.1 | Very low | 46.4 | Very low | 128 Ų | 128 | 128.4 Ų | 128.4 | 83% | 0.831 | 77% | 0.77 | S | S | * | * | trans | -65 | 111.3 | 173.2 | 25.7 | -30.6 | 0 | 0 | 0 | 109.1 | C48 | P46-C48 PolarHBondContact O-N 3.16Š| ||
| 47 | M | 39.8 | Very low | 45 | Very low | 185 Ų | 185 | 128 Ų | 128 | 91% | 0.911 | 77% | 0.773 | S | S | * | * | trans | -69.8 | 99.7 | -177.6 | -137.4 | -179.7 | -160.3 | 0 | 0 | 109.3 | T45 N49 | T45-M47 PolarHBondContact O-N 3.36Å; M47-N49 PolarHBondContact O-N 3.28Å | ||
| 48 | C | 39.8 | Very low | 43.7 | Very low | 128 Ų | 128 | 129.4 Ų | 129.4 | 87% | 0.865 | 78% | 0.784 | S | S | * | * | trans | -79.1 | 103.9 | 162.9 | -158.3 | 0 | 0 | 0 | 0 | 107.3 | P46 | P46-C48 PolarHBondContact O-N 3.16Š| ||
| 49 | N | 37.1 | Very low | 43.1 | Very low | 153 Ų | 153 | 123.2 Ų | 123.2 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | trans | -145.6 | 122.1 | 158.5 | -148.9 | 19 | 0 | 0 | 0 | 112.4 | M47 | M47-N49 PolarHBondContact O-N 3.28Š| ||
| 50 | R | 37.9 | Very low | 42.3 | Very low | 222 Ų | 222 | 123.8 Ų | 123.8 | 84% | 0.838 | 79% | 0.785 | S | S | * | * | trans | -81.2 | 132.5 | 169.5 | -70.7 | 173.3 | 166.6 | 177.5 | -4.9 | 108.8 | ||||
| 51 | K | 35.9 | Very low | 41.7 | Very low | 192 Ų | 192 | 125 Ų | 125 | 84% | 0.835 | 79% | 0.791 | S | S | * | * | 162.4 | 141.9 | 108.4 | -86.9 | -172 | -178.5 | -179.8 | 0 | 113.8 | |||||
| 52 | S | 35.4 | Very low | 41.1 | Very low | 119 Ų | 119 | 125 Ų | 125 | 83% | 0.832 | 80% | 0.797 | S | S | * | * | trans | 71.4 | 114.9 | 147 | 58.7 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 53 | G | 30.6 | Very low | 41 | Very low | 85 Ų | 85 | 124.4 Ų | 124.4 | 88% | 0.876 | 79% | 0.793 | S | S | * | * | 115.8 | 114.7 | 123.1 | 0 | 0 | 0 | 0 | 0 | 118.2 | |||||
| 54 | G | 31.1 | Very low | 40.7 | Very low | 78 Ų | 78 | 126.9 Ų | 126.9 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | trans | 137.3 | 102.7 | 150.1 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 55 | A | 36.9 | Very low | 40.2 | Very low | 99 Ų | 99 | 129.8 Ų | 129.8 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | trans | 65.8 | 145.6 | 148.7 | 0 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 56 | P | 40.8 | Very low | 39.7 | Very low | 128 Ų | 128 | 132.2 Ų | 132.2 | 83% | 0.831 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -90.8 | 145.4 | -174.1 | 36.3 | -31.3 | 0 | 0 | 0 | 113.3 | ||
| 57 | T | 43.4 | Very low | 39.3 | Very low | 133 Ų | 133 | 131.9 Ų | 131.9 | 82% | 0.816 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -88.3 | 148.6 | 173.7 | 50.2 | 0 | 0 | 0 | 0 | 112.2 | ||
| 58 | P | 42.7 | Very low | 39.1 | Very low | 114 Ų | 114 | 130.6 Ų | 130.6 | 74% | 0.74 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 159.1 | -172.4 | 30.9 | -34.9 | 0 | 0 | 0 | 113.8 | ||
| 59 | P | 47.2 | Very low | 38.9 | Very low | 117 Ų | 117 | 132.4 Ų | 132.4 | 76% | 0.76 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -77.7 | 152 | -177.8 | 31.7 | -33.7 | 0 | 0 | 0 | 112.8 | ||
| 60 | P | 42.8 | Very low | 38.7 | Very low | 119 Ų | 119 | 129.5 Ų | 129.5 | 77% | 0.773 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 155.7 | 179.9 | 30.9 | -33.8 | 0 | 0 | 0 | 113.1 | ||
| 61 | P | 46.2 | Very low | 38.6 | Very low | 120 Ų | 120 | 125 Ų | 125 | 78% | 0.779 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 158.2 | -176.9 | 31.2 | -34.2 | 0 | 0 | 0 | 113.4 | ||
| 62 | P | 43.3 | Very low | 38.4 | Very low | 118 Ų | 118 | 121.3 Ų | 121.3 | 77% | 0.766 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -81.1 | 152.9 | -176 | 32.6 | -33.3 | 0 | 0 | 0 | 113 | ||
| 63 | P | 40.7 | Very low | 38.5 | Very low | 122 Ų | 122 | 125.5 Ų | 125.5 | 79% | 0.792 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -80.4 | 153.3 | -180 | 31.5 | -32.7 | 0 | 0 | 0 | 113.2 | ||
| 64 | P | 44.9 | Very low | 38.8 | Very low | 119 Ų | 119 | 127.7 Ų | 127.7 | 77% | 0.773 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -81.8 | 162 | 178.5 | 32.8 | -33.3 | 0 | 0 | 0 | 113.5 | ||
| 65 | P | 38.8 | Very low | 39.5 | Very low | 130 Ų | 130 | 130.2 Ų | 130.2 | 84% | 0.844 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -87.7 | 151.9 | -169.5 | 34 | -32.6 | 0 | 0 | 0 | 114.3 | ||
| 66 | I | 36.9 | Very low | 40.2 | Very low | 167 Ų | 167 | 128.4 Ų | 128.4 | 86% | 0.856 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -89.2 | 135.2 | 178.9 | -63.4 | 168.7 | 0 | 0 | 0 | 110.6 | ||
| 67 | S | 33.4 | Very low | 40.9 | Very low | 121 Ų | 121 | 127.7 Ų | 127.7 | 85% | 0.846 | 80% | 0.8 | S | S | * | * | trans | -107 | 138.4 | 167.7 | -99.7 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 68 | L | 35.9 | Very low | 41.1 | Very low | 158 Ų | 158 | 124.1 Ų | 124.1 | 83% | 0.827 | 79% | 0.79 | S | S | * | * | trans | -79.2 | 155.5 | 176.2 | -67.3 | 156.9 | 0 | 0 | 0 | 111.4 | ||||
| 69 | I | 34.3 | Very low | 41.5 | Very low | 167 Ų | 167 | 122.8 Ų | 122.8 | 86% | 0.856 | 79% | 0.788 | S | S | * | * | 163.7 | 124.1 | 127.3 | -81.3 | 156.1 | 0 | 0 | 0 | 114.1 | |||||
| 70 | A | 32.7 | Very low | 41.8 | Very low | 92 Ų | 92 | 122.9 Ų | 122.9 | 76% | 0.76 | 78% | 0.782 | S | S | * | * | trans | 63.3 | 153.8 | 138.2 | 0 | 0 | 0 | 0 | 0 | 125.5 | ||||
| 71 | P | 37.2 | Very low | 42.5 | Very low | 126 Ų | 126 | 123.1 Ų | 123.1 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | trans | -115 | 165.6 | -153.5 | 40.6 | -27.7 | 0 | 0 | 0 | 115.6 | ||||
| 72 | S | 31.5 | Very low | 42.9 | Very low | 115 Ų | 115 | 124.8 Ų | 124.8 | 80% | 0.804 | 77% | 0.773 | S | S | * | * | trans | -147.8 | 126.5 | 158.6 | 59.7 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 73 | K | 38.3 | Very low | 43.5 | Very low | 208 Ų | 208 | 122.4 Ų | 122.4 | 90% | 0.904 | 76% | 0.759 | S | S | * | * | trans | 40.5 | 136.8 | 154.4 | -61.4 | -177.1 | -177.8 | 178.7 | 0 | 123 | ||||
| 74 | P | 36.9 | Very low | 44.1 | Very low | 130 Ų | 130 | 123.1 Ų | 123.1 | 84% | 0.844 | 76% | 0.756 | S | S | * | * | trans | -94.8 | 147.9 | -173 | 37.4 | -33.1 | 0 | 0 | 0 | 114.3 | ||||
| 75 | S | 44.2 | Very low | 44.7 | Very low | 131 Ų | 131 | 124.5 Ų | 124.5 | 92% | 0.916 | 76% | 0.757 | S | S | * | * | trans | -147.1 | 137.7 | 157.2 | 179.2 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 76 | G | 51.2 | Low | 45.6 | Very low | 62 Ų | 62 | 122.5 Ų | 122.5 | 64% | 0.639 | 74% | 0.742 | S | S | * | * | S | Bend | trans | 112.5 | 38.3 | 145.8 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||
| 77 | V | 55.6 | Low | 46.6 | Very low | 112 Ų | 112 | 117.5 Ų | 117.5 | 68% | 0.679 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -136.1 | -13.8 | 162.5 | -71.5 | 0 | 0 | 0 | 0 | 115.5 | A79 L80 | V77-A79 PolarHBondContact O-N 3.26Å; V77-L80 PolarHBondContact O-N 3.3Å |
| 78 | G | 48.9 | Very low | 47.6 | Very low | 59 Ų | 59 | 119.4 Ų | 119.4 | 61% | 0.608 | 73% | 0.732 | S | S | * | * | H | α-helix | trans | -65.4 | -33.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | L80 | G78-L80 VanDerWaalsContact C-N 3.31Å; G78-L80 PolarHBondContact O-N 3.46Å |
| 79 | A | 51.4 | Low | 48.5 | Very low | 86 Ų | 86 | 115.5 Ų | 115.5 | 71% | 0.711 | 72% | 0.717 | S | S | * | * | H | α-helix | trans | -72 | -21.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | V77 | V77-A79 PolarHBondContact O-N 3.26Å |
| 80 | L | 53.6 | Low | 49.3 | Very low | 119 Ų | 119 | 111 Ų | 111 | 62% | 0.623 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -85.3 | -32.9 | -177.2 | -85.7 | 160.8 | 0 | 0 | 0 | 112.5 | V77 G78 S83 | V77-L80 PolarHBondContact O-N 3.3Å; G78-L80 VanDerWaalsContact C-N 3.31Å; G78-L80 PolarHBondContact O-N 3.46Å; L80-S83 PolarHBondContact O-N 3.44Å; L80-S83 PolarHBondContact O-OG 2.78Å |
| 81 | L | 55.9 | Low | 50.2 | Low | 123 Ų | 123 | 111.1 Ų | 111.1 | 64% | 0.644 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -75.8 | -24.7 | 178.3 | -82.1 | 152.4 | 0 | 0 | 0 | 113 | L84 | L81-L84 PolarHBondContact O-N 2.81Å |
| 82 | E | 54.8 | Low | 51.3 | Low | 156 Ų | 156 | 109.9 Ų | 109.9 | 73% | 0.729 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -73.4 | -30.9 | 174.7 | -162.9 | 158.2 | -152.2 | 0 | 0 | 112.2 | L84 | E82-L84 VanDerWaalsContact C-N 3.29Å; E82-L84 PolarHBondContact O-N 3.4Å |
| 83 | S | 55.6 | Low | 52.6 | Low | 67 Ų | 67 | 115.7 Ų | 115.7 | 47% | 0.469 | 70% | 0.695 | S | S | . | * | H | α-helix | trans | -69.3 | -24.9 | 175.2 | 73.5 | 0 | 0 | 0 | 0 | 114.1 | L80 T86 | L80-S83 PolarHBondContact O-N 3.44Å; L80-S83 PolarHBondContact O-OG 2.78Å; S83-T86 PolarHBondContact O-OG1 2.63Å |
| 84 | L | 55 | Low | 53.6 | Low | 137 Ų | 137 | 111.9 Ų | 111.9 | 72% | 0.717 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -88.6 | -12.7 | -176.2 | -74.7 | 166.5 | 0 | 0 | 0 | 113.7 | L81 E82 T86 | L81-L84 PolarHBondContact O-N 2.81Å; E82-L84 VanDerWaalsContact C-N 3.29Å; E82-L84 PolarHBondContact O-N 3.4Å; L84-T86 VanDerWaalsContact C-N 3.31Å; L84-T86 PolarHBondContact O-N 2.87Å |
| 85 | N | 56.8 | Low | 54.9 | Low | 148 Ų | 148 | 115.5 Ų | 115.5 | 79% | 0.791 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.6 | 18.3 | 176.4 | -91.1 | -20.7 | 0 | 0 | 0 | 114 | G87 | N85-G87 VanDerWaalsContact C-N 3.3Å; N85-G87 PolarHBondContact O-N 2.82Å |
| 86 | T | 57.1 | Low | 55.8 | Low | 89 Ų | 89 | 118.6 Ų | 118.6 | 55% | 0.546 | 68% | 0.683 | S | S | . | * | trans | -83.5 | 72.2 | 174.1 | 45.2 | 0 | 0 | 0 | 0 | 111.5 | S83 L84 | S83-T86 PolarHBondContact O-OG1 2.63Å; L84-T86 VanDerWaalsContact C-N 3.31Å; L84-T86 PolarHBondContact O-N 2.87Å | ||
| 87 | G | 57.9 | Low | 56 | Low | 61 Ų | 61 | 119.8 Ų | 119.8 | 63% | 0.629 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.5 | 155 | 168.3 | 0 | 0 | 0 | 0 | 0 | 113 | N85 S89 | N85-G87 VanDerWaalsContact C-N 3.3Å; N85-G87 PolarHBondContact O-N 2.82Å; G87-S89 PolarHBondContact O-N 2.82Å |
| 88 | L | 53.9 | Low | 56.7 | Low | 162 Ų | 162 | 117.5 Ų | 117.5 | 85% | 0.848 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 52.1 | -20.9 | 178.6 | -81.5 | 149.2 | 0 | 0 | 0 | 118.4 | A90 T91 | L88-A90 VanDerWaalsContact C-N 3.33Å; L88-A90 PolarHBondContact O-N 3.1Å; L88-T91 PolarHBondContact O-OG1 3.13Å |
| 89 | S | 54.7 | Low | 57.2 | Low | 75 Ų | 75 | 118.5 Ų | 118.5 | 52% | 0.524 | 66% | 0.661 | S | S | . | * | G | 310 helix | trans | -79.6 | -12.4 | 178.4 | -65.4 | 0 | 0 | 0 | 0 | 113.6 | G87 T91 S92 | G87-S89 PolarHBondContact O-N 2.82Å; S89-T91 PolarHBondContact O-N 2.87Å; S89-S92 WeakPolarHBondContact O-CB 3.3Å; S89-S92 PolarHBondContact O-N 2.96Å |
| 90 | A | 52.8 | Low | 57.6 | Low | 74 Ų | 74 | 120.9 Ų | 120.9 | 61% | 0.612 | 66% | 0.657 | S | S | * | * | G | 310 helix | trans | -65.2 | -20.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | L88 S92 | L88-A90 VanDerWaalsContact C-N 3.33Å; L88-A90 PolarHBondContact O-N 3.1Å; A90-S92 VanDerWaalsContact C-N 3.35Å |
| 91 | T | 51.5 | Low | 57.9 | Low | 93 Ų | 93 | 121.3 Ų | 121.3 | 57% | 0.571 | 66% | 0.657 | S | S | * | * | G | 310 helix | trans | -80.3 | -15.2 | 178.1 | 63.7 | 0 | 0 | 0 | 0 | 113.5 | L88 S89 R93 L94 | L88-T91 PolarHBondContact O-OG1 3.13Å; S89-T91 PolarHBondContact O-N 2.87Å; T91-R93 PolarHBondContact O-N 2.86Å; T91-L94 PolarHBondContact O-N 2.8Å |
| 92 | S | 58.9 | Low | 58.3 | Low | 100 Ų | 100 | 119.2 Ų | 119.2 | 70% | 0.699 | 64% | 0.644 | S | S | * | * | G | 310 helix | trans | -74.1 | -12.1 | 178.4 | -53.5 | 0 | 0 | 0 | 0 | 113.7 | S89 A90 | S89-S92 WeakPolarHBondContact O-CB 3.3Å; S89-S92 PolarHBondContact O-N 2.96Å; A90-S92 VanDerWaalsContact C-N 3.35Å |
| 93 | R | 60.5 | Low | 58.4 | Low | 237 Ų | 237 | 116.6 Ų | 116.6 | 89% | 0.894 | 64% | 0.639 | S | S | * | * | G | 310 helix | trans | -90.6 | -4.1 | 177.5 | -65.2 | -171.8 | -176.6 | -143.9 | 2 | 113.7 | T91 | T91-R93 PolarHBondContact O-N 2.86Š|
| 94 | L | 58.3 | Low | 58.7 | Low | 128 Ų | 128 | 120.5 Ų | 120.5 | 67% | 0.67 | 65% | 0.649 | S | S | * | * | S | Bend | trans | -87.2 | 131.1 | 174.7 | -80.1 | 143.9 | 0 | 0 | 0 | 110 | T91 K96 | T91-L94 PolarHBondContact O-N 2.8Å; L94-K96 PolarHBondContact O-N 2.85Å |
| 95 | K | 63.4 | Low | 58.9 | Low | 206 Ų | 206 | 120.7 Ų | 120.7 | 90% | 0.896 | 64% | 0.644 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 117.1 | 178.4 | -157 | 177.8 | -174.6 | -176.8 | 0 | 108.9 | V97 | K95-V97 PolarHBondContact O-N 3.15Š|
| 96 | K | 63.8 | Low | 58.6 | Low | 196 Ų | 196 | 115.6 Ų | 115.6 | 85% | 0.852 | 62% | 0.617 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 129.6 | 178.6 | -74.1 | -174.3 | 177.7 | -179.1 | 0 | 110.1 | L94 T98 | L94-K96 PolarHBondContact O-N 2.85Å; K96-T98 PolarHBondContact O-N 2.79Å |
| 97 | V | 56.5 | Low | 58.7 | Low | 87 Ų | 87 | 116 Ų | 116 | 53% | 0.527 | 62% | 0.621 | S | S | . | * | P | Polyproline II helix | trans | -71.8 | 117.8 | 176.7 | -179.4 | 0 | 0 | 0 | 0 | 108.6 | K95 M101 Q102 | K95-V97 PolarHBondContact O-N 3.15Å; V97-M101 HydrophobicContact CG1-CB 3.54Å; V97-M101 HydrophobicContact CG1-CG 4.49Å; V97-M101 HydrophobicContact CG1-SD 4.32Å; V97-Q102 HydrophobicContact CG1-CG 4.33Å |
| 98 | T | 69.4 | Low | 58.9 | Low | 64 Ų | 64 | 118 Ų | 118 | 39% | 0.393 | 62% | 0.621 | S | S | . | * | P | Polyproline II helix | trans | -72.7 | 155.6 | 178.3 | 52.3 | 0 | 0 | 0 | 0 | 111 | K96 E100 M101 | K96-T98 PolarHBondContact O-N 2.79Å; T98-E100 PolarHBondContact O-N 2.85Å; T98-M101 WeakPolarHBondContact O-CB 3.41Å; T98-M101 PolarHBondContact O-N 3.31Å |
| 99 | P | 59.8 | Low | 58.8 | Low | 81 Ų | 81 | 114.8 Ų | 114.8 | 53% | 0.526 | 60% | 0.604 | S | S | . | * | G | 310 helix | trans | -55.6 | -24.8 | -178.3 | -25.5 | 34.5 | 0 | 0 | 0 | 114.6 | M101 Q102 | P99-M101 VanDerWaalsContact C-N 3.29Å; P99-M101 PolarHBondContact O-N 2.8Å; P99-Q102 PolarHBondContact O-N 2.88Å |
| 100 | E | 59 | Low | 58.8 | Low | 135 Ų | 135 | 117.9 Ų | 117.9 | 63% | 0.631 | 60% | 0.604 | S | S | * | * | G | 310 helix | trans | -68.3 | -25.9 | 176.9 | -65.1 | 146.1 | -160 | 0 | 0 | 113.4 | T98 N106 | T98-E100 PolarHBondContact O-N 2.85Å; E100-N106 PolarHBondContact O-ND2 3.4Å |
| 101 | M | 60.2 | Low | 58.7 | Low | 129 Ų | 129 | 122.4 Ų | 122.4 | 64% | 0.635 | 61% | 0.613 | S | S | * | * | G | 310 helix | trans | -89.1 | -2.7 | 178.2 | -64.3 | 179.9 | 72.9 | 0 | 0 | 112.7 | V97 T98 P99 | V97-M101 HydrophobicContact CG1-CB 3.54Å; V97-M101 HydrophobicContact CG1-CG 4.49Å; V97-M101 HydrophobicContact CG1-SD 4.32Å; T98-M101 WeakPolarHBondContact O-CB 3.41Å; T98-M101 PolarHBondContact O-N 3.31Å; P99-M101 VanDerWaalsContact C-N 3.29Å; P99-M101 PolarHBondContact O-N 2.8Å |
| 102 | Q | 63.4 | Low | 58.5 | Low | 78 Ų | 78 | 124 Ų | 124 | 36% | 0.364 | 62% | 0.623 | S | S | . | * | trans | -92.2 | 110.1 | 176.5 | -63.2 | -179.7 | -1.7 | 0 | 0 | 109 | V97 P99 H104 K105 N106 | V97-Q102 HydrophobicContact CG1-CG 4.33Å; P99-Q102 PolarHBondContact O-N 2.88Å; Q102-H104 PolarHBondContact O-N 3Å; Q102-K105 PolarHBondContact O-N 3.13Å; Q102-N106 PolarHBondContact O-N 3.11Å | ||
| 103 | T | 58.2 | Low | 58.1 | Low | 101 Ų | 101 | 127.2 Ų | 127.2 | 62% | 0.62 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.1 | -18.8 | -178.3 | 53.2 | 0 | 0 | 0 | 0 | 114 | R110 | T103-R110 PolarHBondContact O-NE 3.19Š|
