| 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 | 55.5 | Low | 64.9 | Low | 243 Ų | 243 | 137.1 Ų | 137.1 | 100% | 1.197 | 68% | 0.68 | S | S | * | * | 0 | 129 | 0 | -75.5 | -159.3 | 134.5 | 0 | 0 | 108.8 | |||||
| 2 | R | 54.9 | Low | 66.2 | Low | 226 Ų | 226 | 135.3 Ų | 135.3 | 85% | 0.853 | 67% | 0.674 | S | S | * | * | trans | -88.7 | 116.5 | -177.1 | -153.6 | 175.9 | -179 | -142 | 1.3 | 108 | Q4 | R2-Q4 PolarHBondContact O-N 3.17Š| ||
| 3 | P | 60.8 | Low | 67.5 | Low | 113 Ų | 113 | 132.8 Ų | 132.8 | 73% | 0.734 | 66% | 0.664 | S | S | * | * | trans | -65.6 | 118 | 176.9 | 24.4 | -30.2 | 0 | 0 | 0 | 109.1 | I5 | P3-I5 PolarHBondContact O-N 3.27Š| ||
| 4 | Q | 59.8 | Low | 69.1 | Low | 171 Ų | 171 | 129.6 Ų | 129.6 | 80% | 0.799 | 65% | 0.649 | S | S | * | * | trans | -74.7 | 105.3 | 171.2 | -68.2 | -72.5 | -6.3 | 0 | 0 | 107.3 | R2 N6 | R2-Q4 PolarHBondContact O-N 3.17Å; Q4-N6 PolarHBondContact O-N 3.22Å | ||
| 5 | I | 63.8 | Low | 70.5 | Confident | 126 Ų | 126 | 128.7 Ų | 128.7 | 65% | 0.646 | 64% | 0.639 | S | S | * | * | trans | -65.5 | 117.9 | 174 | -64.3 | 166.7 | 0 | 0 | 0 | 107.1 | P3 H7 | P3-I5 PolarHBondContact O-N 3.27Å; I5-H7 VanDerWaalsContact C-N 3.26Å; I5-H7 PolarHBondContact O-CD2 2.86Å; I5-H7 VanDerWaalsContact O-CD2 3.27Å; I5-H7 PolarHBondContact O-N 3.27Å | ||
| 6 | N | 62.5 | Low | 71.8 | Confident | 103 Ų | 103 | 123.8 Ų | 123.8 | 55% | 0.551 | 62% | 0.621 | S | S | * | * | trans | -77.1 | 73 | -174.4 | -169.4 | -0 | 0 | 0 | 0 | 111.1 | Q4 K8 S9 N10 | Q4-N6 PolarHBondContact O-N 3.22Å; N6-K8 PolarHBondContact O-N 2.7Å; N6-K8 VanDerWaalsContact O-N 3.1Å; N6-S9 WeakPolarHBondContact CB-OG 3.45Å; N6-S9 PolarHBondContact ND2-OG 3.07Å; N6-S9 PolarHBondContact O-N 3.06Å; N6-S9 PolarHBondContact O-OG 3.1Å; N6-S9 PolarHBondContact OD1-N 3.3Å; N6-N10 PolarHBondContact O-N 3.47Å | ||
| 7 | H | 63.6 | Low | 72.9 | Confident | 133 Ų | 133 | 123.2 Ų | 123.2 | 62% | 0.616 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -54.2 | -29.7 | 179.1 | -61.5 | -63.6 | 0 | 0 | 0 | 113.1 | I5 V11 | I5-H7 VanDerWaalsContact C-N 3.26Å; I5-H7 PolarHBondContact O-CD2 2.86Å; I5-H7 VanDerWaalsContact O-CD2 3.27Å; I5-H7 PolarHBondContact O-N 3.27Å; H7-V11 VanDerWaalsContact O-CG2 3.27Å; H7-V11 WeakPolarHBondContact O-CG2 3.27Å; H7-V11 PolarHBondContact O-N 3.5Å |
| 8 | K | 65.5 | Low | 74 | Confident | 168 Ų | 168 | 122.5 Ų | 122.5 | 73% | 0.73 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -67 | -41.2 | 178.1 | -65.9 | -176.6 | 179.4 | -179.9 | 0 | 112 | N6 V11 L12 | N6-K8 PolarHBondContact O-N 2.7Å; N6-K8 VanDerWaalsContact O-N 3.1Å; K8-V11 PolarHBondContact O-N 3Å; K8-L12 VanDerWaalsContact O-CG 3.32Å; K8-L12 WeakPolarHBondContact O-CG 3.47Å; K8-L12 PolarHBondContact O-N 2.98Å |
| 9 | S | 70.7 | Confident | 75.1 | Confident | 60 Ų | 60 | 123.6 Ų | 123.6 | 42% | 0.42 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -63.6 | -42 | 177.3 | 62.1 | 0 | 0 | 0 | 0 | 112.3 | N6 L12 D13 | N6-S9 WeakPolarHBondContact CB-OG 3.45Å; N6-S9 PolarHBondContact ND2-OG 3.07Å; N6-S9 PolarHBondContact O-N 3.06Å; N6-S9 PolarHBondContact O-OG 3.1Å; N6-S9 PolarHBondContact OD1-N 3.3Å; S9-L12 PolarHBondContact O-N 3.48Å; S9-D13 WeakPolarHBondContact O-CB 3.19Å; S9-D13 PolarHBondContact O-N 3.41Å |
| 10 | N | 77.9 | Confident | 76 | Confident | 95 Ų | 95 | 122.4 Ų | 122.4 | 51% | 0.508 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -64.7 | -40.9 | 176.6 | -177.5 | -90.6 | 0 | 0 | 0 | 112.1 | N6 L12 D13 I14 | N6-N10 PolarHBondContact O-N 3.47Å; N10-L12 PolarHBondContact O-N 3.39Å; N10-D13 PolarHBondContact O-N 2.96Å; N10-I14 VanDerWaalsContact O-CG1 3.24Å; N10-I14 WeakPolarHBondContact O-CG1 3.49Å; N10-I14 PolarHBondContact O-N 3.34Å; N10-I14 WeakPolarHBondContact OD1-CD1 3.32Å |
| 11 | V | 78.8 | Confident | 76.9 | Confident | 70 Ų | 70 | 121 Ų | 121 | 42% | 0.424 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -66.6 | -36.7 | 175.9 | 172 | 0 | 0 | 0 | 0 | 112.2 | H7 K8 K15 | H7-V11 VanDerWaalsContact O-CG2 3.27Å; H7-V11 WeakPolarHBondContact O-CG2 3.27Å; H7-V11 PolarHBondContact O-N 3.5Å; K8-V11 PolarHBondContact O-N 3Å; V11-K15 HydrophobicContact CG1-CD 4.41Å; V11-K15 WeakPolarHBondContact O-CG 3.24Å; V11-K15 PolarHBondContact O-N 3.21Å |
| 12 | L | 80.4 | Confident | 78.8 | Confident | 116 Ų | 116 | 114 Ų | 114 | 61% | 0.607 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -66.1 | -42.2 | 175 | -70.8 | 174.1 | 0 | 0 | 0 | 111.2 | K8 S9 N10 K15 S16 | K8-L12 VanDerWaalsContact O-CG 3.32Å; K8-L12 WeakPolarHBondContact O-CG 3.47Å; K8-L12 PolarHBondContact O-N 2.98Å; S9-L12 PolarHBondContact O-N 3.48Å; N10-L12 PolarHBondContact O-N 3.39Å; L12-K15 WeakPolarHBondContact O-CB 3.32Å; L12-K15 PolarHBondContact O-N 2.86Å; L12-S16 PolarHBondContact O-N 2.92Å; L12-S16 PolarHBondContact O-OG 3.36Å; L12-S16 VanDerWaalsContact O-OG 3.1Å |
| 13 | D | 83.7 | Confident | 80.7 | Confident | 103 Ų | 103 | 112.5 Ų | 112.5 | 55% | 0.551 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -62 | -45.9 | 177.4 | -162.6 | 21 | 0 | 0 | 0 | 111.9 | S9 N10 K15 S16 E17 | S9-D13 WeakPolarHBondContact O-CB 3.19Å; S9-D13 PolarHBondContact O-N 3.41Å; N10-D13 PolarHBondContact O-N 2.96Å; D13-K15 VanDerWaalsContact C-N 3.29Å; D13-K15 PolarHBondContact O-N 2.93Å; D13-S16 VanDerWaalsContact CA-OG 3.29Å; D13-S16 WeakPolarHBondContact CA-OG 3.29Å; D13-S16 PolarHBondContact O-N 3.34Å; D13-S16 PolarHBondContact O-OG 2.86Å; D13-E17 WeakPolarHBondContact O-CB 3.31Å; D13-E17 PolarHBondContact O-N 3.19Å |
| 14 | I | 89.6 | Confident | 82.4 | Confident | 88 Ų | 88 | 112.6 Ų | 112.6 | 45% | 0.451 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -60 | -39.1 | 173.9 | -68.4 | 165.1 | 0 | 0 | 0 | 111.4 | N10 L18 | N10-I14 VanDerWaalsContact O-CG1 3.24Å; N10-I14 WeakPolarHBondContact O-CG1 3.49Å; N10-I14 PolarHBondContact O-N 3.34Å; N10-I14 WeakPolarHBondContact OD1-CD1 3.32Å; I14-L18 VanDerWaalsContact O-CB 3.31Å; I14-L18 WeakPolarHBondContact O-CB 3.44Å; I14-L18 PolarHBondContact O-N 3.07Å |
| 15 | K | 90.6 | Very high | 84.1 | Confident | 115 Ų | 115 | 111 Ų | 111 | 50% | 0.5 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -67.6 | -43.6 | 177.1 | -77.3 | 177.5 | 179.4 | -178.8 | 0 | 111.4 | V11 L12 D13 L18 F19 | V11-K15 HydrophobicContact CG1-CD 4.41Å; V11-K15 WeakPolarHBondContact O-CG 3.24Å; V11-K15 PolarHBondContact O-N 3.21Å; L12-K15 WeakPolarHBondContact O-CB 3.32Å; L12-K15 PolarHBondContact O-N 2.86Å; D13-K15 VanDerWaalsContact C-N 3.29Å; D13-K15 PolarHBondContact O-N 2.93Å; K15-L18 PolarHBondContact O-N 3.1Å; K15-F19 WeakPolarHBondContact O-CD2 3.29Å; K15-F19 PolarHBondContact O-N 2.76Å |
| 16 | S | 90.7 | Very high | 85.6 | Confident | 51 Ų | 51 | 112.4 Ų | 112.4 | 36% | 0.357 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -61.4 | -46.1 | 174.8 | 36.5 | 0 | 0 | 0 | 0 | 111.6 | L12 D13 L18 F19 D20 | L12-S16 PolarHBondContact O-N 2.92Å; L12-S16 PolarHBondContact O-OG 3.36Å; L12-S16 VanDerWaalsContact O-OG 3.1Å; D13-S16 VanDerWaalsContact CA-OG 3.29Å; D13-S16 WeakPolarHBondContact CA-OG 3.29Å; D13-S16 PolarHBondContact O-N 3.34Å; D13-S16 PolarHBondContact O-OG 2.86Å; S16-L18 VanDerWaalsContact C-N 3.3Å; S16-L18 PolarHBondContact O-N 2.98Å; S16-F19 PolarHBondContact O-N 3.1Å; S16-F19 VanDerWaalsContact O-N 3.1Å; S16-D20 PolarHBondContact O-N 3.37Å |
| 17 | E | 90.7 | Very high | 87.1 | Confident | 113 Ų | 113 | 110.5 Ų | 110.5 | 53% | 0.528 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -58.1 | -43.9 | 176.2 | -174.6 | -178.7 | -177.5 | 0 | 0 | 111.2 | D13 F19 D20 L21 | D13-E17 WeakPolarHBondContact O-CB 3.31Å; D13-E17 PolarHBondContact O-N 3.19Å; E17-F19 PolarHBondContact O-N 3.29Å; E17-D20 PolarHBondContact O-N 3.45Å; E17-L21 HydrophobicContact CG-CD1 4.2Å; E17-L21 WeakPolarHBondContact O-CB 3.34Å; E17-L21 VanDerWaalsContact O-CG 3.29Å; E17-L21 WeakPolarHBondContact O-CG 3.39Å; E17-L21 PolarHBondContact O-N 2.91Å |
| 18 | L | 92.8 | Very high | 88.7 | Confident | 111 Ų | 111 | 109.2 Ų | 109.2 | 58% | 0.581 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -60.7 | -43.2 | 175.3 | 178.7 | 63.6 | 0 | 0 | 0 | 112.4 | I14 K15 S16 L21 L22 | I14-L18 VanDerWaalsContact O-CB 3.31Å; I14-L18 WeakPolarHBondContact O-CB 3.44Å; I14-L18 PolarHBondContact O-N 3.07Å; K15-L18 PolarHBondContact O-N 3.1Å; S16-L18 VanDerWaalsContact C-N 3.3Å; S16-L18 PolarHBondContact O-N 2.98Å; L18-L21 PolarHBondContact O-N 3.25Å; L18-L22 WeakPolarHBondContact O-CB 3.42Å; L18-L22 PolarHBondContact O-N 2.91Å |
| 19 | F | 94 | Very high | 90.1 | Very high | 144 Ų | 144 | 105.3 Ų | 105.3 | 63% | 0.632 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -64.3 | -40.8 | 177.2 | -80.8 | -64.3 | 0 | 0 | 0 | 111.8 | K15 S16 E17 L22 R23 | K15-F19 WeakPolarHBondContact O-CD2 3.29Å; K15-F19 PolarHBondContact O-N 2.76Å; S16-F19 PolarHBondContact O-N 3.1Å; S16-F19 VanDerWaalsContact O-N 3.1Å; E17-F19 PolarHBondContact O-N 3.29Å; F19-L22 PolarHBondContact O-N 3.43Å; F19-R23 WeakPolarHBondContact O-CB 3.5Å; F19-R23 PolarHBondContact O-N 3.46Å |