| 104 | H | 60.7 | Low | 57.2 | Low | 149 Ų | 149 | 118.8 Ų | 118.8 | 69% | 0.69 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.1 | -18.8 | 175.1 | -164.6 | -90.4 | 0 | 0 | 0 | 114.1 | Q102 R110 | Q102-H104 PolarHBondContact O-N 3Å; H104-R110 PolarHBondContact CD2-NH2 2.99Å; H104-R110 PolarHBondContact NE2-NH2 3.3Å; H104-R110 PolarHBondContact O-NH2 2.95Å |
| 105 | K | 60.1 | Low | 56.2 | Low | 141 Ų | 141 | 122 Ų | 122 | 61% | 0.613 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.1 | -10.1 | -174.8 | -67.4 | -169.7 | 179.1 | -175.3 | 0 | 114.8 | Q102 | Q102-K105 PolarHBondContact O-N 3.13Š|
| 106 | N | 50.8 | Low | 55.2 | Low | 42 Ų | 42 | 120 Ų | 120 | 23% | 0.225 | 63% | 0.626 | C | S | . | * | trans | -110.7 | 105.3 | 178.1 | -167.9 | -11.7 | 0 | 0 | 0 | 110.7 | E100 Q102 V108 L109 | E100-N106 PolarHBondContact O-ND2 3.4Å; Q102-N106 PolarHBondContact O-N 3.11Å; N106-V108 PolarHBondContact O-N 2.81Å; N106-V108 PolarHBondContact OD1-N 3.08Å; N106-L109 HydrophobicContact CB-CD1 4.14Å; N106-L109 HydrophobicContact CB-CG 4.47Å; N106-L109 PolarHBondContact O-N 3.07Å | ||
| 107 | P | 59.4 | Low | 54 | Low | 96 Ų | 96 | 117.9 Ų | 117.9 | 62% | 0.623 | 62% | 0.624 | S | S | * | * | G | 310 helix | trans | -60.9 | -29.1 | -176.3 | -21.8 | 32.1 | 0 | 0 | 0 | 114.1 | L109 R110 | P107-L109 VanDerWaalsContact C-N 3.28Å; P107-L109 PolarHBondContact O-N 3.47Å; P107-R110 PolarHBondContact O-N 3.03Å; P107-R110 VanDerWaalsContact O-N 3.16Å |
| 108 | V | 60.8 | Low | 53.5 | Low | 105 Ų | 105 | 124.1 Ų | 124.1 | 64% | 0.636 | 64% | 0.638 | S | S | * | * | G | 310 helix | trans | -68 | -27.3 | -178.2 | -177.5 | 0 | 0 | 0 | 0 | 112.2 | N106 R110 | N106-V108 PolarHBondContact O-N 2.81Å; N106-V108 PolarHBondContact OD1-N 3.08Å; V108-R110 VanDerWaalsContact C-N 3.3Å; V108-R110 PolarHBondContact O-N 2.93Å |
| 109 | L | 52.1 | Low | 52 | Low | 94 Ų | 94 | 130 Ų | 130 | 49% | 0.492 | 66% | 0.658 | S | S | . | * | G | 310 helix | trans | -80.5 | -8 | 176.9 | -70 | 173 | 0 | 0 | 0 | 113.4 | N106 P107 | N106-L109 HydrophobicContact CB-CD1 4.14Å; N106-L109 HydrophobicContact CB-CG 4.47Å; N106-L109 PolarHBondContact O-N 3.07Å; P107-L109 VanDerWaalsContact C-N 3.28Å; P107-L109 PolarHBondContact O-N 3.47Å |
| 110 | R | 55.2 | Low | 51.3 | Low | 139 Ų | 139 | 133 Ų | 133 | 53% | 0.525 | 68% | 0.676 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -90.5 | -20.2 | 177.2 | -65.7 | -173.9 | -178.2 | -171.9 | 0.5 | 113.3 | T103 H104 P107 V108 V112 | T103-R110 PolarHBondContact O-NE 3.19Å; H104-R110 PolarHBondContact CD2-NH2 2.99Å; H104-R110 PolarHBondContact NE2-NH2 3.3Å; H104-R110 PolarHBondContact O-NH2 2.95Å; P107-R110 PolarHBondContact O-N 3.03Å; P107-R110 VanDerWaalsContact O-N 3.16Å; V108-R110 VanDerWaalsContact C-N 3.3Å; V108-R110 PolarHBondContact O-N 2.93Å; R110-V112 PolarHBondContact O-N 2.91Å |
| 111 | E | 50.5 | Low | 50.6 | Low | 169 Ų | 169 | 134.6 Ų | 134.6 | 79% | 0.79 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.1 | -9 | -173.9 | -71 | -169.5 | 154.2 | 0 | 0 | 114.8 | N113 | E111-N113 PolarHBondContact O-N 2.7Š|
| 112 | V | 47.6 | Very low | 50.2 | Low | 128 Ų | 128 | 137.7 Ų | 137.7 | 78% | 0.776 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.4 | 13.2 | -179.5 | -155.8 | 0 | 0 | 0 | 0 | 113.1 | R110 | R110-V112 PolarHBondContact O-N 2.91Š|
| 113 | N | 50 | Low | 49 | Very low | 166 Ų | 166 | 145.1 Ų | 145.1 | 89% | 0.888 | 72% | 0.72 | S | S | * | * | trans | -126.3 | 55.3 | 178.2 | -124.5 | 12.1 | 0 | 0 | 0 | 112.9 | E111 | E111-N113 PolarHBondContact O-N 2.7Š| ||
| 114 | G | 42.9 | Very low | 48.3 | Very low | 60 Ų | 60 | 149.8 Ų | 149.8 | 62% | 0.619 | 73% | 0.732 | S | S | * | * | trans | -140.6 | 91.9 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 115 | Q | 35.9 | Very low | 47.5 | Very low | 197 Ų | 197 | 148.9 Ų | 148.9 | 92% | 0.921 | 74% | 0.737 | S | S | * | * | trans | 154.2 | 101.6 | 136.4 | -83.7 | 172.6 | -15.9 | 0 | 0 | 111.3 | N117 | Q115-N117 PolarHBondContact O-N 3.48Š| ||
| 116 | M | 43.7 | Very low | 46.8 | Very low | 163 Ų | 163 | 147.5 Ų | 147.5 | 80% | 0.803 | 75% | 0.745 | S | S | * | * | trans | -66.9 | 107.6 | 162.4 | 179.3 | 176.8 | -177 | 0 | 0 | 108.3 | R118 | M116-R118 HydrophobicContact CE-CG 4.42Š| ||
| 117 | N | 37.3 | Very low | 46.6 | Very low | 151 Ų | 151 | 151.8 Ų | 151.8 | 81% | 0.807 | 76% | 0.764 | S | S | * | * | trans | -119.3 | 110.2 | 161.1 | -144.2 | 0.5 | 0 | 0 | 0 | 108.1 | Q115 K119 | Q115-N117 PolarHBondContact O-N 3.48Å; N117-K119 PolarHBondContact O-N 3.42Å; N117-K119 VanDerWaalsContact O-N 3.16Å | ||
| 118 | R | 46.7 | Very low | 45.9 | Very low | 219 Ų | 219 | 155.3 Ų | 155.3 | 83% | 0.826 | 78% | 0.777 | S | S | * | * | trans | -67.1 | 106.5 | 176.8 | -101.1 | 175.8 | 169.4 | 154 | -4.6 | 108.6 | M116 | M116-R118 HydrophobicContact CE-CG 4.42Š| ||
| 119 | K | 38.4 | Very low | 45.5 | Very low | 186 Ų | 186 | 157 Ų | 157 | 81% | 0.809 | 78% | 0.776 | S | S | * | * | trans | -122.2 | 124.2 | 150.9 | -83.9 | -173 | 175.4 | -176.9 | 0 | 108.4 | N117 E121 | N117-K119 PolarHBondContact O-N 3.42Å; N117-K119 VanDerWaalsContact O-N 3.16Å; K119-E121 PolarHBondContact O-N 3.42Å; K119-E121 VanDerWaalsContact O-N 3.11Å | ||
| 120 | T | 45.4 | Very low | 44.9 | Very low | 146 Ų | 146 | 161.6 Ų | 161.6 | 90% | 0.896 | 79% | 0.792 | S | S | * | * | trans | -70.6 | 96.6 | 177.5 | -41.2 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 121 | E | 42.5 | Very low | 44.4 | Very low | 167 Ų | 167 | 161 Ų | 161 | 78% | 0.78 | 81% | 0.806 | S | S | * | * | trans | -121 | 122.6 | 163.3 | -80.2 | -178.2 | 173.5 | 0 | 0 | 107.9 | K119 R123 | K119-E121 PolarHBondContact O-N 3.42Å; K119-E121 VanDerWaalsContact O-N 3.11Å; E121-R123 PolarHBondContact O-N 2.97Å | ||
| 122 | E | 52.2 | Low | 44.8 | Very low | 194 Ų | 194 | 161.1 Ų | 161.1 | 91% | 0.907 | 81% | 0.807 | S | S | * | * | trans | -59.2 | 98.8 | 178.5 | -66.7 | 175.7 | 161.3 | 0 | 0 | 109.9 | K124 | E122-K124 PolarHBondContact O-N 3.34Š| ||
| 123 | R | 38.7 | Very low | 45.2 | Very low | 234 Ų | 234 | 163.5 Ų | 163.5 | 88% | 0.883 | 81% | 0.806 | S | S | * | * | trans | -73.9 | 99.2 | 170.3 | -77.1 | -176.6 | 178.8 | -176.8 | -0.4 | 108.9 | E121 V125 | E121-R123 PolarHBondContact O-N 2.97Å; R123-V125 PolarHBondContact O-N 3.04Å | ||
| 124 | K | 44.4 | Very low | 45.5 | Very low | 200 Ų | 200 | 163.6 Ų | 163.6 | 87% | 0.87 | 81% | 0.805 | S | S | * | * | trans | -55.2 | 108.8 | 157.6 | -74.7 | -175.8 | 177.6 | -179.7 | 0 | 108.1 | E122 S126 | E122-K124 PolarHBondContact O-N 3.34Å; K124-S126 PolarHBondContact O-N 3.05Å; K124-S126 VanDerWaalsContact O-N 3.08Å | ||
| 125 | V | 42.5 | Very low | 46.5 | Very low | 129 Ų | 129 | 165.5 Ų | 165.5 | 78% | 0.782 | 80% | 0.798 | S | S | * | * | trans | -69 | 102.3 | 167.6 | -179.2 | 0 | 0 | 0 | 0 | 106.4 | R123 E127 | R123-V125 PolarHBondContact O-N 3.04Å; V125-E127 PolarHBondContact O-N 3.4Å | ||
| 126 | S | 45.6 | Very low | 48.6 | Very low | 113 Ų | 113 | 164.4 Ų | 164.4 | 79% | 0.79 | 79% | 0.793 | S | S | * | * | trans | -72.4 | 83.5 | 166.5 | 40.5 | 0 | 0 | 0 | 0 | 108.4 | K124 N128 | K124-S126 PolarHBondContact O-N 3.05Å; K124-S126 VanDerWaalsContact O-N 3.08Å; S126-N128 PolarHBondContact O-N 2.92Å | ||
| 127 | E | 47.3 | Very low | 50.8 | Low | 132 Ų | 132 | 159.9 Ų | 159.9 | 62% | 0.617 | 78% | 0.777 | S | S | * | * | trans | -66.9 | 98.3 | 166.6 | -154.9 | -175.1 | -163.7 | 0 | 0 | 107 | V125 K129 | V125-E127 PolarHBondContact O-N 3.4Å; E127-K129 HydrophobicContact CG-CG 4.36Å; E127-K129 PolarHBondContact O-N 2.77Å; E127-K129 WeakPolarHBondContact OE1-CE 3.31Å; E127-K129 IonicContact OE1-NZ 4Å; E127-K129 PolarHBondContact OE1-NZ 2.88Å; E127-K129 WeakPolarHBondContact OE2-CE 3.12Å; E127-K129 IonicContact OE2-NZ 2.85Å; E127-K129 PolarHBondContact OE2-NZ 3.15Å | ||
| 128 | N | 44.9 | Very low | 53.4 | Low | 169 Ų | 169 | 154.6 Ų | 154.6 | 90% | 0.904 | 75% | 0.752 | S | S | * | * | trans | -74.8 | 62.2 | 177.9 | -148.5 | 27 | 0 | 0 | 0 | 109.4 | S126 K130 | S126-N128 PolarHBondContact O-N 2.92Å; N128-K130 PolarHBondContact O-N 3.43Å | ||
| 129 | K | 52.3 | Low | 55.7 | Low | 141 Ų | 141 | 147.1 Ų | 147.1 | 61% | 0.613 | 73% | 0.728 | S | S | * | * | trans | -69.5 | 122.2 | 161.6 | -83.6 | 174.6 | 179 | 141.9 | 0 | 106 | E127 | E127-K129 HydrophobicContact CG-CG 4.36Å; E127-K129 PolarHBondContact O-N 2.77Å; E127-K129 WeakPolarHBondContact OE1-CE 3.31Å; E127-K129 IonicContact OE1-NZ 4Å; E127-K129 PolarHBondContact OE1-NZ 2.88Å; E127-K129 WeakPolarHBondContact OE2-CE 3.12Å; E127-K129 IonicContact OE2-NZ 2.85Å; E127-K129 PolarHBondContact OE2-NZ 3.15Å | ||
| 130 | K | 39.1 | Very low | 58.4 | Low | 191 Ų | 191 | 142.4 Ų | 142.4 | 83% | 0.83 | 71% | 0.707 | S | S | * | * | trans | -43.1 | 132.4 | 162.7 | -87.8 | 177.8 | 174.1 | 176.9 | 0 | 107.3 | N128 E132 | N128-K130 PolarHBondContact O-N 3.43Å; K130-E132 PolarHBondContact O-N 3.37Å | ||
| 131 | P | 45.3 | Very low | 60.7 | Low | 126 Ų | 126 | 141.3 Ų | 141.3 | 82% | 0.818 | 69% | 0.687 | S | S | * | * | trans | -58.3 | 107 | 175.3 | 22.7 | -30.3 | 0 | 0 | 0 | 107 | K133 | P131-K133 PolarHBondContact O-N 2.98Š| ||
| 132 | E | 57.5 | Low | 63.1 | Low | 171 Ų | 171 | 136.7 Ų | 136.7 | 80% | 0.799 | 67% | 0.668 | S | S | * | * | trans | -55.1 | 128.8 | 161.8 | -80.3 | -175.5 | 145.7 | 0 | 0 | 105.2 | K130 I134 | K130-E132 PolarHBondContact O-N 3.37Å; E132-I134 PolarHBondContact O-N 3.13Å | ||
| 133 | K | 55.4 | Low | 64.9 | Low | 178 Ų | 178 | 129.5 Ų | 129.5 | 77% | 0.774 | 65% | 0.646 | S | S | * | * | trans | -49.8 | 116.1 | 174.7 | -70.5 | 179 | 178.1 | -177.3 | 0 | 106.4 | P131 H135 | P131-K133 PolarHBondContact O-N 2.98Å; K133-H135 PolarHBondContact O-CD2 2.97Å; K133-H135 VanDerWaalsContact O-CD2 3.26Å; K133-H135 PolarHBondContact O-N 2.83Å | ||
| 134 | I | 57.8 | Low | 67.4 | Low | 169 Ų | 169 | 125.1 Ų | 125.1 | 87% | 0.867 | 63% | 0.633 | S | S | * | * | trans | -64.7 | 95.4 | 175.2 | -58.9 | 170.9 | 0 | 0 | 0 | 104.7 | E132 | E132-I134 PolarHBondContact O-N 3.13Š| ||
| 135 | H | 63.7 | Low | 69.9 | Low | 100 Ų | 100 | 118.3 Ų | 118.3 | 46% | 0.463 | 61% | 0.605 | S | S | . | * | P | Polyproline II helix | trans | -69.9 | 131.3 | 166.5 | -75.4 | -85 | 0 | 0 | 0 | 106.3 | K133 S137 H150 | K133-H135 PolarHBondContact O-CD2 2.97Å; K133-H135 VanDerWaalsContact O-CD2 3.26Å; K133-H135 PolarHBondContact O-N 2.83Å; H135-S137 PolarHBondContact O-N 2.82Å; H135-H150 HydrophobicContact CB-CB 3.99Å; H135-H150 WeakPolarHBondContact CB-CD2 3.32Å; H135-H150 VanDerWaalsContact CB-CG 3.41Å; H135-H150 AromaticContact CD2-CD2 3.96Å; H135-H150 AromaticContact CD2-NE2 3.65Å; H135-H150 AromaticContact CG-CD2 3.8Å; H135-H150 AromaticContact CG-CE1 3.86Å; H135-H150 AromaticContact CG-NE2 3.54Å |
| 136 | E | 80.4 | Confident | 72.5 | Confident | 174 Ų | 174 | 114.8 Ų | 114.8 | 81% | 0.813 | 58% | 0.578 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 122.5 | 179.9 | -169.8 | 167.5 | -164.2 | 0 | 0 | 109.1 | S138 | E136-S138 PolarHBondContact O-N 3.03Š|
| 137 | S | 89.3 | Confident | 75 | Confident | 68 Ų | 68 | 112.2 Ų | 112.2 | 48% | 0.476 | 55% | 0.553 | S | S | . | * | P | Polyproline II helix | trans | -60.5 | 124.7 | 176.7 | 55.9 | 0 | 0 | 0 | 0 | 108.8 | H135 D149 H150 | H135-S137 PolarHBondContact O-N 2.82Å; S137-D149 WeakPolarHBondContact CA-O 3.22Å; S137-H150 WeakPolarHBondContact CB-O 3.41Å |
| 138 | S | 92.3 | Very high | 77.4 | Confident | 39 Ų | 39 | 106 Ų | 106 | 27% | 0.273 | 52% | 0.523 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 146.9 | -177.9 | 58.5 | 0 | 0 | 0 | 0 | 111.6 | E136 D149 Q151 | E136-S138 PolarHBondContact O-N 3.03Å; S138-D149 PolarHBondContact N-O 3.43Å; S138-D149 PolarHBondContact O-N 2.77Å; S138-Q151 PolarHBondContact O-NE2 2.9Å |
| 139 | I | 95.1 | Very high | 79.8 | Confident | 62 Ų | 62 | 99.3 Ų | 99.3 | 32% | 0.318 | 49% | 0.488 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 116.1 | 169.1 | -58.1 | -179.6 | 0 | 0 | 0 | 105.5 | W146 K147 V148 A157 V159 | I139-W146 HydrophobicContact CG2-CE3 4.36Å; I139-W146 HydrophobicContact CG2-CZ3 4.49Å; I139-K147 VanDerWaalsContact CA-O 3.29Å; I139-K147 WeakPolarHBondContact CA-O 3.43Å; I139-V148 HydrophobicContact CD1-CG1 4.41Å; I139-V148 HydrophobicContact CG1-CG1 4.18Å; I139-V148 HydrophobicContact CG1-CG2 4.5Å; I139-V148 HydrophobicContact CG2-CG2 4.31Å; I139-A157 HydrophobicContact CD1-CB 4.01Å; I139-V159 HydrophobicContact CG2-CG2 4.11Å |
| 140 | F | 94.1 | Very high | 81.9 | Confident | 88 Ų | 88 | 94 Ų | 94 | 39% | 0.386 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 154.4 | 178.5 | 67.1 | -84.5 | 0 | 0 | 0 | 111.6 | D142 K147 | F140-D142 HydrophobicContact CE2-CB 4.49Å; F140-K147 HydrophobicContact CD1-CB 4.33Å; F140-K147 HydrophobicContact CE1-CB 3.95Å; F140-K147 HydrophobicContact CE1-CD 4.33Å; F140-K147 HydrophobicContact CE2-CB 4.37Å; F140-K147 HydrophobicContact CE2-CD 3.8Å; F140-K147 HydrophobicContact CZ-CB 3.98Å; F140-K147 HydrophobicContact CZ-CD 3.55Å; F140-K147 HydrophobicContact CZ-CG 4.36Å; F140-K147 PolarHBondContact N-O 2.81Å; F140-K147 PolarHBondContact O-N 2.78Å |
| 141 | W | 94.9 | Very high | 84.5 | Confident | 123 Ų | 123 | 85.3 Ų | 85.3 | 47% | 0.466 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 130.3 | 177.5 | -177.2 | 79.2 | 0 | 0 | 0 | 109.9 | G143 W146 E166 | W141-G143 VanDerWaalsContact CH2-CA 3.44Å; W141-G143 VanDerWaalsContact CZ2-CA 3.49Å; W141-G143 VanDerWaalsContact CZ2-O 3.23Å; W141-G143 WeakPolarHBondContact CZ2-O 3.22Å; W141-W146 HydrophobicContact CB-CD2 3.94Å; W141-W146 HydrophobicContact CB-CE3 3.85Å; W141-W146 HydrophobicContact CB-CH2 3.94Å; W141-W146 HydrophobicContact CB-CZ2 4.01Å; W141-W146 HydrophobicContact CB-CZ3 3.85Å; W141-W146 AromaticContact CD1-CD1 3.63Å; W141-W146 AromaticContact CD1-CD2 3.74Å; W141-W146 AromaticContact CD1-CE2 3.43Å; W141-W146 VanDerWaalsContact CD1-CE2 3.43Å; W141-W146 AromaticContact CD1-CG 3.87Å; W141-W146 AromaticContact CD1-CZ2 3.99Å; W141-W146 AromaticContact CD1-NE1 3.35Å; W141-W146 VanDerWaalsContact CD1-NE1 3.35Å; W141-W146 HydrophobicContact CG-CD2 4.24Å; W141-W146 AromaticContact CG-CE2 4Å; W141-W146 HydrophobicContact CG-CZ2 4.18Å; W141-W146 AromaticContact NE1-NE1 3.87Å; W141-E166 PolarHBondContact NE1-OE1 2.95Å |
| 142 | D | 91.7 | Very high | 86.9 | Confident | 70 Ų | 70 | 84.3 Ų | 84.3 | 37% | 0.374 | 42% | 0.419 | S | S | . | . | trans | -99 | 8.4 | -175.9 | 76.2 | 4.5 | 0 | 0 | 0 | 114.6 | F140 K144 I145 K147 | F140-D142 HydrophobicContact CE2-CB 4.49Å; D142-K144 PolarHBondContact OD1-N 2.93Å; D142-K144 VanDerWaalsContact OD1-N 3.08Å; D142-I145 VanDerWaalsContact CG-O 3.29Å; D142-I145 PolarHBondContact N-O 3.44Å; D142-I145 WeakPolarHBondContact OD1-CA 3.46Å; D142-I145 PolarHBondContact OD1-N 2.81Å; D142-I145 VanDerWaalsContact OD1-O 3.07Å; D142-K147 WeakPolarHBondContact OD2-CE 3.23Å; D142-K147 IonicContact OD2-NZ 2.79Å; D142-K147 PolarHBondContact OD2-NZ 3.03Å | ||
| 143 | G | 89.6 | Confident | 88.7 | Confident | 43 Ų | 43 | 78.1 Ų | 78.1 | 44% | 0.443 | 40% | 0.401 | S | S | . | . | S | Bend | trans | 105.9 | -16.4 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | W141 | W141-G143 VanDerWaalsContact CH2-CA 3.44Å; W141-G143 VanDerWaalsContact CZ2-CA 3.49Å; W141-G143 VanDerWaalsContact CZ2-O 3.23Å; W141-G143 WeakPolarHBondContact CZ2-O 3.22Å |
| 144 | K | 91.4 | Very high | 90.5 | Very high | 142 Ų | 142 | 72 Ų | 72 | 62% | 0.617 | 38% | 0.377 | S | S | * | . | S | Bend | trans | -152.1 | -32.2 | -179.4 | -175.9 | 177.4 | 178.1 | -175.7 | 0 | 113.1 | D142 E166 S167 | D142-K144 PolarHBondContact OD1-N 2.93Å; D142-K144 VanDerWaalsContact OD1-N 3.08Å; K144-E166 WeakPolarHBondContact O-CA 3.18Å; K144-S167 PolarHBondContact O-N 3.07Å; K144-S167 VanDerWaalsContact O-N 3.13Å |
| 145 | I | 96.6 | Very high | 92.2 | Very high | 57 Ų | 57 | 67.6 Ų | 67.6 | 29% | 0.292 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 127.9 | -174.2 | -53.9 | 178.2 | 0 | 0 | 0 | 108.4 | D142 S167 | D142-I145 VanDerWaalsContact CG-O 3.29Å; D142-I145 PolarHBondContact N-O 3.44Å; D142-I145 WeakPolarHBondContact OD1-CA 3.46Å; D142-I145 PolarHBondContact OD1-N 2.81Å; D142-I145 VanDerWaalsContact OD1-O 3.07Å; I145-S167 CarbonylContact C-O 3.49Å; I145-S167 VanDerWaalsContact CA-O 3.23Å; I145-S167 WeakPolarHBondContact CA-O 3.23Å |
| 146 | W | 98.1 | Very high | 93.7 | Very high | 54 Ų | 54 | 68.9 Ų | 68.9 | 21% | 0.205 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 122.5 | 165.8 | -75.4 | 96.8 | 0 | 0 | 0 | 109.2 | I139 W141 V159 E160 E166 S167 I168 Y169 | I139-W146 HydrophobicContact CG2-CE3 4.36Å; I139-W146 HydrophobicContact CG2-CZ3 4.49Å; W141-W146 HydrophobicContact CB-CD2 3.94Å; W141-W146 HydrophobicContact CB-CE3 3.85Å; W141-W146 HydrophobicContact CB-CH2 3.94Å; W141-W146 HydrophobicContact CB-CZ2 4.01Å; W141-W146 HydrophobicContact CB-CZ3 3.85Å; W141-W146 AromaticContact CD1-CD1 3.63Å; W141-W146 AromaticContact CD1-CD2 3.74Å; W141-W146 AromaticContact CD1-CE2 3.43Å; W141-W146 VanDerWaalsContact CD1-CE2 3.43Å; W141-W146 AromaticContact CD1-CG 3.87Å; W141-W146 AromaticContact CD1-CZ2 3.99Å; W141-W146 AromaticContact CD1-NE1 3.35Å; W141-W146 VanDerWaalsContact CD1-NE1 3.35Å; W141-W146 HydrophobicContact CG-CD2 4.24Å; W141-W146 AromaticContact CG-CE2 4Å; W141-W146 HydrophobicContact CG-CZ2 4.18Å; W141-W146 AromaticContact NE1-NE1 3.87Å; W146-V159 HydrophobicContact CB-CG1 3.89Å; W146-V159 HydrophobicContact CD2-CG1 3.53Å; W146-V159 HydrophobicContact CE3-CG1 3.86Å; W146-V159 HydrophobicContact CG-CG1 3.54Å; W146-E160 WeakPolarHBondContact CZ2-O 3.15Å; W146-E166 PolarHBondContact NE1-OE2 3.04Å; W146-S167 PolarHBondContact N-O 3.08Å; W146-I168 HydrophobicContact CB-CB 4.45Å; W146-I168 HydrophobicContact CB-CG1 4.07Å; W146-I168 HydrophobicContact CB-CG2 4.26Å; W146-I168 CarbonylContact O-C 3.58Å; W146-I168 WeakPolarHBondContact O-CA 3.49Å; W146-Y169 PolarHBondContact O-N 3.47Å |
| 147 | K | 97.8 | Very high | 94.3 | Very high | 60 Ų | 60 | 60.7 Ų | 60.7 | 26% | 0.261 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 122.7 | 176.1 | -69.8 | 175.8 | -178.1 | 154.4 | 0 | 109.4 | I139 F140 D142 Y169 | I139-K147 VanDerWaalsContact CA-O 3.29Å; I139-K147 WeakPolarHBondContact CA-O 3.43Å; F140-K147 HydrophobicContact CD1-CB 4.33Å; F140-K147 HydrophobicContact CE1-CB 3.95Å; F140-K147 HydrophobicContact CE1-CD 4.33Å; F140-K147 HydrophobicContact CE2-CB 4.37Å; F140-K147 HydrophobicContact CE2-CD 3.8Å; F140-K147 HydrophobicContact CZ-CB 3.98Å; F140-K147 HydrophobicContact CZ-CD 3.55Å; F140-K147 HydrophobicContact CZ-CG 4.36Å; F140-K147 PolarHBondContact N-O 2.81Å; F140-K147 PolarHBondContact O-N 2.78Å; D142-K147 WeakPolarHBondContact OD2-CE 3.23Å; D142-K147 IonicContact OD2-NZ 2.79Å; D142-K147 PolarHBondContact OD2-NZ 3.03Å; K147-Y169 WeakPolarHBondContact CA-O 3.32Å |
| 148 | V | 97.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 94.1 | 176.6 | -177.4 | 0 | 0 | 0 | 0 | 107.1 | I139 Q151 V159 I168 Y169 I170 Y171 I178 | I139-V148 HydrophobicContact CD1-CG1 4.41Å; I139-V148 HydrophobicContact CG1-CG1 4.18Å; I139-V148 HydrophobicContact CG1-CG2 4.5Å; I139-V148 HydrophobicContact CG2-CG2 4.31Å; V148-Q151 HydrophobicContact CG1-CG 3.65Å; V148-V159 HydrophobicContact CG2-CG2 3.58Å; V148-I168 HydrophobicContact CG2-CG2 4.28Å; V148-Y169 PolarHBondContact N-O 3.5Å; V148-I170 HydrophobicContact CB-CG1 4.21Å; V148-I170 HydrophobicContact CB-CG2 4.42Å; V148-I170 HydrophobicContact CG1-CG2 4.46Å; V148-I170 WeakPolarHBondContact O-CA 3.31Å; V148-Y171 PolarHBondContact O-N 3.16Å; V148-I178 HydrophobicContact CG1-CD1 3.81Å; V148-I178 HydrophobicContact CG1-CG1 4.25Å |
| 149 | D | 95.7 | Very high | 94.9 | Very high | 30 Ų | 30 | 58.4 Ų | 58.4 | 16% | 0.16 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 135.4 | -167.2 | -72.4 | -3.2 | 0 | 0 | 0 | 110.8 | S137 S138 Q151 Y171 | S137-D149 WeakPolarHBondContact CA-O 3.22Å; S138-D149 PolarHBondContact N-O 3.43Å; S138-D149 PolarHBondContact O-N 2.77Å; D149-Q151 VanDerWaalsContact C-N 3.27Å; D149-Q151 PolarHBondContact O-N 2.68Å; D149-Q151 VanDerWaalsContact O-N 3.14Å; D149-Q151 PolarHBondContact O-NE2 2.93Å; D149-Y171 WeakPolarHBondContact CA-O 3.36Å; D149-Y171 WeakPolarHBondContact OD1-CB 3.34Å |
| 150 | H | 95.8 | Very high | 95 | Very high | 29 Ų | 29 | 60.9 Ų | 60.9 | 13% | 0.134 | 32% | 0.315 | C | S | . | . | trans | 53.8 | 35.7 | 167.3 | -55 | 90.3 | 0 | 0 | 0 | 114.9 | H135 S137 V152 Y171 K172 | H135-H150 HydrophobicContact CB-CB 3.99Å; H135-H150 WeakPolarHBondContact CB-CD2 3.32Å; H135-H150 VanDerWaalsContact CB-CG 3.41Å; H135-H150 AromaticContact CD2-CD2 3.96Å; H135-H150 AromaticContact CD2-NE2 3.65Å; H135-H150 AromaticContact CG-CD2 3.8Å; H135-H150 AromaticContact CG-CE1 3.86Å; H135-H150 AromaticContact CG-NE2 3.54Å; S137-H150 WeakPolarHBondContact CB-O 3.41Å; H150-V152 PolarHBondContact O-N 3.01Å; H150-Y171 AromaticContact CE1-CD1 3.77Å; H150-Y171 AromaticContact CE1-CE1 3.77Å; H150-Y171 PolarHBondContact N-O 3.28Å; H150-Y171 AromaticContact NE2-CE1 3.95Å; H150-K172 WeakPolarHBondContact NE2-CD 3.36Å | ||
| 151 | Q | 95 | Very high | 95.1 | Very high | 8 Ų | 8 | 57.3 Ų | 57.3 | 4% | 0.037 | 30% | 0.301 | C | S | . | . | trans | -68.2 | 126.3 | 171.8 | -57.9 | -62.2 | -44.6 | 0 | 0 | 109.4 | S138 V148 D149 N154 C173 N174 S176 | S138-Q151 PolarHBondContact O-NE2 2.9Å; V148-Q151 HydrophobicContact CG1-CG 3.65Å; D149-Q151 VanDerWaalsContact C-N 3.27Å; D149-Q151 PolarHBondContact O-N 2.68Å; D149-Q151 VanDerWaalsContact O-N 3.14Å; D149-Q151 PolarHBondContact O-NE2 2.93Å; Q151-N154 HydrophobicContact CB-CB 4.36Å; Q151-N154 PolarHBondContact OE1-ND2 2.91Å; Q151-C173 HydrophobicContact CB-CB 4.17Å; Q151-C173 VanDerWaalsContact CB-SG 3.59Å; Q151-C173 CarbonylContact O-C 3.52Å; Q151-C173 VanDerWaalsContact O-CA 3.25Å; Q151-C173 WeakPolarHBondContact O-CA 3.34Å; Q151-N174 PolarHBondContact O-N 3.17Å; Q151-S176 VanDerWaalsContact C-OG 3.3Å; Q151-S176 PolarHBondContact O-OG 2.89Å; Q151-S176 VanDerWaalsContact O-OG 3.12Å | ||
| 152 | V | 95.5 | Very high | 95 | Very high | 106 Ų | 106 | 57.7 Ų | 57.7 | 64% | 0.642 | 32% | 0.316 | S | S | * | . | B | Isolated β-bridge | trans | -127.2 | 117.6 | 178.9 | -176 | 0 | 0 | 0 | 0 | 109.5 | H150 N154 N174 | H150-V152 PolarHBondContact O-N 3.01Å; V152-N154 PolarHBondContact O-N 3.33Å; V152-N174 CarbonylContact C-O 3.54Å; V152-N174 VanDerWaalsContact CA-O 3.29Å; V152-N174 WeakPolarHBondContact CA-O 3.42Å; V152-N174 HydrophobicContact CG2-CB 4.45Å |
| 153 | G | 94.4 | Very high | 95.2 | Very high | 40 Ų | 40 | 57.5 Ų | 57.5 | 41% | 0.412 | 32% | 0.316 | S | S | . | . | S | Bend | trans | 70.3 | 5.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | K155 N174 D175 S176 | G153-K155 PolarHBondContact O-N 3.18Å; G153-N174 PolarHBondContact N-O 2.89Å; G153-D175 CarbonylContact C-O 3.52Å; G153-D175 WeakPolarHBondContact CA-O 3.24Å; G153-D175 PolarHBondContact N-O 2.87Å; G153-S176 PolarHBondContact N-OG 2.85Å |
| 154 | N | 93.3 | Very high | 95.4 | Very high | 51 Ų | 51 | 61.7 Ų | 61.7 | 27% | 0.273 | 32% | 0.322 | S | S | . | . | trans | -84.2 | 108.8 | -175 | -174.4 | -3.2 | 0 | 0 | 0 | 110.7 | Q151 V152 N156 A157 S176 I177 | Q151-N154 HydrophobicContact CB-CB 4.36Å; Q151-N154 PolarHBondContact OE1-ND2 2.91Å; V152-N154 PolarHBondContact O-N 3.33Å; N154-N156 PolarHBondContact OD1-N 3.39Å; N154-A157 PolarHBondContact OD1-N 3.08Å; N154-S176 PolarHBondContact N-OG 3.09Å; N154-S176 CarbonylContact O-C 3.56Å; N154-S176 WeakPolarHBondContact O-CA 3.45Å; N154-S176 VanDerWaalsContact O-CB 3.25Å; N154-S176 WeakPolarHBondContact O-CB 3.22Å; N154-I177 PolarHBondContact O-N 3.3Å | ||
| 155 | K | 94.5 | Very high | 95.6 | Very high | 76 Ų | 76 | 62 Ų | 62 | 33% | 0.33 | 32% | 0.323 | S | S | . | . | S | Bend | trans | -92.9 | -0.6 | 179.9 | -54.2 | -59.3 | -176.8 | -176.2 | 0 | 114.1 | G153 D175 I177 | G153-K155 PolarHBondContact O-N 3.18Å; K155-D175 WeakPolarHBondContact CE-O 3.5Å; K155-D175 PolarHBondContact NZ-O 2.89Å; K155-D175 IonicContact NZ-OD1 2.63Å; K155-D175 PolarHBondContact NZ-OD1 2.96Å; K155-D175 IonicContact NZ-OD2 4Å; K155-I177 HydrophobicContact CB-CD1 4.23Å; K155-I177 HydrophobicContact CD-CB 4.37Å; K155-I177 HydrophobicContact CD-CD1 3.74Å; K155-I177 HydrophobicContact CD-CG1 3.67Å; K155-I177 HydrophobicContact CG-CD1 4.46Å |
| 156 | N | 93.7 | Very high | 95.6 | Very high | 127 Ų | 127 | 60.1 Ų | 60.1 | 68% | 0.679 | 31% | 0.313 | S | S | * | . | trans | -123.8 | 19 | -172.9 | -62.9 | -47.3 | 0 | 0 | 0 | 112.5 | N154 V158 | N154-N156 PolarHBondContact OD1-N 3.39Å; N156-V158 PolarHBondContact O-N 3.12Å | ||
| 157 | A | 95 | Very high | 95.6 | Very high | 2 Ų | 2 | 58.5 Ų | 58.5 | 2% | 0.017 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 124.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | I139 N154 I177 I178 K179 | I139-A157 HydrophobicContact CD1-CB 4.01Å; N154-A157 PolarHBondContact OD1-N 3.08Å; A157-I177 PolarHBondContact N-O 2.96Å; A157-I178 HydrophobicContact CB-CG1 4.07Å; A157-I178 WeakPolarHBondContact O-CA 3.48Å; A157-K179 PolarHBondContact O-N 3.35Å |
| 158 | V | 96.8 | Very high | 95.7 | Very high | 58 Ų | 58 | 55.8 Ų | 55.8 | 35% | 0.352 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 134.2 | 178.9 | -176.4 | 0 | 0 | 0 | 0 | 109.2 | N156 E160 K179 K181 | N156-V158 PolarHBondContact O-N 3.12Å; V158-E160 HydrophobicContact CG1-CG 4.06Å; V158-K179 CarbonylContact C-O 3.52Å; V158-K179 VanDerWaalsContact CA-O 3.29Å; V158-K179 WeakPolarHBondContact CA-O 3.37Å; V158-K179 HydrophobicContact CG2-CB 4.37Å; V158-K181 HydrophobicContact CG1-CD 4.29Å; V158-K181 HydrophobicContact CG1-CG 4.34Å |
| 159 | V | 96.9 | Very high | 95.7 | Very high | 1 Ų | 1 | 59.3 Ų | 59.3 | 1% | 0.006 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 128 | 169.7 | 179.1 | 0 | 0 | 0 | 0 | 107.6 | I139 W146 V148 V161 K179 I180 K181 | I139-V159 HydrophobicContact CG2-CG2 4.11Å; W146-V159 HydrophobicContact CB-CG1 3.89Å; W146-V159 HydrophobicContact CD2-CG1 3.53Å; W146-V159 HydrophobicContact CE3-CG1 3.86Å; W146-V159 HydrophobicContact CG-CG1 3.54Å; V148-V159 HydrophobicContact CG2-CG2 3.58Å; V159-V161 HydrophobicContact CG1-CG2 4.2Å; V159-K179 PolarHBondContact N-O 2.96Å; V159-I180 HydrophobicContact CB-CG1 4.35Å; V159-I180 WeakPolarHBondContact O-CA 3.33Å; V159-K181 PolarHBondContact O-N 2.8Å |
| 160 | E | 96.7 | Very high | 95.8 | Very high | 113 Ų | 113 | 57.9 Ų | 57.9 | 53% | 0.528 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 109.4 | 178.2 | -58.6 | -164.5 | 156.5 | 0 | 0 | 109.1 | W146 V158 K181 | W146-E160 WeakPolarHBondContact CZ2-O 3.15Å; V158-E160 HydrophobicContact CG1-CG 4.06Å; E160-K181 HydrophobicContact CG-CB 4.5Å; E160-K181 HydrophobicContact CG-CD 4.3Å; E160-K181 IonicContact OE1-NZ 2.68Å; E160-K181 PolarHBondContact OE1-NZ 3.2Å |
| 161 | V | 95.8 | Very high | 96 | Very high | 14 Ų | 14 | 59.9 Ų | 59.9 | 9% | 0.085 | 31% | 0.311 | C | S | . | . | trans | -92.4 | 128.5 | -177.4 | 178.3 | 0 | 0 | 0 | 0 | 108.8 | V159 D163 E166 I168 I180 K181 K183 A184 | V159-V161 HydrophobicContact CG1-CG2 4.2Å; V161-D163 WeakPolarHBondContact CG1-O 3.49Å; V161-E166 HydrophobicContact CG1-CB 4.08Å; V161-E166 WeakPolarHBondContact CG1-OE2 3.22Å; V161-I168 HydrophobicContact CG2-CD1 3.99Å; V161-I168 HydrophobicContact CG2-CG1 4.35Å; V161-I180 HydrophobicContact CG2-CG2 3.72Å; V161-K181 WeakPolarHBondContact CB-O 3.22Å; V161-K181 PolarHBondContact N-O 3.34Å; V161-K183 WeakPolarHBondContact CG1-O 3.24Å; V161-A184 HydrophobicContact CG1-CB 4.03Å; V161-A184 HydrophobicContact CG2-CB 4.26Å | ||
| 162 | T | 94.1 | Very high | 96.1 | Very high | 130 Ų | 130 | 64 Ų | 64 | 80% | 0.798 | 33% | 0.329 | S | S | * | . | trans | -107.4 | -26.9 | -176 | 62.3 | 0 | 0 | 0 | 0 | 113.2 | E166 | T162-E166 PolarHBondContact N-OE2 2.95Å; T162-E166 VanDerWaalsContact N-OE2 3.15Å | ||
| 163 | D | 94.3 | Very high | 96.2 | Very high | 67 Ų | 67 | 59 Ų | 59 | 36% | 0.358 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -123.2 | 130.6 | 176.3 | -174.1 | -19.3 | 0 | 0 | 0 | 110.1 | V161 K165 E166 | V161-D163 WeakPolarHBondContact CG1-O 3.49Å; D163-K165 PolarHBondContact O-N 2.86Å; D163-K165 WeakPolarHBondContact OD1-CB 3.11Å; D163-K165 WeakPolarHBondContact OD1-CG 3.3Å; D163-K165 PolarHBondContact OD1-N 2.98Å; D163-E166 HydrophobicContact CB-CG 4.14Å; D163-E166 VanDerWaalsContact O-CB 3.3Å; D163-E166 WeakPolarHBondContact O-CB 3.35Å; D163-E166 WeakPolarHBondContact O-CG 3.34Å; D163-E166 PolarHBondContact O-N 2.79Å |
| 164 | K | 94.3 | Very high | 96.3 | Very high | 131 Ų | 131 | 60.2 Ų | 60.2 | 57% | 0.57 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -7.4 | 175.7 | 69.5 | -179.1 | 178.8 | -176.9 | 0 | 114.9 | K183 A184 N185 V203 | K164-K183 VanDerWaalsContact CA-O 3.28Å; K164-K183 WeakPolarHBondContact CA-O 3.28Å; K164-A184 CarbonylContact O-C 3.6Å; K164-N185 VanDerWaalsContact O-CA 3.27Å; K164-N185 WeakPolarHBondContact O-CA 3.18Å; K164-N185 VanDerWaalsContact O-CB 3.25Å; K164-N185 WeakPolarHBondContact O-CB 3.1Å; K164-N185 PolarHBondContact O-N 3.24Å; K164-N185 VanDerWaalsContact O-N 3.07Å; K164-V203 HydrophobicContact CB-CG2 3.99Å; K164-V203 HydrophobicContact CD-CG2 4.41Å; K164-V203 HydrophobicContact CG-CG2 4.47Å |
| 165 | K | 95.9 | Very high | 96.5 | Very high | 149 Ų | 149 | 61.3 Ų | 61.3 | 65% | 0.648 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.7 | -18.3 | 171.3 | -66.1 | 173.6 | -174 | 166 | 0 | 113.1 | D163 | D163-K165 PolarHBondContact O-N 2.86Å; D163-K165 WeakPolarHBondContact OD1-CB 3.11Å; D163-K165 WeakPolarHBondContact OD1-CG 3.3Å; D163-K165 PolarHBondContact OD1-N 2.98Å |
| 166 | E | 97.2 | Very high | 96.7 | Very high | 16 Ų | 16 | 57.7 Ų | 57.7 | 8% | 0.075 | 29% | 0.286 | C | S | . | . | trans | -69.1 | 144.9 | 179.5 | -60.9 | -178.2 | 141.9 | 0 | 0 | 110.3 | W141 K144 W146 V161 T162 D163 N185 | W141-E166 PolarHBondContact NE1-OE1 2.95Å; K144-E166 WeakPolarHBondContact O-CA 3.18Å; W146-E166 PolarHBondContact NE1-OE2 3.04Å; V161-E166 HydrophobicContact CG1-CB 4.08Å; V161-E166 WeakPolarHBondContact CG1-OE2 3.22Å; T162-E166 PolarHBondContact N-OE2 2.95Å; T162-E166 VanDerWaalsContact N-OE2 3.15Å; D163-E166 HydrophobicContact CB-CG 4.14Å; D163-E166 VanDerWaalsContact O-CB 3.3Å; D163-E166 WeakPolarHBondContact O-CB 3.35Å; D163-E166 WeakPolarHBondContact O-CG 3.34Å; D163-E166 PolarHBondContact O-N 2.79Å; E166-N185 WeakPolarHBondContact O-CB 3.16Å; E166-N185 PolarHBondContact O-N 3.12Å | ||