| 20 | D | 93.2 | Very high | 91.2 | Very high | 99 Ų | 99 | 109 Ų | 109 | 53% | 0.529 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -65.7 | -43.9 | 176.6 | -73.5 | -26.3 | 0 | 0 | 0 | 111.5 | S16 E17 L22 R23 Q24 | S16-D20 PolarHBondContact O-N 3.37Å; E17-D20 PolarHBondContact O-N 3.45Å; D20-L22 VanDerWaalsContact C-N 3.33Å; D20-L22 PolarHBondContact O-N 2.77Å; D20-R23 WeakPolarHBondContact O-CB 3.03Å; D20-R23 PolarHBondContact O-N 3.13Å; D20-Q24 WeakPolarHBondContact O-CB 3.32Å; D20-Q24 PolarHBondContact O-N 3.47Å |
| 21 | L | 95.3 | Very high | 92 | Very high | 92 Ų | 92 | 108 Ų | 108 | 48% | 0.482 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -61 | -41.1 | 173.9 | -73.4 | 173.6 | 0 | 0 | 0 | 111.9 | E17 L18 Q24 R25 | E17-L21 HydrophobicContact CG-CD1 4.2Å; E17-L21 WeakPolarHBondContact O-CB 3.34Å; E17-L21 VanDerWaalsContact O-CG 3.29Å; E17-L21 WeakPolarHBondContact O-CG 3.39Å; E17-L21 PolarHBondContact O-N 2.91Å; L18-L21 PolarHBondContact O-N 3.25Å; L21-Q24 PolarHBondContact O-N 2.84Å; L21-R25 VanDerWaalsContact O-CB 3.32Å; L21-R25 WeakPolarHBondContact O-CB 3.35Å; L21-R25 PolarHBondContact O-N 3.37Å |
| 22 | L | 95.4 | Very high | 92.8 | Very high | 97 Ų | 97 | 108.6 Ų | 108.6 | 51% | 0.508 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -66.5 | -40.4 | 177.5 | -173.2 | 63.5 | 0 | 0 | 0 | 111.5 | L18 F19 D20 R25 K26 | L18-L22 WeakPolarHBondContact O-CB 3.42Å; L18-L22 PolarHBondContact O-N 2.91Å; F19-L22 PolarHBondContact O-N 3.43Å; D20-L22 VanDerWaalsContact C-N 3.33Å; D20-L22 PolarHBondContact O-N 2.77Å; L22-R25 PolarHBondContact O-N 3.03Å; L22-K26 PolarHBondContact O-N 2.83Å |
| 23 | R | 94.6 | Very high | 93.5 | Very high | 195 Ų | 195 | 103.4 Ų | 103.4 | 74% | 0.736 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -63.4 | -45.1 | 174.4 | -177.1 | -179.5 | 179.8 | -173.4 | 0.2 | 111.3 | F19 D20 K26 S27 | F19-R23 WeakPolarHBondContact O-CB 3.5Å; F19-R23 PolarHBondContact O-N 3.46Å; D20-R23 WeakPolarHBondContact O-CB 3.03Å; D20-R23 PolarHBondContact O-N 3.13Å; R23-K26 PolarHBondContact O-N 2.93Å; R23-S27 PolarHBondContact O-N 3.24Å |
| 24 | Q | 96.3 | Very high | 94 | Very high | 115 Ų | 115 | 100.5 Ų | 100.5 | 54% | 0.537 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.7 | -45.2 | 176.8 | -173 | 179.7 | -2.4 | 0 | 0 | 111.2 | D20 L21 K26 S27 L28 | D20-Q24 WeakPolarHBondContact O-CB 3.32Å; D20-Q24 PolarHBondContact O-N 3.47Å; L21-Q24 PolarHBondContact O-N 2.84Å; Q24-K26 VanDerWaalsContact C-N 3.3Å; Q24-K26 PolarHBondContact O-N 2.98Å; Q24-S27 PolarHBondContact O-N 2.91Å; Q24-L28 HydrophobicContact CG-CD1 4.21Å; Q24-L28 WeakPolarHBondContact O-CG 3.49Å; Q24-L28 PolarHBondContact O-N 3.35Å |
| 25 | R | 96.2 | Very high | 94.4 | Very high | 137 Ų | 137 | 100.5 Ų | 100.5 | 52% | 0.517 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -56.6 | -44 | 174.5 | -179.1 | -174.3 | 172.6 | -156.5 | -3.1 | 111.6 | L21 L22 L28 T29 | L21-R25 VanDerWaalsContact O-CB 3.32Å; L21-R25 WeakPolarHBondContact O-CB 3.35Å; L21-R25 PolarHBondContact O-N 3.37Å; L22-R25 PolarHBondContact O-N 3.03Å; R25-L28 PolarHBondContact O-N 3.37Å; R25-T29 PolarHBondContact O-N 2.85Å; R25-T29 PolarHBondContact O-OG1 3.1Å |
| 26 | K | 95.1 | Very high | 94.7 | Very high | 156 Ų | 156 | 95.4 Ų | 95.4 | 68% | 0.678 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -61.6 | -48.7 | 177.7 | -176.8 | 177 | 177.5 | 178.3 | 0 | 111.2 | L22 R23 Q24 L28 T29 E30 | L22-K26 PolarHBondContact O-N 2.83Å; R23-K26 PolarHBondContact O-N 2.93Å; Q24-K26 VanDerWaalsContact C-N 3.3Å; Q24-K26 PolarHBondContact O-N 2.98Å; K26-L28 PolarHBondContact O-N 3.41Å; K26-T29 PolarHBondContact O-N 3.04Å; K26-E30 PolarHBondContact O-N 2.91Å; K26-E30 VanDerWaalsContact O-N 3.08Å |
| 27 | S | 94.8 | Very high | 94.9 | Very high | 63 Ų | 63 | 95.7 Ų | 95.7 | 44% | 0.441 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -59.3 | -45.2 | 177.7 | 174.5 | 0 | 0 | 0 | 0 | 112.2 | R23 Q24 T29 E30 T31 | R23-S27 PolarHBondContact O-N 3.24Å; Q24-S27 PolarHBondContact O-N 2.91Å; S27-T29 VanDerWaalsContact C-N 3.33Å; S27-T29 PolarHBondContact O-N 3.43Å; S27-E30 PolarHBondContact O-N 3.26Å; S27-T31 PolarHBondContact O-N 3.46Å; S27-T31 PolarHBondContact O-OG1 3.08Å; S27-T31 VanDerWaalsContact O-OG1 3.09Å |
| 28 | L | 96.4 | Very high | 95.2 | Very high | 105 Ų | 105 | 94.6 Ų | 94.6 | 55% | 0.55 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -62.5 | -39.7 | 177.7 | -72.2 | 173.2 | 0 | 0 | 0 | 112.4 | Q24 R25 K26 E30 T31 L32 | Q24-L28 HydrophobicContact CG-CD1 4.21Å; Q24-L28 WeakPolarHBondContact O-CG 3.49Å; Q24-L28 PolarHBondContact O-N 3.35Å; R25-L28 PolarHBondContact O-N 3.37Å; K26-L28 PolarHBondContact O-N 3.41Å; L28-E30 VanDerWaalsContact C-N 3.33Å; L28-E30 PolarHBondContact O-N 3.02Å; L28-T31 PolarHBondContact O-N 3Å; L28-L32 VanDerWaalsContact O-CB 3.32Å; L28-L32 WeakPolarHBondContact O-CB 3.37Å; L28-L32 PolarHBondContact O-N 3.28Å |
| 29 | T | 94.6 | Very high | 95.4 | Very high | 87 Ų | 87 | 92.6 Ų | 92.6 | 53% | 0.534 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -64.3 | -40.4 | 177.9 | -53.5 | 0 | 0 | 0 | 0 | 111.2 | R25 K26 S27 G33 | R25-T29 PolarHBondContact O-N 2.85Å; R25-T29 PolarHBondContact O-OG1 3.1Å; K26-T29 PolarHBondContact O-N 3.04Å; S27-T29 VanDerWaalsContact C-N 3.33Å; S27-T29 PolarHBondContact O-N 3.43Å; T29-G33 PolarHBondContact O-N 3.14Å |
| 30 | E | 93.6 | Very high | 95.5 | Very high | 138 Ų | 138 | 89 Ų | 89 | 65% | 0.645 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -66.4 | -45.7 | 176.2 | -176.5 | 176.2 | -176.5 | 0 | 0 | 112.1 | K26 S27 L28 L32 G33 A34 | K26-E30 PolarHBondContact O-N 2.91Å; K26-E30 VanDerWaalsContact O-N 3.08Å; S27-E30 PolarHBondContact O-N 3.26Å; L28-E30 VanDerWaalsContact C-N 3.33Å; L28-E30 PolarHBondContact O-N 3.02Å; E30-L32 PolarHBondContact O-N 2.78Å; E30-G33 PolarHBondContact O-N 3.46Å; E30-A34 PolarHBondContact O-N 2.86Å |
| 31 | T | 95.8 | Very high | 95.6 | Very high | 74 Ų | 74 | 90.1 Ų | 90.1 | 45% | 0.454 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -61 | -43.4 | 175.3 | -56.5 | 0 | 0 | 0 | 0 | 111.5 | S27 L28 A34 L35 | S27-T31 PolarHBondContact O-N 3.46Å; S27-T31 PolarHBondContact O-OG1 3.08Å; S27-T31 VanDerWaalsContact O-OG1 3.09Å; L28-T31 PolarHBondContact O-N 3Å; T31-A34 PolarHBondContact O-N 3.09Å; T31-L35 HydrophobicContact CG2-CD1 4.26Å; T31-L35 WeakPolarHBondContact O-CG 3.32Å; T31-L35 PolarHBondContact O-N 3.16Å |
| 32 | L | 95.6 | Very high | 95.7 | Very high | 82 Ų | 82 | 92 Ų | 92 | 43% | 0.429 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -58.9 | -50.4 | 176.3 | 178.1 | 63.7 | 0 | 0 | 0 | 111.2 | L28 E30 A34 L35 E36 | L28-L32 VanDerWaalsContact O-CB 3.32Å; L28-L32 WeakPolarHBondContact O-CB 3.37Å; L28-L32 PolarHBondContact O-N 3.28Å; E30-L32 PolarHBondContact O-N 2.78Å; L32-A34 VanDerWaalsContact C-N 3.25Å; L32-A34 PolarHBondContact O-N 2.82Å; L32-L35 PolarHBondContact O-N 2.84Å; L32-L35 VanDerWaalsContact O-N 3.16Å; L32-E36 HydrophobicContact CD1-CG 4.18Å; L32-E36 HydrophobicContact CG-CG 4.44Å; L32-E36 WeakPolarHBondContact O-CG 3.4Å; L32-E36 PolarHBondContact O-N 2.89Å |
| 33 | G | 94.7 | Very high | 95.8 | Very high | 6 Ų | 6 | 87.8 Ų | 87.8 | 6% | 0.062 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -60 | -36.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | T29 E30 R37 | T29-G33 PolarHBondContact O-N 3.14Å; E30-G33 PolarHBondContact O-N 3.46Å; G33-R37 WeakPolarHBondContact O-CG 3.21Å; G33-R37 VanDerWaalsContact O-CZ 3.24Å; G33-R37 PolarHBondContact O-N 3.5Å; G33-R37 PolarHBondContact O-NH1 3.27Å |
| 34 | A | 94.9 | Very high | 95.8 | Very high | 43 Ų | 43 | 79 Ų | 79 | 36% | 0.355 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -65.5 | -45.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | E30 T31 L32 R37 Q38 | E30-A34 PolarHBondContact O-N 2.86Å; T31-A34 PolarHBondContact O-N 3.09Å; L32-A34 VanDerWaalsContact C-N 3.25Å; L32-A34 PolarHBondContact O-N 2.82Å; A34-R37 PolarHBondContact O-N 2.61Å; A34-Q38 WeakPolarHBondContact O-CB 3.21Å; A34-Q38 PolarHBondContact O-N 2.93Å |
| 35 | L | 97.1 | Very high | 95.8 | Very high | 87 Ų | 87 | 76.5 Ų | 76.5 | 46% | 0.455 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -63.1 | -43.6 | 178 | -71.5 | 173.7 | 0 | 0 | 0 | 112 | T31 L32 R37 Q38 I39 | T31-L35 HydrophobicContact CG2-CD1 4.26Å; T31-L35 WeakPolarHBondContact O-CG 3.32Å; T31-L35 PolarHBondContact O-N 3.16Å; L32-L35 PolarHBondContact O-N 2.84Å; L32-L35 VanDerWaalsContact O-N 3.16Å; L35-R37 VanDerWaalsContact C-N 3.33Å; L35-R37 PolarHBondContact O-N 3.29Å; L35-Q38 WeakPolarHBondContact O-CB 3.36Å; L35-Q38 PolarHBondContact O-N 2.86Å; L35-I39 WeakPolarHBondContact O-CG1 3.07Å; L35-I39 PolarHBondContact O-N 3.49Å |