| 167 | S | 98 | Very high | 96.9 | Very high | 21 Ų | 21 | 54 Ų | 54 | 15% | 0.147 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 160 | 175.3 | -54.7 | 0 | 0 | 0 | 0 | 110.1 | K144 I145 W146 A186 | K144-S167 PolarHBondContact O-N 3.07Å; K144-S167 VanDerWaalsContact O-N 3.13Å; I145-S167 CarbonylContact C-O 3.49Å; I145-S167 VanDerWaalsContact CA-O 3.23Å; I145-S167 WeakPolarHBondContact CA-O 3.23Å; W146-S167 PolarHBondContact N-O 3.08Å; S167-A186 CarbonylContact C-O 3.54Å; S167-A186 VanDerWaalsContact CA-O 3.31Å; S167-A186 WeakPolarHBondContact CA-O 3.35Å |
| 168 | I | 98.6 | Very high | 97.1 | Very high | 2 Ų | 2 | 53.9 Ų | 53.9 | 1% | 0.01 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 131.2 | 179.6 | -54.7 | 90.5 | 0 | 0 | 0 | 108.6 | W146 V148 V161 I170 I180 A184 A186 I187 T188 | W146-I168 HydrophobicContact CB-CB 4.45Å; W146-I168 HydrophobicContact CB-CG1 4.07Å; W146-I168 HydrophobicContact CB-CG2 4.26Å; W146-I168 CarbonylContact O-C 3.58Å; W146-I168 WeakPolarHBondContact O-CA 3.49Å; V148-I168 HydrophobicContact CG2-CG2 4.28Å; V161-I168 HydrophobicContact CG2-CD1 3.99Å; V161-I168 HydrophobicContact CG2-CG1 4.35Å; I168-I170 HydrophobicContact CG2-CD1 4.35Å; I168-I170 HydrophobicContact CG2-CG1 3.85Å; I168-I180 HydrophobicContact CB-CD1 4.32Å; I168-I180 HydrophobicContact CD1-CD1 4.37Å; I168-I180 HydrophobicContact CD1-CG2 3.97Å; I168-I180 HydrophobicContact CG1-CD1 4.22Å; I168-I180 HydrophobicContact CG1-CG2 4.34Å; I168-I180 HydrophobicContact CG2-CD1 4.12Å; I168-A184 HydrophobicContact CD1-CB 3.24Å; I168-A186 PolarHBondContact N-O 2.92Å; I168-I187 HydrophobicContact CB-CG1 4.15Å; I168-I187 HydrophobicContact CD1-CG1 3.84Å; I168-I187 CarbonylContact O-C 3.52Å; I168-I187 WeakPolarHBondContact O-CA 3.18Å; I168-T188 PolarHBondContact O-N 3.42Å |
| 169 | Y | 98.5 | Very high | 97.1 | Very high | 75 Ų | 75 | 55.7 Ų | 55.7 | 29% | 0.294 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 115.5 | 174.4 | -169.5 | -100.5 | 0 | 0 | 0 | 108.9 | W146 K147 V148 Y171 T188 D190 | W146-Y169 PolarHBondContact O-N 3.47Å; K147-Y169 WeakPolarHBondContact CA-O 3.32Å; V148-Y169 PolarHBondContact N-O 3.5Å; Y169-Y171 HydrophobicContact CE1-CD2 4.18Å; Y169-Y171 HydrophobicContact CE1-CG 4.13Å; Y169-T188 HydrophobicContact CD2-CG2 3.85Å; Y169-T188 HydrophobicContact CE2-CG2 3.69Å; Y169-D190 HydrophobicContact CE2-CB 4.33Å; Y169-D190 WeakPolarHBondContact OH-CB 3.47Å; Y169-D190 PolarHBondContact OH-OD2 3.03Å |
| 170 | I | 98.5 | Very high | 97.2 | Very high | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 113.7 | -176.7 | -55.3 | 175 | 0 | 0 | 0 | 107.6 | V148 I168 C173 I178 I180 I187 T188 L189 D190 V197 | V148-I170 HydrophobicContact CB-CG1 4.21Å; V148-I170 HydrophobicContact CB-CG2 4.42Å; V148-I170 HydrophobicContact CG1-CG2 4.46Å; V148-I170 WeakPolarHBondContact O-CA 3.31Å; I168-I170 HydrophobicContact CG2-CD1 4.35Å; I168-I170 HydrophobicContact CG2-CG1 3.85Å; I170-C173 HydrophobicContact CG2-CB 4.17Å; I170-I178 HydrophobicContact CB-CD1 4.41Å; I170-I178 HydrophobicContact CD1-CD1 3.94Å; I170-I178 HydrophobicContact CD1-CG2 4.21Å; I170-I178 HydrophobicContact CG1-CD1 4.29Å; I170-I178 HydrophobicContact CG2-CD1 3.3Å; I170-I180 HydrophobicContact CD1-CD1 4.38Å; I170-I187 HydrophobicContact CD1-CG2 4.06Å; I170-T188 PolarHBondContact N-O 3.4Å; I170-L189 HydrophobicContact CB-CG 4.34Å; I170-L189 HydrophobicContact CD1-CG 4.23Å; I170-L189 WeakPolarHBondContact O-CA 3.35Å; I170-D190 PolarHBondContact O-N 2.76Å; I170-V197 HydrophobicContact CD1-CG1 4Å; I170-V197 HydrophobicContact CD1-CG2 3.74Å |
| 171 | Y | 98.1 | Very high | 97.3 | Very high | 71 Ų | 71 | 55.2 Ų | 55.2 | 28% | 0.278 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 130.2 | -170.8 | -177.2 | -118.3 | 0 | 0 | 0 | 112.2 | V148 D149 H150 Y169 C173 D190 | V148-Y171 PolarHBondContact O-N 3.16Å; D149-Y171 WeakPolarHBondContact CA-O 3.36Å; D149-Y171 WeakPolarHBondContact OD1-CB 3.34Å; H150-Y171 AromaticContact CE1-CD1 3.77Å; H150-Y171 AromaticContact CE1-CE1 3.77Å; H150-Y171 PolarHBondContact N-O 3.28Å; H150-Y171 AromaticContact NE2-CE1 3.95Å; Y169-Y171 HydrophobicContact CE1-CD2 4.18Å; Y169-Y171 HydrophobicContact CE1-CG 4.13Å; Y171-C173 PolarHBondContact O-N 3.17Å; Y171-C173 VanDerWaalsContact O-N 3.08Å; Y171-D190 WeakPolarHBondContact CA-O 3.3Å; Y171-D190 HydrophobicContact CD2-CB 4.12Å |
| 172 | K | 97.6 | Very high | 97.3 | Very high | 94 Ų | 94 | 55.6 Ų | 55.6 | 41% | 0.409 | 27% | 0.271 | S | S | . | . | S | Bend | trans | 50.2 | 36.2 | 173.6 | -75.7 | -171.7 | 172 | -177.1 | 0 | 114.8 | H150 D190 | H150-K172 WeakPolarHBondContact NE2-CD 3.36Å; K172-D190 PolarHBondContact N-O 2.82Å |
| 173 | C | 97.5 | Very high | 97.5 | Very high | 1 Ų | 1 | 53.5 Ų | 53.5 | 1% | 0.007 | 25% | 0.251 | C | S | . | . | trans | -78.4 | 140 | 172.4 | -65.5 | 0 | 0 | 0 | 0 | 110.4 | Q151 I170 Y171 I178 C192 R193 T195 | Q151-C173 HydrophobicContact CB-CB 4.17Å; Q151-C173 VanDerWaalsContact CB-SG 3.59Å; Q151-C173 CarbonylContact O-C 3.52Å; Q151-C173 VanDerWaalsContact O-CA 3.25Å; Q151-C173 WeakPolarHBondContact O-CA 3.34Å; I170-C173 HydrophobicContact CG2-CB 4.17Å; Y171-C173 PolarHBondContact O-N 3.17Å; Y171-C173 VanDerWaalsContact O-N 3.08Å; C173-I178 HydrophobicContact CB-CD1 4.32Å; C173-C192 HydrophobicContact CB-CB 4.5Å; C173-C192 PolarHBondContact N-SG 3.07Å; C173-C192 VanDerWaalsContact N-SG 3.44Å; C173-C192 CarbonylContact O-C 3.56Å; C173-C192 WeakPolarHBondContact O-CA 3.33Å; C173-R193 PolarHBondContact O-N 2.78Å; C173-T195 HydrophobicContact CB-CG2 4.09Å; C173-T195 PolarHBondContact O-OG1 2.97Å | ||
| 174 | N | 97.8 | Very high | 97.6 | Very high | 65 Ų | 65 | 50.3 Ų | 50.3 | 35% | 0.348 | 23% | 0.234 | S | C | . | . | B | Isolated β-bridge | trans | -130.9 | 131.4 | 180 | -168.1 | -8.8 | 0 | 0 | 0 | 110 | Q151 V152 G153 S176 R193 | Q151-N174 PolarHBondContact O-N 3.17Å; V152-N174 CarbonylContact C-O 3.54Å; V152-N174 VanDerWaalsContact CA-O 3.29Å; V152-N174 WeakPolarHBondContact CA-O 3.42Å; V152-N174 HydrophobicContact CG2-CB 4.45Å; G153-N174 PolarHBondContact N-O 2.89Å; N174-S176 PolarHBondContact O-N 3.31Å; N174-S176 VanDerWaalsContact O-N 3.16Å; N174-S176 PolarHBondContact O-OG 2.86Å; N174-R193 CarbonylContact C-O 3.49Å; N174-R193 VanDerWaalsContact CA-O 3.25Å; N174-R193 WeakPolarHBondContact CA-O 3.49Å |
| 175 | D | 97.7 | Very high | 97.8 | Very high | 74 Ų | 74 | 46.6 Ų | 46.6 | 40% | 0.396 | 22% | 0.22 | S | C | . | . | S | Bend | trans | 50.1 | 43.7 | 176.5 | -168.5 | 30.3 | 0 | 0 | 0 | 112.8 | G153 K155 R193 K194 | G153-D175 CarbonylContact C-O 3.52Å; G153-D175 WeakPolarHBondContact CA-O 3.24Å; G153-D175 PolarHBondContact N-O 2.87Å; K155-D175 WeakPolarHBondContact CE-O 3.5Å; K155-D175 PolarHBondContact NZ-O 2.89Å; K155-D175 IonicContact NZ-OD1 2.63Å; K155-D175 PolarHBondContact NZ-OD1 2.96Å; K155-D175 IonicContact NZ-OD2 4Å; D175-R193 PolarHBondContact N-O 2.84Å; D175-K194 VanDerWaalsContact CA-O 3.24Å; D175-K194 WeakPolarHBondContact CA-O 3.36Å; D175-K194 PolarHBondContact N-O 3.23Å |
| 176 | S | 97.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 19% | 0.194 | C | C | . | . | trans | -123.6 | 156.8 | -172.5 | -65.4 | 0 | 0 | 0 | 0 | 112.1 | Q151 G153 N154 N174 T195 S196 | Q151-S176 VanDerWaalsContact C-OG 3.3Å; Q151-S176 PolarHBondContact O-OG 2.89Å; Q151-S176 VanDerWaalsContact O-OG 3.12Å; G153-S176 PolarHBondContact N-OG 2.85Å; N154-S176 PolarHBondContact N-OG 3.09Å; N154-S176 CarbonylContact O-C 3.56Å; N154-S176 WeakPolarHBondContact O-CA 3.45Å; N154-S176 VanDerWaalsContact O-CB 3.25Å; N154-S176 WeakPolarHBondContact O-CB 3.22Å; N174-S176 PolarHBondContact O-N 3.31Å; N174-S176 VanDerWaalsContact O-N 3.16Å; N174-S176 PolarHBondContact O-OG 2.86Å; S176-T195 CarbonylContact O-C 3.56Å; S176-T195 VanDerWaalsContact O-CA 3.28Å; S176-T195 WeakPolarHBondContact O-CA 3.35Å; S176-S196 PolarHBondContact O-N 3.46Å | ||
| 177 | I | 98.1 | Very high | 98 | Very high | 49 Ų | 49 | 39.4 Ų | 39.4 | 25% | 0.251 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 122.7 | 171.6 | -60.4 | 172.9 | 0 | 0 | 0 | 107.7 | N154 K155 A157 K179 S196 | N154-I177 PolarHBondContact O-N 3.3Å; K155-I177 HydrophobicContact CB-CD1 4.23Å; K155-I177 HydrophobicContact CD-CB 4.37Å; K155-I177 HydrophobicContact CD-CD1 3.74Å; K155-I177 HydrophobicContact CD-CG1 3.67Å; K155-I177 HydrophobicContact CG-CD1 4.46Å; A157-I177 PolarHBondContact N-O 2.96Å; I177-K179 HydrophobicContact CG2-CG 4.39Å; I177-S196 WeakPolarHBondContact CA-O 3.48Å |
| 178 | I | 98.2 | Very high | 98 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 120 | -177.6 | -58 | 162.3 | 0 | 0 | 0 | 108.1 | V148 A157 I170 C173 I180 T195 S196 V197 V198 | V148-I178 HydrophobicContact CG1-CD1 3.81Å; V148-I178 HydrophobicContact CG1-CG1 4.25Å; A157-I178 HydrophobicContact CB-CG1 4.07Å; A157-I178 WeakPolarHBondContact O-CA 3.48Å; I170-I178 HydrophobicContact CB-CD1 4.41Å; I170-I178 HydrophobicContact CD1-CD1 3.94Å; I170-I178 HydrophobicContact CD1-CG2 4.21Å; I170-I178 HydrophobicContact CG1-CD1 4.29Å; I170-I178 HydrophobicContact CG2-CD1 3.3Å; C173-I178 HydrophobicContact CB-CD1 4.32Å; I178-I180 HydrophobicContact CG2-CG1 4.24Å; I178-T195 HydrophobicContact CD1-CG2 3.93Å; I178-S196 PolarHBondContact N-O 3Å; I178-V197 HydrophobicContact CB-CG2 4.31Å; I178-V197 HydrophobicContact CD1-CG2 4.46Å; I178-V197 WeakPolarHBondContact O-CA 3.38Å; I178-V198 PolarHBondContact O-N 3.39Å |
| 179 | K | 98.4 | Very high | 98 | Very high | 97 Ų | 97 | 39.6 Ų | 39.6 | 42% | 0.422 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 120.1 | 178.7 | -60.4 | 177.7 | -176.1 | 175.8 | 0 | 109 | A157 V158 V159 I177 V198 | A157-K179 PolarHBondContact O-N 3.35Å; V158-K179 CarbonylContact C-O 3.52Å; V158-K179 VanDerWaalsContact CA-O 3.29Å; V158-K179 WeakPolarHBondContact CA-O 3.37Å; V158-K179 HydrophobicContact CG2-CB 4.37Å; V159-K179 PolarHBondContact N-O 2.96Å; I177-K179 HydrophobicContact CG2-CG 4.39Å; K179-V198 CarbonylContact C-O 3.58Å; K179-V198 WeakPolarHBondContact CA-O 3.45Å |
| 180 | I | 98.2 | Very high | 98 | Very high | 3 Ų | 3 | 37.7 Ų | 37.7 | 2% | 0.015 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 109 | 179.4 | -59.7 | 164.3 | 0 | 0 | 0 | 107.4 | V159 V161 I168 I170 I178 I187 V197 V198 F199 D200 | V159-I180 HydrophobicContact CB-CG1 4.35Å; V159-I180 WeakPolarHBondContact O-CA 3.33Å; V161-I180 HydrophobicContact CG2-CG2 3.72Å; I168-I180 HydrophobicContact CB-CD1 4.32Å; I168-I180 HydrophobicContact CD1-CD1 4.37Å; I168-I180 HydrophobicContact CD1-CG2 3.97Å; I168-I180 HydrophobicContact CG1-CD1 4.22Å; I168-I180 HydrophobicContact CG1-CG2 4.34Å; I168-I180 HydrophobicContact CG2-CD1 4.12Å; I170-I180 HydrophobicContact CD1-CD1 4.38Å; I178-I180 HydrophobicContact CG2-CG1 4.24Å; I180-I187 HydrophobicContact CD1-CD1 3.4Å; I180-I187 HydrophobicContact CD1-CG1 3.85Å; I180-I187 HydrophobicContact CD1-CG2 4.46Å; I180-V197 HydrophobicContact CD1-CG1 3.79Å; I180-V198 PolarHBondContact N-O 3.49Å; I180-F199 HydrophobicContact CB-CB 3.85Å; I180-F199 HydrophobicContact CD1-CB 4.39Å; I180-F199 HydrophobicContact CG2-CB 4.4Å; I180-F199 WeakPolarHBondContact O-CA 3.21Å; I180-D200 PolarHBondContact O-N 2.87Å |
| 181 | K | 97.9 | Very high | 98 | Very high | 100 Ų | 100 | 38.4 Ų | 38.4 | 44% | 0.435 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 142.2 | 175.9 | -60.7 | -176.4 | -167.9 | 162 | 0 | 109.7 | V158 V159 E160 V161 | V158-K181 HydrophobicContact CG1-CD 4.29Å; V158-K181 HydrophobicContact CG1-CG 4.34Å; V159-K181 PolarHBondContact O-N 2.8Å; E160-K181 HydrophobicContact CG-CB 4.5Å; E160-K181 HydrophobicContact CG-CD 4.3Å; E160-K181 IonicContact OE1-NZ 2.68Å; E160-K181 PolarHBondContact OE1-NZ 3.2Å; V161-K181 WeakPolarHBondContact CB-O 3.22Å; V161-K181 PolarHBondContact N-O 3.34Å |
| 182 | G | 96.9 | Very high | 98 | Very high | 22 Ų | 22 | 35 Ų | 35 | 23% | 0.227 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 87.6 | 160.1 | -175.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | D200 | G182-D200 PolarHBondContact N-OD2 2.99Å |
| 183 | K | 97.4 | Very high | 98.1 | Very high | 86 Ų | 86 | 36.5 Ų | 36.5 | 37% | 0.374 | 18% | 0.184 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 126.4 | 178.6 | -170.2 | 170.9 | -168.5 | 167.1 | 0 | 109.6 | V161 K164 G201 V203 E221 | V161-K183 WeakPolarHBondContact CG1-O 3.24Å; K164-K183 VanDerWaalsContact CA-O 3.28Å; K164-K183 WeakPolarHBondContact CA-O 3.28Å; K183-G201 WeakPolarHBondContact CA-O 3.28Å; K183-V203 HydrophobicContact CD-CG2 4.36Å; K183-V203 HydrophobicContact CG-CG2 4.35Å; K183-E221 IonicContact NZ-OE2 2.89Å; K183-E221 PolarHBondContact NZ-OE2 2.85Å |
| 184 | A | 98 | Very high | 98.1 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 170.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112 | V161 K164 I168 G201 L202 V203 | V161-A184 HydrophobicContact CG1-CB 4.03Å; V161-A184 HydrophobicContact CG2-CB 4.26Å; K164-A184 CarbonylContact O-C 3.6Å; I168-A184 HydrophobicContact CD1-CB 3.24Å; A184-G201 PolarHBondContact N-O 3.49Å; A184-G201 VanDerWaalsContact N-O 3.15Å; A184-L202 HydrophobicContact CB-CD2 3.79Å; A184-L202 CarbonylContact O-C 3.56Å; A184-L202 VanDerWaalsContact O-CA 3.31Å; A184-L202 WeakPolarHBondContact O-CA 3.27Å; A184-V203 PolarHBondContact O-N 2.89Å |
| 185 | N | 98.1 | Very high | 98.1 | Very high | 54 Ų | 54 | 39.6 Ų | 39.6 | 29% | 0.289 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | -55.6 | 174.2 | -175.7 | 56.1 | 0 | 0 | 0 | 110.9 | K164 E166 V203 A204 | K164-N185 VanDerWaalsContact O-CA 3.27Å; K164-N185 WeakPolarHBondContact O-CA 3.18Å; K164-N185 VanDerWaalsContact O-CB 3.25Å; K164-N185 WeakPolarHBondContact O-CB 3.1Å; K164-N185 PolarHBondContact O-N 3.24Å; K164-N185 VanDerWaalsContact O-N 3.07Å; E166-N185 WeakPolarHBondContact O-CB 3.16Å; E166-N185 PolarHBondContact O-N 3.12Å; N185-V203 PolarHBondContact O-N 3.15Å; N185-A204 WeakPolarHBondContact O-CB 3.33Å; N185-A204 PolarHBondContact O-N 3.3Å |
| 186 | A | 98.3 | Very high | 98.2 | Very high | 13 Ų | 13 | 37.2 Ų | 37.2 | 11% | 0.107 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 154.3 | -175.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | S167 I168 Q205 | S167-A186 CarbonylContact C-O 3.54Å; S167-A186 VanDerWaalsContact CA-O 3.31Å; S167-A186 WeakPolarHBondContact CA-O 3.35Å; I168-A186 PolarHBondContact N-O 2.92Å; A186-Q205 VanDerWaalsContact CA-O 3.24Å; A186-Q205 WeakPolarHBondContact CA-O 3.43Å; A186-Q205 HydrophobicContact CB-CG 4.36Å; A186-Q205 WeakPolarHBondContact CB-O 3.31Å |
| 187 | I | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 134.9 | 171.4 | -65.2 | 164.7 | 0 | 0 | 0 | 108.1 | I168 I170 I180 L189 F199 L202 Q205 C206 E207 | I168-I187 HydrophobicContact CB-CG1 4.15Å; I168-I187 HydrophobicContact CD1-CG1 3.84Å; I168-I187 CarbonylContact O-C 3.52Å; I168-I187 WeakPolarHBondContact O-CA 3.18Å; I170-I187 HydrophobicContact CD1-CG2 4.06Å; I180-I187 HydrophobicContact CD1-CD1 3.4Å; I180-I187 HydrophobicContact CD1-CG1 3.85Å; I180-I187 HydrophobicContact CD1-CG2 4.46Å; I187-L189 HydrophobicContact CG2-CD1 3.75Å; I187-F199 HydrophobicContact CD1-CB 3.79Å; I187-F199 HydrophobicContact CD1-CD1 3.45Å; I187-F199 VanDerWaalsContact CD1-CD1 3.45Å; I187-F199 HydrophobicContact CD1-CD2 4.13Å; I187-F199 HydrophobicContact CD1-CE1 3.95Å; I187-F199 HydrophobicContact CD1-CG 3.53Å; I187-L202 HydrophobicContact CB-CD1 4.21Å; I187-L202 HydrophobicContact CD1-CD1 3.99Å; I187-L202 HydrophobicContact CD1-CD2 3.72Å; I187-L202 HydrophobicContact CD1-CG 4.27Å; I187-L202 HydrophobicContact CG1-CD1 4.09Å; I187-L202 HydrophobicContact CG1-CD2 3.75Å; I187-Q205 PolarHBondContact N-O 2.91Å; I187-Q205 VanDerWaalsContact N-O 3.13Å; I187-C206 CarbonylContact O-C 3.52Å; I187-C206 WeakPolarHBondContact O-CA 3.29Å; I187-E207 PolarHBondContact O-N 2.98Å |
| 188 | T | 98.7 | Very high | 98.2 | Very high | 27 Ų | 27 | 36.7 Ų | 36.7 | 17% | 0.166 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 126.4 | 170.8 | -57.6 | 0 | 0 | 0 | 0 | 109.4 | I168 Y169 I170 E207 I209 | I168-T188 PolarHBondContact O-N 3.42Å; Y169-T188 HydrophobicContact CD2-CG2 3.85Å; Y169-T188 HydrophobicContact CE2-CG2 3.69Å; I170-T188 PolarHBondContact N-O 3.4Å; T188-E207 CarbonylContact C-O 3.56Å; T188-E207 WeakPolarHBondContact CA-O 3.16Å; T188-E207 HydrophobicContact CG2-CB 4.38Å; T188-I209 HydrophobicContact CG2-CD1 4.15Å |
| 189 | L | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 126 | 170.3 | -62.7 | 87.4 | 0 | 0 | 0 | 108.6 | I170 I187 V197 E207 I208 I209 I214 I216 | I170-L189 HydrophobicContact CB-CG 4.34Å; I170-L189 HydrophobicContact CD1-CG 4.23Å; I170-L189 WeakPolarHBondContact O-CA 3.35Å; I187-L189 HydrophobicContact CG2-CD1 3.75Å; L189-V197 HydrophobicContact CD2-CG2 3.58Å; L189-V197 HydrophobicContact CG-CG2 4.34Å; L189-E207 PolarHBondContact N-O 2.83Å; L189-I208 HydrophobicContact CD1-CG1 4.04Å; L189-I209 PolarHBondContact O-N 2.79Å; L189-I214 HydrophobicContact CD2-CG2 3.95Å; L189-I216 HydrophobicContact CD1-CD1 3.85Å; L189-I216 HydrophobicContact CD2-CD1 3.83Å |
| 190 | D | 98.4 | Very high | 98.2 | Very high | 35 Ų | 35 | 35.4 Ų | 35.4 | 19% | 0.187 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 124.7 | 178.4 | -174 | 0.5 | 0 | 0 | 0 | 111.3 | Y169 I170 Y171 K172 C192 I209 | Y169-D190 HydrophobicContact CE2-CB 4.33Å; Y169-D190 WeakPolarHBondContact OH-CB 3.47Å; Y169-D190 PolarHBondContact OH-OD2 3.03Å; I170-D190 PolarHBondContact O-N 2.76Å; Y171-D190 WeakPolarHBondContact CA-O 3.3Å; Y171-D190 HydrophobicContact CD2-CB 4.12Å; K172-D190 PolarHBondContact N-O 2.82Å; D190-C192 PolarHBondContact O-N 3.08Å; D190-I209 WeakPolarHBondContact CA-O 3.33Å |
| 191 | G | 98.1 | Very high | 98.2 | Very high | 16 Ų | 16 | 35.4 Ų | 35.4 | 17% | 0.165 | 18% | 0.18 | C | C | . | . | S | Bend | trans | 69 | 18.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | I209 N210 | G191-I209 PolarHBondContact N-O 2.87Å; G191-I209 VanDerWaalsContact N-O 3.12Å; G191-N210 VanDerWaalsContact CA-O 3.29Å; G191-N210 WeakPolarHBondContact CA-O 3.25Å |
| 192 | C | 98.4 | Very high | 98.2 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 16% | 0.16 | C | C | . | . | trans | -83.7 | 149.8 | -178.2 | -63.2 | 0 | 0 | 0 | 0 | 111.7 | C173 D190 C211 Q212 I214 | C173-C192 HydrophobicContact CB-CB 4.5Å; C173-C192 PolarHBondContact N-SG 3.07Å; C173-C192 VanDerWaalsContact N-SG 3.44Å; C173-C192 CarbonylContact O-C 3.56Å; C173-C192 WeakPolarHBondContact O-CA 3.33Å; D190-C192 PolarHBondContact O-N 3.08Å; C192-C211 PolarHBondContact N-SG 2.91Å; C192-C211 CarbonylContact O-C 3.57Å; C192-C211 WeakPolarHBondContact O-CA 3.42Å; C192-C211 WeakPolarHBondContact O-CB 3.42Å; C192-Q212 PolarHBondContact O-N 3.44Å; C192-I214 HydrophobicContact CB-CD1 3.88Å | ||
| 193 | R | 98.3 | Very high | 98.2 | Very high | 124 Ų | 124 | 32.8 Ų | 32.8 | 47% | 0.468 | 17% | 0.168 | S | C | . | . | B | Isolated β-bridge | trans | -132.8 | 139.1 | 176.6 | -60 | -172.3 | -172.4 | -98 | -5.1 | 111 | C173 N174 D175 T195 Q212 | C173-R193 PolarHBondContact O-N 2.78Å; N174-R193 CarbonylContact C-O 3.49Å; N174-R193 VanDerWaalsContact CA-O 3.25Å; N174-R193 WeakPolarHBondContact CA-O 3.49Å; D175-R193 PolarHBondContact N-O 2.84Å; R193-T195 PolarHBondContact O-N 2.95Å; R193-T195 PolarHBondContact O-OG1 2.78Å; R193-Q212 CarbonylContact C-O 3.54Å; R193-Q212 VanDerWaalsContact CA-O 3.23Å; R193-Q212 WeakPolarHBondContact CA-O 3.25Å; R193-Q212 HydrophobicContact CG-CB 4.2Å |
| 194 | K | 98.1 | Very high | 98.3 | Very high | 132 Ų | 132 | 30.4 Ų | 30.4 | 57% | 0.574 | 17% | 0.165 | S | C | * | . | S | Bend | trans | 48.7 | 35.9 | 177.6 | -61.2 | -174.9 | 178.3 | -174 | 0 | 113 | D175 Q212 S213 | D175-K194 VanDerWaalsContact CA-O 3.24Å; D175-K194 WeakPolarHBondContact CA-O 3.36Å; D175-K194 PolarHBondContact N-O 3.23Å; K194-Q212 PolarHBondContact N-O 2.89Å; K194-S213 WeakPolarHBondContact CA-O 3.18Å; K194-S213 PolarHBondContact N-O 3.14Å |
| 195 | T | 98.4 | Very high | 98.3 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.182 | C | C | . | . | trans | -110.5 | 131 | -172.7 | -65.2 | 0 | 0 | 0 | 0 | 109.3 | C173 S176 I178 R193 V197 I214 Q215 | C173-T195 HydrophobicContact CB-CG2 4.09Å; C173-T195 PolarHBondContact O-OG1 2.97Å; S176-T195 CarbonylContact O-C 3.56Å; S176-T195 VanDerWaalsContact O-CA 3.28Å; S176-T195 WeakPolarHBondContact O-CA 3.35Å; I178-T195 HydrophobicContact CD1-CG2 3.93Å; R193-T195 PolarHBondContact O-N 2.95Å; R193-T195 PolarHBondContact O-OG1 2.78Å; T195-V197 HydrophobicContact CG2-CG2 4.3Å; T195-I214 WeakPolarHBondContact O-CA 3.29Å; T195-Q215 PolarHBondContact O-N 3.04Å; T195-Q215 VanDerWaalsContact O-N 3.15Å | ||
| 196 | S | 98.5 | Very high | 98.3 | Very high | 24 Ų | 24 | 31.5 Ų | 31.5 | 17% | 0.168 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 133.3 | 176.5 | -47.6 | 0 | 0 | 0 | 0 | 109.8 | S176 I177 I178 Q215 | S176-S196 PolarHBondContact O-N 3.46Å; I177-S196 WeakPolarHBondContact CA-O 3.48Å; I178-S196 PolarHBondContact N-O 3Å; S196-Q215 CarbonylContact C-O 3.49Å; S196-Q215 WeakPolarHBondContact CA-O 3.45Å; S196-Q215 PolarHBondContact OG-OE1 3.46Å; S196-Q215 VanDerWaalsContact OG-OE1 3.13Å |
| 197 | V | 98.6 | Very high | 98.3 | Very high | 1 Ų | 1 | 32.7 Ų | 32.7 | 1% | 0.006 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 125.4 | 177.8 | -174.8 | 0 | 0 | 0 | 0 | 109.5 | I170 I178 I180 L189 T195 F199 Q215 I216 Q217 | I170-V197 HydrophobicContact CD1-CG1 4Å; I170-V197 HydrophobicContact CD1-CG2 3.74Å; I178-V197 HydrophobicContact CB-CG2 4.31Å; I178-V197 HydrophobicContact CD1-CG2 4.46Å; I178-V197 WeakPolarHBondContact O-CA 3.38Å; I180-V197 HydrophobicContact CD1-CG1 3.79Å; L189-V197 HydrophobicContact CD2-CG2 3.58Å; L189-V197 HydrophobicContact CG-CG2 4.34Å; T195-V197 HydrophobicContact CG2-CG2 4.3Å; V197-F199 HydrophobicContact CG1-CD1 4.35Å; V197-Q215 PolarHBondContact N-O 2.81Å; V197-I216 HydrophobicContact CB-CD1 3.9Å; V197-I216 HydrophobicContact CG2-CD1 4.25Å; V197-I216 CarbonylContact O-C 3.49Å; V197-I216 WeakPolarHBondContact O-CA 3.29Å; V197-Q217 PolarHBondContact O-N 3.43Å |
| 198 | V | 98.5 | Very high | 98.3 | Very high | 36 Ų | 36 | 32.7 Ų | 32.7 | 22% | 0.218 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 129.9 | 176.5 | -173.1 | 0 | 0 | 0 | 0 | 108.4 | I178 K179 I180 Q217 L219 | I178-V198 PolarHBondContact O-N 3.39Å; K179-V198 CarbonylContact C-O 3.58Å; K179-V198 WeakPolarHBondContact CA-O 3.45Å; I180-V198 PolarHBondContact N-O 3.49Å; V198-Q217 WeakPolarHBondContact CA-O 3.42Å; V198-Q217 HydrophobicContact CG1-CB 4.31Å; V198-Q217 HydrophobicContact CG1-CG 4.43Å; V198-Q217 HydrophobicContact CG2-CB 4.24Å; V198-L219 HydrophobicContact CG1-CD1 4.24Å; V198-L219 HydrophobicContact CG1-CD2 4.35Å; V198-L219 HydrophobicContact CG1-CG 4.22Å |
| 199 | F | 98.4 | Very high | 98.3 | Very high | 1 Ų | 1 | 33.5 Ų | 33.5 | 0% | 0.004 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 152.5 | -178 | 62.7 | -97 | 0 | 0 | 0 | 113.6 | I180 I187 V197 L202 I216 Q217 T218 L219 L222 | I180-F199 HydrophobicContact CB-CB 3.85Å; I180-F199 HydrophobicContact CD1-CB 4.39Å; I180-F199 HydrophobicContact CG2-CB 4.4Å; I180-F199 WeakPolarHBondContact O-CA 3.21Å; I187-F199 HydrophobicContact CD1-CB 3.79Å; I187-F199 HydrophobicContact CD1-CD1 3.45Å; I187-F199 VanDerWaalsContact CD1-CD1 3.45Å; I187-F199 HydrophobicContact CD1-CD2 4.13Å; I187-F199 HydrophobicContact CD1-CE1 3.95Å; I187-F199 HydrophobicContact CD1-CG 3.53Å; V197-F199 HydrophobicContact CG1-CD1 4.35Å; F199-L202 HydrophobicContact CD2-CD1 4.43Å; F199-L202 HydrophobicContact CD2-CD2 4.35Å; F199-L202 HydrophobicContact CD2-CG 3.93Å; F199-L202 HydrophobicContact CE2-CD1 3.84Å; F199-L202 HydrophobicContact CE2-CD2 4.47Å; F199-L202 HydrophobicContact CE2-CG 3.59Å; F199-L202 HydrophobicContact CZ-CD1 3.87Å; F199-L202 HydrophobicContact CZ-CG 4.16Å; F199-I216 HydrophobicContact CD1-CG2 4.43Å; F199-I216 HydrophobicContact CE1-CG2 3.55Å; F199-I216 HydrophobicContact CZ-CG2 4.29Å; F199-Q217 PolarHBondContact N-O 2.78Å; F199-T218 VanDerWaalsContact CE2-CB 3.45Å; F199-T218 VanDerWaalsContact CE2-OG1 3.23Å; F199-T218 WeakPolarHBondContact CE2-OG1 3.46Å; F199-T218 CarbonylContact O-C 3.46Å; F199-T218 WeakPolarHBondContact O-CA 3.47Å; F199-L219 PolarHBondContact O-N 2.88Å; F199-L222 HydrophobicContact CE2-CD1 4.31Å; F199-L222 HydrophobicContact CZ-CD1 4.07Å; F199-L222 HydrophobicContact CZ-CD2 3.92Å; F199-L222 HydrophobicContact CZ-CG 4.5Å |
| 200 | D | 97.6 | Very high | 98.3 | Very high | 69 Ų | 69 | 36.4 Ų | 36.4 | 37% | 0.369 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | -40.6 | -176.6 | -69.3 | -8 | 0 | 0 | 0 | 113.2 | I180 G182 L219 G220 | I180-D200 PolarHBondContact O-N 2.87Å; G182-D200 PolarHBondContact N-OD2 2.99Å; D200-L219 CarbonylContact O-C 3.6Å; D200-G220 WeakPolarHBondContact O-CA 3.45Å; D200-G220 PolarHBondContact O-N 2.73Å |
| 201 | G | 97.4 | Very high | 98.3 | Very high | 3 Ų | 3 | 35 Ų | 35 | 3% | 0.031 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 170.5 | 164.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | K183 A184 E221 | K183-G201 WeakPolarHBondContact CA-O 3.28Å; A184-G201 PolarHBondContact N-O 3.49Å; A184-G201 VanDerWaalsContact N-O 3.15Å; G201-E221 CarbonylContact C-O 3.53Å; G201-E221 VanDerWaalsContact CA-O 3.31Å; G201-E221 WeakPolarHBondContact CA-O 3.44Å |
| 202 | L | 98.4 | Very high | 98.3 | Very high | 1 Ų | 1 | 37.9 Ų | 37.9 | 1% | 0.005 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 146.3 | -179 | -60.8 | 179.6 | 0 | 0 | 0 | 112.3 | A184 I187 F199 Q205 C206 E221 L222 P223 | A184-L202 HydrophobicContact CB-CD2 3.79Å; A184-L202 CarbonylContact O-C 3.56Å; A184-L202 VanDerWaalsContact O-CA 3.31Å; A184-L202 WeakPolarHBondContact O-CA 3.27Å; I187-L202 HydrophobicContact CB-CD1 4.21Å; I187-L202 HydrophobicContact CD1-CD1 3.99Å; I187-L202 HydrophobicContact CD1-CD2 3.72Å; I187-L202 HydrophobicContact CD1-CG 4.27Å; I187-L202 HydrophobicContact CG1-CD1 4.09Å; I187-L202 HydrophobicContact CG1-CD2 3.75Å; F199-L202 HydrophobicContact CD2-CD1 4.43Å; F199-L202 HydrophobicContact CD2-CD2 4.35Å; F199-L202 HydrophobicContact CD2-CG 3.93Å; F199-L202 HydrophobicContact CE2-CD1 3.84Å; F199-L202 HydrophobicContact CE2-CD2 4.47Å; F199-L202 HydrophobicContact CE2-CG 3.59Å; F199-L202 HydrophobicContact CZ-CD1 3.87Å; F199-L202 HydrophobicContact CZ-CG 4.16Å; L202-Q205 WeakPolarHBondContact CD1-O 3.25Å; L202-C206 HydrophobicContact CD1-CB 3.83Å; L202-E221 PolarHBondContact N-O 3.06Å; L202-L222 HydrophobicContact CB-CD1 4.11Å; L202-L222 HydrophobicContact CD1-CD1 3.71Å; L202-L222 HydrophobicContact CG-CD1 4.24Å; L202-P223 WeakPolarHBondContact O-CD 3.3Å |
| 203 | V | 98.1 | Very high | 98.3 | Very high | 66 Ų | 66 | 40.6 Ų | 40.6 | 40% | 0.4 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | -33.7 | 172.7 | 180 | 0 | 0 | 0 | 0 | 111.5 | K164 K183 A184 N185 | K164-V203 HydrophobicContact CB-CG2 3.99Å; K164-V203 HydrophobicContact CD-CG2 4.41Å; K164-V203 HydrophobicContact CG-CG2 4.47Å; K183-V203 HydrophobicContact CD-CG2 4.36Å; K183-V203 HydrophobicContact CG-CG2 4.35Å; A184-V203 PolarHBondContact O-N 2.89Å; N185-V203 PolarHBondContact O-N 3.15Å |
| 204 | A | 98 | Very high | 98.3 | Very high | 37 Ų | 37 | 34.8 Ų | 34.8 | 31% | 0.306 | 19% | 0.189 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | -79.5 | -172.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | N185 | N185-A204 WeakPolarHBondContact O-CB 3.33Å; N185-A204 PolarHBondContact O-N 3.3Å |
| 205 | Q | 98.1 | Very high | 98.3 | Very high | 76 Ų | 76 | 32.9 Ų | 32.9 | 36% | 0.355 | 18% | 0.182 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.1 | 155.7 | -168.5 | 67.6 | -179.7 | 10 | 0 | 0 | 114.4 | A186 I187 L202 T224 | A186-Q205 VanDerWaalsContact CA-O 3.24Å; A186-Q205 WeakPolarHBondContact CA-O 3.43Å; A186-Q205 HydrophobicContact CB-CG 4.36Å; A186-Q205 WeakPolarHBondContact CB-O 3.31Å; I187-Q205 PolarHBondContact N-O 2.91Å; I187-Q205 VanDerWaalsContact N-O 3.13Å; L202-Q205 WeakPolarHBondContact CD1-O 3.25Å; Q205-T224 CarbonylContact C-O 3.59Å; Q205-T224 WeakPolarHBondContact CA-O 3.38Å |
| 206 | C | 98.5 | Very high | 98.3 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 126.3 | 165.1 | -175.5 | 0 | 0 | 0 | 0 | 109.5 | I187 L202 L222 T224 V225 S226 | I187-C206 CarbonylContact O-C 3.52Å; I187-C206 WeakPolarHBondContact O-CA 3.29Å; L202-C206 HydrophobicContact CD1-CB 3.83Å; C206-L222 HydrophobicContact CB-CD1 4Å; C206-T224 PolarHBondContact N-O 3.04Å; C206-V225 HydrophobicContact CB-CG1 4.47Å; C206-V225 CarbonylContact O-C 3.49Å; C206-V225 VanDerWaalsContact O-CA 3.32Å; C206-V225 WeakPolarHBondContact O-CA 3.43Å; C206-S226 PolarHBondContact O-N 3.33Å |
| 207 | E | 98.6 | Very high | 98.3 | Very high | 39 Ų | 39 | 34.9 Ų | 34.9 | 18% | 0.182 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 128.3 | -179.4 | -166.5 | 173.6 | -161.1 | 0 | 0 | 110.8 | I187 T188 L189 I209 S226 Q228 | I187-E207 PolarHBondContact O-N 2.98Å; T188-E207 CarbonylContact C-O 3.56Å; T188-E207 WeakPolarHBondContact CA-O 3.16Å; T188-E207 HydrophobicContact CG2-CB 4.38Å; L189-E207 PolarHBondContact N-O 2.83Å; E207-I209 HydrophobicContact CG-CD1 3.82Å; E207-I209 HydrophobicContact CG-CG1 3.66Å; E207-S226 CarbonylContact C-O 3.54Å; E207-S226 WeakPolarHBondContact CA-O 3.48Å; E207-Q228 PolarHBondContact OE1-NE2 2.92Å |
| 208 | I | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 111.2 | -179.9 | -55 | 120.5 | 0 | 0 | 0 | 108 | L189 C211 I214 I216 V225 S226 I227 Q228 T230 I235 | L189-I208 HydrophobicContact CD1-CG1 4.04Å; I208-C211 HydrophobicContact CG2-CB 3.77Å; I208-I214 HydrophobicContact CG2-CG1 4.26Å; I208-I214 HydrophobicContact CG2-CG2 4.45Å; I208-I216 HydrophobicContact CD1-CG1 4.13Å; I208-I216 HydrophobicContact CG1-CD1 4.44Å; I208-I216 HydrophobicContact CG1-CG1 4.33Å; I208-V225 HydrophobicContact CD1-CG1 3.76Å; I208-S226 PolarHBondContact N-O 3.29Å; I208-I227 HydrophobicContact CD1-CG1 4.1Å; I208-Q228 PolarHBondContact O-N 3.26Å; I208-T230 HydrophobicContact CG2-CG2 3.86Å; I208-T230 PolarHBondContact O-OG1 3.13Å; I208-I235 HydrophobicContact CD1-CD1 4.47Å |