| 36 | E | 96 | Very high | 95.8 | Very high | 9 Ų | 9 | 73.9 Ų | 73.9 | 4% | 0.042 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -61.5 | -42.3 | 178.8 | -72 | 179.1 | 142.2 | 0 | 0 | 112 | L32 I39 Y40 S103 T105 S106 S109 | L32-E36 HydrophobicContact CD1-CG 4.18Å; L32-E36 HydrophobicContact CG-CG 4.44Å; L32-E36 WeakPolarHBondContact O-CG 3.4Å; L32-E36 PolarHBondContact O-N 2.89Å; E36-I39 PolarHBondContact O-N 3.27Å; E36-Y40 WeakPolarHBondContact O-CB 3.37Å; E36-Y40 PolarHBondContact O-N 3.42Å; E36-S103 WeakPolarHBondContact OE1-CB 3.26Å; E36-S103 PolarHBondContact OE1-OG 3.26Å; E36-T105 WeakPolarHBondContact OE1-CB 3.48Å; E36-T105 PolarHBondContact OE1-OG1 3.24Å; E36-S106 PolarHBondContact OE1-N 2.95Å; E36-S109 WeakPolarHBondContact OE2-CB 3.34Å; E36-S109 PolarHBondContact OE2-OG 2.91Å |
| 37 | R | 95.2 | Very high | 95.9 | Very high | 56 Ų | 56 | 67 Ų | 67 | 21% | 0.211 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -62.6 | -43.6 | 173.5 | -72.8 | -173.4 | -61.6 | -90.4 | 2.3 | 111.8 | G33 A34 L35 Y40 L41 S109 Q113 | G33-R37 WeakPolarHBondContact O-CG 3.21Å; G33-R37 VanDerWaalsContact O-CZ 3.24Å; G33-R37 PolarHBondContact O-N 3.5Å; G33-R37 PolarHBondContact O-NH1 3.27Å; A34-R37 PolarHBondContact O-N 2.61Å; L35-R37 VanDerWaalsContact C-N 3.33Å; L35-R37 PolarHBondContact O-N 3.29Å; R37-Y40 WeakPolarHBondContact O-CB 3.33Å; R37-Y40 PolarHBondContact O-N 3.27Å; R37-L41 WeakPolarHBondContact O-CG 3.43Å; R37-L41 PolarHBondContact O-N 2.53Å; R37-S109 PolarHBondContact NH1-O 3.27Å; R37-Q113 VanDerWaalsContact CD-CD 3.47Å |
| 38 | Q | 97.1 | Very high | 95.8 | Very high | 91 Ų | 91 | 68.4 Ų | 68.4 | 43% | 0.425 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -62 | -44.5 | 178.9 | -176.9 | 177.5 | 5.2 | 0 | 0 | 111.7 | A34 L35 Y40 L41 F42 | A34-Q38 WeakPolarHBondContact O-CB 3.21Å; A34-Q38 PolarHBondContact O-N 2.93Å; L35-Q38 WeakPolarHBondContact O-CB 3.36Å; L35-Q38 PolarHBondContact O-N 2.86Å; Q38-Y40 VanDerWaalsContact C-N 3.34Å; Q38-Y40 PolarHBondContact O-N 3.23Å; Q38-L41 PolarHBondContact O-N 3.08Å; Q38-F42 HydrophobicContact CG-CD2 3.73Å; Q38-F42 HydrophobicContact CG-CE2 3.44Å; Q38-F42 VanDerWaalsContact CG-CE2 3.44Å; Q38-F42 HydrophobicContact CG-CZ 4.08Å; Q38-F42 WeakPolarHBondContact O-CB 3.49Å; Q38-F42 WeakPolarHBondContact O-CD2 3.4Å; Q38-F42 WeakPolarHBondContact O-CG 3.46Å; Q38-F42 PolarHBondContact O-N 3.13Å |
| 39 | I | 97.2 | Very high | 95.7 | Very high | 69 Ų | 69 | 68.4 Ų | 68.4 | 35% | 0.354 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -58.4 | -48.2 | 174.4 | -70 | 167.4 | 0 | 0 | 0 | 109.9 | L35 E36 L41 F42 E43 F99 | L35-I39 WeakPolarHBondContact O-CG1 3.07Å; L35-I39 PolarHBondContact O-N 3.49Å; E36-I39 PolarHBondContact O-N 3.27Å; I39-L41 VanDerWaalsContact C-N 3.31Å; I39-L41 PolarHBondContact O-N 3.01Å; I39-F42 PolarHBondContact O-N 3.47Å; I39-E43 HydrophobicContact CG2-CG 4.21Å; I39-E43 WeakPolarHBondContact O-CB 3.48Å; I39-E43 VanDerWaalsContact O-CG 3.31Å; I39-E43 WeakPolarHBondContact O-CG 3.49Å; I39-E43 PolarHBondContact O-N 2.57Å; I39-F99 HydrophobicContact CG2-CB 3.7Å |
| 40 | Y | 96.8 | Very high | 95.7 | Very high | 67 Ų | 67 | 65.4 Ų | 65.4 | 26% | 0.263 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -58.3 | -41.3 | 179.4 | -176.5 | -91.5 | 0 | 0 | 0 | 113 | E36 R37 Q38 G44 R97 S100 L110 | E36-Y40 WeakPolarHBondContact O-CB 3.37Å; E36-Y40 PolarHBondContact O-N 3.42Å; R37-Y40 WeakPolarHBondContact O-CB 3.33Å; R37-Y40 PolarHBondContact O-N 3.27Å; Q38-Y40 VanDerWaalsContact C-N 3.34Å; Q38-Y40 PolarHBondContact O-N 3.23Å; Y40-G44 PolarHBondContact O-N 3.05Å; Y40-R97 PolarHBondContact O-NH1 3.12Å; Y40-S100 WeakPolarHBondContact CA-OG 3.19Å; Y40-L110 HydrophobicContact CD1-CD1 4.48Å; Y40-L110 HydrophobicContact CD1-CD2 4.24Å; Y40-L110 HydrophobicContact CE1-CD2 3.81Å; Y40-L110 HydrophobicContact CE2-CD2 4.24Å |
| 41 | L | 95.9 | Very high | 95.6 | Very high | 123 Ų | 123 | 61 Ų | 61 | 64% | 0.644 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -67.3 | -48.3 | 176.6 | -67.6 | 172.9 | 0 | 0 | 0 | 111.7 | R37 Q38 I39 E43 G44 S45 | R37-L41 WeakPolarHBondContact O-CG 3.43Å; R37-L41 PolarHBondContact O-N 2.53Å; Q38-L41 PolarHBondContact O-N 3.08Å; I39-L41 VanDerWaalsContact C-N 3.31Å; I39-L41 PolarHBondContact O-N 3.01Å; L41-E43 VanDerWaalsContact C-N 3.34Å; L41-E43 PolarHBondContact O-N 3.29Å; L41-G44 PolarHBondContact O-N 3.03Å; L41-G44 VanDerWaalsContact O-N 3.14Å; L41-S45 PolarHBondContact O-N 3.37Å |
| 42 | F | 97.2 | Very high | 95.2 | Very high | 131 Ų | 131 | 60.5 Ų | 60.5 | 58% | 0.575 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -63.8 | -38.4 | 179.5 | -75.9 | -32.5 | 0 | 0 | 0 | 113.1 | Q38 I39 G44 S45 Y46 | Q38-F42 HydrophobicContact CG-CD2 3.73Å; Q38-F42 HydrophobicContact CG-CE2 3.44Å; Q38-F42 VanDerWaalsContact CG-CE2 3.44Å; Q38-F42 HydrophobicContact CG-CZ 4.08Å; Q38-F42 WeakPolarHBondContact O-CB 3.49Å; Q38-F42 WeakPolarHBondContact O-CD2 3.4Å; Q38-F42 WeakPolarHBondContact O-CG 3.46Å; Q38-F42 PolarHBondContact O-N 3.13Å; I39-F42 PolarHBondContact O-N 3.47Å; F42-G44 VanDerWaalsContact C-N 3.26Å; F42-G44 PolarHBondContact O-N 2.54Å; F42-S45 PolarHBondContact O-N 3.23Å; F42-Y46 VanDerWaalsContact O-CB 3.29Å; F42-Y46 WeakPolarHBondContact O-CB 3.27Å; F42-Y46 PolarHBondContact O-N 3.13Å |
| 43 | E | 96.4 | Very high | 95 | Very high | 10 Ų | 10 | 63.5 Ų | 63.5 | 5% | 0.047 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -59 | -40.2 | 173.7 | -80.7 | -171.7 | 152.2 | 0 | 0 | 112.2 | I39 L41 Y46 L47 R97 L98 F99 S100 | I39-E43 HydrophobicContact CG2-CG 4.21Å; I39-E43 WeakPolarHBondContact O-CB 3.48Å; I39-E43 VanDerWaalsContact O-CG 3.31Å; I39-E43 WeakPolarHBondContact O-CG 3.49Å; I39-E43 PolarHBondContact O-N 2.57Å; L41-E43 VanDerWaalsContact C-N 3.34Å; L41-E43 PolarHBondContact O-N 3.29Å; E43-Y46 PolarHBondContact O-N 3.28Å; E43-L47 WeakPolarHBondContact O-CB 3.45Å; E43-L47 VanDerWaalsContact O-CG 3.23Å; E43-L47 WeakPolarHBondContact O-CG 3.36Å; E43-L47 PolarHBondContact O-N 3.43Å; E43-R97 VanDerWaalsContact OE1-C 3.31Å; E43-R97 WeakPolarHBondContact OE2-CB 3.11Å; E43-R97 WeakPolarHBondContact OE2-CG 3.17Å; E43-R97 IonicContact OE2-NH1 3.61Å; E43-L98 PolarHBondContact OE1-N 3.39Å; E43-F99 HydrophobicContact CG-CB 4.42Å; E43-F99 HydrophobicContact CG-CD2 4.08Å; E43-F99 WeakPolarHBondContact OE1-CA 3.24Å; E43-F99 WeakPolarHBondContact OE1-CB 3.35Å; E43-F99 WeakPolarHBondContact OE1-CD2 3.31Å; E43-F99 PolarHBondContact OE1-N 2.95Å; E43-S100 VanDerWaalsContact CD-OG 3.31Å; E43-S100 PolarHBondContact OE1-N 3.06Å; E43-S100 VanDerWaalsContact OE2-CB 3.24Å; E43-S100 WeakPolarHBondContact OE2-CB 3.37Å; E43-S100 PolarHBondContact OE2-OG 3.01Å |
| 44 | G | 95.2 | Very high | 94.9 | Very high | 9 Ų | 9 | 63.5 Ų | 63.5 | 9% | 0.093 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -58.9 | -53.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y40 L41 F42 Y46 L47 D48 | Y40-G44 PolarHBondContact O-N 3.05Å; L41-G44 PolarHBondContact O-N 3.03Å; L41-G44 VanDerWaalsContact O-N 3.14Å; F42-G44 VanDerWaalsContact C-N 3.26Å; F42-G44 PolarHBondContact O-N 2.54Å; G44-Y46 PolarHBondContact O-N 2.72Å; G44-L47 PolarHBondContact O-N 2.86Å; G44-D48 PolarHBondContact O-N 2.97Å; G44-D48 VanDerWaalsContact O-N 3.09Å |
| 45 | S | 95.3 | Very high | 94.8 | Very high | 63 Ų | 63 | 61.5 Ų | 61.5 | 44% | 0.441 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -57.8 | -49.7 | 176.3 | -165.4 | 0 | 0 | 0 | 0 | 111.3 | L41 F42 L47 D48 D49 | L41-S45 PolarHBondContact O-N 3.37Å; F42-S45 PolarHBondContact O-N 3.23Å; S45-L47 PolarHBondContact O-N 2.97Å; S45-D48 PolarHBondContact O-N 3.41Å; S45-D49 VanDerWaalsContact O-CB 3.26Å; S45-D49 WeakPolarHBondContact O-CB 3.48Å; S45-D49 PolarHBondContact O-N 3.25Å; S45-D49 PolarHBondContact OG-OD2 3Å |
| 46 | Y | 98 | Very high | 94.8 | Very high | 82 Ų | 82 | 62.1 Ų | 62.1 | 32% | 0.322 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -58.6 | -45.5 | -178.4 | 177.8 | -100 | 0 | 0 | 0 | 112.1 | F42 E43 G44 T50 N55 I56 | F42-Y46 VanDerWaalsContact O-CB 3.29Å; F42-Y46 WeakPolarHBondContact O-CB 3.27Å; F42-Y46 PolarHBondContact O-N 3.13Å; E43-Y46 PolarHBondContact O-N 3.28Å; G44-Y46 PolarHBondContact O-N 2.72Å; Y46-T50 HydrophobicContact CD2-CG2 3.8Å; Y46-T50 HydrophobicContact CE2-CG2 3.61Å; Y46-T50 HydrophobicContact CG-CG2 4.39Å; Y46-T50 VanDerWaalsContact O-CB 3.28Å; Y46-T50 WeakPolarHBondContact O-CB 3.23Å; Y46-T50 VanDerWaalsContact O-CG2 3.29Å; Y46-T50 WeakPolarHBondContact O-CG2 3.41Å; Y46-T50 PolarHBondContact O-N 3.17Å; Y46-T50 PolarHBondContact O-OG1 3Å; Y46-N55 HydrophobicContact CE1-CB 3.95Å; Y46-I56 HydrophobicContact CE1-CG2 4.11Å |
| 47 | L | 95.4 | Very high | 94.6 | Very high | 13 Ų | 13 | 64.4 Ų | 64.4 | 7% | 0.068 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -67.8 | -38.1 | -178.9 | -70.3 | 176.4 | 0 | 0 | 0 | 112.4 | E43 G44 S45 A51 I57 F92 D96 R97 | E43-L47 WeakPolarHBondContact O-CB 3.45Å; E43-L47 VanDerWaalsContact O-CG 3.23Å; E43-L47 WeakPolarHBondContact O-CG 3.36Å; E43-L47 PolarHBondContact O-N 3.43Å; G44-L47 PolarHBondContact O-N 2.86Å; S45-L47 PolarHBondContact O-N 2.97Å; L47-A51 WeakPolarHBondContact O-CB 3.24Å; L47-A51 PolarHBondContact O-N 3.01Å; L47-I57 HydrophobicContact CD2-CG1 3.85Å; L47-F92 HydrophobicContact CB-CB 3.93Å; L47-F92 HydrophobicContact CB-CD1 3.85Å; L47-F92 HydrophobicContact CB-CG 3.85Å; L47-F92 HydrophobicContact CD1-CB 3.99Å; L47-F92 HydrophobicContact CD1-CD2 3.81Å; L47-F92 HydrophobicContact CD1-CG 3.85Å; L47-D96 HydrophobicContact CD1-CB 4.1Å; L47-R97 HydrophobicContact CD1-CG 4.27Å |
| 48 | D | 93.9 | Very high | 94.4 | Very high | 92 Ų | 92 | 68 Ų | 68 | 49% | 0.492 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -68.5 | -49.4 | 175.4 | -79.2 | -29 | 0 | 0 | 0 | 111.3 | G44 S45 T50 F92 | G44-D48 PolarHBondContact O-N 2.97Å; G44-D48 VanDerWaalsContact O-N 3.09Å; S45-D48 PolarHBondContact O-N 3.41Å; D48-T50 VanDerWaalsContact C-N 3.35Å; D48-T50 PolarHBondContact O-N 3.36Å; D48-F92 VanDerWaalsContact OD1-CD1 3.24Å; D48-F92 WeakPolarHBondContact OD1-CD1 3.25Å; D48-F92 WeakPolarHBondContact OD2-CE1 3.29Å |
| 49 | D | 94.9 | Very high | 94.2 | Very high | 104 Ų | 104 | 64.9 Ų | 64.9 | 56% | 0.556 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -67.3 | -33.7 | -174.9 | -65.6 | -31.3 | 0 | 0 | 0 | 112.7 | S45 | S45-D49 VanDerWaalsContact O-CB 3.26Å; S45-D49 WeakPolarHBondContact O-CB 3.48Å; S45-D49 PolarHBondContact O-N 3.25Å; S45-D49 PolarHBondContact OG-OD2 3Å |
| 50 | T | 93.9 | Very high | 94.1 | Very high | 24 Ų | 24 | 68 Ų | 68 | 15% | 0.147 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -96.4 | -8.3 | -175.9 | 64.5 | 0 | 0 | 0 | 0 | 114.5 | Y46 D48 P52 Y53 G54 N55 | Y46-T50 HydrophobicContact CD2-CG2 3.8Å; Y46-T50 HydrophobicContact CE2-CG2 3.61Å; Y46-T50 HydrophobicContact CG-CG2 4.39Å; Y46-T50 VanDerWaalsContact O-CB 3.28Å; Y46-T50 WeakPolarHBondContact O-CB 3.23Å; Y46-T50 VanDerWaalsContact O-CG2 3.29Å; Y46-T50 WeakPolarHBondContact O-CG2 3.41Å; Y46-T50 PolarHBondContact O-N 3.17Å; Y46-T50 PolarHBondContact O-OG1 3Å; D48-T50 VanDerWaalsContact C-N 3.35Å; D48-T50 PolarHBondContact O-N 3.36Å; T50-P52 VanDerWaalsContact C-N 3.33Å; T50-Y53 PolarHBondContact O-N 3.36Å; T50-Y53 VanDerWaalsContact O-N 3.17Å; T50-G54 PolarHBondContact O-N 2.99Å; T50-N55 VanDerWaalsContact OG1-CB 3.25Å; T50-N55 WeakPolarHBondContact OG1-CB 3.31Å; T50-N55 PolarHBondContact OG1-ND2 3.49Å |
| 51 | A | 90.2 | Very high | 93.6 | Very high | 45 Ų | 45 | 69.8 Ų | 69.8 | 37% | 0.372 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -48.2 | -42.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | L47 | L47-A51 WeakPolarHBondContact O-CB 3.24Å; L47-A51 PolarHBondContact O-N 3.01Å |
| 52 | P | 89.2 | Confident | 93.2 | Very high | 65 Ų | 65 | 71.6 Ų | 71.6 | 42% | 0.422 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | -20 | -176.2 | 29.7 | -34.5 | 0 | 0 | 0 | 114.4 | T50 R62 | T50-P52 VanDerWaalsContact C-N 3.33Å; P52-R62 VanDerWaalsContact O-CD 3.22Å; P52-R62 WeakPolarHBondContact O-CD 3.17Å; P52-R62 WeakPolarHBondContact O-CG 3.49Å |
| 53 | Y | 90.6 | Very high | 92.9 | Very high | 144 Ų | 144 | 71.1 Ų | 71.1 | 57% | 0.565 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101 | -35.1 | -175.1 | -50.7 | -65.2 | 0 | 0 | 0 | 112.1 | T50 R62 Y63 | T50-Y53 PolarHBondContact O-N 3.36Å; T50-Y53 VanDerWaalsContact O-N 3.17Å; Y53-R62 CarbonylContact O-C 3.35Å; Y53-R62 WeakPolarHBondContact O-CB 3.41Å; Y53-Y63 VanDerWaalsContact O-CA 3.26Å; Y53-Y63 WeakPolarHBondContact O-CA 3.31Å; Y53-Y63 VanDerWaalsContact O-CB 3.31Å; Y53-Y63 WeakPolarHBondContact O-CB 3.38Å; Y53-Y63 PolarHBondContact O-N 2.92Å |
| 54 | G | 92.2 | Very high | 92.6 | Very high | 6 Ų | 6 | 75.7 Ų | 75.7 | 6% | 0.062 | 38% | 0.376 | C | S | . | . | trans | 121 | 155.2 | -169 | 0 | 0 | 0 | 0 | 0 | 110.6 | T50 G59 W60 | T50-G54 PolarHBondContact O-N 2.99Å; G54-G59 WeakPolarHBondContact CA-O 3.49Å; G54-W60 WeakPolarHBondContact O-CZ3 3.47Å | ||
| 55 | N | 94.1 | Very high | 92 | Very high | 2 Ų | 2 | 81.8 Ų | 81.8 | 1% | 0.011 | 40% | 0.404 | C | S | . | . | B | Isolated β-bridge | trans | -160 | 177.9 | -175.4 | 62.4 | 35.8 | 0 | 0 | 0 | 112.1 | Y46 T50 I57 K58 G59 | Y46-N55 HydrophobicContact CE1-CB 3.95Å; T50-N55 VanDerWaalsContact OG1-CB 3.25Å; T50-N55 WeakPolarHBondContact OG1-CB 3.31Å; T50-N55 PolarHBondContact OG1-ND2 3.49Å; N55-I57 PolarHBondContact O-N 2.79Å; N55-I57 VanDerWaalsContact O-N 3.14Å; N55-I57 WeakPolarHBondContact OD1-CB 3.49Å; N55-I57 PolarHBondContact OD1-N 3.39Å; N55-K58 PolarHBondContact O-N 3.5Å; N55-K58 PolarHBondContact OD1-N 2.68Å; N55-G59 PolarHBondContact N-O 2.67Å; N55-G59 CarbonylContact O-C 3.4Å; N55-G59 VanDerWaalsContact O-CA 3.31Å; N55-G59 WeakPolarHBondContact O-CA 3.47Å; N55-G59 PolarHBondContact O-N 2.55Å |
| 56 | I | 95.2 | Very high | 91.2 | Very high | 100 Ų | 100 | 82.7 Ų | 82.7 | 51% | 0.513 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | -20.8 | -177.5 | -165.4 | 149.7 | 0 | 0 | 0 | 114.4 | Y46 | Y46-I56 HydrophobicContact CE1-CG2 4.11Š|
| 57 | I | 93.4 | Very high | 89.9 | Confident | 56 Ų | 56 | 82.8 Ų | 82.8 | 29% | 0.287 | 42% | 0.423 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | -43.2 | -179.8 | -52.9 | -57.6 | 0 | 0 | 0 | 111.6 | L47 N55 D96 L98 | L47-I57 HydrophobicContact CD2-CG1 3.85Å; N55-I57 PolarHBondContact O-N 2.79Å; N55-I57 VanDerWaalsContact O-N 3.14Å; N55-I57 WeakPolarHBondContact OD1-CB 3.49Å; N55-I57 PolarHBondContact OD1-N 3.39Å; I57-D96 WeakPolarHBondContact CD1-O 3.36Å; I57-D96 WeakPolarHBondContact CG1-O 3.4Å; I57-D96 HydrophobicContact CG2-CB 4.17Å; I57-L98 HydrophobicContact CD1-CB 3.56Å; I57-L98 HydrophobicContact CD1-CD2 4.05Å; I57-L98 HydrophobicContact CD1-CG 4.44Å |
| 58 | K | 90.3 | Very high | 88.3 | Confident | 132 Ų | 132 | 85.2 Ų | 85.2 | 57% | 0.574 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99 | -11.8 | -174.1 | -65.6 | 179.3 | -178.8 | 170.5 | 0 | 113.7 | N55 | N55-K58 PolarHBondContact O-N 3.5Å; N55-K58 PolarHBondContact OD1-N 2.68Å |
| 59 | G | 92.6 | Very high | 86.5 | Confident | 26 Ų | 26 | 88.2 Ų | 88.2 | 27% | 0.268 | 46% | 0.457 | S | S | . | . | B | Isolated β-bridge | trans | 92 | 175.4 | -173 | 0 | 0 | 0 | 0 | 0 | 113.4 | G54 N55 | G54-G59 WeakPolarHBondContact CA-O 3.49Å; N55-G59 PolarHBondContact N-O 2.67Å; N55-G59 CarbonylContact O-C 3.4Å; N55-G59 VanDerWaalsContact O-CA 3.31Å; N55-G59 WeakPolarHBondContact O-CA 3.47Å; N55-G59 PolarHBondContact O-N 2.55Å |
| 60 | W | 94.4 | Very high | 84.6 | Confident | 134 Ų | 134 | 87.5 Ų | 87.5 | 51% | 0.508 | 46% | 0.46 | S | S | . | . | S | Bend | trans | -105.7 | 4.2 | -174.9 | -61.3 | 104.9 | 0 | 0 | 0 | 113.5 | G54 R62 Y63 L64 | G54-W60 WeakPolarHBondContact O-CZ3 3.47Å; W60-R62 PolarHBondContact O-N 3.21Å; W60-R62 VanDerWaalsContact O-N 3.16Å; W60-Y63 WeakPolarHBondContact O-CB 3.49Å; W60-Y63 PolarHBondContact O-N 2.99Å; W60-L64 WeakPolarHBondContact O-CG 3.35Å; W60-L64 PolarHBondContact O-N 3.21Å |
| 61 | D | 87.1 | Confident | 82.8 | Confident | 104 Ų | 104 | 93.4 Ų | 93.4 | 56% | 0.556 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -53.6 | -41.2 | -177.1 | -58.6 | -72.9 | 0 | 0 | 0 | 112.1 | Y63 L64 M65 | D61-Y63 VanDerWaalsContact C-N 3.35Å; D61-Y63 PolarHBondContact O-N 3.19Å; D61-L64 PolarHBondContact O-N 3.43Å; D61-M65 WeakPolarHBondContact O-CB 3.27Å; D61-M65 WeakPolarHBondContact O-CG 3.3Å; D61-M65 PolarHBondContact O-N 3.06Å |
| 62 | R | 87.9 | Confident | 81.1 | Confident | 161 Ų | 161 | 97.6 Ų | 97.6 | 61% | 0.608 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -65.9 | -35.2 | 178.3 | 177.5 | 158.7 | -91.5 | -104.8 | -1.4 | 113.1 | P52 Y53 W60 S66 | P52-R62 VanDerWaalsContact O-CD 3.22Å; P52-R62 WeakPolarHBondContact O-CD 3.17Å; P52-R62 WeakPolarHBondContact O-CG 3.49Å; Y53-R62 CarbonylContact O-C 3.35Å; Y53-R62 WeakPolarHBondContact O-CB 3.41Å; W60-R62 PolarHBondContact O-N 3.21Å; W60-R62 VanDerWaalsContact O-N 3.16Å; R62-S66 WeakPolarHBondContact O-CB 3.47Å; R62-S66 PolarHBondContact O-N 3.41Å |
| 63 | Y | 91.4 | Very high | 79.2 | Confident | 121 Ų | 121 | 101.8 Ų | 101.8 | 48% | 0.475 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -67.7 | -45.8 | 176.3 | 179.4 | -99.4 | 0 | 0 | 0 | 109.3 | Y53 W60 D61 M65 S66 S67 | Y53-Y63 VanDerWaalsContact O-CA 3.26Å; Y53-Y63 WeakPolarHBondContact O-CA 3.31Å; Y53-Y63 VanDerWaalsContact O-CB 3.31Å; Y53-Y63 WeakPolarHBondContact O-CB 3.38Å; Y53-Y63 PolarHBondContact O-N 2.92Å; W60-Y63 WeakPolarHBondContact O-CB 3.49Å; W60-Y63 PolarHBondContact O-N 2.99Å; D61-Y63 VanDerWaalsContact C-N 3.35Å; D61-Y63 PolarHBondContact O-N 3.19Å; Y63-M65 PolarHBondContact O-N 3.37Å; Y63-S66 PolarHBondContact O-N 3.27Å; Y63-S67 PolarHBondContact O-N 3.46Å; Y63-S67 PolarHBondContact O-OG 3.5Å |
| 64 | L | 88.6 | Confident | 77.3 | Confident | 107 Ų | 107 | 98 Ų | 98 | 56% | 0.56 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -59.9 | -45.8 | 176.4 | -62.4 | 176.7 | 0 | 0 | 0 | 111.8 | W60 D61 S66 S67 S68 | W60-L64 WeakPolarHBondContact O-CG 3.35Å; W60-L64 PolarHBondContact O-N 3.21Å; D61-L64 PolarHBondContact O-N 3.43Å; L64-S66 PolarHBondContact O-N 3.32Å; L64-S67 PolarHBondContact O-N 3.34Å; L64-S68 WeakPolarHBondContact O-CB 3.25Å; L64-S68 PolarHBondContact O-N 3.14Å; L64-S68 PolarHBondContact O-OG 2.83Å; L64-S68 VanDerWaalsContact O-OG 3.06Å |