| 209 | I | 98.6 | Very high | 98.2 | Very high | 43 Ų | 43 | 37.7 Ų | 37.7 | 22% | 0.221 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 131.9 | -171.4 | -47.8 | 177.7 | 0 | 0 | 0 | 109.7 | T188 L189 D190 G191 E207 C211 Q228 | T188-I209 HydrophobicContact CG2-CD1 4.15Å; L189-I209 PolarHBondContact O-N 2.79Å; D190-I209 WeakPolarHBondContact CA-O 3.33Å; G191-I209 PolarHBondContact N-O 2.87Å; G191-I209 VanDerWaalsContact N-O 3.12Å; E207-I209 HydrophobicContact CG-CD1 3.82Å; E207-I209 HydrophobicContact CG-CG1 3.66Å; I209-C211 PolarHBondContact O-N 2.89Å; I209-C211 VanDerWaalsContact O-N 3.08Å; I209-C211 PolarHBondContact O-SG 3.47Å; I209-Q228 CarbonylContact C-O 3.46Å; I209-Q228 VanDerWaalsContact CA-O 3.3Å; I209-Q228 WeakPolarHBondContact CA-O 3.38Å |
| 210 | N | 98.5 | Very high | 98.1 | Very high | 62 Ų | 62 | 38 Ų | 38 | 33% | 0.332 | 21% | 0.206 | S | C | . | . | S | Bend | trans | 55.8 | 33.7 | 169.6 | -173 | 60.4 | 0 | 0 | 0 | 113 | G191 Q228 K229 | G191-N210 VanDerWaalsContact CA-O 3.29Å; G191-N210 WeakPolarHBondContact CA-O 3.25Å; N210-Q228 PolarHBondContact N-O 2.9Å; N210-K229 WeakPolarHBondContact CA-O 3.23Å; N210-K229 HydrophobicContact CB-CD 4.32Å; N210-K229 PolarHBondContact N-O 3.27Å; N210-K229 PolarHBondContact OD1-NZ 2.88Å |
| 211 | C | 98.7 | Very high | 98.1 | Very high | 4 Ų | 4 | 39.6 Ų | 39.6 | 3% | 0.027 | 21% | 0.211 | C | C | . | . | trans | -105.5 | 171.2 | -174.6 | -69.5 | 0 | 0 | 0 | 0 | 112.4 | C192 I208 I209 I214 T230 D231 | C192-C211 PolarHBondContact N-SG 2.91Å; C192-C211 CarbonylContact O-C 3.57Å; C192-C211 WeakPolarHBondContact O-CA 3.42Å; C192-C211 WeakPolarHBondContact O-CB 3.42Å; I208-C211 HydrophobicContact CG2-CB 3.77Å; I209-C211 PolarHBondContact O-N 2.89Å; I209-C211 VanDerWaalsContact O-N 3.08Å; I209-C211 PolarHBondContact O-SG 3.47Å; C211-I214 HydrophobicContact CB-CD1 3.92Å; C211-I214 HydrophobicContact CB-CG1 3.42Å; C211-I214 VanDerWaalsContact CB-CG1 3.42Å; C211-T230 HydrophobicContact CB-CG2 3.88Å; C211-T230 PolarHBondContact N-OG1 2.95Å; C211-T230 VanDerWaalsContact O-CA 3.3Å; C211-T230 WeakPolarHBondContact O-CA 3.43Å; C211-T230 WeakPolarHBondContact O-CG2 3.47Å; C211-D231 PolarHBondContact O-N 3.39Å | ||
| 212 | Q | 98.6 | Very high | 98.1 | Very high | 77 Ų | 77 | 39.6 Ų | 39.6 | 36% | 0.36 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 136.4 | 173.3 | -168.1 | -175 | 15.1 | 0 | 0 | 112.5 | C192 R193 K194 D231 | C192-Q212 PolarHBondContact O-N 3.44Å; R193-Q212 CarbonylContact C-O 3.54Å; R193-Q212 VanDerWaalsContact CA-O 3.23Å; R193-Q212 WeakPolarHBondContact CA-O 3.25Å; R193-Q212 HydrophobicContact CG-CB 4.2Å; K194-Q212 PolarHBondContact N-O 2.89Å; Q212-D231 CarbonylContact C-O 3.59Å; Q212-D231 WeakPolarHBondContact CA-O 3.43Å; Q212-D231 HydrophobicContact CG-CB 4.49Å; Q212-D231 WeakPolarHBondContact CG-O 3.5Å |
| 213 | S | 98.1 | Very high | 98.1 | Very high | 57 Ų | 57 | 42.1 Ų | 42.1 | 40% | 0.399 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 52.2 | 57.1 | 178.4 | -50.4 | 0 | 0 | 0 | 0 | 112.2 | K194 D231 G232 | K194-S213 WeakPolarHBondContact CA-O 3.18Å; K194-S213 PolarHBondContact N-O 3.14Å; S213-D231 PolarHBondContact N-O 3.01Å; S213-G232 CarbonylContact C-O 3.55Å; S213-G232 WeakPolarHBondContact CA-O 3.25Å; S213-G232 PolarHBondContact N-O 3.31Å |
| 214 | I | 98.6 | Very high | 98.1 | Very high | 2 Ų | 2 | 40.6 Ų | 40.6 | 1% | 0.01 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 142.9 | -179.2 | -60.3 | -55.3 | 0 | 0 | 0 | 110.5 | L189 C192 T195 I208 C211 I216 G232 C233 H234 | L189-I214 HydrophobicContact CD2-CG2 3.95Å; C192-I214 HydrophobicContact CB-CD1 3.88Å; T195-I214 WeakPolarHBondContact O-CA 3.29Å; I208-I214 HydrophobicContact CG2-CG1 4.26Å; I208-I214 HydrophobicContact CG2-CG2 4.45Å; C211-I214 HydrophobicContact CB-CD1 3.92Å; C211-I214 HydrophobicContact CB-CG1 3.42Å; C211-I214 VanDerWaalsContact CB-CG1 3.42Å; I214-I216 HydrophobicContact CG2-CD1 3.65Å; I214-I216 HydrophobicContact CG2-CG1 3.9Å; I214-G232 PolarHBondContact N-O 3.47Å; I214-C233 WeakPolarHBondContact O-CA 3.44Å; I214-H234 PolarHBondContact O-N 2.87Å |
| 215 | Q | 98.5 | Very high | 98.1 | Very high | 93 Ų | 93 | 38.8 Ų | 38.8 | 44% | 0.435 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 131.3 | 167.3 | -66.6 | 177.8 | -21.1 | 0 | 0 | 109.8 | T195 S196 V197 H234 | T195-Q215 PolarHBondContact O-N 3.04Å; T195-Q215 VanDerWaalsContact O-N 3.15Å; S196-Q215 CarbonylContact C-O 3.49Å; S196-Q215 WeakPolarHBondContact CA-O 3.45Å; S196-Q215 PolarHBondContact OG-OE1 3.46Å; S196-Q215 VanDerWaalsContact OG-OE1 3.13Å; V197-Q215 PolarHBondContact N-O 2.81Å; Q215-H234 CarbonylContact C-O 3.55Å; Q215-H234 VanDerWaalsContact CA-O 3.29Å; Q215-H234 WeakPolarHBondContact CA-O 3.48Å; Q215-H234 HydrophobicContact CG-CB 4.36Å |
| 216 | I | 98.3 | Very high | 98.2 | Very high | 1 Ų | 1 | 35.7 Ų | 35.7 | 1% | 0.005 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 135.4 | 177.1 | -57.8 | -61.2 | 0 | 0 | 0 | 108.5 | L189 V197 F199 I208 I214 H234 I235 Y236 | L189-I216 HydrophobicContact CD1-CD1 3.85Å; L189-I216 HydrophobicContact CD2-CD1 3.83Å; V197-I216 HydrophobicContact CB-CD1 3.9Å; V197-I216 HydrophobicContact CG2-CD1 4.25Å; V197-I216 CarbonylContact O-C 3.49Å; V197-I216 WeakPolarHBondContact O-CA 3.29Å; F199-I216 HydrophobicContact CD1-CG2 4.43Å; F199-I216 HydrophobicContact CE1-CG2 3.55Å; F199-I216 HydrophobicContact CZ-CG2 4.29Å; I208-I216 HydrophobicContact CD1-CG1 4.13Å; I208-I216 HydrophobicContact CG1-CD1 4.44Å; I208-I216 HydrophobicContact CG1-CG1 4.33Å; I214-I216 HydrophobicContact CG2-CD1 3.65Å; I214-I216 HydrophobicContact CG2-CG1 3.9Å; I216-H234 PolarHBondContact N-O 2.96Å; I216-I235 HydrophobicContact CB-CB 4.49Å; I216-I235 HydrophobicContact CB-CG1 4.06Å; I216-I235 HydrophobicContact CB-CG2 4.38Å; I216-I235 HydrophobicContact CG1-CG1 4.33Å; I216-I235 HydrophobicContact CG2-CG2 4.47Å; I216-I235 CarbonylContact O-C 3.54Å; I216-I235 WeakPolarHBondContact O-CA 3.23Å; I216-Y236 WeakPolarHBondContact O-CD2 3.12Å; I216-Y236 PolarHBondContact O-N 3.13Å |
| 217 | Q | 98.2 | Very high | 98.2 | Very high | 65 Ų | 65 | 35.7 Ų | 35.7 | 30% | 0.304 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 122.7 | 172.3 | -177.6 | 177 | 9.3 | 0 | 0 | 110.1 | V197 V198 F199 L219 Y236 | V197-Q217 PolarHBondContact O-N 3.43Å; V198-Q217 WeakPolarHBondContact CA-O 3.42Å; V198-Q217 HydrophobicContact CG1-CB 4.31Å; V198-Q217 HydrophobicContact CG1-CG 4.43Å; V198-Q217 HydrophobicContact CG2-CB 4.24Å; F199-Q217 PolarHBondContact N-O 2.78Å; Q217-L219 HydrophobicContact CG-CD2 4.34Å; Q217-Y236 WeakPolarHBondContact CA-O 3.42Å |
| 218 | T | 97.8 | Very high | 98.2 | Very high | 2 Ų | 2 | 37.1 Ų | 37.1 | 1% | 0.012 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 139.1 | 169.1 | -173.7 | 0 | 0 | 0 | 0 | 109.7 | F199 G220 L222 Y236 L237 S238 A241 | F199-T218 VanDerWaalsContact CE2-CB 3.45Å; F199-T218 VanDerWaalsContact CE2-OG1 3.23Å; F199-T218 WeakPolarHBondContact CE2-OG1 3.46Å; F199-T218 CarbonylContact O-C 3.46Å; F199-T218 WeakPolarHBondContact O-CA 3.47Å; T218-G220 PolarHBondContact OG1-N 3.08Å; T218-G220 PolarHBondContact OG1-O 2.85Å; T218-L222 HydrophobicContact CG2-CB 4.12Å; T218-L222 HydrophobicContact CG2-CD2 4.04Å; T218-Y236 PolarHBondContact N-O 3.37Å; T218-Y236 VanDerWaalsContact N-O 3.1Å; T218-L237 HydrophobicContact CG2-CD2 4.34Å; T218-S238 WeakPolarHBondContact O-CB 3.29Å; T218-A241 HydrophobicContact CG2-CB 3.73Å |
| 219 | L | 97.1 | Very high | 98.1 | Very high | 93 Ų | 93 | 43.1 Ų | 43.1 | 49% | 0.487 | 22% | 0.222 | S | C | . | . | S | Bend | trans | -97 | -9.8 | 174.3 | -55 | 178.3 | 0 | 0 | 0 | 112.5 | V198 F199 D200 Q217 | V198-L219 HydrophobicContact CG1-CD1 4.24Å; V198-L219 HydrophobicContact CG1-CD2 4.35Å; V198-L219 HydrophobicContact CG1-CG 4.22Å; F199-L219 PolarHBondContact O-N 2.88Å; D200-L219 CarbonylContact O-C 3.6Å; Q217-L219 HydrophobicContact CG-CD2 4.34Å |
| 220 | G | 96 | Very high | 98.1 | Very high | 8 Ų | 8 | 41 Ų | 41 | 8% | 0.082 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -150.1 | -152.8 | -177.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | D200 T218 S238 | D200-G220 WeakPolarHBondContact O-CA 3.45Å; D200-G220 PolarHBondContact O-N 2.73Å; T218-G220 PolarHBondContact OG1-N 3.08Å; T218-G220 PolarHBondContact OG1-O 2.85Å; G220-S238 VanDerWaalsContact C-OG 3.3Å; G220-S238 PolarHBondContact O-OG 3.44Å |
| 221 | E | 97.2 | Very high | 98.1 | Very high | 102 Ų | 102 | 41.8 Ų | 41.8 | 48% | 0.477 | 22% | 0.216 | S | C | . | . | trans | -58.1 | 138.1 | -172.6 | -64.5 | 173.1 | -175.3 | 0 | 0 | 113.6 | K183 G201 L202 D240 | K183-E221 IonicContact NZ-OE2 2.89Å; K183-E221 PolarHBondContact NZ-OE2 2.85Å; G201-E221 CarbonylContact C-O 3.53Å; G201-E221 VanDerWaalsContact CA-O 3.31Å; G201-E221 WeakPolarHBondContact CA-O 3.44Å; L202-E221 PolarHBondContact N-O 3.06Å; E221-D240 HydrophobicContact CG-CB 4.12Å | ||
| 222 | L | 98.2 | Very high | 98 | Very high | 4 Ų | 4 | 42 Ų | 42 | 2% | 0.021 | 22% | 0.219 | C | C | . | . | trans | -147.9 | 104.8 | 173.2 | 175.4 | 60.2 | 0 | 0 | 0 | 109.3 | F199 L202 C206 T218 V225 L237 A241 A244 | F199-L222 HydrophobicContact CE2-CD1 4.31Å; F199-L222 HydrophobicContact CZ-CD1 4.07Å; F199-L222 HydrophobicContact CZ-CD2 3.92Å; F199-L222 HydrophobicContact CZ-CG 4.5Å; L202-L222 HydrophobicContact CB-CD1 4.11Å; L202-L222 HydrophobicContact CD1-CD1 3.71Å; L202-L222 HydrophobicContact CG-CD1 4.24Å; C206-L222 HydrophobicContact CB-CD1 4Å; T218-L222 HydrophobicContact CG2-CB 4.12Å; T218-L222 HydrophobicContact CG2-CD2 4.04Å; L222-V225 HydrophobicContact CD1-CG2 4.34Å; L222-V225 HydrophobicContact CD2-CG2 3.47Å; L222-V225 VanDerWaalsContact CD2-CG2 3.47Å; L222-V225 HydrophobicContact CG-CG2 3.92Å; L222-L237 HydrophobicContact CD2-CD2 4.12Å; L222-A241 HydrophobicContact CB-CB 3.84Å; L222-A244 WeakPolarHBondContact O-CB 3.34Å | ||
| 223 | P | 98 | Very high | 97.9 | Very high | 54 Ų | 54 | 38.5 Ų | 38.5 | 35% | 0.351 | 20% | 0.203 | S | C | . | . | trans | -73.2 | -41.5 | -175.5 | -22.7 | 34.1 | 0 | 0 | 0 | 114.5 | L202 A244 Q245 | L202-P223 WeakPolarHBondContact O-CD 3.3Å; P223-A244 CarbonylContact O-C 3.6Å; P223-A244 WeakPolarHBondContact O-CA 3.49Å; P223-Q245 PolarHBondContact O-N 2.89Å | ||
| 224 | T | 98.3 | Very high | 97.9 | Very high | 33 Ų | 33 | 37.3 Ų | 37.3 | 20% | 0.202 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 139.6 | -173 | -56.4 | 0 | 0 | 0 | 0 | 111.7 | Q205 C206 Q245 | Q205-T224 CarbonylContact C-O 3.59Å; Q205-T224 WeakPolarHBondContact CA-O 3.38Å; C206-T224 PolarHBondContact N-O 3.04Å; T224-Q245 CarbonylContact C-O 3.6Å; T224-Q245 WeakPolarHBondContact CA-O 3.22Å |
| 225 | V | 98.5 | Very high | 97.9 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 132.6 | 168.5 | -170.3 | 0 | 0 | 0 | 0 | 110 | C206 I208 L222 I227 I235 Q245 I246 V247 | C206-V225 HydrophobicContact CB-CG1 4.47Å; C206-V225 CarbonylContact O-C 3.49Å; C206-V225 VanDerWaalsContact O-CA 3.32Å; C206-V225 WeakPolarHBondContact O-CA 3.43Å; I208-V225 HydrophobicContact CD1-CG1 3.76Å; L222-V225 HydrophobicContact CD1-CG2 4.34Å; L222-V225 HydrophobicContact CD2-CG2 3.47Å; L222-V225 VanDerWaalsContact CD2-CG2 3.47Å; L222-V225 HydrophobicContact CG-CG2 3.92Å; V225-I227 HydrophobicContact CG1-CG1 4.22Å; V225-I235 HydrophobicContact CB-CD1 4.49Å; V225-I235 HydrophobicContact CG1-CD1 3.67Å; V225-Q245 PolarHBondContact N-O 3.02Å; V225-I246 HydrophobicContact CB-CD1 3.67Å; V225-I246 HydrophobicContact CG2-CD1 3.74Å; V225-I246 WeakPolarHBondContact O-CA 3.45Å; V225-V247 PolarHBondContact O-N 3.08Å |
| 226 | S | 98.4 | Very high | 97.9 | Very high | 11 Ų | 11 | 35.6 Ų | 35.6 | 8% | 0.077 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 120 | 178.8 | 170.6 | 0 | 0 | 0 | 0 | 109.1 | C206 E207 I208 Q228 V247 | C206-S226 PolarHBondContact O-N 3.33Å; E207-S226 CarbonylContact C-O 3.54Å; E207-S226 WeakPolarHBondContact CA-O 3.48Å; I208-S226 PolarHBondContact N-O 3.29Å; S226-Q228 PolarHBondContact OG-NE2 3.22Å; S226-V247 CarbonylContact C-O 3.54Å; S226-V247 WeakPolarHBondContact CA-O 3.31Å |
| 227 | I | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 115.7 | -179.4 | -47 | 173.1 | 0 | 0 | 0 | 108.2 | I208 V225 T230 C233 I235 I246 V247 A248 S249 S251 M254 L272 | I208-I227 HydrophobicContact CD1-CG1 4.1Å; V225-I227 HydrophobicContact CG1-CG1 4.22Å; I227-T230 HydrophobicContact CG2-CG2 4.28Å; I227-C233 HydrophobicContact CG2-CB 4.36Å; I227-I235 HydrophobicContact CD1-CD1 3.64Å; I227-I235 HydrophobicContact CG1-CD1 4.25Å; I227-I246 HydrophobicContact CD1-CG2 4.27Å; I227-V247 PolarHBondContact N-O 3.34Å; I227-A248 CarbonylContact O-C 3.47Å; I227-A248 WeakPolarHBondContact O-CA 3.24Å; I227-S249 PolarHBondContact O-N 3.41Å; I227-S251 PolarHBondContact O-OG 2.8Å; I227-M254 HydrophobicContact CB-SD 4.15Å; I227-M254 HydrophobicContact CD1-CB 4.47Å; I227-M254 HydrophobicContact CD1-CG 4.22Å; I227-M254 HydrophobicContact CD1-SD 3.92Å; I227-M254 HydrophobicContact CG2-CG 4.35Å; I227-M254 HydrophobicContact CG2-SD 3.91Å; I227-L272 HydrophobicContact CD1-CD1 4.2Å |
| 228 | Q | 98.4 | Very high | 97.7 | Very high | 69 Ų | 69 | 33.5 Ų | 33.5 | 32% | 0.322 | 17% | 0.172 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 130.2 | -175 | -60 | -175 | 39.6 | 0 | 0 | 111.2 | E207 I208 I209 N210 S226 T230 S249 | E207-Q228 PolarHBondContact OE1-NE2 2.92Å; I208-Q228 PolarHBondContact O-N 3.26Å; I209-Q228 CarbonylContact C-O 3.46Å; I209-Q228 VanDerWaalsContact CA-O 3.3Å; I209-Q228 WeakPolarHBondContact CA-O 3.38Å; N210-Q228 PolarHBondContact N-O 2.9Å; S226-Q228 PolarHBondContact OG-NE2 3.22Å; Q228-T230 PolarHBondContact O-N 2.89Å; Q228-T230 VanDerWaalsContact O-N 3.13Å; Q228-T230 PolarHBondContact O-OG1 2.99Å; Q228-S249 WeakPolarHBondContact CA-O 3.33Å; Q228-S249 WeakPolarHBondContact CG-OG 3.4Å |
| 229 | K | 98.2 | Very high | 97.5 | Very high | 125 Ų | 125 | 38.6 Ų | 38.6 | 54% | 0.543 | 19% | 0.191 | S | C | . | . | S | Bend | trans | 50.5 | 40.8 | 174.7 | -159.5 | -163.2 | 173.4 | -157.1 | 0 | 112.6 | N210 S249 K250 S251 | N210-K229 WeakPolarHBondContact CA-O 3.23Å; N210-K229 HydrophobicContact CB-CD 4.32Å; N210-K229 PolarHBondContact N-O 3.27Å; N210-K229 PolarHBondContact OD1-NZ 2.88Å; K229-S249 PolarHBondContact N-O 2.93Å; K229-K250 WeakPolarHBondContact CA-O 3.38Å; K229-K250 PolarHBondContact N-O 3.46Å; K229-S251 PolarHBondContact N-OG 2.88Å; K229-S251 VanDerWaalsContact N-OG 3.08Å |
| 230 | T | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 20% | 0.198 | C | C | . | . | trans | -124.1 | 134.1 | -172.9 | -67.2 | 0 | 0 | 0 | 0 | 110.1 | I208 C211 I227 Q228 C233 S251 S252 | I208-T230 HydrophobicContact CG2-CG2 3.86Å; I208-T230 PolarHBondContact O-OG1 3.13Å; C211-T230 HydrophobicContact CB-CG2 3.88Å; C211-T230 PolarHBondContact N-OG1 2.95Å; C211-T230 VanDerWaalsContact O-CA 3.3Å; C211-T230 WeakPolarHBondContact O-CA 3.43Å; C211-T230 WeakPolarHBondContact O-CG2 3.47Å; I227-T230 HydrophobicContact CG2-CG2 4.28Å; Q228-T230 PolarHBondContact O-N 2.89Å; Q228-T230 VanDerWaalsContact O-N 3.13Å; Q228-T230 PolarHBondContact O-OG1 2.99Å; T230-C233 HydrophobicContact CG2-CB 4.09Å; T230-S251 PolarHBondContact N-OG 3.48Å; T230-S251 VanDerWaalsContact N-OG 3.11Å; T230-S251 CarbonylContact O-C 3.51Å; T230-S251 WeakPolarHBondContact O-CA 3.44Å; T230-S251 WeakPolarHBondContact O-CB 3.47Å; T230-S252 PolarHBondContact O-N 3.37Å | ||