| 65 | M | 83.7 | Confident | 75.1 | Confident | 136 Ų | 136 | 104.6 Ų | 104.6 | 67% | 0.67 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -63.6 | -37.6 | 176.8 | -69.2 | 170.6 | 79.4 | 0 | 0 | 112.9 | D61 Y63 S67 S68 | D61-M65 WeakPolarHBondContact O-CB 3.27Å; D61-M65 WeakPolarHBondContact O-CG 3.3Å; D61-M65 PolarHBondContact O-N 3.06Å; Y63-M65 PolarHBondContact O-N 3.37Å; M65-S67 VanDerWaalsContact C-N 3.35Å; M65-S68 PolarHBondContact O-N 3.43Å; M65-S68 PolarHBondContact O-OG 3.08Å |
| 66 | S | 78.2 | Confident | 73.2 | Confident | 83 Ų | 83 | 110 Ų | 110 | 58% | 0.58 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -73 | -28.3 | 178.3 | -171.2 | 0 | 0 | 0 | 0 | 112.6 | R62 Y63 L64 | R62-S66 WeakPolarHBondContact O-CB 3.47Å; R62-S66 PolarHBondContact O-N 3.41Å; Y63-S66 PolarHBondContact O-N 3.27Å; L64-S66 PolarHBondContact O-N 3.32Å |
| 67 | S | 70.4 | Confident | 71.1 | Confident | 83 Ų | 83 | 112.1 Ų | 112.1 | 58% | 0.58 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -81.4 | -26.1 | 174.2 | -69.9 | 0 | 0 | 0 | 0 | 112.7 | Y63 L64 M65 N69 | Y63-S67 PolarHBondContact O-N 3.46Å; Y63-S67 PolarHBondContact O-OG 3.5Å; L64-S67 PolarHBondContact O-N 3.34Å; M65-S67 VanDerWaalsContact C-N 3.35Å; S67-N69 PolarHBondContact O-N 3.37Å |
| 68 | S | 62.2 | Low | 69.5 | Low | 65 Ų | 65 | 116.5 Ų | 116.5 | 46% | 0.455 | 65% | 0.648 | S | S | . | * | trans | -97.7 | 53.9 | -177.2 | 72.4 | 0 | 0 | 0 | 0 | 113.3 | L64 M65 S70 | L64-S68 WeakPolarHBondContact O-CB 3.25Å; L64-S68 PolarHBondContact O-N 3.14Å; L64-S68 PolarHBondContact O-OG 2.83Å; L64-S68 VanDerWaalsContact O-OG 3.06Å; M65-S68 PolarHBondContact O-N 3.43Å; M65-S68 PolarHBondContact O-OG 3.08Å; S68-S70 PolarHBondContact O-N 3Å | ||
| 69 | N | 56.8 | Low | 67.7 | Low | 154 Ų | 154 | 114.1 Ų | 114.1 | 82% | 0.824 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -64.3 | 14.2 | 172.9 | -100.4 | -22.1 | 0 | 0 | 0 | 114.5 | S67 | S67-N69 PolarHBondContact O-N 3.37Š|
| 70 | S | 54.8 | Low | 66 | Low | 90 Ų | 90 | 122 Ų | 122 | 63% | 0.629 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -162.6 | 141.8 | 171.8 | -154.7 | 0 | 0 | 0 | 0 | 109.2 | S68 | S68-S70 PolarHBondContact O-N 3Š|
| 71 | L | 56.3 | Low | 64.1 | Low | 147 Ų | 147 | 118.8 Ų | 118.8 | 77% | 0.77 | 67% | 0.673 | S | S | * | * | S | Bend | trans | 84.7 | 117.8 | 173.5 | -88.5 | 65.6 | 0 | 0 | 0 | 117.1 | ||
| 72 | V | 54.3 | Low | 62.5 | Low | 134 Ų | 134 | 124.8 Ų | 124.8 | 81% | 0.812 | 69% | 0.688 | S | S | * | * | trans | 72.4 | 76.6 | 160.3 | -96.5 | 0 | 0 | 0 | 0 | 118.6 | G74 | V72-G74 PolarHBondContact O-N 2.82Å; V72-G74 VanDerWaalsContact O-N 3.15Å | ||
| 73 | T | 49 | Very low | 60.9 | Low | 152 Ų | 152 | 122.8 Ų | 122.8 | 93% | 0.933 | 69% | 0.689 | S | S | * | * | -30.7 | 109.9 | 128.2 | -63.3 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 74 | G | 49.7 | Very low | 59.1 | Low | 66 Ų | 66 | 122.9 Ų | 122.9 | 68% | 0.68 | 70% | 0.702 | S | S | * | * | trans | 173.3 | 90.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114 | V72 | V72-G74 PolarHBondContact O-N 2.82Å; V72-G74 VanDerWaalsContact O-N 3.15Å | ||
| 75 | N | 47.7 | Very low | 57.2 | Low | 143 Ų | 143 | 120.8 Ų | 120.8 | 77% | 0.765 | 71% | 0.706 | S | S | * | * | trans | 85.5 | 63.3 | 154.7 | -138.1 | 28.6 | 0 | 0 | 0 | 119.1 | N77 | N75-N77 PolarHBondContact O-N 3.14Š| ||
| 76 | S | 54.1 | Low | 55.5 | Low | 116 Ų | 116 | 117 Ų | 117 | 81% | 0.811 | 69% | 0.688 | S | S | * | * | trans | -90.4 | 70.9 | 166.4 | 64.1 | 0 | 0 | 0 | 0 | 112 | ||||
| 77 | N | 51 | Low | 54.3 | Low | 144 Ų | 144 | 122.8 Ų | 122.8 | 77% | 0.77 | 70% | 0.703 | S | S | * | * | trans | -109.8 | 21.4 | 172.1 | -83.6 | -39.5 | 0 | 0 | 0 | 113.7 | N75 | N75-N77 PolarHBondContact O-N 3.14Š| ||
| 78 | L | 58.9 | Low | 53.5 | Low | 148 Ų | 148 | 127.4 Ų | 127.4 | 78% | 0.775 | 71% | 0.708 | S | S | * | * | trans | -108.5 | 44.4 | 171.3 | -74.9 | 151.3 | 0 | 0 | 0 | 111 | F80 | L78-F80 PolarHBondContact O-N 3.03Š| ||
| 79 | S | 53.4 | Low | 52.9 | Low | 82 Ų | 82 | 129.9 Ų | 129.9 | 57% | 0.573 | 73% | 0.733 | S | S | * | * | trans | -80.7 | 94 | 169.7 | 174.4 | 0 | 0 | 0 | 0 | 109.4 | S81 | S79-S81 PolarHBondContact O-N 3.38Å; S79-S81 VanDerWaalsContact OG-CB 3.27Å; S79-S81 WeakPolarHBondContact OG-CB 3.46Å; S79-S81 PolarHBondContact OG-N 3.45Å | ||
| 80 | F | 56.9 | Low | 53.2 | Low | 191 Ų | 191 | 128.6 Ų | 128.6 | 84% | 0.838 | 72% | 0.716 | S | S | * | * | trans | -76.9 | 17.9 | 158.5 | -80.7 | -80.8 | 0 | 0 | 0 | 112.1 | L78 R82 | L78-F80 PolarHBondContact O-N 3.03Å; F80-R82 PolarHBondContact O-N 3.32Å | ||
| 81 | S | 54.9 | Low | 54.5 | Low | 67 Ų | 67 | 132.8 Ų | 132.8 | 47% | 0.469 | 72% | 0.723 | S | S | . | * | trans | -73 | 75.7 | 171.4 | -169.3 | 0 | 0 | 0 | 0 | 110.6 | S79 N83 V84 | S79-S81 PolarHBondContact O-N 3.38Å; S79-S81 VanDerWaalsContact OG-CB 3.27Å; S79-S81 WeakPolarHBondContact OG-CB 3.46Å; S79-S81 PolarHBondContact OG-N 3.45Å; S81-N83 PolarHBondContact O-N 2.94Å; S81-V84 WeakPolarHBondContact OG-CG2 3.33Å | ||
| 82 | R | 52 | Low | 55.9 | Low | 230 Ų | 230 | 128 Ų | 128 | 87% | 0.868 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.6 | 80.3 | 146.7 | -74.7 | -172.3 | -74.3 | 173.4 | -5.1 | 106.5 | F80 | F80-R82 PolarHBondContact O-N 3.32Š|
| 83 | N | 54.7 | Low | 57.7 | Low | 119 Ų | 119 | 127.6 Ų | 127.6 | 64% | 0.636 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 169.9 | 27.4 | 157.5 | -79.6 | -32.2 | 0 | 0 | 0 | 113 | S81 G85 | S81-N83 PolarHBondContact O-N 2.94Å; N83-G85 PolarHBondContact O-N 3.49Å |
| 84 | V | 53.7 | Low | 59.7 | Low | 124 Ų | 124 | 125.5 Ų | 125.5 | 75% | 0.752 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.4 | 54.5 | 172.3 | -168.2 | 0 | 0 | 0 | 0 | 111.5 | S81 | S81-V84 WeakPolarHBondContact OG-CG2 3.33Š|
| 85 | G | 49.1 | Very low | 61.7 | Low | 62 Ų | 62 | 125 Ų | 125 | 64% | 0.639 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -148.8 | -3.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | N83 K87 | N83-G85 PolarHBondContact O-N 3.49Å; G85-K87 PolarHBondContact O-N 3.22Å |
| 86 | D | 48.1 | Very low | 63.9 | Low | 56 Ų | 56 | 119.8 Ų | 119.8 | 30% | 0.299 | 62% | 0.622 | S | S | . | * | trans | -97.1 | 79.6 | -171.1 | -154.8 | -19.4 | 0 | 0 | 0 | 113.1 | R88 R90 | D86-R88 PolarHBondContact O-N 2.93Å; D86-R90 IonicContact OD1-CZ 2.88Å; D86-R90 IonicContact OD1-NE 2.63Å; D86-R90 PolarHBondContact OD1-NE 3.45Å; D86-R90 IonicContact OD1-NH2 2.59Å; D86-R90 PolarHBondContact OD1-NH2 3Å; D86-R90 IonicContact OD2-CZ 2.75Å; D86-R90 IonicContact OD2-NE 2.91Å; D86-R90 PolarHBondContact OD2-NE 2.84Å; D86-R90 IonicContact OD2-NH1 3.29Å; D86-R90 PolarHBondContact OD2-NH1 3.33Å; D86-R90 IonicContact OD2-NH2 2.91Å; D86-R90 PolarHBondContact OD2-NH2 3.31Å | ||
| 87 | K | 53.6 | Low | 65.9 | Low | 206 Ų | 206 | 115 Ų | 115 | 90% | 0.896 | 59% | 0.586 | S | S | * | * | trans | -74.2 | 17.9 | -176.7 | -56.5 | -174.1 | -178.1 | -172.8 | 0 | 114.9 | G85 | G85-K87 PolarHBondContact O-N 3.22Š| ||
| 88 | R | 52.2 | Low | 68.1 | Low | 179 Ų | 179 | 112.7 Ų | 112.7 | 68% | 0.675 | 57% | 0.573 | S | S | * | * | S | Bend | trans | -100.9 | 132 | 168.3 | -65.5 | 173.5 | -176.4 | 156.3 | 0.7 | 105.7 | D86 R90 | D86-R88 PolarHBondContact O-N 2.93Å; R88-R90 HydrophobicContact CB-CG 3.39Å; R88-R90 VanDerWaalsContact O-CG 3.26Å; R88-R90 WeakPolarHBondContact O-CG 3.34Å; R88-R90 PolarHBondContact O-N 2.76Å |
| 89 | A | 49.8 | Very low | 69.9 | Low | 118 Ų | 118 | 110.7 Ų | 110.7 | 98% | 0.975 | 56% | 0.558 | S | S | * | * | trans | -64 | 68.1 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | K91 | A89-K91 PolarHBondContact O-N 3.25Š| ||
| 90 | R | 64.4 | Low | 71.9 | Confident | 127 Ų | 127 | 107.1 Ų | 107.1 | 48% | 0.479 | 53% | 0.533 | S | S | . | . | trans | -84 | 121.3 | -163.5 | -61 | -157.9 | -155.1 | 172.6 | 12.9 | 109.1 | D86 R88 | D86-R90 IonicContact OD1-CZ 2.88Å; D86-R90 IonicContact OD1-NE 2.63Å; D86-R90 PolarHBondContact OD1-NE 3.45Å; D86-R90 IonicContact OD1-NH2 2.59Å; D86-R90 PolarHBondContact OD1-NH2 3Å; D86-R90 IonicContact OD2-CZ 2.75Å; D86-R90 IonicContact OD2-NE 2.91Å; D86-R90 PolarHBondContact OD2-NE 2.84Å; D86-R90 IonicContact OD2-NH1 3.29Å; D86-R90 PolarHBondContact OD2-NH1 3.33Å; D86-R90 IonicContact OD2-NH2 2.91Å; D86-R90 PolarHBondContact OD2-NH2 3.31Å; R88-R90 HydrophobicContact CB-CG 3.39Å; R88-R90 VanDerWaalsContact O-CG 3.26Å; R88-R90 WeakPolarHBondContact O-CG 3.34Å; R88-R90 PolarHBondContact O-N 2.76Å | ||
| 91 | K | 80.3 | Confident | 73.7 | Confident | 177 Ų | 177 | 105.9 Ų | 105.9 | 77% | 0.77 | 52% | 0.523 | S | S | * | . | trans | -23.7 | 136.6 | 153.9 | -57.2 | 167.7 | 76.2 | -93.7 | 0 | 110.3 | A89 | A89-K91 PolarHBondContact O-N 3.25Š| ||
| 92 | F | 87 | Confident | 75.7 | Confident | 46 Ų | 46 | 107.4 Ų | 107.4 | 20% | 0.202 | 53% | 0.533 | C | S | . | . | trans | -52 | 149.3 | 178.2 | 66.1 | -97.2 | 0 | 0 | 0 | 110.6 | L47 D48 R97 | L47-F92 HydrophobicContact CB-CB 3.93Å; L47-F92 HydrophobicContact CB-CD1 3.85Å; L47-F92 HydrophobicContact CB-CG 3.85Å; L47-F92 HydrophobicContact CD1-CB 3.99Å; L47-F92 HydrophobicContact CD1-CD2 3.81Å; L47-F92 HydrophobicContact CD1-CG 3.85Å; D48-F92 VanDerWaalsContact OD1-CD1 3.24Å; D48-F92 WeakPolarHBondContact OD1-CD1 3.25Å; D48-F92 WeakPolarHBondContact OD2-CE1 3.29Å; F92-R97 VanDerWaalsContact CE2-CZ 3.48Å; F92-R97 VanDerWaalsContact CZ-NH2 3.28Å | ||
| 93 | R | 91 | Very high | 77.8 | Confident | 127 Ų | 127 | 97.9 Ų | 97.9 | 48% | 0.479 | 50% | 0.502 | S | S | . | . | trans | -92 | 152.9 | -179.9 | -57.4 | 174.9 | 85.8 | 145.4 | 0 | 108.7 | S95 D96 | R93-S95 VanDerWaalsContact CB-OG 3.25Å; R93-S95 WeakPolarHBondContact CB-OG 3.29Å; R93-S95 PolarHBondContact O-N 3.35Å; R93-S95 VanDerWaalsContact O-N 3.12Å; R93-D96 PolarHBondContact N-OD2 3.05Å; R93-D96 VanDerWaalsContact O-CB 3.3Å; R93-D96 WeakPolarHBondContact O-CB 3.23Å; R93-D96 PolarHBondContact O-N 3.26Å | ||
| 94 | D | 90.9 | Very high | 79.7 | Confident | 107 Ų | 107 | 99 Ų | 99 | 57% | 0.572 | 51% | 0.513 | S | S | * | . | G | 310 helix | trans | -61.4 | -22.3 | 171.9 | -64.7 | -47.3 | 0 | 0 | 0 | 112.5 | D96 R97 | D94-D96 PolarHBondContact O-N 2.83Å; D94-R97 WeakPolarHBondContact O-CB 3.28Å; D94-R97 PolarHBondContact O-N 2.96Å; D94-R97 IonicContact OD1-NE 3.39Å; D94-R97 PolarHBondContact OD1-NE 2.91Å |
| 95 | S | 93.1 | Very high | 81.6 | Confident | 56 Ų | 56 | 95.8 Ų | 95.8 | 39% | 0.392 | 49% | 0.494 | S | S | . | . | G | 310 helix | trans | -61.6 | -26 | 171.3 | 56.5 | 0 | 0 | 0 | 0 | 113.7 | R93 R97 R101 | R93-S95 VanDerWaalsContact CB-OG 3.25Å; R93-S95 WeakPolarHBondContact CB-OG 3.29Å; R93-S95 PolarHBondContact O-N 3.35Å; R93-S95 VanDerWaalsContact O-N 3.12Å; S95-R97 VanDerWaalsContact C-N 3.3Å; S95-R101 PolarHBondContact O-NH1 3.41Å |
| 96 | D | 94.1 | Very high | 83.6 | Confident | 34 Ų | 34 | 93.4 Ų | 93.4 | 18% | 0.182 | 47% | 0.467 | C | S | . | . | G | 310 helix | trans | -84.5 | -8.1 | -173.5 | -54.7 | -18.3 | 0 | 0 | 0 | 112 | L47 I57 R93 D94 L98 | L47-D96 HydrophobicContact CD1-CB 4.1Å; I57-D96 WeakPolarHBondContact CD1-O 3.36Å; I57-D96 WeakPolarHBondContact CG1-O 3.4Å; I57-D96 HydrophobicContact CG2-CB 4.17Å; R93-D96 PolarHBondContact N-OD2 3.05Å; R93-D96 VanDerWaalsContact O-CB 3.3Å; R93-D96 WeakPolarHBondContact O-CB 3.23Å; R93-D96 PolarHBondContact O-N 3.26Å; D94-D96 PolarHBondContact O-N 2.83Å; D96-L98 VanDerWaalsContact C-N 3.31Å; D96-L98 PolarHBondContact O-N 3.34Å |
| 97 | R | 95.5 | Very high | 85.5 | Confident | 16 Ų | 16 | 95.6 Ų | 95.6 | 6% | 0.06 | 48% | 0.482 | C | S | . | . | trans | -79.3 | 68.6 | -179.8 | -70 | -176.7 | 173.5 | -80 | 7.6 | 112.4 | Y40 E43 L47 F92 D94 S95 F99 S100 R101 | Y40-R97 PolarHBondContact O-NH1 3.12Å; E43-R97 VanDerWaalsContact OE1-C 3.31Å; E43-R97 WeakPolarHBondContact OE2-CB 3.11Å; E43-R97 WeakPolarHBondContact OE2-CG 3.17Å; E43-R97 IonicContact OE2-NH1 3.61Å; L47-R97 HydrophobicContact CD1-CG 4.27Å; F92-R97 VanDerWaalsContact CE2-CZ 3.48Å; F92-R97 VanDerWaalsContact CZ-NH2 3.28Å; D94-R97 WeakPolarHBondContact O-CB 3.28Å; D94-R97 PolarHBondContact O-N 2.96Å; D94-R97 IonicContact OD1-NE 3.39Å; D94-R97 PolarHBondContact OD1-NE 2.91Å; S95-R97 VanDerWaalsContact C-N 3.3Å; R97-F99 PolarHBondContact O-N 3.16Å; R97-S100 PolarHBondContact O-N 2.58Å; R97-R101 VanDerWaalsContact O-CB 3.27Å; R97-R101 WeakPolarHBondContact O-CB 3.17Å; R97-R101 WeakPolarHBondContact O-CG 3.45Å; R97-R101 PolarHBondContact O-N 2.83Å | ||
| 98 | L | 96.1 | Very high | 87 | Confident | 95 Ų | 95 | 89 Ų | 89 | 50% | 0.497 | 46% | 0.462 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -40.5 | -170.5 | -176.9 | 65.2 | 0 | 0 | 0 | 114.1 | E43 I57 D96 S102 | E43-L98 PolarHBondContact OE1-N 3.39Å; I57-L98 HydrophobicContact CD1-CB 3.56Å; I57-L98 HydrophobicContact CD1-CD2 4.05Å; I57-L98 HydrophobicContact CD1-CG 4.44Å; D96-L98 VanDerWaalsContact C-N 3.31Å; D96-L98 PolarHBondContact O-N 3.34Å; L98-S102 PolarHBondContact O-N 3.36Å; L98-S102 VanDerWaalsContact O-N 3.13Å |
| 99 | F | 96.6 | Very high | 88.4 | Confident | 105 Ų | 105 | 81.2 Ų | 81.2 | 46% | 0.461 | 44% | 0.435 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | -42.1 | -178.8 | -51 | -79.2 | 0 | 0 | 0 | 111.6 | I39 E43 R97 R101 S102 | I39-F99 HydrophobicContact CG2-CB 3.7Å; E43-F99 HydrophobicContact CG-CB 4.42Å; E43-F99 HydrophobicContact CG-CD2 4.08Å; E43-F99 WeakPolarHBondContact OE1-CA 3.24Å; E43-F99 WeakPolarHBondContact OE1-CB 3.35Å; E43-F99 WeakPolarHBondContact OE1-CD2 3.31Å; E43-F99 PolarHBondContact OE1-N 2.95Å; R97-F99 PolarHBondContact O-N 3.16Å; F99-R101 VanDerWaalsContact C-N 3.26Å; F99-R101 PolarHBondContact O-N 3.47Å; F99-S102 WeakPolarHBondContact O-CB 3.47Å; F99-S102 PolarHBondContact O-N 3.39Å; F99-S102 VanDerWaalsContact O-N 3.08Å; F99-S102 PolarHBondContact O-OG 3.27Å |
| 100 | S | 96.2 | Very high | 89.8 | Confident | 7 Ų | 7 | 78.6 Ų | 78.6 | 5% | 0.049 | 40% | 0.404 | C | S | . | . | G | 310 helix | trans | -59.8 | -42.1 | 172.8 | -64.4 | 0 | 0 | 0 | 0 | 110.6 | Y40 E43 R97 S102 S103 S106 | Y40-S100 WeakPolarHBondContact CA-OG 3.19Å; E43-S100 VanDerWaalsContact CD-OG 3.31Å; E43-S100 PolarHBondContact OE1-N 3.06Å; E43-S100 VanDerWaalsContact OE2-CB 3.24Å; E43-S100 WeakPolarHBondContact OE2-CB 3.37Å; E43-S100 PolarHBondContact OE2-OG 3.01Å; R97-S100 PolarHBondContact O-N 2.58Å; S100-S102 PolarHBondContact O-N 3.26Å; S100-S103 PolarHBondContact O-N 3.39Å; S100-S106 VanDerWaalsContact O-CB 3.23Å; S100-S106 WeakPolarHBondContact O-CB 3.4Å; S100-S106 PolarHBondContact O-OG 3.07Å |
| 101 | R | 95.7 | Very high | 90.3 | Very high | 165 Ų | 165 | 76.9 Ų | 76.9 | 62% | 0.623 | 41% | 0.405 | S | S | * | . | G | 310 helix | trans | -71.9 | -11 | 178.4 | -69.2 | -178.8 | 66.9 | -153.6 | -4.7 | 114.2 | S95 R97 F99 | S95-R101 PolarHBondContact O-NH1 3.41Å; R97-R101 VanDerWaalsContact O-CB 3.27Å; R97-R101 WeakPolarHBondContact O-CB 3.17Å; R97-R101 WeakPolarHBondContact O-CG 3.45Å; R97-R101 PolarHBondContact O-N 2.83Å; F99-R101 VanDerWaalsContact C-N 3.26Å; F99-R101 PolarHBondContact O-N 3.47Å |
| 102 | S | 96 | Very high | 89.6 | Confident | 99 Ų | 99 | 72.6 Ų | 72.6 | 69% | 0.692 | 39% | 0.39 | S | S | * | . | G | 310 helix | trans | -75.5 | -15 | 173.2 | 76.9 | 0 | 0 | 0 | 0 | 112.9 | L98 F99 S100 | L98-S102 PolarHBondContact O-N 3.36Å; L98-S102 VanDerWaalsContact O-N 3.13Å; F99-S102 WeakPolarHBondContact O-CB 3.47Å; F99-S102 PolarHBondContact O-N 3.39Å; F99-S102 VanDerWaalsContact O-N 3.08Å; F99-S102 PolarHBondContact O-OG 3.27Å; S100-S102 PolarHBondContact O-N 3.26Å |
| 103 | S | 95 | Very high | 88.1 | Confident | 31 Ų | 31 | 75.9 Ų | 75.9 | 22% | 0.217 | 41% | 0.406 | C | S | . | . | trans | -110.6 | 131.9 | 172.3 | -177.7 | 0 | 0 | 0 | 0 | 111.5 | E36 S100 T105 S106 | E36-S103 WeakPolarHBondContact OE1-CB 3.26Å; E36-S103 PolarHBondContact OE1-OG 3.26Å; S100-S103 PolarHBondContact O-N 3.39Å; S103-T105 VanDerWaalsContact C-N 3.26Å; S103-T105 PolarHBondContact O-N 2.9Å; S103-T105 PolarHBondContact OG-N 3.09Å; S103-T105 PolarHBondContact OG-OG1 3.14Å; S103-T105 VanDerWaalsContact OG-OG1 3.05Å; S103-S106 PolarHBondContact O-OG 3.35Å | ||
| 104 | V | 95.2 | Very high | 86.3 | Confident | 142 Ų | 142 | 76.3 Ų | 76.3 | 86% | 0.861 | 42% | 0.418 | S | S | * | . | S | Bend | trans | -71.6 | -21.4 | 174.6 | -63.1 | 0 | 0 | 0 | 0 | 112.6 | ||
| 105 | T | 93.5 | Very high | 84.5 | Confident | 57 Ų | 57 | 77.8 Ų | 77.8 | 35% | 0.35 | 42% | 0.421 | S | S | . | . | S | Bend | trans | -92.7 | -11.2 | -178.7 | 41.1 | 0 | 0 | 0 | 0 | 113.8 | E36 S103 V107 S108 S109 | E36-T105 WeakPolarHBondContact OE1-CB 3.48Å; E36-T105 PolarHBondContact OE1-OG1 3.24Å; S103-T105 VanDerWaalsContact C-N 3.26Å; S103-T105 PolarHBondContact O-N 2.9Å; S103-T105 PolarHBondContact OG-N 3.09Å; S103-T105 PolarHBondContact OG-OG1 3.14Å; S103-T105 VanDerWaalsContact OG-OG1 3.05Å; T105-V107 PolarHBondContact O-N 2.79Å; T105-S108 WeakPolarHBondContact O-CB 3.47Å; T105-S108 PolarHBondContact O-N 2.91Å; T105-S108 VanDerWaalsContact O-N 3.13Å; T105-S109 PolarHBondContact O-N 2.59Å; T105-S109 PolarHBondContact O-OG 2.63Å |
| 106 | S | 90.8 | Very high | 82.5 | Confident | 12 Ų | 12 | 81.1 Ų | 81.1 | 8% | 0.084 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -57.1 | -44.6 | -172.7 | 61.4 | 0 | 0 | 0 | 0 | 114.2 | E36 S100 S103 S109 L110 | E36-S106 PolarHBondContact OE1-N 2.95Å; S100-S106 VanDerWaalsContact O-CB 3.23Å; S100-S106 WeakPolarHBondContact O-CB 3.4Å; S100-S106 PolarHBondContact O-OG 3.07Å; S103-S106 PolarHBondContact O-OG 3.35Å; S106-S109 PolarHBondContact O-N 3.29Å; S106-L110 PolarHBondContact O-N 3.15Å |
| 107 | V | 88.4 | Confident | 80.3 | Confident | 101 Ų | 101 | 87.1 Ų | 87.1 | 61% | 0.612 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -67.5 | -39.3 | -179.5 | -179.6 | 0 | 0 | 0 | 0 | 111.1 | T105 L110 N111 | T105-V107 PolarHBondContact O-N 2.79Å; V107-L110 PolarHBondContact O-N 3.49Å; V107-N111 PolarHBondContact O-N 2.97Å |