| 231 | D | 98.1 | Very high | 97.4 | Very high | 78 Ų | 78 | 39.4 Ų | 39.4 | 42% | 0.417 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 114.2 | 180 | -58.8 | -45.7 | 0 | 0 | 0 | 109.5 | C211 Q212 S213 S252 | C211-D231 PolarHBondContact O-N 3.39Å; Q212-D231 CarbonylContact C-O 3.59Å; Q212-D231 WeakPolarHBondContact CA-O 3.43Å; Q212-D231 HydrophobicContact CG-CB 4.49Å; Q212-D231 WeakPolarHBondContact CG-O 3.5Å; S213-D231 PolarHBondContact N-O 3.01Å; D231-S252 PolarHBondContact OD1-OG 2.94Å |
| 232 | G | 96.3 | Very high | 97.3 | Very high | 9 Ų | 9 | 37.9 Ų | 37.9 | 9% | 0.093 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 81.1 | 97.9 | -174.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | S213 I214 S252 E253 | S213-G232 CarbonylContact C-O 3.55Å; S213-G232 WeakPolarHBondContact CA-O 3.25Å; S213-G232 PolarHBondContact N-O 3.31Å; I214-G232 PolarHBondContact N-O 3.47Å; G232-S252 PolarHBondContact N-O 3.26Å; G232-E253 CarbonylContact C-O 3.54Å; G232-E253 VanDerWaalsContact CA-O 3.3Å; G232-E253 WeakPolarHBondContact CA-O 3.47Å |
| 233 | C | 97 | Very high | 97.1 | Very high | 3 Ų | 3 | 45.2 Ų | 45.2 | 2% | 0.02 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 119.2 | 175.9 | -172.6 | 0 | 0 | 0 | 0 | 110.7 | I214 I227 T230 E253 M254 N255 | I214-C233 WeakPolarHBondContact O-CA 3.44Å; I227-C233 HydrophobicContact CG2-CB 4.36Å; T230-C233 HydrophobicContact CG2-CB 4.09Å; C233-E253 PolarHBondContact N-O 3.36Å; C233-M254 WeakPolarHBondContact O-CA 3.37Å; C233-N255 PolarHBondContact O-N 3.09Å |
| 234 | H | 98.4 | Very high | 97 | Very high | 31 Ų | 31 | 43.5 Ų | 43.5 | 14% | 0.144 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 120.4 | 176.7 | -163.3 | 169.9 | 0 | 0 | 0 | 109.9 | I214 Q215 I216 Y236 N255 S257 E269 | I214-H234 PolarHBondContact O-N 2.87Å; Q215-H234 CarbonylContact C-O 3.55Å; Q215-H234 VanDerWaalsContact CA-O 3.29Å; Q215-H234 WeakPolarHBondContact CA-O 3.48Å; Q215-H234 HydrophobicContact CG-CB 4.36Å; I216-H234 PolarHBondContact N-O 2.96Å; H234-Y236 HydrophobicContact CB-CE2 4.31Å; H234-Y236 AromaticContact CD2-CE2 3.88Å; H234-Y236 AromaticContact CD2-CZ 3.99Å; H234-Y236 AromaticContact CE1-CZ 3.43Å; H234-Y236 VanDerWaalsContact CE1-CZ 3.43Å; H234-Y236 PolarHBondContact CE1-OH 3.15Å; H234-Y236 AromaticContact CG-CE2 3.7Å; H234-Y236 AromaticContact CG-CZ 3.92Å; H234-Y236 AromaticContact ND1-CE2 3.76Å; H234-Y236 AromaticContact ND1-CZ 3.55Å; H234-Y236 PolarHBondContact ND1-OH 3Å; H234-Y236 AromaticContact NE2-CE1 3.97Å; H234-Y236 AromaticContact NE2-CZ 3.66Å; H234-N255 CarbonylContact C-O 3.6Å; H234-N255 WeakPolarHBondContact CA-O 3.41Å; H234-N255 PolarHBondContact CD2-O 3.42Å; H234-S257 PolarHBondContact NE2-OG 3.47Å; H234-E269 IonicContact CE1-OE2 2.95Å |
| 235 | I | 98.3 | Very high | 97 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 122.9 | -179.3 | -59.8 | 153 | 0 | 0 | 0 | 109.5 | I208 I216 V225 I227 L237 N255 I256 S257 | I208-I235 HydrophobicContact CD1-CD1 4.47Å; I216-I235 HydrophobicContact CB-CB 4.49Å; I216-I235 HydrophobicContact CB-CG1 4.06Å; I216-I235 HydrophobicContact CB-CG2 4.38Å; I216-I235 HydrophobicContact CG1-CG1 4.33Å; I216-I235 HydrophobicContact CG2-CG2 4.47Å; I216-I235 CarbonylContact O-C 3.54Å; I216-I235 WeakPolarHBondContact O-CA 3.23Å; V225-I235 HydrophobicContact CB-CD1 4.49Å; V225-I235 HydrophobicContact CG1-CD1 3.67Å; I227-I235 HydrophobicContact CD1-CD1 3.64Å; I227-I235 HydrophobicContact CG1-CD1 4.25Å; I235-L237 HydrophobicContact CG2-CD2 3.8Å; I235-L237 HydrophobicContact CG2-CG 4.42Å; I235-N255 PolarHBondContact N-O 3.03Å; I235-I256 HydrophobicContact CB-CD1 3.71Å; I235-I256 HydrophobicContact CD1-CD1 3.53Å; I235-I256 HydrophobicContact CG1-CD1 4.16Å; I235-I256 HydrophobicContact CG2-CD1 4.37Å; I235-I256 CarbonylContact O-C 3.56Å; I235-I256 WeakPolarHBondContact O-CA 3.28Å; I235-S257 PolarHBondContact O-N 3.22Å |
| 236 | Y | 98.1 | Very high | 97 | Very high | 59 Ų | 59 | 50.8 Ų | 50.8 | 23% | 0.231 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 113.5 | 173.7 | -61.9 | -96 | 0 | 0 | 0 | 108.7 | I216 Q217 T218 H234 S257 Y267 | I216-Y236 WeakPolarHBondContact O-CD2 3.12Å; I216-Y236 PolarHBondContact O-N 3.13Å; Q217-Y236 WeakPolarHBondContact CA-O 3.42Å; T218-Y236 PolarHBondContact N-O 3.37Å; T218-Y236 VanDerWaalsContact N-O 3.1Å; H234-Y236 HydrophobicContact CB-CE2 4.31Å; H234-Y236 AromaticContact CD2-CE2 3.88Å; H234-Y236 AromaticContact CD2-CZ 3.99Å; H234-Y236 AromaticContact CE1-CZ 3.43Å; H234-Y236 VanDerWaalsContact CE1-CZ 3.43Å; H234-Y236 PolarHBondContact CE1-OH 3.15Å; H234-Y236 AromaticContact CG-CE2 3.7Å; H234-Y236 AromaticContact CG-CZ 3.92Å; H234-Y236 AromaticContact ND1-CE2 3.76Å; H234-Y236 AromaticContact ND1-CZ 3.55Å; H234-Y236 PolarHBondContact ND1-OH 3Å; H234-Y236 AromaticContact NE2-CE1 3.97Å; H234-Y236 AromaticContact NE2-CZ 3.66Å; Y236-S257 WeakPolarHBondContact CA-O 3.47Å; Y236-Y267 HydrophobicContact CD1-CD1 4.26Å; Y236-Y267 HydrophobicContact CD1-CD2 4.38Å; Y236-Y267 HydrophobicContact CD1-CE1 4.21Å; Y236-Y267 HydrophobicContact CD1-CE2 4.32Å; Y236-Y267 HydrophobicContact CD1-CG 4.34Å |
| 237 | L | 97.3 | Very high | 97 | Very high | 9 Ų | 9 | 54.1 Ų | 54.1 | 5% | 0.047 | 27% | 0.271 | C | S | . | . | trans | -87 | 145.2 | 177.4 | -60 | 179.8 | 0 | 0 | 0 | 110.7 | T218 L222 I235 A241 A244 I256 S257 A258 | T218-L237 HydrophobicContact CG2-CD2 4.34Å; L222-L237 HydrophobicContact CD2-CD2 4.12Å; I235-L237 HydrophobicContact CG2-CD2 3.8Å; I235-L237 HydrophobicContact CG2-CG 4.42Å; L237-A241 HydrophobicContact CB-CB 4.28Å; L237-A241 HydrophobicContact CD2-CB 4.19Å; L237-A244 HydrophobicContact CD1-CB 4.41Å; L237-A244 HydrophobicContact CD2-CB 4.29Å; L237-I256 HydrophobicContact CD1-CG2 3.59Å; L237-I256 HydrophobicContact CG-CG2 3.93Å; L237-S257 PolarHBondContact N-O 3.35Å; L237-A258 HydrophobicContact CB-CB 4.22Å | ||
| 238 | S | 95.5 | Very high | 96.9 | Very high | 13 Ų | 13 | 56.4 Ų | 56.4 | 9% | 0.091 | 29% | 0.29 | C | S | . | . | trans | -80 | 168.3 | 164.9 | 68.5 | 0 | 0 | 0 | 0 | 109.8 | T218 G220 D240 A241 | T218-S238 WeakPolarHBondContact O-CB 3.29Å; G220-S238 VanDerWaalsContact C-OG 3.3Å; G220-S238 PolarHBondContact O-OG 3.44Å; S238-D240 PolarHBondContact O-N 2.98Å; S238-D240 PolarHBondContact OG-N 3.48Å; S238-A241 PolarHBondContact O-N 2.84Å; S238-A241 WeakPolarHBondContact OG-CB 3.19Å; S238-A241 PolarHBondContact OG-N 3.22Å | ||
| 239 | R | 93 | Very high | 96.8 | Very high | 110 Ų | 110 | 55.7 Ų | 55.7 | 42% | 0.415 | 29% | 0.293 | S | S | . | . | G | 310 helix | trans | -60.1 | -33 | 171.8 | -64.9 | -167.4 | -179.6 | 110.3 | -0.2 | 112.2 | A241 L242 D264 | R239-A241 PolarHBondContact O-N 3.41Å; R239-L242 WeakPolarHBondContact O-CG 3.48Å; R239-D264 PolarHBondContact NH2-O 3.45Å |
| 240 | D | 95 | Very high | 96.8 | Very high | 115 Ų | 115 | 58.9 Ų | 58.9 | 62% | 0.615 | 31% | 0.307 | S | S | * | . | G | 310 helix | trans | -73.8 | -10.7 | 177.4 | -60.6 | -25 | 0 | 0 | 0 | 113.3 | E221 S238 | E221-D240 HydrophobicContact CG-CB 4.12Å; S238-D240 PolarHBondContact O-N 2.98Å; S238-D240 PolarHBondContact OG-N 3.48Å |
| 241 | A | 96.2 | Very high | 96.8 | Very high | 2 Ų | 2 | 59.6 Ų | 59.6 | 2% | 0.017 | 31% | 0.311 | C | S | . | . | G | 310 helix | trans | -111 | 11 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | T218 L222 L237 S238 R239 N243 A244 | T218-A241 HydrophobicContact CG2-CB 3.73Å; L222-A241 HydrophobicContact CB-CB 3.84Å; L237-A241 HydrophobicContact CB-CB 4.28Å; L237-A241 HydrophobicContact CD2-CB 4.19Å; S238-A241 PolarHBondContact O-N 2.84Å; S238-A241 WeakPolarHBondContact OG-CB 3.19Å; S238-A241 PolarHBondContact OG-N 3.22Å; R239-A241 PolarHBondContact O-N 3.41Å; A241-N243 PolarHBondContact O-N 2.99Å; A241-N243 VanDerWaalsContact O-N 3.13Å; A241-A244 WeakPolarHBondContact O-CB 3.31Å; A241-A244 PolarHBondContact O-N 3.49Å |
| 242 | L | 94.4 | Very high | 96.7 | Very high | 71 Ų | 71 | 57.2 Ų | 57.2 | 37% | 0.372 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -26.8 | -178.4 | -70.5 | 176.1 | 0 | 0 | 0 | 113.9 | R239 A244 A258 L260 | R239-L242 WeakPolarHBondContact O-CG 3.48Å; L242-A244 VanDerWaalsContact C-N 3.3Å; L242-A258 HydrophobicContact CD2-CB 3.7Å; L242-L260 HydrophobicContact CD2-CD2 4.32Å |
| 243 | N | 94.4 | Very high | 96.7 | Very high | 158 Ų | 158 | 63 Ų | 63 | 85% | 0.845 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.3 | 13 | 177.8 | -63.2 | -51.3 | 0 | 0 | 0 | 113.6 | A241 Q245 | A241-N243 PolarHBondContact O-N 2.99Å; A241-N243 VanDerWaalsContact O-N 3.13Å; N243-Q245 PolarHBondContact O-N 2.95Å |
| 244 | A | 97.2 | Very high | 96.7 | Very high | 17 Ų | 17 | 63 Ų | 63 | 14% | 0.14 | 33% | 0.326 | C | S | . | . | trans | -59.6 | 131.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | L222 P223 L237 A241 L242 I246 | L222-A244 WeakPolarHBondContact O-CB 3.34Å; P223-A244 CarbonylContact O-C 3.6Å; P223-A244 WeakPolarHBondContact O-CA 3.49Å; L237-A244 HydrophobicContact CD1-CB 4.41Å; L237-A244 HydrophobicContact CD2-CB 4.29Å; A241-A244 WeakPolarHBondContact O-CB 3.31Å; A241-A244 PolarHBondContact O-N 3.49Å; L242-A244 VanDerWaalsContact C-N 3.3Å; A244-I246 HydrophobicContact CB-CD1 4.29Å | ||
| 245 | Q | 98.1 | Very high | 96.7 | Very high | 135 Ų | 135 | 63.4 Ų | 63.4 | 63% | 0.631 | 33% | 0.328 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 124.6 | 172.2 | -68.2 | 176.4 | 51.1 | 0 | 0 | 109.7 | P223 T224 V225 N243 | P223-Q245 PolarHBondContact O-N 2.89Å; T224-Q245 CarbonylContact C-O 3.6Å; T224-Q245 WeakPolarHBondContact CA-O 3.22Å; V225-Q245 PolarHBondContact N-O 3.02Å; N243-Q245 PolarHBondContact O-N 2.95Å |
| 246 | I | 97.5 | Very high | 96.7 | Very high | 52 Ų | 52 | 63.8 Ų | 63.8 | 27% | 0.267 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 122.4 | 178.7 | -46.4 | -61.2 | 0 | 0 | 0 | 109.6 | V225 I227 A244 I256 L272 | V225-I246 HydrophobicContact CB-CD1 3.67Å; V225-I246 HydrophobicContact CG2-CD1 3.74Å; V225-I246 WeakPolarHBondContact O-CA 3.45Å; I227-I246 HydrophobicContact CD1-CG2 4.27Å; A244-I246 HydrophobicContact CB-CD1 4.29Å; I246-I256 HydrophobicContact CD1-CD1 4.18Å; I246-I256 HydrophobicContact CG1-CD1 4.27Å; I246-I256 HydrophobicContact CG1-CG1 4.48Å; I246-I256 HydrophobicContact CG2-CD1 4.42Å; I246-L272 HydrophobicContact CG2-CD1 3.6Å |
| 247 | V | 97.9 | Very high | 96.6 | Very high | 81 Ų | 81 | 61.1 Ų | 61.1 | 49% | 0.491 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 121.8 | 177.6 | -176.8 | 0 | 0 | 0 | 0 | 108.2 | V225 S226 I227 | V225-V247 PolarHBondContact O-N 3.08Å; S226-V247 CarbonylContact C-O 3.54Å; S226-V247 WeakPolarHBondContact CA-O 3.31Å; I227-V247 PolarHBondContact N-O 3.34Å |
| 248 | A | 97.6 | Very high | 96.5 | Very high | 47 Ų | 47 | 60.8 Ų | 60.8 | 39% | 0.388 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 142 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | I227 M254 | I227-A248 CarbonylContact O-C 3.47Å; I227-A248 WeakPolarHBondContact O-CA 3.24Å; A248-M254 HydrophobicContact CB-CE 3.8Å; A248-M254 HydrophobicContact CB-SD 3.62Å |
| 249 | S | 96.9 | Very high | 96.3 | Very high | 55 Ų | 55 | 61.7 Ų | 61.7 | 39% | 0.385 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 136.9 | 169.8 | 71.7 | 0 | 0 | 0 | 0 | 112 | I227 Q228 K229 S251 | I227-S249 PolarHBondContact O-N 3.41Å; Q228-S249 WeakPolarHBondContact CA-O 3.33Å; Q228-S249 WeakPolarHBondContact CG-OG 3.4Å; K229-S249 PolarHBondContact N-O 2.93Å; S249-S251 PolarHBondContact O-N 3.39Å; S249-S251 VanDerWaalsContact O-N 3.07Å; S249-S251 PolarHBondContact O-OG 3.45Å |
| 250 | K | 96.8 | Very high | 96 | Very high | 192 Ų | 192 | 60.8 Ų | 60.8 | 84% | 0.835 | 33% | 0.325 | S | S | * | . | S | Bend | trans | 47.9 | 38.6 | 178.5 | -60.5 | -179.2 | 176.4 | 176.3 | 0 | 113.2 | K229 | K229-K250 WeakPolarHBondContact CA-O 3.38Å; K229-K250 PolarHBondContact N-O 3.46Å |
| 251 | S | 97.9 | Very high | 95.5 | Very high | 14 Ų | 14 | 62 Ų | 62 | 10% | 0.098 | 33% | 0.327 | C | S | . | . | trans | -127.9 | 152.9 | -174 | -60.6 | 0 | 0 | 0 | 0 | 109 | I227 K229 T230 S249 M254 | I227-S251 PolarHBondContact O-OG 2.8Å; K229-S251 PolarHBondContact N-OG 2.88Å; K229-S251 VanDerWaalsContact N-OG 3.08Å; T230-S251 PolarHBondContact N-OG 3.48Å; T230-S251 VanDerWaalsContact N-OG 3.11Å; T230-S251 CarbonylContact O-C 3.51Å; T230-S251 WeakPolarHBondContact O-CA 3.44Å; T230-S251 WeakPolarHBondContact O-CB 3.47Å; S249-S251 PolarHBondContact O-N 3.39Å; S249-S251 VanDerWaalsContact O-N 3.07Å; S249-S251 PolarHBondContact O-OG 3.45Å; S251-M254 WeakPolarHBondContact CB-SD 3.31Å | ||
| 252 | S | 97.3 | Very high | 94.5 | Very high | 28 Ų | 28 | 69.7 Ų | 69.7 | 20% | 0.196 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 161.8 | -177.1 | 65.4 | 0 | 0 | 0 | 0 | 111.8 | T230 D231 G232 M254 E274 | T230-S252 PolarHBondContact O-N 3.37Å; D231-S252 PolarHBondContact OD1-OG 2.94Å; G232-S252 PolarHBondContact N-O 3.26Å; S252-M254 PolarHBondContact O-N 3.03Å; S252-E274 WeakPolarHBondContact CA-OE2 3.4Å |
| 253 | E | 96.3 | Very high | 93.6 | Very high | 131 Ų | 131 | 69.4 Ų | 69.4 | 61% | 0.612 | 38% | 0.383 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 55.4 | 51.8 | 177.8 | -59.3 | 174.3 | -162.2 | 0 | 0 | 112 | G232 C233 E274 | G232-E253 CarbonylContact C-O 3.54Å; G232-E253 VanDerWaalsContact CA-O 3.3Å; G232-E253 WeakPolarHBondContact CA-O 3.47Å; C233-E253 PolarHBondContact N-O 3.36Å; E253-E274 PolarHBondContact N-OE2 3.2Å |
| 254 | M | 97.6 | Very high | 92.9 | Very high | 4 Ų | 4 | 64.5 Ų | 64.5 | 2% | 0.02 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 124.2 | -176.9 | -60.6 | 173.2 | -68.8 | 0 | 0 | 111.2 | I227 C233 A248 S251 S252 L272 E274 | I227-M254 HydrophobicContact CB-SD 4.15Å; I227-M254 HydrophobicContact CD1-CB 4.47Å; I227-M254 HydrophobicContact CD1-CG 4.22Å; I227-M254 HydrophobicContact CD1-SD 3.92Å; I227-M254 HydrophobicContact CG2-CG 4.35Å; I227-M254 HydrophobicContact CG2-SD 3.91Å; C233-M254 WeakPolarHBondContact O-CA 3.37Å; A248-M254 HydrophobicContact CB-CE 3.8Å; A248-M254 HydrophobicContact CB-SD 3.62Å; S251-M254 WeakPolarHBondContact CB-SD 3.31Å; S252-M254 PolarHBondContact O-N 3.03Å; M254-L272 HydrophobicContact CB-CB 4.03Å; M254-L272 HydrophobicContact CB-CD1 3.85Å; M254-L272 HydrophobicContact CB-CG 4.19Å; M254-L272 HydrophobicContact CE-CB 4.23Å; M254-L272 PolarHBondContact O-N 2.89Å; M254-L272 HydrophobicContact SD-CD1 4.31Å; M254-E274 HydrophobicContact CE-CB 4.29Å |
| 255 | N | 97.6 | Very high | 92.1 | Very high | 38 Ų | 38 | 70.3 Ų | 70.3 | 20% | 0.203 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 136.8 | -177.1 | -62.9 | 72.8 | 0 | 0 | 0 | 110.1 | C233 H234 I235 E269 | C233-N255 PolarHBondContact O-N 3.09Å; H234-N255 CarbonylContact C-O 3.6Å; H234-N255 WeakPolarHBondContact CA-O 3.41Å; H234-N255 PolarHBondContact CD2-O 3.42Å; I235-N255 PolarHBondContact N-O 3.03Å; N255-E269 HydrophobicContact CB-CG 4.18Å; N255-E269 PolarHBondContact ND2-OE1 3.33Å |