| 108 | S | 85.7 | Confident | 77.6 | Confident | 68 Ų | 68 | 90.4 Ų | 90.4 | 48% | 0.476 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65.9 | -39.4 | 176.7 | -56.4 | 0 | 0 | 0 | 0 | 111.6 | T105 L110 N111 L112 | T105-S108 WeakPolarHBondContact O-CB 3.47Å; T105-S108 PolarHBondContact O-N 2.91Å; T105-S108 VanDerWaalsContact O-N 3.13Å; S108-L110 VanDerWaalsContact C-N 3.27Å; S108-L110 PolarHBondContact O-N 3.06Å; S108-N111 PolarHBondContact O-N 3.29Å; S108-L112 PolarHBondContact O-N 3.31Å |
| 109 | S | 80.6 | Confident | 75.1 | Confident | 15 Ų | 15 | 90.1 Ų | 90.1 | 11% | 0.105 | 51% | 0.512 | C | S | . | . | H | α-helix | trans | -66.1 | -25 | 179.5 | -69.2 | 0 | 0 | 0 | 0 | 114.2 | E36 R37 T105 S106 | E36-S109 WeakPolarHBondContact OE2-CB 3.34Å; E36-S109 PolarHBondContact OE2-OG 2.91Å; R37-S109 PolarHBondContact NH1-O 3.27Å; T105-S109 PolarHBondContact O-N 2.59Å; T105-S109 PolarHBondContact O-OG 2.63Å; S106-S109 PolarHBondContact O-N 3.29Å |
| 110 | L | 79 | Confident | 72.9 | Confident | 63 Ų | 63 | 90.7 Ų | 90.7 | 33% | 0.33 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -73.7 | -42.9 | 172.7 | -178.4 | 60.3 | 0 | 0 | 0 | 111.5 | Y40 S106 V107 S108 L112 | Y40-L110 HydrophobicContact CD1-CD1 4.48Å; Y40-L110 HydrophobicContact CD1-CD2 4.24Å; Y40-L110 HydrophobicContact CE1-CD2 3.81Å; Y40-L110 HydrophobicContact CE2-CD2 4.24Å; S106-L110 PolarHBondContact O-N 3.15Å; V107-L110 PolarHBondContact O-N 3.49Å; S108-L110 VanDerWaalsContact C-N 3.27Å; S108-L110 PolarHBondContact O-N 3.06Å; L110-L112 VanDerWaalsContact C-N 3.34Å; L110-L112 PolarHBondContact O-N 3.03Å |
| 111 | N | 75.9 | Confident | 70.9 | Confident | 92 Ų | 92 | 95.5 Ų | 95.5 | 49% | 0.492 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -71.2 | -31.3 | -178.1 | -64 | -16.1 | 0 | 0 | 0 | 112.3 | V107 S108 Q113 N114 | V107-N111 PolarHBondContact O-N 2.97Å; S108-N111 PolarHBondContact O-N 3.29Å; N111-Q113 PolarHBondContact O-N 3.38Å; N111-Q113 VanDerWaalsContact O-N 3.14Å; N111-N114 PolarHBondContact O-N 3.46Å; N111-N114 VanDerWaalsContact O-N 3.08Å |
| 112 | L | 64.4 | Low | 69.2 | Low | 87 Ų | 87 | 92.5 Ų | 92.5 | 46% | 0.455 | 56% | 0.557 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -61.8 | -22.3 | -177.3 | -119.4 | 67.2 | 0 | 0 | 0 | 113.9 | S108 L110 N116 | S108-L112 PolarHBondContact O-N 3.31Å; L110-L112 VanDerWaalsContact C-N 3.34Å; L110-L112 PolarHBondContact O-N 3.03Å; L112-N116 VanDerWaalsContact O-CG 3.23Å; L112-N116 PolarHBondContact O-ND2 3.47Å; L112-N116 PolarHBondContact O-OD1 2.87Å |
| 113 | Q | 56.6 | Low | 66.9 | Low | 114 Ų | 114 | 94.9 Ų | 94.9 | 53% | 0.533 | 56% | 0.562 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -74.8 | -23.5 | 176.2 | -79.2 | -162.9 | -36.1 | 0 | 0 | 113.8 | R37 N111 E115 | R37-Q113 VanDerWaalsContact CD-CD 3.47Å; N111-Q113 PolarHBondContact O-N 3.38Å; N111-Q113 VanDerWaalsContact O-N 3.14Å; Q113-E115 VanDerWaalsContact C-N 3.32Å |
| 114 | N | 52.6 | Low | 64.9 | Low | 136 Ų | 136 | 98.7 Ų | 98.7 | 73% | 0.727 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.3 | -16.2 | 179.9 | -69.1 | -20.5 | 0 | 0 | 0 | 113 | N111 | N111-N114 PolarHBondContact O-N 3.46Å; N111-N114 VanDerWaalsContact O-N 3.08Å |
| 115 | E | 53.8 | Low | 62.8 | Low | 138 Ų | 138 | 97.2 Ų | 97.2 | 65% | 0.645 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.7 | 7.4 | -171.4 | -61.9 | -67.3 | 135.8 | 0 | 0 | 113.9 | Q113 D117 S118 | Q113-E115 VanDerWaalsContact C-N 3.32Å; E115-D117 PolarHBondContact O-N 3Å; E115-S118 PolarHBondContact O-N 3.25Å |
| 116 | N | 51.4 | Low | 60.6 | Low | 126 Ų | 126 | 99.9 Ų | 99.9 | 67% | 0.674 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.9 | 18 | -174.4 | -73.8 | -45.8 | 0 | 0 | 0 | 115.9 | L112 | L112-N116 VanDerWaalsContact O-CG 3.23Å; L112-N116 PolarHBondContact O-ND2 3.47Å; L112-N116 PolarHBondContact O-OD1 2.87Å |
| 117 | D | 46.5 | Very low | 58.3 | Low | 161 Ų | 161 | 105.8 Ų | 105.8 | 86% | 0.861 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.4 | 5.8 | 168.8 | -158.2 | 29.7 | 0 | 0 | 0 | 113.4 | E115 | E115-D117 PolarHBondContact O-N 3Š|
| 118 | S | 40.5 | Very low | 56 | Low | 84 Ų | 84 | 107.2 Ų | 107.2 | 59% | 0.587 | 63% | 0.631 | S | S | * | * | S | Bend | trans | -122.4 | 103.5 | 174.4 | -69.1 | 0 | 0 | 0 | 0 | 110 | E115 V120 | E115-S118 PolarHBondContact O-N 3.25Å; S118-V120 PolarHBondContact O-N 3.45Å |
| 119 | G | 42.1 | Very low | 53.8 | Low | 90 Ų | 90 | 112.3 Ų | 112.3 | 93% | 0.928 | 65% | 0.647 | S | S | * | * | trans | -65.1 | 53.9 | -173.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 120 | V | 51.6 | Low | 51.9 | Low | 116 Ų | 116 | 118.5 Ų | 118.5 | 70% | 0.703 | 68% | 0.677 | S | S | * | * | trans | -111.7 | 118.9 | 175.2 | -169.3 | 0 | 0 | 0 | 0 | 108.3 | S118 | S118-V120 PolarHBondContact O-N 3.45Š| ||
| 121 | P | 53.6 | Low | 49.9 | Very low | 109 Ų | 109 | 119.8 Ų | 119.8 | 71% | 0.708 | 69% | 0.692 | S | S | * | * | trans | -61.7 | 132.9 | 174.8 | 26.6 | -32.3 | 0 | 0 | 0 | 108.6 | N123 | P121-N123 PolarHBondContact O-N 2.99Š| ||
| 122 | P | 60.3 | Low | 47.8 | Very low | 102 Ų | 102 | 117.7 Ų | 117.7 | 66% | 0.662 | 69% | 0.692 | S | S | * | * | trans | -66.1 | 104.7 | 174.8 | 25.1 | -29.5 | 0 | 0 | 0 | 107.7 | L124 | P122-L124 PolarHBondContact O-N 2.81Š| ||
| 123 | N | 47.7 | Very low | 46.8 | Very low | 148 Ų | 148 | 122.3 Ų | 122.3 | 79% | 0.791 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -47.4 | 125.6 | 160.9 | -169.3 | 1.5 | 0 | 0 | 0 | 107 | P121 | P121-N123 PolarHBondContact O-N 2.99Š|
| 124 | L | 52 | Low | 45.8 | Very low | 112 Ų | 112 | 125.1 Ų | 125.1 | 59% | 0.586 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -48.3 | 133.9 | 179.3 | -71.2 | 88.5 | 0 | 0 | 0 | 108.5 | P122 | P122-L124 PolarHBondContact O-N 2.81Š|
| 125 | P | 52.3 | Low | 45.5 | Very low | 111 Ų | 111 | 126 Ų | 126 | 72% | 0.721 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 139.2 | 167.8 | 28.3 | -31 | 0 | 0 | 0 | 106.9 | V127 | P125-V127 PolarHBondContact O-N 3.02Å; P125-V127 VanDerWaalsContact O-N 3.13Å |
| 126 | P | 47 | Very low | 45.5 | Very low | 112 Ų | 112 | 127.3 Ų | 127.3 | 73% | 0.727 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 125.9 | 176.7 | 23.5 | -30.6 | 0 | 0 | 0 | 108.2 | N128 | P126-N128 PolarHBondContact O-N 3.17Š|
| 127 | V | 43.2 | Very low | 45.4 | Very low | 136 Ų | 136 | 126.7 Ų | 126.7 | 82% | 0.824 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -57.6 | 89.3 | 155.4 | 168.6 | 0 | 0 | 0 | 0 | 105.5 | P125 | P125-V127 PolarHBondContact O-N 3.02Å; P125-V127 VanDerWaalsContact O-N 3.13Å |
| 128 | N | 38.5 | Very low | 45.5 | Very low | 132 Ų | 132 | 123.5 Ų | 123.5 | 71% | 0.706 | 72% | 0.721 | S | S | * | * | trans | 159.6 | 91.2 | 159.2 | -83.1 | -16.9 | 0 | 0 | 0 | 109.8 | P126 | P126-N128 PolarHBondContact O-N 3.17Š| ||
| 129 | Q | 39.9 | Very low | 46.2 | Very low | 174 Ų | 174 | 124.6 Ų | 124.6 | 81% | 0.813 | 73% | 0.726 | S | S | * | * | trans | -165.2 | 66.8 | 134.3 | -102.3 | 173.6 | 96.7 | 0 | 0 | 108.3 | S131 | Q129-S131 PolarHBondContact O-N 3.4Š| ||
| 130 | I | 41.9 | Very low | 46.5 | Very low | 145 Ų | 145 | 127.1 Ų | 127.1 | 74% | 0.744 | 72% | 0.719 | S | S | * | * | trans | -75.7 | 72.4 | 153.5 | -62.5 | 169.9 | 0 | 0 | 0 | 105.7 | Y134 | I130-Y134 HydrophobicContact CG2-CD1 4.18Å; I130-Y134 HydrophobicContact CG2-CE1 3.62Å | ||
| 131 | S | 35.9 | Very low | 46.3 | Very low | 91 Ų | 91 | 131.1 Ų | 131.1 | 64% | 0.636 | 73% | 0.727 | S | S | * | * | trans | -121.9 | 96.7 | 176.5 | -65 | 0 | 0 | 0 | 0 | 107.9 | Q129 | Q129-S131 PolarHBondContact O-N 3.4Š| ||
| 132 | G | 32.7 | Very low | 46.1 | Very low | 48 Ų | 48 | 130.8 Ų | 130.8 | 50% | 0.495 | 72% | 0.723 | S | S | . | * | S | Bend | trans | 78.1 | 110 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 133 | H | 42.4 | Very low | 45.5 | Very low | 184 Ų | 184 | 131 Ų | 131 | 85% | 0.852 | 73% | 0.726 | S | S | * | * | -157.4 | 82.4 | 55.7 | -68.8 | 74.4 | 0 | 0 | 0 | 110.1 | N135 | H133-N135 VanDerWaalsContact C-N 3.26Å; H133-N135 PolarHBondContact O-N 2.84Å | |||
| 134 | Y | 36.8 | Very low | 45.4 | Very low | 172 Ų | 172 | 129.6 Ų | 129.6 | 68% | 0.675 | 72% | 0.719 | S | S | * | * | trans | -93.3 | 63.6 | 162.9 | 32.9 | -86.7 | 0 | 0 | 0 | 108.6 | I130 | I130-Y134 HydrophobicContact CG2-CD1 4.18Å; I130-Y134 HydrophobicContact CG2-CE1 3.62Å | ||
| 135 | N | 45.6 | Very low | 44.8 | Very low | 155 Ų | 155 | 129.6 Ų | 129.6 | 83% | 0.829 | 73% | 0.728 | S | S | * | * | trans | -133.3 | 37.5 | 169.4 | -107.8 | 2.5 | 0 | 0 | 0 | 110.3 | H133 | H133-N135 VanDerWaalsContact C-N 3.26Å; H133-N135 PolarHBondContact O-N 2.84Å | ||
| 136 | Q | 52.8 | Low | 44.8 | Very low | 166 Ų | 166 | 133.7 Ų | 133.7 | 78% | 0.776 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -93.3 | 123.6 | 159.8 | -67.4 | -62.5 | -30.1 | 0 | 0 | 106.6 | S138 | Q136-S138 PolarHBondContact O-N 2.83Å; Q136-S138 VanDerWaalsContact O-N 3.14Å |
| 137 | P | 49.6 | Very low | 44.7 | Very low | 112 Ų | 112 | 134.5 Ų | 134.5 | 73% | 0.727 | 74% | 0.741 | S | S | * | * | trans | -57 | 125.9 | 174.5 | 24.1 | -30.4 | 0 | 0 | 0 | 107.2 | ||||
| 138 | S | 48.5 | Very low | 44.6 | Very low | 94 Ų | 94 | 131.6 Ų | 131.6 | 66% | 0.657 | 74% | 0.738 | S | S | * | * | trans | -41.9 | 136.7 | 168.3 | -58.2 | 0 | 0 | 0 | 0 | 108.6 | Q136 N140 | Q136-S138 PolarHBondContact O-N 2.83Å; Q136-S138 VanDerWaalsContact O-N 3.14Å; S138-N140 PolarHBondContact O-N 3.27Å | ||
| 139 | P | 55.2 | Low | 44.8 | Very low | 107 Ų | 107 | 133 Ų | 133 | 70% | 0.695 | 75% | 0.745 | S | S | * | * | trans | -58.6 | 114.2 | 166.8 | 25.4 | -28.7 | 0 | 0 | 0 | 105.3 | F141 | P139-F141 PolarHBondContact O-N 3.04Š| ||
| 140 | N | 49.1 | Very low | 45.2 | Very low | 143 Ų | 143 | 133.5 Ų | 133.5 | 77% | 0.765 | 75% | 0.748 | S | S | * | * | trans | -53.8 | 107.2 | 173.6 | -74.5 | -35.5 | 0 | 0 | 0 | 106.4 | S138 V142 | S138-N140 PolarHBondContact O-N 3.27Å; N140-V142 HydrophobicContact CB-CG2 3.92Å; N140-V142 PolarHBondContact O-N 2.65Å | ||
| 141 | F | 47.9 | Very low | 45 | Very low | 200 Ų | 200 | 136.3 Ų | 136.3 | 88% | 0.877 | 76% | 0.755 | S | S | * | * | trans | -67.4 | 81.2 | 160.1 | -83.6 | -88.8 | 0 | 0 | 0 | 105.6 | P139 S143 | P139-F141 PolarHBondContact O-N 3.04Å; F141-S143 VanDerWaalsContact C-N 3.31Å; F141-S143 PolarHBondContact O-N 3.43Å | ||
| 142 | V | 48.7 | Very low | 45.4 | Very low | 103 Ų | 103 | 136.5 Ų | 136.5 | 62% | 0.624 | 76% | 0.756 | S | S | * | * | trans | -72.1 | 100.6 | 166 | -174.2 | 0 | 0 | 0 | 0 | 105 | N140 N144 | N140-V142 HydrophobicContact CB-CG2 3.92Å; N140-V142 PolarHBondContact O-N 2.65Å; V142-N144 WeakPolarHBondContact CG1-OD1 3.22Å; V142-N144 PolarHBondContact O-N 2.83Å | ||
| 143 | S | 46.9 | Very low | 46.3 | Very low | 105 Ų | 105 | 142.2 Ų | 142.2 | 73% | 0.734 | 77% | 0.77 | S | S | * | * | trans | -58.4 | 89.2 | 160.6 | 55.6 | 0 | 0 | 0 | 0 | 107.7 | F141 S145 | F141-S143 VanDerWaalsContact C-N 3.31Å; F141-S143 PolarHBondContact O-N 3.43Å; S143-S145 PolarHBondContact O-N 3.4Å | ||
| 144 | N | 45.8 | Very low | 46.3 | Very low | 120 Ų | 120 | 141.8 Ų | 141.8 | 64% | 0.642 | 77% | 0.772 | S | S | * | * | trans | -72.3 | 93.1 | 165.2 | -84.3 | 0.9 | 0 | 0 | 0 | 107 | V142 F146 | V142-N144 WeakPolarHBondContact CG1-OD1 3.22Å; V142-N144 PolarHBondContact O-N 2.83Å; N144-F146 WeakPolarHBondContact O-CD2 3.26Å; N144-F146 PolarHBondContact O-N 3.49Å; N144-F146 VanDerWaalsContact O-N 3.1Å | ||
| 145 | S | 40.3 | Very low | 46.6 | Very low | 111 Ų | 111 | 136.4 Ų | 136.4 | 78% | 0.776 | 77% | 0.769 | S | S | * | * | trans | -51.7 | 109.7 | 155.9 | -71.6 | 0 | 0 | 0 | 0 | 107.7 | S143 P147 | S143-S145 PolarHBondContact O-N 3.4Å; S145-P147 WeakPolarHBondContact O-CD 3.26Å | ||
| 146 | F | 52.2 | Low | 47.1 | Very low | 198 Ų | 198 | 138.7 Ų | 138.7 | 87% | 0.868 | 77% | 0.772 | S | S | * | * | trans | -77.8 | 121 | 165.6 | -70.1 | -85.7 | 0 | 0 | 0 | 108.3 | N144 | N144-F146 WeakPolarHBondContact O-CD2 3.26Å; N144-F146 PolarHBondContact O-N 3.49Å; N144-F146 VanDerWaalsContact O-N 3.1Å | ||
| 147 | P | 44.3 | Very low | 46.8 | Very low | 129 Ų | 129 | 135.8 Ų | 135.8 | 84% | 0.838 | 77% | 0.769 | S | S | * | * | trans | -94.4 | 122.9 | 156.1 | 33.2 | -22.8 | 0 | 0 | 0 | 108.2 | S145 | S145-P147 WeakPolarHBondContact O-CD 3.26Š| ||
| 148 | G | 40.5 | Very low | 46.7 | Very low | 74 Ų | 74 | 140.9 Ų | 140.9 | 76% | 0.763 | 78% | 0.781 | S | S | * | * | trans | 121.5 | 97.1 | 161.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 149 | N | 44.1 | Very low | 47 | Very low | 161 Ų | 161 | 141.2 Ų | 141.2 | 86% | 0.861 | 78% | 0.783 | S | S | * | * | trans | -32.5 | 136.8 | 155.9 | -75.5 | -12.3 | 0 | 0 | 0 | 113.4 | ||||
| 150 | Q | 47.7 | Very low | 46.4 | Very low | 186 Ų | 186 | 139.9 Ų | 139.9 | 87% | 0.869 | 79% | 0.789 | S | S | * | * | -170.7 | 80.7 | 113.6 | -70.4 | -135.5 | 16.2 | 0 | 0 | 108.5 | |||||
| 151 | F | 37.2 | Very low | 46.3 | Very low | 204 Ų | 204 | 142.7 Ų | 142.7 | 90% | 0.895 | 80% | 0.795 | S | S | * | * | trans | -111 | 99.5 | 165.2 | -171.6 | -97.9 | 0 | 0 | 0 | 108.5 | ||||
| 152 | S | 44.7 | Very low | 46.6 | Very low | 94 Ų | 94 | 138.5 Ų | 138.5 | 66% | 0.657 | 79% | 0.79 | S | S | * | * | trans | -137.4 | 108.5 | 165.6 | 12.9 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 153 | Q | 51.5 | Low | 47.2 | Very low | 169 Ų | 169 | 141.2 Ų | 141.2 | 79% | 0.79 | 80% | 0.801 | S | S | * | * | trans | 69.9 | 108.4 | 149.8 | -46 | -156.9 | -3.2 | 0 | 0 | 117 | ||||
| 154 | I | 41.8 | Very low | 47.8 | Very low | 174 Ų | 174 | 141.9 Ų | 141.9 | 89% | 0.892 | 80% | 0.803 | S | S | * | * | -160.7 | 103.4 | 125.5 | -88.5 | 135.1 | 0 | 0 | 0 | 106.5 | |||||
| 155 | G | 44.4 | Very low | 48 | Very low | 60 Ų | 60 | 141.9 Ų | 141.9 | 62% | 0.619 | 81% | 0.812 | S | S | * | * | trans | -102.2 | 161.2 | 161 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 156 | K | 55.1 | Low | 48.9 | Very low | 203 Ų | 203 | 146.3 Ų | 146.3 | 88% | 0.883 | 82% | 0.821 | S | S | * | * | trans | 84.5 | 93.9 | 165.2 | -46.7 | 169.2 | -173.4 | -180 | 0 | 115.5 | ||||
| 157 | S | 46.1 | Very low | 49 | Very low | 104 Ų | 104 | 142.5 Ų | 142.5 | 73% | 0.727 | 82% | 0.819 | S | S | * | * | 166.2 | 111.9 | 117.8 | 58 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 158 | F | 48.1 | Very low | 49.2 | Very low | 219 Ų | 219 | 140 Ų | 140 | 96% | 0.961 | 82% | 0.816 | S | S | * | * | trans | -122.2 | 105.6 | 159.3 | -26.5 | -85.2 | 0 | 0 | 0 | 106.6 | ||||
| 159 | S | 54.5 | Low | 50.5 | Low | 102 Ų | 102 | 146.7 Ų | 146.7 | 71% | 0.713 | 82% | 0.824 | S | S | * | * | trans | -117 | 128.2 | 165.5 | 52.8 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 160 | G | 43.6 | Very low | 51.1 | Low | 79 Ų | 79 | 149.1 Ų | 149.1 | 81% | 0.814 | 83% | 0.827 | S | S | * | * | trans | -65.9 | 158.5 | -165.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 161 | F | 46.3 | Very low | 52.1 | Low | 202 Ų | 202 | 150.2 Ų | 150.2 | 89% | 0.886 | 83% | 0.829 | S | S | * | * | trans | -122.7 | 118 | 165.8 | -80.2 | -82 | 0 | 0 | 0 | 109.8 | ||||
| 162 | S | 55.4 | Low | 53.5 | Low | 111 Ų | 111 | 150.2 Ų | 150.2 | 78% | 0.776 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 133.2 | 165.5 | 49.5 | 0 | 0 | 0 | 0 | 110.7 | ||
| 163 | N | 60.7 | Low | 54.4 | Low | 161 Ų | 161 | 150.8 Ų | 150.8 | 86% | 0.861 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -85.9 | 135.2 | 172.5 | -86.7 | -20.6 | 0 | 0 | 0 | 111.8 | ||
| 164 | P | 60.2 | Low | 55.5 | Low | 119 Ų | 119 | 154.9 Ų | 154.9 | 77% | 0.773 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -93.3 | 140.5 | 163.7 | 32.8 | -27.5 | 0 | 0 | 0 | 112.5 | ||
| 165 | S | 49 | Very low | 56.8 | Low | 119 Ų | 119 | 155.7 Ų | 155.7 | 83% | 0.832 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 136.5 | 177.4 | 49.7 | 0 | 0 | 0 | 0 | 114.6 | ||
| 166 | Q | 59.3 | Low | 57.9 | Low | 204 Ų | 204 | 168.2 Ų | 168.2 | 95% | 0.953 | 87% | 0.869 | S | S | * | * | P | Polyproline II helix | trans | -87.4 | 122.1 | 168.7 | -78.2 | -171.9 | -2.1 | 0 | 0 | 111.8 | ||
| 167 | S | 55.3 | Low | 58 | Low | 119 Ų | 119 | 166.5 Ų | 166.5 | 83% | 0.832 | 87% | 0.869 | S | S | * | * | P | Polyproline II helix | trans | -90.4 | 146.1 | 167.3 | 60.2 | 0 | 0 | 0 | 0 | 111.3 | ||
| 168 | G | 48.1 | Very low | 58.6 | Low | 75 Ų | 75 | 169.7 Ų | 169.7 | 77% | 0.773 | 88% | 0.876 | S | S | * | * | P | Polyproline II helix | trans | -78.1 | 170.9 | -166 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||
| 169 | K | 66.8 | Low | 59.2 | Low | 215 Ų | 215 | 167 Ų | 167 | 94% | 0.935 | 87% | 0.871 | S | S | * | * | trans | -133 | 120.3 | 163 | -72.7 | -168.1 | 177.2 | 176.9 | 0 | 111.1 | ||||
| 170 | K | 57.4 | Low | 59.5 | Low | 213 Ų | 213 | 170.8 Ų | 170.8 | 93% | 0.926 | 88% | 0.881 | S | S | * | * | trans | -74.9 | 141.6 | 165.4 | -74.4 | 177.6 | 172.2 | 178.3 | 0 | 110.6 | ||||
| 171 | K | 68.2 | Low | 60.5 | Low | 208 Ų | 208 | 176.6 Ų | 176.6 | 90% | 0.904 | 89% | 0.885 | S | S | * | * | trans | -132.2 | 104.4 | 157.1 | -90.1 | -177.1 | 172.3 | 178.4 | 0 | 106.1 | ||||
| 172 | K | 67.5 | Low | 61.4 | Low | 205 Ų | 205 | 174.9 Ų | 174.9 | 89% | 0.891 | 89% | 0.885 | S | S | * | * | 71.2 | 117 | 86.9 | -158.5 | 170.5 | -174.2 | 176 | 0 | 113.9 | |||||
| 173 | S | 62.9 | Low | 61.8 | Low | 106 Ų | 106 | 179.4 Ų | 179.4 | 74% | 0.741 | 89% | 0.892 | S | S | * | * | trans | -69.1 | 158 | -178.3 | 54 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 174 | R | 73.8 | Confident | 61.9 | Low | 254 Ų | 254 | 180.8 Ų | 180.8 | 96% | 0.958 | 90% | 0.895 | S | S | * | * | trans | -126.9 | 130 | 154 | -77 | -179.4 | 92.7 | 175.8 | 6.5 | 108.5 | ||||
| 175 | Q | 71.1 | Confident | 62.1 | Low | 192 Ų | 192 | 186 Ų | 186 | 90% | 0.897 | 91% | 0.905 | S | S | * | * | trans | -111.8 | 129.6 | 172 | -164 | 171.6 | 8.2 | 0 | 0 | 105.9 | ||||
| 176 | R | 65.6 | Low | 63.3 | Low | 322 Ų | 322 | 192.1 Ų | 192.1 | 100% | 1.215 | 91% | 0.912 | S | S | * | * | trans | -152.7 | 0 | 158.1 | -110.3 | -166.2 | 172.7 | -149.5 | -3 | 107.1 |
Retrieved 176 of 176 residues in 63.2 ms
(Link to these results)