| 256 | I | 97.3 | Very high | 91.7 | Very high | 8 Ų | 8 | 70.7 Ų | 70.7 | 4% | 0.041 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 129.4 | 172.9 | -53.1 | -59.5 | 0 | 0 | 0 | 108.1 | I235 L237 I246 M270 L272 | I235-I256 HydrophobicContact CB-CD1 3.71Å; I235-I256 HydrophobicContact CD1-CD1 3.53Å; I235-I256 HydrophobicContact CG1-CD1 4.16Å; I235-I256 HydrophobicContact CG2-CD1 4.37Å; I235-I256 CarbonylContact O-C 3.56Å; I235-I256 WeakPolarHBondContact O-CA 3.28Å; L237-I256 HydrophobicContact CD1-CG2 3.59Å; L237-I256 HydrophobicContact CG-CG2 3.93Å; I246-I256 HydrophobicContact CD1-CD1 4.18Å; I246-I256 HydrophobicContact CG1-CD1 4.27Å; I246-I256 HydrophobicContact CG1-CG1 4.48Å; I246-I256 HydrophobicContact CG2-CD1 4.42Å; I256-M270 HydrophobicContact CG2-CE 4.49Å; I256-M270 PolarHBondContact N-O 3.31Å; I256-M270 PolarHBondContact O-N 3.39Å; I256-L272 HydrophobicContact CD1-CD1 4.3Å; I256-L272 HydrophobicContact CG1-CD1 4.24Å; I256-L272 HydrophobicContact CG1-CD2 3.91Å; I256-L272 HydrophobicContact CG1-CG 4.08Å |
| 257 | S | 96.8 | Very high | 91.5 | Very high | 3 Ų | 3 | 71.8 Ų | 71.8 | 2% | 0.021 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 129.3 | 173.9 | -74.7 | 0 | 0 | 0 | 0 | 110.4 | H234 I235 Y236 L237 T268 | H234-S257 PolarHBondContact NE2-OG 3.47Å; I235-S257 PolarHBondContact O-N 3.22Å; Y236-S257 WeakPolarHBondContact CA-O 3.47Å; L237-S257 PolarHBondContact N-O 3.35Å; S257-T268 VanDerWaalsContact CA-O 3.3Å; S257-T268 WeakPolarHBondContact CA-O 3.3Å |
| 258 | A | 94.8 | Very high | 91.3 | Very high | 2 Ų | 2 | 70.8 Ų | 70.8 | 2% | 0.017 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 150.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | L237 L242 L260 T268 | L237-A258 HydrophobicContact CB-CB 4.22Å; L242-A258 HydrophobicContact CD2-CB 3.7Å; A258-L260 HydrophobicContact CB-CD2 4.01Å; A258-T268 PolarHBondContact N-O 3.07Å; A258-T268 VanDerWaalsContact N-O 3.1Å; A258-T268 PolarHBondContact O-N 2.86Å |
| 259 | M | 91.3 | Very high | 91.2 | Very high | 33 Ų | 33 | 74 Ų | 74 | 16% | 0.163 | 39% | 0.389 | C | S | . | . | trans | -86.1 | 106.9 | 166.9 | -64.9 | 168.3 | 179.5 | 0 | 0 | 107.3 | D265 Y267 | M259-D265 WeakPolarHBondContact CE-O 3.49Å; M259-Y267 HydrophobicContact CE-CD2 4.01Å; M259-Y267 HydrophobicContact CE-CE1 4.43Å; M259-Y267 HydrophobicContact CE-CE2 3.61Å; M259-Y267 HydrophobicContact CG-CD1 4.26Å; M259-Y267 HydrophobicContact CG-CE1 4.27Å | ||
| 260 | L | 87.4 | Confident | 91.1 | Very high | 91 Ų | 91 | 75.3 Ų | 75.3 | 48% | 0.476 | 39% | 0.39 | S | S | . | . | trans | -86.3 | -23.5 | -168.6 | -62 | 177.6 | 0 | 0 | 0 | 113.4 | L242 A258 T268 M270 | L242-L260 HydrophobicContact CD2-CD2 4.32Å; A258-L260 HydrophobicContact CB-CD2 4.01Å; L260-T268 HydrophobicContact CD1-CG2 4.04Å; L260-M270 HydrophobicContact CD2-CE 4.46Å | ||
| 261 | E | 84.1 | Confident | 91.1 | Very high | 139 Ų | 139 | 68.9 Ų | 68.9 | 65% | 0.65 | 37% | 0.373 | S | S | * | . | S | Bend | trans | -114.2 | 148 | -176.4 | -61.8 | -172.4 | -178.6 | 0 | 0 | 111.9 | G263 D264 | E261-G263 PolarHBondContact O-N 2.91Å; E261-D264 HydrophobicContact CB-CB 4.14Å; E261-D264 PolarHBondContact O-N 3.1Å |
| 262 | D | 75.5 | Confident | 91 | Very high | 164 Ų | 164 | 69.9 Ų | 69.9 | 88% | 0.877 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | 120.2 | 177.2 | -74 | -35.7 | 0 | 0 | 0 | 110.3 | ||
| 263 | G | 76.1 | Confident | 90.8 | Very high | 66 Ų | 66 | 71 Ų | 71 | 68% | 0.68 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.7 | 0.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | E261 | E261-G263 PolarHBondContact O-N 2.91Š|
| 264 | D | 78.3 | Confident | 90.7 | Very high | 54 Ų | 54 | 69.2 Ų | 69.2 | 29% | 0.289 | 38% | 0.375 | S | S | . | . | trans | -79.8 | 130.8 | 169.1 | -164 | 3.5 | 0 | 0 | 0 | 110.3 | R239 E261 E266 | R239-D264 PolarHBondContact NH2-O 3.45Å; E261-D264 HydrophobicContact CB-CB 4.14Å; E261-D264 PolarHBondContact O-N 3.1Å; D264-E266 PolarHBondContact OD1-N 3.32Å | ||
| 265 | D | 80.9 | Confident | 90.5 | Very high | 139 Ų | 139 | 75.3 Ų | 75.3 | 74% | 0.743 | 40% | 0.404 | S | S | * | . | trans | -103.1 | 1 | 177.9 | -68.7 | -37.1 | 0 | 0 | 0 | 111.7 | M259 | M259-D265 WeakPolarHBondContact CE-O 3.49Š| ||
| 266 | E | 89.6 | Confident | 90.3 | Very high | 144 Ų | 144 | 79.5 Ų | 79.5 | 67% | 0.673 | 42% | 0.42 | S | S | * | . | S | Bend | trans | -97.2 | 138.2 | 178 | -166.6 | 164.4 | -174.9 | 0 | 0 | 112 | D264 | D264-E266 PolarHBondContact OD1-N 3.32Š|
| 267 | Y | 92.7 | Very high | 90.2 | Very high | 75 Ų | 75 | 83.1 Ų | 83.1 | 29% | 0.294 | 44% | 0.438 | S | S | . | . | P | Polyproline II helix | trans | -84.1 | 122.1 | 174.8 | -84.4 | -75.3 | 0 | 0 | 0 | 110 | Y236 M259 | Y236-Y267 HydrophobicContact CD1-CD1 4.26Å; Y236-Y267 HydrophobicContact CD1-CD2 4.38Å; Y236-Y267 HydrophobicContact CD1-CE1 4.21Å; Y236-Y267 HydrophobicContact CD1-CE2 4.32Å; Y236-Y267 HydrophobicContact CD1-CG 4.34Å; M259-Y267 HydrophobicContact CE-CD2 4.01Å; M259-Y267 HydrophobicContact CE-CE1 4.43Å; M259-Y267 HydrophobicContact CE-CE2 3.61Å; M259-Y267 HydrophobicContact CG-CD1 4.26Å; M259-Y267 HydrophobicContact CG-CE1 4.27Å |
| 268 | T | 94.6 | Very high | 90.2 | Very high | 60 Ų | 60 | 86.3 Ų | 86.3 | 37% | 0.368 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 122.7 | 166.6 | -62.5 | 0 | 0 | 0 | 0 | 109.3 | S257 A258 L260 M270 | S257-T268 VanDerWaalsContact CA-O 3.3Å; S257-T268 WeakPolarHBondContact CA-O 3.3Å; A258-T268 PolarHBondContact N-O 3.07Å; A258-T268 VanDerWaalsContact N-O 3.1Å; A258-T268 PolarHBondContact O-N 2.86Å; L260-T268 HydrophobicContact CD1-CG2 4.04Å; T268-M270 HydrophobicContact CG2-CG 4.45Å |
| 269 | E | 95.7 | Very high | 90.3 | Very high | 114 Ų | 114 | 92.3 Ų | 92.3 | 53% | 0.533 | 48% | 0.483 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 132.7 | 177.9 | -169.9 | -179.7 | 150.1 | 0 | 0 | 111.9 | H234 N255 | H234-E269 IonicContact CE1-OE2 2.95Å; N255-E269 HydrophobicContact CB-CG 4.18Å; N255-E269 PolarHBondContact ND2-OE1 3.33Å |
| 270 | M | 94.9 | Very high | 90.6 | Very high | 82 Ų | 82 | 97 Ų | 97 | 40% | 0.404 | 51% | 0.508 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 120.8 | -179.2 | -60.9 | 176.2 | -71.5 | 0 | 0 | 109.8 | I256 L260 T268 | I256-M270 HydrophobicContact CG2-CE 4.49Å; I256-M270 PolarHBondContact N-O 3.31Å; I256-M270 PolarHBondContact O-N 3.39Å; L260-M270 HydrophobicContact CD2-CE 4.46Å; T268-M270 HydrophobicContact CG2-CG 4.45Å |
| 271 | A | 95.9 | Very high | 91 | Very high | 57 Ų | 57 | 97.1 Ų | 97.1 | 47% | 0.471 | 51% | 0.512 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 137.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111 | I292 | A271-I292 HydrophobicContact CB-CD1 4.03Å |
| 272 | L | 95.3 | Very high | 91.5 | Very high | 36 Ų | 36 | 93.8 Ų | 93.8 | 19% | 0.188 | 52% | 0.515 | C | S | . | . | P | Polyproline II helix | trans | -81.9 | 141 | 172.4 | -61.8 | -180 | 0 | 0 | 0 | 110.7 | I227 I246 M254 I256 E274 | I227-L272 HydrophobicContact CD1-CD1 4.2Å; I246-L272 HydrophobicContact CG2-CD1 3.6Å; M254-L272 HydrophobicContact CB-CB 4.03Å; M254-L272 HydrophobicContact CB-CD1 3.85Å; M254-L272 HydrophobicContact CB-CG 4.19Å; M254-L272 HydrophobicContact CE-CB 4.23Å; M254-L272 PolarHBondContact O-N 2.89Å; M254-L272 HydrophobicContact SD-CD1 4.31Å; I256-L272 HydrophobicContact CD1-CD1 4.3Å; I256-L272 HydrophobicContact CG1-CD1 4.24Å; I256-L272 HydrophobicContact CG1-CD2 3.91Å; I256-L272 HydrophobicContact CG1-CG 4.08Å; L272-E274 PolarHBondContact O-N 2.94Å |
| 273 | P | 94.6 | Very high | 92.5 | Very high | 52 Ų | 52 | 96.3 Ų | 96.3 | 34% | 0.338 | 52% | 0.518 | S | S | . | . | P | Polyproline II helix | trans | -67.6 | 131.7 | 173.1 | 28.3 | -33.6 | 0 | 0 | 0 | 110.7 | A289 | P273-A289 HydrophobicContact CB-CB 3.74Å; P273-A289 HydrophobicContact CG-CB 3.94Å |
| 274 | E | 93.3 | Very high | 93.5 | Very high | 92 Ų | 92 | 101 Ų | 101 | 43% | 0.43 | 52% | 0.52 | S | S | . | . | trans | -115.2 | -11.2 | 177.9 | 55.8 | 178.3 | -132.1 | 0 | 0 | 113.1 | S252 E253 M254 L272 | S252-E274 WeakPolarHBondContact CA-OE2 3.4Å; E253-E274 PolarHBondContact N-OE2 3.2Å; M254-E274 HydrophobicContact CE-CB 4.29Å; L272-E274 PolarHBondContact O-N 2.94Å | ||
| 275 | Q | 92.8 | Very high | 94.4 | Very high | 133 Ų | 133 | 104.3 Ų | 104.3 | 62% | 0.621 | 54% | 0.537 | S | S | * | . | trans | -111.6 | 135.9 | 175.6 | -63.4 | -172.1 | 11.9 | 0 | 0 | 111.2 | S290 | Q275-S290 WeakPolarHBondContact O-CB 3.35Å; Q275-S290 PolarHBondContact O-N 3Å | ||
| 276 | F | 95.2 | Very high | 95.2 | Very high | 125 Ų | 125 | 101.1 Ų | 101.1 | 55% | 0.548 | 52% | 0.523 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 132 | -177.5 | -60.2 | -88.3 | 0 | 0 | 0 | 110.6 | T287 V288 A289 | F276-T287 HydrophobicContact CB-CG2 3.81Å; F276-T287 HydrophobicContact CD1-CG2 4.35Å; F276-T287 HydrophobicContact CG-CG2 4.42Å; F276-V288 WeakPolarHBondContact CA-O 3.3Å; F276-A289 HydrophobicContact CD1-CB 4.31Å; F276-A289 HydrophobicContact CE1-CB 4.2Å |
| 277 | M | 94.5 | Very high | 95.5 | Very high | 84 Ų | 84 | 98 Ų | 98 | 41% | 0.414 | 51% | 0.513 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 127.4 | 174 | 176.9 | 175.6 | 42.2 | 0 | 0 | 109.2 | K279 T287 V288 | M277-K279 HydrophobicContact CG-CG 4.48Å; M277-K279 WeakPolarHBondContact SD-CE 3.33Å; M277-T287 WeakPolarHBondContact O-CA 3.43Å; M277-V288 HydrophobicContact CB-CG2 4.34Å; M277-V288 HydrophobicContact CE-CG2 3.93Å; M277-V288 PolarHBondContact N-O 3.21Å; M277-V288 PolarHBondContact O-N 3.4Å |
| 278 | T | 96.8 | Very high | 95.6 | Very high | 71 Ų | 71 | 98 Ų | 98 | 44% | 0.436 | 52% | 0.521 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 130 | 176.5 | -59.6 | 0 | 0 | 0 | 0 | 110.2 | L285 V286 T287 | T278-L285 HydrophobicContact CG2-CB 4.03Å; T278-L285 HydrophobicContact CG2-CD2 3.95Å; T278-L285 HydrophobicContact CG2-CG 4.42Å; T278-V286 WeakPolarHBondContact CA-O 3.32Å; T278-T287 WeakPolarHBondContact OG1-CG2 3.42Å; T278-T287 PolarHBondContact OG1-OG1 3.14Å |
| 279 | K | 96.6 | Very high | 95.5 | Very high | 127 Ų | 127 | 97.5 Ų | 97.5 | 55% | 0.552 | 52% | 0.523 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 148.9 | 174.8 | -68.3 | 179.1 | 179 | 169.3 | 0 | 110.6 | M277 V286 | M277-K279 HydrophobicContact CG-CG 4.48Å; M277-K279 WeakPolarHBondContact SD-CE 3.33Å; K279-V286 PolarHBondContact N-O 2.86Å; K279-V286 PolarHBondContact O-N 3.36Å |
| 280 | I | 97.6 | Very high | 95.2 | Very high | 133 Ų | 133 | 94.3 Ų | 94.3 | 68% | 0.682 | 51% | 0.513 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84 | 117.5 | 168.7 | -61.2 | 168.4 | 0 | 0 | 0 | 107.6 | L285 | I280-L285 HydrophobicContact CG1-CD2 3.63Å |
| 281 | V | 96.1 | Very high | 94.4 | Very high | 92 Ų | 92 | 98.9 Ų | 98.9 | 56% | 0.558 | 53% | 0.534 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 109.6 | 174.4 | -177.3 | 0 | 0 | 0 | 0 | 108 | K283 K284 V286 | V281-K283 PolarHBondContact O-N 2.86Å; V281-K284 PolarHBondContact N-O 2.91Å; V281-K284 PolarHBondContact O-N 3.35Å; V281-V286 HydrophobicContact CB-CG2 4.02Å; V281-V286 HydrophobicContact CG2-CB 4.33Å; V281-V286 HydrophobicContact CG2-CG2 4.04Å |
| 282 | G | 94.9 | Very high | 92.7 | Very high | 70 Ų | 70 | 101.6 Ų | 101.6 | 72% | 0.722 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62 | -115.3 | -169.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||
| 283 | K | 95.6 | Very high | 90.2 | Very high | 216 Ų | 216 | 109.6 Ų | 109.6 | 94% | 0.939 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109 | 15.6 | 179.4 | -63.3 | -175.3 | 179.5 | 179.8 | 0 | 113.6 | V281 | V281-K283 PolarHBondContact O-N 2.86Š|
| 284 | K | 97 | Very high | 90 | Very high | 164 Ų | 164 | 112.5 Ų | 112.5 | 71% | 0.713 | 60% | 0.601 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -127.1 | 151.9 | -177 | -64.7 | -176.3 | 179.6 | -178.3 | 0 | 110.9 | V281 | V281-K284 PolarHBondContact N-O 2.91Å; V281-K284 PolarHBondContact O-N 3.35Å |
| 285 | L | 97.4 | Very high | 89.8 | Confident | 125 Ų | 125 | 113.5 Ų | 113.5 | 65% | 0.654 | 61% | 0.61 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -84.4 | 133.2 | 166 | -64.1 | 173.6 | 0 | 0 | 0 | 108.7 | T278 I280 | T278-L285 HydrophobicContact CG2-CB 4.03Å; T278-L285 HydrophobicContact CG2-CD2 3.95Å; T278-L285 HydrophobicContact CG2-CG 4.42Å; I280-L285 HydrophobicContact CG1-CD2 3.63Å |
| 286 | V | 97.2 | Very high | 89.6 | Confident | 72 Ų | 72 | 112.4 Ų | 112.4 | 44% | 0.436 | 61% | 0.61 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -120.4 | 122.9 | 172.8 | -179.2 | 0 | 0 | 0 | 0 | 107.3 | T278 K279 V281 | T278-V286 WeakPolarHBondContact CA-O 3.32Å; K279-V286 PolarHBondContact N-O 2.86Å; K279-V286 PolarHBondContact O-N 3.36Å; V281-V286 HydrophobicContact CB-CG2 4.02Å; V281-V286 HydrophobicContact CG2-CB 4.33Å; V281-V286 HydrophobicContact CG2-CG2 4.04Å |
| 287 | T | 96.4 | Very high | 89.3 | Confident | 78 Ų | 78 | 111.7 Ų | 111.7 | 48% | 0.479 | 61% | 0.613 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -115.7 | 133.3 | -177.4 | -55.6 | 0 | 0 | 0 | 0 | 108.8 | F276 M277 T278 | F276-T287 HydrophobicContact CB-CG2 3.81Å; F276-T287 HydrophobicContact CD1-CG2 4.35Å; F276-T287 HydrophobicContact CG-CG2 4.42Å; M277-T287 WeakPolarHBondContact O-CA 3.43Å; T278-T287 WeakPolarHBondContact OG1-CG2 3.42Å; T278-T287 PolarHBondContact OG1-OG1 3.14Å |
| 288 | V | 95.1 | Very high | 89 | Confident | 74 Ų | 74 | 113.4 Ų | 113.4 | 45% | 0.448 | 63% | 0.626 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -128.3 | 149.9 | 172.6 | -63.6 | 0 | 0 | 0 | 0 | 109.4 | F276 M277 S290 | F276-V288 WeakPolarHBondContact CA-O 3.3Å; M277-V288 HydrophobicContact CB-CG2 4.34Å; M277-V288 HydrophobicContact CE-CG2 3.93Å; M277-V288 PolarHBondContact N-O 3.21Å; M277-V288 PolarHBondContact O-N 3.4Å; V288-S290 PolarHBondContact O-N 3.44Å |
| 289 | A | 93.5 | Very high | 88.4 | Confident | 50 Ų | 50 | 116.3 Ų | 116.3 | 41% | 0.413 | 64% | 0.639 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -60.1 | 134.9 | 166.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | P273 F276 | P273-A289 HydrophobicContact CB-CB 3.74Å; P273-A289 HydrophobicContact CG-CB 3.94Å; F276-A289 HydrophobicContact CD1-CB 4.31Å; F276-A289 HydrophobicContact CE1-CB 4.2Å |
| 290 | S | 88.3 | Confident | 87.8 | Confident | 48 Ų | 48 | 115.5 Ų | 115.5 | 34% | 0.336 | 65% | 0.645 | S | S | . | * | P | Polyproline II helix | trans | -72.7 | 135.3 | 168.5 | -169 | 0 | 0 | 0 | 0 | 107.9 | Q275 V288 I292 | Q275-S290 WeakPolarHBondContact O-CB 3.35Å; Q275-S290 PolarHBondContact O-N 3Å; V288-S290 PolarHBondContact O-N 3.44Å; S290-I292 PolarHBondContact O-N 3.26Å |
| 291 | E | 78.4 | Confident | 87.1 | Confident | 178 Ų | 178 | 114.2 Ų | 114.2 | 83% | 0.832 | 64% | 0.642 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 133.5 | 170.2 | -67.1 | -174.1 | 175.9 | 0 | 0 | 108.8 | V293 | E291-V293 PolarHBondContact O-N 3.46Š|
| 292 | I | 59.2 | Low | 86.3 | Confident | 114 Ų | 114 | 116 Ų | 116 | 59% | 0.585 | 65% | 0.649 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 117.9 | 171.1 | -64.7 | 166.5 | 0 | 0 | 0 | 105.7 | A271 S290 | A271-I292 HydrophobicContact CB-CD1 4.03Å; S290-I292 PolarHBondContact O-N 3.26Å |
| 293 | V | 43.1 | Very low | 85.6 | Confident | 203 Ų | 203 | 120.2 Ų | 120.2 | 100% | 1.23 | 64% | 0.642 | S | S | * | * | trans | -87.4 | 0 | 169.3 | -176 | 0 | 0 | 0 | 0 | 109 | E291 | E291-V293 PolarHBondContact O-N 3.46Š|
Retrieved 293 of 293 residues in 141 ms
(Link to these results)